----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:54:49]------------------------- Compiled with OpenMP support (max 48 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: Pnnm (58) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.785524420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.980910650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): *1 B 0.03496530643324 0.23976591224852 0.50000000000000 10.811 2 B 0.46503469356676 0.73976591224852 0.00000000000000 10.811 3 B 0.96503469356676 0.76023408775148 0.50000000000000 10.811 4 B 0.53496530643324 0.26023408775148 0.00000000000000 10.811 *5 O 0.31958017202494 0.78355465555731 0.86901172958915 15.999 6 O 0.81958017202494 0.71644534444269 0.63098827041085 15.999 7 O 0.31958017202494 0.78355465555731 0.13098827041085 15.999 8 O 0.68041982797506 0.21644534444269 0.13098827041085 15.999 9 O 0.81958017202494 0.71644534444269 0.36901172958915 15.999 10 O 0.18041982797506 0.28355465555731 0.36901172958915 15.999 *11 O 0.74244112364853 0.67636775458162 0.00000000000000 15.999 12 O 0.24244112364853 0.82363224541838 0.50000000000000 15.999 13 O 0.75755887635147 0.17636775458162 0.50000000000000 15.999 14 O 0.25755887635147 0.32363224541838 0.00000000000000 15.999 15 O 0.68041982797506 0.21644534444269 0.86901172958915 15.999 16 O 0.18041982797506 0.28355465555731 0.63098827041085 15.999 *17 Cd 0.00000000000000 0.50000000000000 0.18869251196351 112.411 18 Cd 0.50000000000000 0.00000000000000 0.31130748803649 112.411 19 Cd 0.00000000000000 0.50000000000000 0.81130748803649 112.411 20 Cd 0.50000000000000 0.00000000000000 0.68869251196351 112.411 *21 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 22 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.785524420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.980910650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): *1 B 0.03496530643324 0.23976591224852 0.50000000000000 10.811 > 1 2 B 0.46503469356676 0.73976591224852 0.00000000000000 10.811 > 2 3 B 0.96503469356676 0.76023408775148 0.50000000000000 10.811 > 3 4 B 0.53496530643324 0.26023408775148 0.00000000000000 10.811 > 4 *5 O 0.31958017202494 0.78355465555731 0.86901172958915 15.999 > 5 6 O 0.81958017202494 0.71644534444269 0.63098827041085 15.999 > 6 7 O 0.31958017202494 0.78355465555731 0.13098827041085 15.999 > 7 8 O 0.68041982797506 0.21644534444269 0.13098827041085 15.999 > 8 9 O 0.81958017202494 0.71644534444269 0.36901172958915 15.999 > 9 10 O 0.18041982797506 0.28355465555731 0.36901172958915 15.999 > 10 *11 O 0.74244112364853 0.67636775458162 0.00000000000000 15.999 > 11 12 O 0.24244112364853 0.82363224541838 0.50000000000000 15.999 > 12 13 O 0.75755887635147 0.17636775458162 0.50000000000000 15.999 > 13 14 O 0.25755887635147 0.32363224541838 0.00000000000000 15.999 > 14 15 O 0.68041982797506 0.21644534444269 0.86901172958915 15.999 > 15 16 O 0.18041982797506 0.28355465555731 0.63098827041085 15.999 > 16 *17 Cd 0.00000000000000 0.50000000000000 0.18869251196351 112.411 > 17 18 Cd 0.50000000000000 0.00000000000000 0.31130748803649 112.411 > 18 19 Cd 0.00000000000000 0.50000000000000 0.81130748803649 112.411 > 19 20 Cd 0.50000000000000 0.00000000000000 0.68869251196351 112.411 > 20 *21 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 21 22 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.571048840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961821300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): *1 B 0.01748265321662 0.11988295612426 0.50000000000000 10.811 > 1 2 B 0.51748265321662 0.11988295612426 0.50000000000000 10.811 > 1 3 B 0.01748265321662 0.61988295612426 0.50000000000000 10.811 > 1 4 B 0.51748265321662 0.61988295612426 0.50000000000000 10.811 > 1 5 B 0.23251734678338 0.36988295612426 0.00000000000000 10.811 > 2 6 B 0.73251734678338 0.36988295612426 0.00000000000000 10.811 > 2 7 B 0.23251734678338 0.86988295612426 0.00000000000000 10.811 > 2 8 B 0.73251734678338 0.86988295612426 0.00000000000000 10.811 > 2 9 B 0.48251734678338 0.38011704387574 0.50000000000000 10.811 > 3 10 B 0.98251734678338 0.38011704387574 0.50000000000000 10.811 > 3 11 B 0.48251734678338 0.88011704387574 0.50000000000000 10.811 > 3 12 B 0.98251734678338 0.88011704387574 0.50000000000000 10.811 > 3 13 B 0.26748265321662 0.13011704387574 0.00000000000000 10.811 > 4 14 B 0.76748265321662 0.13011704387574 0.00000000000000 10.811 > 4 15 B 0.26748265321662 0.63011704387574 0.00000000000000 10.811 > 4 16 B 0.76748265321662 0.63011704387574 0.00000000000000 10.811 > 4 *17 O 0.15979008601247 0.39177732777866 0.86901172958915 15.999 > 5 18 O 0.65979008601247 0.39177732777866 0.86901172958915 15.999 > 5 19 O 0.15979008601247 0.89177732777866 0.86901172958915 15.999 > 5 20 O 0.65979008601247 0.89177732777866 0.86901172958915 15.999 > 5 21 O 0.40979008601247 0.35822267222134 0.63098827041085 15.999 > 6 22 O 0.90979008601247 0.35822267222134 0.63098827041085 15.999 > 6 23 O 0.40979008601247 0.85822267222134 0.63098827041085 15.999 > 6 24 O 0.90979008601247 0.85822267222134 0.63098827041085 15.999 > 6 25 O 0.15979008601247 0.39177732777866 0.13098827041085 15.999 > 7 26 O 0.65979008601247 0.39177732777866 0.13098827041085 15.999 > 7 27 O 0.15979008601247 0.89177732777866 0.13098827041085 15.999 > 7 28 O 0.65979008601247 0.89177732777866 0.13098827041085 15.999 > 7 29 O 0.34020991398753 0.10822267222134 0.13098827041085 15.999 > 8 30 O 0.84020991398753 0.10822267222134 0.13098827041085 15.999 > 8 31 O 0.34020991398753 0.60822267222134 0.13098827041085 15.999 > 8 32 O 0.84020991398753 0.60822267222134 0.13098827041085 15.999 > 8 33 O 0.40979008601247 0.35822267222134 0.36901172958915 15.999 > 9 34 O 0.90979008601247 0.35822267222134 0.36901172958915 15.999 > 9 35 O 0.40979008601247 0.85822267222134 0.36901172958915 15.999 > 9 36 O 0.90979008601247 0.85822267222134 0.36901172958915 15.999 > 9 37 O 0.09020991398753 0.14177732777866 0.36901172958915 15.999 > 10 38 O 0.59020991398753 0.14177732777866 0.36901172958915 15.999 > 10 39 O 0.09020991398753 0.64177732777866 0.36901172958915 15.999 > 10 40 O 0.59020991398753 0.64177732777866 0.36901172958915 15.999 > 10 *41 O 0.37122056182427 0.33818387729081 0.00000000000000 15.999 > 11 42 O 0.87122056182427 0.33818387729081 0.00000000000000 15.999 > 11 43 O 0.37122056182427 0.83818387729081 0.00000000000000 15.999 > 11 44 O 0.87122056182427 0.83818387729081 0.00000000000000 15.999 > 11 45 O 0.12122056182427 0.41181612270919 0.50000000000000 15.999 > 12 46 O 0.62122056182427 0.41181612270919 0.50000000000000 15.999 > 12 47 O 0.12122056182427 0.91181612270919 0.50000000000000 15.999 > 12 48 O 0.62122056182427 0.91181612270919 0.50000000000000 15.999 > 12 49 O 0.37877943817573 0.08818387729081 0.50000000000000 15.999 > 13 50 O 0.87877943817573 0.08818387729081 0.50000000000000 15.999 > 13 51 O 0.37877943817573 0.58818387729081 0.50000000000000 15.999 > 13 52 O 0.87877943817573 0.58818387729081 0.50000000000000 15.999 > 13 53 O 0.12877943817573 0.16181612270919 0.00000000000000 15.999 > 14 54 O 0.62877943817573 0.16181612270919 0.00000000000000 15.999 > 14 55 O 0.12877943817573 0.66181612270919 0.00000000000000 15.999 > 14 56 O 0.62877943817573 0.66181612270919 0.00000000000000 15.999 > 14 57 O 0.34020991398753 0.10822267222134 0.86901172958915 15.999 > 15 58 O 0.84020991398753 0.10822267222134 0.86901172958915 15.999 > 15 59 O 0.34020991398753 0.60822267222134 0.86901172958915 15.999 > 15 60 O 0.84020991398753 0.60822267222134 0.86901172958915 15.999 > 15 61 O 0.09020991398753 0.14177732777866 0.63098827041085 15.999 > 16 62 O 0.59020991398753 0.14177732777866 0.63098827041085 15.999 > 16 63 O 0.09020991398753 0.64177732777866 0.63098827041085 15.999 > 16 64 O 0.59020991398753 0.64177732777866 0.63098827041085 15.999 > 16 *65 Cd 0.00000000000000 0.25000000000000 0.18869251196351 112.411 > 17 66 Cd 0.50000000000000 0.25000000000000 0.18869251196351 112.411 > 17 67 Cd 0.00000000000000 0.75000000000000 0.18869251196351 112.411 > 17 68 Cd 0.50000000000000 0.75000000000000 0.18869251196351 112.411 > 17 69 Cd 0.25000000000000 0.00000000000000 0.31130748803649 112.411 > 18 70 Cd 0.75000000000000 0.00000000000000 0.31130748803649 112.411 > 18 71 Cd 0.25000000000000 0.50000000000000 0.31130748803649 112.411 > 18 72 Cd 0.75000000000000 0.50000000000000 0.31130748803649 112.411 > 18 73 Cd 0.00000000000000 0.25000000000000 0.81130748803649 112.411 > 19 74 Cd 0.50000000000000 0.25000000000000 0.81130748803649 112.411 > 19 75 Cd 0.00000000000000 0.75000000000000 0.81130748803649 112.411 > 19 76 Cd 0.50000000000000 0.75000000000000 0.81130748803649 112.411 > 19 77 Cd 0.25000000000000 0.00000000000000 0.68869251196351 112.411 > 20 78 Cd 0.75000000000000 0.00000000000000 0.68869251196351 112.411 > 20 79 Cd 0.25000000000000 0.50000000000000 0.68869251196351 112.411 > 20 80 Cd 0.75000000000000 0.50000000000000 0.68869251196351 112.411 > 20 *81 Cd 0.25000000000000 0.25000000000000 0.50000000000000 112.411 > 21 82 Cd 0.75000000000000 0.25000000000000 0.50000000000000 112.411 > 21 83 Cd 0.25000000000000 0.75000000000000 0.50000000000000 112.411 > 21 84 Cd 0.75000000000000 0.75000000000000 0.50000000000000 112.411 > 21 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 22 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 22 87 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 22 88 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9406841 0.0000000 0.0000000 0.0000000 3.7468634 0.0000000 0.0000000 0.0000000 3.8478605 -------------------------- Born effective charges -------------------------- 1 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 2 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 3 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 4 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 5 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 6 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 7 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 8 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 9 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 10 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 11 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 12 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 13 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 14 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 15 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 16 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 17 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 18 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 19 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 20 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 21 Cd 2.5979342 0.1251226 0.0000000 0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 22 Cd 2.5979342 -0.1251226 0.0000000 -0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1187 Number of blocks in projector: 1187 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: 298 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1187, 1158), data: False |-- (171, 166), data: True |-- (171, 166), data: True |-- (171, 166), data: True |-- (188, 186), data: True |-- (188, 186), data: True |-- (298, 288), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 0.200 Solver_block: 200 / 400 - Time: 0.205 Solver_block: 300 / 400 - Time: 0.204 Solver_block: 400 / 400 - Time: 0.203 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.829 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1187 Number of blocks in projector: 1187 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: 298 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 171 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 171 Use standard eigh solver. Tree of FC basis block matrices: - (1187, 1158), data: False |-- (171, 166), data: True |-- (171, 166), data: True |-- (171, 166), data: True |-- (188, 186), data: True |-- (188, 186), data: True |-- (298, 288), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:55:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:55:03]------------------------- Compiled with OpenMP support (max 48 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: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.785524420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.980910650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): 1 B 0.03496530643324 0.23976591224852 0.50000000000000 10.811 2 B 0.46503469356676 0.73976591224852 0.00000000000000 10.811 3 B 0.96503469356676 0.76023408775148 0.50000000000000 10.811 4 B 0.53496530643324 0.26023408775148 0.00000000000000 10.811 5 O 0.31958017202494 0.78355465555731 0.86901172958915 15.999 6 O 0.81958017202494 0.71644534444269 0.63098827041085 15.999 7 O 0.31958017202494 0.78355465555731 0.13098827041085 15.999 8 O 0.68041982797506 0.21644534444269 0.13098827041085 15.999 9 O 0.81958017202494 0.71644534444269 0.36901172958915 15.999 10 O 0.18041982797506 0.28355465555731 0.36901172958915 15.999 11 O 0.74244112364853 0.67636775458162 0.00000000000000 15.999 12 O 0.24244112364853 0.82363224541838 0.50000000000000 15.999 13 O 0.75755887635147 0.17636775458162 0.50000000000000 15.999 14 O 0.25755887635147 0.32363224541838 0.00000000000000 15.999 15 O 0.68041982797506 0.21644534444269 0.86901172958915 15.999 16 O 0.18041982797506 0.28355465555731 0.63098827041085 15.999 17 Cd 0.00000000000000 0.50000000000000 0.18869251196351 112.411 18 Cd 0.50000000000000 0.00000000000000 0.31130748803649 112.411 19 Cd 0.00000000000000 0.50000000000000 0.81130748803649 112.411 20 Cd 0.50000000000000 0.00000000000000 0.68869251196351 112.411 21 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 22 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.571048840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961821300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): 1 B 0.01748265321662 0.11988295612426 0.50000000000000 10.811 > 1 2 B 0.51748265321662 0.11988295612426 0.50000000000000 10.811 > 1 3 B 0.01748265321662 0.61988295612426 0.50000000000000 10.811 > 1 4 B 0.51748265321662 0.61988295612426 0.50000000000000 10.811 > 1 5 B 0.23251734678338 0.36988295612426 0.00000000000000 10.811 > 5 6 B 0.73251734678338 0.36988295612426 0.00000000000000 10.811 > 5 7 B 0.23251734678338 0.86988295612426 0.00000000000000 10.811 > 5 8 B 0.73251734678338 0.86988295612426 0.00000000000000 10.811 > 5 9 B 0.48251734678338 0.38011704387574 0.50000000000000 10.811 > 9 10 B 0.98251734678338 0.38011704387574 0.50000000000000 10.811 > 9 11 B 0.48251734678338 0.88011704387574 0.50000000000000 10.811 > 9 12 B 0.98251734678338 0.88011704387574 0.50000000000000 10.811 > 9 13 B 0.26748265321662 0.13011704387574 0.00000000000000 10.811 > 13 14 B 0.76748265321662 0.13011704387574 0.00000000000000 10.811 > 13 15 B 0.26748265321662 0.63011704387574 0.00000000000000 10.811 > 13 16 B 0.76748265321662 0.63011704387574 0.00000000000000 10.811 > 13 17 O 0.15979008601247 0.39177732777866 0.86901172958915 15.999 > 17 18 O 0.65979008601247 0.39177732777866 0.86901172958915 15.999 > 17 19 O 0.15979008601247 0.89177732777866 0.86901172958915 15.999 > 17 20 O 0.65979008601247 0.89177732777866 0.86901172958915 15.999 > 17 21 O 0.40979008601247 0.35822267222134 0.63098827041085 15.999 > 21 22 O 0.90979008601247 0.35822267222134 0.63098827041085 15.999 > 21 23 O 0.40979008601247 0.85822267222134 0.63098827041085 15.999 > 21 24 O 0.90979008601247 0.85822267222134 0.63098827041085 15.999 > 21 25 O 0.15979008601247 0.39177732777866 0.13098827041085 15.999 > 25 26 O 0.65979008601247 0.39177732777866 0.13098827041085 15.999 > 25 27 O 0.15979008601247 0.89177732777866 0.13098827041085 15.999 > 25 28 O 0.65979008601247 0.89177732777866 0.13098827041085 15.999 > 25 29 O 0.34020991398753 0.10822267222134 0.13098827041085 15.999 > 29 30 O 0.84020991398753 0.10822267222134 0.13098827041085 15.999 > 29 31 O 0.34020991398753 0.60822267222134 0.13098827041085 15.999 > 29 32 O 0.84020991398753 0.60822267222134 0.13098827041085 15.999 > 29 33 O 0.40979008601247 0.35822267222134 0.36901172958915 15.999 > 33 34 O 0.90979008601247 0.35822267222134 0.36901172958915 15.999 > 33 35 O 0.40979008601247 0.85822267222134 0.36901172958915 15.999 > 33 36 O 0.90979008601247 0.85822267222134 0.36901172958915 15.999 > 33 37 O 0.09020991398753 0.14177732777866 0.36901172958915 15.999 > 37 38 O 0.59020991398753 0.14177732777866 0.36901172958915 15.999 > 37 39 O 0.09020991398753 0.64177732777866 0.36901172958915 15.999 > 37 40 O 0.59020991398753 0.64177732777866 0.36901172958915 15.999 > 37 41 O 0.37122056182427 0.33818387729081 0.00000000000000 15.999 > 41 42 O 0.87122056182427 0.33818387729081 0.00000000000000 15.999 > 41 43 O 0.37122056182427 0.83818387729081 0.00000000000000 15.999 > 41 44 O 0.87122056182427 0.83818387729081 0.00000000000000 15.999 > 41 45 O 0.12122056182427 0.41181612270919 0.50000000000000 15.999 > 45 46 O 0.62122056182427 0.41181612270919 0.50000000000000 15.999 > 45 47 O 0.12122056182427 0.91181612270919 0.50000000000000 15.999 > 45 48 O 0.62122056182427 0.91181612270919 0.50000000000000 15.999 > 45 49 O 0.37877943817573 0.08818387729081 0.50000000000000 15.999 > 49 50 O 0.87877943817573 0.08818387729081 0.50000000000000 15.999 > 49 51 O 0.37877943817573 0.58818387729081 0.50000000000000 15.999 > 49 52 O 0.87877943817573 0.58818387729081 0.50000000000000 15.999 > 49 53 O 0.12877943817573 0.16181612270919 0.00000000000000 15.999 > 53 54 O 0.62877943817573 0.16181612270919 0.00000000000000 15.999 > 53 55 O 0.12877943817573 0.66181612270919 0.00000000000000 15.999 > 53 56 O 0.62877943817573 0.66181612270919 0.00000000000000 15.999 > 53 57 O 0.34020991398753 0.10822267222134 0.86901172958915 15.999 > 57 58 O 0.84020991398753 0.10822267222134 0.86901172958915 15.999 > 57 59 O 0.34020991398753 0.60822267222134 0.86901172958915 15.999 > 57 60 O 0.84020991398753 0.60822267222134 0.86901172958915 15.999 > 57 61 O 0.09020991398753 0.14177732777866 0.63098827041085 15.999 > 61 62 O 0.59020991398753 0.14177732777866 0.63098827041085 15.999 > 61 63 O 0.09020991398753 0.64177732777866 0.63098827041085 15.999 > 61 64 O 0.59020991398753 0.64177732777866 0.63098827041085 15.999 > 61 65 Cd 0.00000000000000 0.25000000000000 0.18869251196351 112.411 > 65 66 Cd 0.50000000000000 0.25000000000000 0.18869251196351 112.411 > 65 67 Cd 0.00000000000000 0.75000000000000 0.18869251196351 112.411 > 65 68 Cd 0.50000000000000 0.75000000000000 0.18869251196351 112.411 > 65 69 Cd 0.25000000000000 0.00000000000000 0.31130748803649 112.411 > 69 70 Cd 0.75000000000000 0.00000000000000 0.31130748803649 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.31130748803649 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.31130748803649 112.411 > 69 73 Cd 0.00000000000000 0.25000000000000 0.81130748803649 112.411 > 73 74 Cd 0.50000000000000 0.25000000000000 0.81130748803649 112.411 > 73 75 Cd 0.00000000000000 0.75000000000000 0.81130748803649 112.411 > 73 76 Cd 0.50000000000000 0.75000000000000 0.81130748803649 112.411 > 73 77 Cd 0.25000000000000 0.00000000000000 0.68869251196351 112.411 > 77 78 Cd 0.75000000000000 0.00000000000000 0.68869251196351 112.411 > 77 79 Cd 0.25000000000000 0.50000000000000 0.68869251196351 112.411 > 77 80 Cd 0.75000000000000 0.50000000000000 0.68869251196351 112.411 > 77 81 Cd 0.25000000000000 0.25000000000000 0.50000000000000 112.411 > 81 82 Cd 0.75000000000000 0.25000000000000 0.50000000000000 112.411 > 81 83 Cd 0.25000000000000 0.75000000000000 0.50000000000000 112.411 > 81 84 Cd 0.75000000000000 0.75000000000000 0.50000000000000 112.411 > 81 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 85 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 85 87 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 85 88 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9406841 0.0000000 0.0000000 0.0000000 3.7468634 0.0000000 0.0000000 0.0000000 3.8478605 -------------------------- Born effective charges -------------------------- 1 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 2 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 3 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 4 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 5 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 6 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 7 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 8 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 9 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 10 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 11 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 12 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 13 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 14 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 15 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 16 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 17 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 18 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 19 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 20 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 21 Cd 2.5979342 0.1251226 0.0000000 0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 22 Cd 2.5979342 -0.1251226 0.0000000 -0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yx) 0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:55:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:55:14]------------------------- Compiled with OpenMP support (max 48 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: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.785524420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.980910650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): 1 B 0.03496530643324 0.23976591224852 0.50000000000000 10.811 2 B 0.46503469356676 0.73976591224852 0.00000000000000 10.811 3 B 0.96503469356676 0.76023408775148 0.50000000000000 10.811 4 B 0.53496530643324 0.26023408775148 0.00000000000000 10.811 5 O 0.31958017202494 0.78355465555731 0.86901172958915 15.999 6 O 0.81958017202494 0.71644534444269 0.63098827041085 15.999 7 O 0.31958017202494 0.78355465555731 0.13098827041085 15.999 8 O 0.68041982797506 0.21644534444269 0.13098827041085 15.999 9 O 0.81958017202494 0.71644534444269 0.36901172958915 15.999 10 O 0.18041982797506 0.28355465555731 0.36901172958915 15.999 11 O 0.74244112364853 0.67636775458162 0.00000000000000 15.999 12 O 0.24244112364853 0.82363224541838 0.50000000000000 15.999 13 O 0.75755887635147 0.17636775458162 0.50000000000000 15.999 14 O 0.25755887635147 0.32363224541838 0.00000000000000 15.999 15 O 0.68041982797506 0.21644534444269 0.86901172958915 15.999 16 O 0.18041982797506 0.28355465555731 0.63098827041085 15.999 17 Cd 0.00000000000000 0.50000000000000 0.18869251196351 112.411 18 Cd 0.50000000000000 0.00000000000000 0.31130748803649 112.411 19 Cd 0.00000000000000 0.50000000000000 0.81130748803649 112.411 20 Cd 0.50000000000000 0.00000000000000 0.68869251196351 112.411 21 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 22 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.571048840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.961821300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.060329490000001 Atomic positions (fractional): 1 B 0.01748265321662 0.11988295612426 0.50000000000000 10.811 > 1 2 B 0.51748265321662 0.11988295612426 0.50000000000000 10.811 > 1 3 B 0.01748265321662 0.61988295612426 0.50000000000000 10.811 > 1 4 B 0.51748265321662 0.61988295612426 0.50000000000000 10.811 > 1 5 B 0.23251734678338 0.36988295612426 0.00000000000000 10.811 > 5 6 B 0.73251734678338 0.36988295612426 0.00000000000000 10.811 > 5 7 B 0.23251734678338 0.86988295612426 0.00000000000000 10.811 > 5 8 B 0.73251734678338 0.86988295612426 0.00000000000000 10.811 > 5 9 B 0.48251734678338 0.38011704387574 0.50000000000000 10.811 > 9 10 B 0.98251734678338 0.38011704387574 0.50000000000000 10.811 > 9 11 B 0.48251734678338 0.88011704387574 0.50000000000000 10.811 > 9 12 B 0.98251734678338 0.88011704387574 0.50000000000000 10.811 > 9 13 B 0.26748265321662 0.13011704387574 0.00000000000000 10.811 > 13 14 B 0.76748265321662 0.13011704387574 0.00000000000000 10.811 > 13 15 B 0.26748265321662 0.63011704387574 0.00000000000000 10.811 > 13 16 B 0.76748265321662 0.63011704387574 0.00000000000000 10.811 > 13 17 O 0.15979008601247 0.39177732777866 0.86901172958915 15.999 > 17 18 O 0.65979008601247 0.39177732777866 0.86901172958915 15.999 > 17 19 O 0.15979008601247 0.89177732777866 0.86901172958915 15.999 > 17 20 O 0.65979008601247 0.89177732777866 0.86901172958915 15.999 > 17 21 O 0.40979008601247 0.35822267222134 0.63098827041085 15.999 > 21 22 O 0.90979008601247 0.35822267222134 0.63098827041085 15.999 > 21 23 O 0.40979008601247 0.85822267222134 0.63098827041085 15.999 > 21 24 O 0.90979008601247 0.85822267222134 0.63098827041085 15.999 > 21 25 O 0.15979008601247 0.39177732777866 0.13098827041085 15.999 > 25 26 O 0.65979008601247 0.39177732777866 0.13098827041085 15.999 > 25 27 O 0.15979008601247 0.89177732777866 0.13098827041085 15.999 > 25 28 O 0.65979008601247 0.89177732777866 0.13098827041085 15.999 > 25 29 O 0.34020991398753 0.10822267222134 0.13098827041085 15.999 > 29 30 O 0.84020991398753 0.10822267222134 0.13098827041085 15.999 > 29 31 O 0.34020991398753 0.60822267222134 0.13098827041085 15.999 > 29 32 O 0.84020991398753 0.60822267222134 0.13098827041085 15.999 > 29 33 O 0.40979008601247 0.35822267222134 0.36901172958915 15.999 > 33 34 O 0.90979008601247 0.35822267222134 0.36901172958915 15.999 > 33 35 O 0.40979008601247 0.85822267222134 0.36901172958915 15.999 > 33 36 O 0.90979008601247 0.85822267222134 0.36901172958915 15.999 > 33 37 O 0.09020991398753 0.14177732777866 0.36901172958915 15.999 > 37 38 O 0.59020991398753 0.14177732777866 0.36901172958915 15.999 > 37 39 O 0.09020991398753 0.64177732777866 0.36901172958915 15.999 > 37 40 O 0.59020991398753 0.64177732777866 0.36901172958915 15.999 > 37 41 O 0.37122056182427 0.33818387729081 0.00000000000000 15.999 > 41 42 O 0.87122056182427 0.33818387729081 0.00000000000000 15.999 > 41 43 O 0.37122056182427 0.83818387729081 0.00000000000000 15.999 > 41 44 O 0.87122056182427 0.83818387729081 0.00000000000000 15.999 > 41 45 O 0.12122056182427 0.41181612270919 0.50000000000000 15.999 > 45 46 O 0.62122056182427 0.41181612270919 0.50000000000000 15.999 > 45 47 O 0.12122056182427 0.91181612270919 0.50000000000000 15.999 > 45 48 O 0.62122056182427 0.91181612270919 0.50000000000000 15.999 > 45 49 O 0.37877943817573 0.08818387729081 0.50000000000000 15.999 > 49 50 O 0.87877943817573 0.08818387729081 0.50000000000000 15.999 > 49 51 O 0.37877943817573 0.58818387729081 0.50000000000000 15.999 > 49 52 O 0.87877943817573 0.58818387729081 0.50000000000000 15.999 > 49 53 O 0.12877943817573 0.16181612270919 0.00000000000000 15.999 > 53 54 O 0.62877943817573 0.16181612270919 0.00000000000000 15.999 > 53 55 O 0.12877943817573 0.66181612270919 0.00000000000000 15.999 > 53 56 O 0.62877943817573 0.66181612270919 0.00000000000000 15.999 > 53 57 O 0.34020991398753 0.10822267222134 0.86901172958915 15.999 > 57 58 O 0.84020991398753 0.10822267222134 0.86901172958915 15.999 > 57 59 O 0.34020991398753 0.60822267222134 0.86901172958915 15.999 > 57 60 O 0.84020991398753 0.60822267222134 0.86901172958915 15.999 > 57 61 O 0.09020991398753 0.14177732777866 0.63098827041085 15.999 > 61 62 O 0.59020991398753 0.14177732777866 0.63098827041085 15.999 > 61 63 O 0.09020991398753 0.64177732777866 0.63098827041085 15.999 > 61 64 O 0.59020991398753 0.64177732777866 0.63098827041085 15.999 > 61 65 Cd 0.00000000000000 0.25000000000000 0.18869251196351 112.411 > 65 66 Cd 0.50000000000000 0.25000000000000 0.18869251196351 112.411 > 65 67 Cd 0.00000000000000 0.75000000000000 0.18869251196351 112.411 > 65 68 Cd 0.50000000000000 0.75000000000000 0.18869251196351 112.411 > 65 69 Cd 0.25000000000000 0.00000000000000 0.31130748803649 112.411 > 69 70 Cd 0.75000000000000 0.00000000000000 0.31130748803649 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.31130748803649 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.31130748803649 112.411 > 69 73 Cd 0.00000000000000 0.25000000000000 0.81130748803649 112.411 > 73 74 Cd 0.50000000000000 0.25000000000000 0.81130748803649 112.411 > 73 75 Cd 0.00000000000000 0.75000000000000 0.81130748803649 112.411 > 73 76 Cd 0.50000000000000 0.75000000000000 0.81130748803649 112.411 > 73 77 Cd 0.25000000000000 0.00000000000000 0.68869251196351 112.411 > 77 78 Cd 0.75000000000000 0.00000000000000 0.68869251196351 112.411 > 77 79 Cd 0.25000000000000 0.50000000000000 0.68869251196351 112.411 > 77 80 Cd 0.75000000000000 0.50000000000000 0.68869251196351 112.411 > 77 81 Cd 0.25000000000000 0.25000000000000 0.50000000000000 112.411 > 81 82 Cd 0.75000000000000 0.25000000000000 0.50000000000000 112.411 > 81 83 Cd 0.25000000000000 0.75000000000000 0.50000000000000 112.411 > 81 84 Cd 0.75000000000000 0.75000000000000 0.50000000000000 112.411 > 81 85 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 85 86 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 85 87 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 85 88 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9406841 0.0000000 0.0000000 0.0000000 3.7468634 0.0000000 0.0000000 0.0000000 3.8478605 -------------------------- Born effective charges -------------------------- 1 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 2 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 3 B 2.8697706 0.7155856 0.0000000 0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 4 B 2.8697706 -0.7155856 0.0000000 -0.7393292 0.9811463 0.0000000 0.0000000 0.0000000 2.4221717 5 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 6 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 7 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 8 O -1.8255045 -0.0085851 -0.3706404 0.0543261 -1.5018834 0.2208922 -0.3414806 0.1465445 -2.3395168 9 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 10 O -1.8255045 0.0085851 0.3706404 -0.0543261 -1.5018834 0.2208922 0.3414806 0.1465445 -2.3395168 11 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 12 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 13 O -2.8080981 -0.2719217 0.0000000 -0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 14 O -2.8080981 0.2719217 0.0000000 0.2704564 -1.7551587 0.0000000 0.0000000 0.0000000 -1.2966896 15 O -1.8255045 -0.0085851 0.3706404 0.0543261 -1.5018834 -0.2208922 0.3414806 -0.1465445 -2.3395168 16 O -1.8255045 0.0085851 -0.3706404 -0.0543261 -1.5018834 -0.2208922 -0.3414806 -0.1465445 -2.3395168 17 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 18 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 19 Cd 2.2903694 -0.0562598 0.0000000 0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 20 Cd 2.2903694 0.0562598 0.0000000 -0.0525524 2.4626170 0.0000000 0.0000000 0.0000000 2.6757135 21 Cd 2.5979342 0.1251226 0.0000000 0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 22 Cd 2.5979342 -0.1251226 0.0000000 -0.1274271 2.6303241 0.0000000 0.0000000 0.0000000 1.7556759 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 291, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 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 1.937 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.116 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.711 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.781 ( 0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.255 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 15.680 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 17.425 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 0.000) 0.000 18.136 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 19.645 ( 0.000 0.000 0.000) 0.000 19.656 ( 0.000 0.000 0.000) 0.000 21.185 ( 0.000 0.000 0.000) 0.000 21.193 ( 0.000 0.000 0.000) 0.000 26.038 ( 0.000 0.000 0.000) 0.000 26.119 ( 0.000 0.000 0.000) 0.000 26.452 ( 0.000 0.000 0.000) 0.000 26.476 ( 0.000 0.000 0.000) 0.000 33.385 ( 0.000 0.000 0.000) 0.000 33.788 ( 0.000 0.000 0.000) 0.000 33.809 ( 0.000 0.000 0.000) 0.000 36.164 ( 0.000 0.000 0.000) 0.000 36.324 ( 0.000 0.000 0.000) 0.000 36.565 ( 0.000 0.000 0.000) 0.000 36.645 ( 0.000 0.000 0.000) 0.000 36.939 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 26.430 0.000 0.000) 26.430 0.623 ( 28.501 0.000 0.000) 28.501 1.251 ( 57.827 0.000 0.000) 57.827 1.930 ( -1.060 0.000 0.000) 1.060 2.312 ( 0.692 0.000 0.000) 0.692 2.402 ( 1.830 0.000 0.000) 1.830 2.404 ( 3.396 0.000 0.000) 3.396 2.445 ( -5.615 0.000 0.000) 5.615 2.724 ( 11.979 0.000 0.000) 11.979 3.071 ( 7.773 0.000 0.000) 7.773 3.212 ( -4.202 0.000 0.000) 4.202 3.244 ( -0.321 0.000 0.000) 0.321 3.430 ( -1.293 0.000 0.000) 1.293 3.599 ( -1.023 0.000 0.000) 1.023 4.136 ( 0.135 0.000 0.000) 0.135 4.412 ( -5.439 0.000 0.000) 5.439 4.673 ( -0.292 0.000 0.000) 0.292 4.934 ( -7.934 0.000 0.000) 7.934 5.358 ( -0.222 0.000 0.000) 0.222 6.268 ( -1.343 0.000 0.000) 1.343 6.374 ( -8.370 0.000 0.000) 8.370 6.573 ( -4.702 0.000 0.000) 4.702 6.597 ( -8.756 0.000 0.000) 8.756 7.005 ( -5.664 0.000 0.000) 5.664 7.085 ( -2.476 0.000 0.000) 2.476 7.169 ( 8.700 0.000 0.000) 8.700 7.387 ( -9.816 0.000 0.000) 9.816 7.513 ( 6.999 0.000 0.000) 6.999 7.581 ( 10.482 0.000 0.000) 10.482 8.008 ( 9.610 0.000 0.000) 9.610 8.172 ( -11.306 0.000 0.000) 11.306 8.363 ( 9.719 0.000 0.000) 9.719 8.735 ( 2.759 0.000 0.000) 2.759 9.297 ( 4.749 0.000 0.000) 4.749 9.667 ( -7.921 0.000 0.000) 7.921 9.918 ( -3.901 0.000 0.000) 3.901 10.039 ( -1.135 0.000 0.000) 1.135 10.174 ( 5.532 0.000 0.000) 5.532 10.477 ( 1.169 0.000 0.000) 1.169 10.652 ( -2.576 0.000 0.000) 2.576 10.736 ( 3.813 0.000 0.000) 3.813 12.277 ( -4.763 0.000 0.000) 4.763 15.738 ( 5.100 0.000 0.000) 5.100 16.076 ( 2.158 0.000 0.000) 2.158 16.152 ( -0.505 0.000 0.000) 0.505 16.400 ( -0.050 0.000 0.000) 0.050 17.444 ( -2.160 0.000 0.000) 2.160 17.456 ( -1.423 0.000 0.000) 1.423 18.088 ( -8.416 0.000 0.000) 8.416 18.127 ( -1.049 0.000 0.000) 1.049 19.650 ( 0.393 0.000 0.000) 0.393 19.759 ( -0.867 0.000 0.000) 0.867 21.177 ( -0.677 0.000 0.000) 0.677 21.189 ( -0.394 0.000 0.000) 0.394 26.059 ( 1.818 0.000 0.000) 1.818 26.120 ( 0.131 0.000 0.000) 0.131 26.452 ( -0.034 0.000 0.000) 0.034 26.473 ( -0.273 0.000 0.000) 0.273 33.436 ( 4.690 0.000 0.000) 4.690 33.820 ( 0.932 0.000 0.000) 0.932 33.832 ( 4.231 0.000 0.000) 4.231 36.217 ( 4.903 0.000 0.000) 4.903 36.521 ( -11.436 0.000 0.000) 11.436 36.547 ( 0.012 0.000 0.000) 0.012 37.183 ( 20.643 0.000 0.000) 20.643 39.690 ( -0.375 0.000 0.000) 0.375 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 24.577 0.000 0.000) 24.577 1.155 ( 21.224 0.000 0.000) 21.224 1.872 ( -4.661 0.000 0.000) 4.661 2.296 ( 4.691 0.000 0.000) 4.691 2.296 ( 21.474 0.000 0.000) 21.474 2.363 ( 4.554 0.000 0.000) 4.554 2.531 ( 7.798 0.000 0.000) 7.798 2.583 ( 23.096 0.000 0.000) 23.096 2.978 ( 9.854 0.000 0.000) 9.854 3.114 ( -3.291 0.000 0.000) 3.291 3.235 ( 7.004 0.000 0.000) 7.004 3.249 ( 1.823 0.000 0.000) 1.823 3.379 ( -3.911 0.000 0.000) 3.911 3.572 ( -1.320 0.000 0.000) 1.320 4.133 ( -0.635 0.000 0.000) 0.635 4.253 ( -9.215 0.000 0.000) 9.215 4.665 ( -0.365 0.000 0.000) 0.365 4.711 ( -12.739 0.000 0.000) 12.739 5.370 ( 0.863 0.000 0.000) 0.863 6.092 ( -18.092 0.000 0.000) 18.092 6.124 ( -12.260 0.000 0.000) 12.260 6.366 ( -13.034 0.000 0.000) 13.034 6.498 ( -1.859 0.000 0.000) 1.859 6.830 ( -11.167 0.000 0.000) 11.167 7.068 ( 1.224 0.000 0.000) 1.224 7.083 ( -17.236 0.000 0.000) 17.236 7.377 ( 9.027 0.000 0.000) 9.027 7.821 ( 21.049 0.000 0.000) 21.049 7.873 ( -15.843 0.000 0.000) 15.843 7.879 ( 17.729 0.000 0.000) 17.729 8.241 ( 12.149 0.000 0.000) 12.149 8.555 ( 7.007 0.000 0.000) 7.007 8.868 ( 10.334 0.000 0.000) 10.334 9.408 ( 5.289 0.000 0.000) 5.289 9.531 ( -3.960 0.000 0.000) 3.960 9.812 ( -5.852 0.000 0.000) 5.852 10.022 ( -0.235 0.000 0.000) 0.235 10.255 ( 1.350 0.000 0.000) 1.350 10.493 ( 0.053 0.000 0.000) 0.053 10.573 ( -4.743 0.000 0.000) 4.743 10.855 ( 7.409 0.000 0.000) 7.409 12.138 ( -8.301 0.000 0.000) 8.301 15.866 ( 6.525 0.000 0.000) 6.525 16.136 ( 3.404 0.000 0.000) 3.404 16.138 ( -0.787 0.000 0.000) 0.787 16.397 ( -0.335 0.000 0.000) 0.335 17.387 ( -3.058 0.000 0.000) 3.058 17.413 ( -2.591 0.000 0.000) 2.591 17.883 ( -9.825 0.000 0.000) 9.825 18.085 ( -3.071 0.000 0.000) 3.071 19.657 ( 0.158 0.000 0.000) 0.158 19.735 ( -1.386 0.000 0.000) 1.386 21.159 ( -0.967 0.000 0.000) 0.967 21.177 ( -0.715 0.000 0.000) 0.715 26.103 ( 2.095 0.000 0.000) 2.095 26.124 ( 0.253 0.000 0.000) 0.253 26.450 ( -0.106 0.000 0.000) 0.106 26.465 ( -0.481 0.000 0.000) 0.481 33.560 ( 6.482 0.000 0.000) 6.482 33.844 ( 1.296 0.000 0.000) 1.296 33.973 ( 9.441 0.000 0.000) 9.441 36.198 ( -18.526 0.000 0.000) 18.526 36.356 ( 7.919 0.000 0.000) 7.919 36.587 ( 3.552 0.000 0.000) 3.552 37.713 ( 28.431 0.000 0.000) 28.431 39.672 ( -1.603 0.000 0.000) 1.603 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 6.921 0.000 0.000) 6.921 1.583 ( 21.737 0.000 0.000) 21.737 1.746 ( -6.930 0.000 0.000) 6.930 2.310 ( 6.302 0.000 0.000) 6.302 2.502 ( 8.475 0.000 0.000) 8.475 2.522 ( 3.668 0.000 0.000) 3.668 2.743 ( 12.489 0.000 0.000) 12.489 2.914 ( -1.343 0.000 0.000) 1.343 3.073 ( 0.188 0.000 0.000) 0.188 3.261 ( -7.210 0.000 0.000) 7.210 3.330 ( 1.439 0.000 0.000) 1.439 3.366 ( 8.873 0.000 0.000) 8.873 3.508 ( 37.226 0.000 0.000) 37.226 3.547 ( -1.191 0.000 0.000) 1.191 4.060 ( -8.609 0.000 0.000) 8.609 4.098 ( -3.077 0.000 0.000) 3.077 4.438 ( -12.096 0.000 0.000) 12.096 4.671 ( 1.470 0.000 0.000) 1.470 5.350 ( -3.802 0.000 0.000) 3.802 5.660 ( -22.103 0.000 0.000) 22.103 5.816 ( -15.323 0.000 0.000) 15.323 6.068 ( -15.049 0.000 0.000) 15.049 6.504 ( 2.242 0.000 0.000) 2.242 6.563 ( -13.502 0.000 0.000) 13.502 6.692 ( -18.598 0.000 0.000) 18.598 7.095 ( -0.541 0.000 0.000) 0.541 7.536 ( 5.581 0.000 0.000) 5.581 7.582 ( -9.991 0.000 0.000) 9.991 8.260 ( 17.492 0.000 0.000) 17.492 8.303 ( 22.186 0.000 0.000) 22.186 8.525 ( 15.713 0.000 0.000) 15.713 8.671 ( 4.725 0.000 0.000) 4.725 9.103 ( 10.455 0.000 0.000) 10.455 9.503 ( 3.546 0.000 0.000) 3.546 9.533 ( 4.513 0.000 0.000) 4.513 9.694 ( -5.003 0.000 0.000) 5.003 10.028 ( 0.615 0.000 0.000) 0.615 10.193 ( -7.985 0.000 0.000) 7.985 10.473 ( -2.056 0.000 0.000) 2.056 10.481 ( -3.426 0.000 0.000) 3.426 11.036 ( 9.713 0.000 0.000) 9.713 11.941 ( -10.260 0.000 0.000) 10.260 15.988 ( 4.798 0.000 0.000) 4.798 16.121 ( -0.736 0.000 0.000) 0.736 16.210 ( 3.431 0.000 0.000) 3.431 16.385 ( -0.832 0.000 0.000) 0.832 17.325 ( -2.653 0.000 0.000) 2.653 17.353 ( -2.921 0.000 0.000) 2.921 17.720 ( -5.228 0.000 0.000) 5.228 17.996 ( -5.394 0.000 0.000) 5.394 19.657 ( -0.068 0.000 0.000) 0.068 19.705 ( -1.412 0.000 0.000) 1.412 21.140 ( -0.762 0.000 0.000) 0.762 21.160 ( -0.865 0.000 0.000) 0.865 26.131 ( 0.382 0.000 0.000) 0.382 26.138 ( 1.208 0.000 0.000) 1.208 26.447 ( -0.179 0.000 0.000) 0.179 26.454 ( -0.509 0.000 0.000) 0.509 33.687 ( 5.470 0.000 0.000) 5.470 33.868 ( 0.804 0.000 0.000) 0.804 34.225 ( 14.491 0.000 0.000) 14.491 35.782 ( -20.669 0.000 0.000) 20.669 36.528 ( 8.068 0.000 0.000) 8.068 36.674 ( 4.242 0.000 0.000) 4.242 38.312 ( 27.741 0.000 0.000) 27.741 39.613 ( -4.344 0.000 0.000) 4.344 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.133 0.000 0.000) 0.133 1.607 ( -5.751 0.000 0.000) 5.751 1.997 ( 17.643 0.000 0.000) 17.643 2.503 ( -5.615 0.000 0.000) 5.615 2.510 ( 10.998 0.000 0.000) 10.998 2.691 ( 8.246 0.000 0.000) 8.246 2.921 ( 2.908 0.000 0.000) 2.908 3.034 ( 13.905 0.000 0.000) 13.905 3.048 ( -1.934 0.000 0.000) 1.934 3.099 ( -7.006 0.000 0.000) 7.006 3.285 ( -4.923 0.000 0.000) 4.923 3.504 ( -3.819 0.000 0.000) 3.819 3.588 ( 12.133 0.000 0.000) 12.133 3.913 ( -5.001 0.000 0.000) 5.001 3.958 ( -4.553 0.000 0.000) 4.553 4.067 ( -1.624 0.000 0.000) 1.624 4.391 ( 18.578 0.000 0.000) 18.578 4.741 ( 5.369 0.000 0.000) 5.369 5.189 ( -11.719 0.000 0.000) 11.719 5.218 ( -18.959 0.000 0.000) 18.959 5.564 ( -7.187 0.000 0.000) 7.187 5.761 ( -13.449 0.000 0.000) 13.449 6.309 ( -9.787 0.000 0.000) 9.787 6.336 ( -12.493 0.000 0.000) 12.493 6.616 ( 6.632 0.000 0.000) 6.632 6.988 ( -8.895 0.000 0.000) 8.895 7.507 ( 1.661 0.000 0.000) 1.661 7.600 ( 0.567 0.000 0.000) 0.567 8.529 ( 9.769 0.000 0.000) 9.769 8.734 ( 4.219 0.000 0.000) 4.219 8.756 ( 15.124 0.000 0.000) 15.124 8.837 ( 11.597 0.000 0.000) 11.597 9.291 ( 8.850 0.000 0.000) 8.850 9.555 ( 1.598 0.000 0.000) 1.598 9.614 ( -2.579 0.000 0.000) 2.579 9.705 ( 10.127 0.000 0.000) 10.127 9.940 ( -14.612 0.000 0.000) 14.612 10.035 ( -0.688 0.000 0.000) 0.688 10.414 ( -3.004 0.000 0.000) 3.004 10.423 ( -2.451 0.000 0.000) 2.451 11.253 ( 10.825 0.000 0.000) 10.825 11.717 ( -11.055 0.000 0.000) 11.055 16.062 ( 2.381 0.000 0.000) 2.381 16.108 ( -0.556 0.000 0.000) 0.556 16.275 ( 2.769 0.000 0.000) 2.769 16.361 ( -1.419 0.000 0.000) 1.419 17.282 ( -1.329 0.000 0.000) 1.329 17.300 ( -2.041 0.000 0.000) 2.041 17.674 ( 0.805 0.000 0.000) 0.805 17.868 ( -6.528 0.000 0.000) 6.528 19.657 ( 0.072 0.000 0.000) 0.072 19.679 ( -1.043 0.000 0.000) 1.043 21.130 ( -0.229 0.000 0.000) 0.229 21.143 ( -0.751 0.000 0.000) 0.751 26.140 ( 0.487 0.000 0.000) 0.487 26.153 ( 0.190 0.000 0.000) 0.190 26.444 ( -0.156 0.000 0.000) 0.156 26.445 ( -0.307 0.000 0.000) 0.307 33.784 ( 3.829 0.000 0.000) 3.829 33.873 ( -0.441 0.000 0.000) 0.441 34.563 ( 17.440 0.000 0.000) 17.440 35.353 ( -20.130 0.000 0.000) 20.130 36.674 ( 5.591 0.000 0.000) 5.591 36.745 ( 2.130 0.000 0.000) 2.130 38.838 ( 22.142 0.000 0.000) 22.142 39.477 ( -8.917 0.000 0.000) 8.917 ======================= Grid point 5 (6/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -2.262 0.000 0.000) 2.262 1.522 ( 2.262 0.000 0.000) 2.262 2.312 ( -12.305 0.000 0.000) 12.305 2.312 ( 12.305 0.000 0.000) 12.305 2.716 ( -7.064 0.000 0.000) 7.064 2.716 ( 7.064 0.000 0.000) 7.064 2.995 ( -3.281 0.000 0.000) 3.281 2.995 ( 3.281 0.000 0.000) 3.281 3.087 ( -6.120 0.000 0.000) 6.120 3.087 ( 6.120 0.000 0.000) 6.120 3.357 ( -10.144 0.000 0.000) 10.144 3.357 ( 10.144 0.000 0.000) 10.144 3.842 ( -8.399 0.000 0.000) 8.399 3.842 ( 8.399 0.000 0.000) 8.399 3.888 ( -6.153 0.000 0.000) 6.153 3.888 ( 6.153 0.000 0.000) 6.153 4.858 ( -20.031 0.000 0.000) 20.031 4.858 ( 20.031 0.000 0.000) 20.031 4.905 ( -10.898 0.000 0.000) 10.898 4.905 ( 10.898 0.000 0.000) 10.898 5.550 ( -5.626 0.000 0.000) 5.626 5.550 ( 5.626 0.000 0.000) 5.626 6.199 ( -0.219 0.000 0.000) 0.219 6.199 ( 0.219 0.000 0.000) 0.219 6.787 ( -9.392 0.000 0.000) 9.392 6.787 ( 9.392 0.000 0.000) 9.392 7.569 ( -3.004 0.000 0.000) 3.004 7.569 ( 3.004 0.000 0.000) 3.004 8.690 ( -5.373 0.000 0.000) 5.373 8.690 ( 5.373 0.000 0.000) 5.373 8.959 ( -0.771 0.000 0.000) 0.771 8.959 ( 0.771 0.000 0.000) 0.771 9.559 ( -16.693 0.000 0.000) 16.693 9.559 ( 16.693 0.000 0.000) 16.693 9.579 ( -1.050 0.000 0.000) 1.050 9.579 ( 1.050 0.000 0.000) 1.050 9.950 ( -7.936 0.000 0.000) 7.936 9.950 ( 7.936 0.000 0.000) 7.936 10.384 ( -0.648 0.000 0.000) 0.648 10.384 ( 0.648 0.000 0.000) 0.648 11.484 ( -11.195 0.000 0.000) 11.195 11.484 ( 11.195 0.000 0.000) 11.195 16.094 ( -0.885 0.000 0.000) 0.885 16.094 ( 0.885 0.000 0.000) 0.885 16.325 ( -2.055 0.000 0.000) 2.055 16.325 ( 2.055 0.000 0.000) 2.055 17.273 ( -0.443 0.000 0.000) 0.443 17.273 ( 0.443 0.000 0.000) 0.443 17.741 ( -5.143 0.000 0.000) 5.143 17.741 ( 5.143 0.000 0.000) 5.143 19.662 ( -0.512 0.000 0.000) 0.512 19.662 ( 0.512 0.000 0.000) 0.512 21.131 ( -0.353 0.000 0.000) 0.353 21.131 ( 0.353 0.000 0.000) 0.353 26.150 ( -0.380 0.000 0.000) 0.380 26.150 ( 0.380 0.000 0.000) 0.380 26.442 ( -0.024 0.000 0.000) 0.024 26.442 ( 0.024 0.000 0.000) 0.024 33.846 ( -2.098 0.000 0.000) 2.098 33.846 ( 2.098 0.000 0.000) 2.098 34.944 ( -18.960 0.000 0.000) 18.960 34.944 ( 18.960 0.000 0.000) 18.960 36.751 ( -1.661 0.000 0.000) 1.661 36.751 ( 1.661 0.000 0.000) 1.661 39.228 ( -15.156 0.000 0.000) 15.156 39.228 ( 15.156 0.000 0.000) 15.156 ======================= Grid point 11 (7/120) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 0.000 19.780 0.000) 19.780 0.555 ( 0.000 26.344 0.000) 26.344 1.116 ( 0.000 52.412 0.000) 52.412 1.789 ( 0.000 -10.598 0.000) 10.598 2.344 ( 0.000 3.135 0.000) 3.135 2.467 ( 0.000 12.825 0.000) 12.825 2.483 ( 0.000 -5.115 0.000) 5.115 2.493 ( 0.000 7.712 0.000) 7.712 2.681 ( 0.000 1.482 0.000) 1.482 2.948 ( 0.000 -1.490 0.000) 1.490 3.136 ( 0.000 -9.864 0.000) 9.864 3.164 ( 0.000 0.029 0.000) 0.029 3.371 ( 0.000 -5.771 0.000) 5.771 3.619 ( 0.000 0.686 0.000) 0.686 4.058 ( 0.000 -7.410 0.000) 7.410 4.703 ( 0.000 5.305 0.000) 5.305 4.781 ( 0.000 9.181 0.000) 9.181 4.993 ( 0.000 -2.434 0.000) 2.434 5.320 ( 0.000 -4.145 0.000) 4.145 6.321 ( 0.000 5.732 0.000) 5.732 6.415 ( 0.000 -5.700 0.000) 5.700 6.496 ( 0.000 -9.091 0.000) 9.091 6.686 ( 0.000 -17.579 0.000) 17.579 6.756 ( 0.000 4.936 0.000) 4.936 7.248 ( 0.000 7.907 0.000) 7.907 7.298 ( 0.000 -1.056 0.000) 1.056 7.400 ( 0.000 13.506 0.000) 13.506 7.487 ( 0.000 1.671 0.000) 1.671 7.804 ( 0.000 -6.607 0.000) 6.607 7.840 ( 0.000 0.878 0.000) 0.878 8.239 ( 0.000 -4.774 0.000) 4.774 8.370 ( 0.000 10.108 0.000) 10.108 8.757 ( 0.000 4.160 0.000) 4.160 9.293 ( 0.000 4.579 0.000) 4.579 9.709 ( 0.000 -6.696 0.000) 6.696 9.882 ( 0.000 0.189 0.000) 0.189 10.037 ( 0.000 5.534 0.000) 5.534 10.172 ( 0.000 -6.789 0.000) 6.789 10.281 ( 0.000 -2.841 0.000) 2.841 10.488 ( 0.000 1.434 0.000) 1.434 10.693 ( 0.000 0.742 0.000) 0.742 12.267 ( 0.000 -5.793 0.000) 5.793 15.696 ( 0.000 1.452 0.000) 1.452 16.032 ( 0.000 -1.738 0.000) 1.738 16.178 ( 0.000 1.710 0.000) 1.710 16.393 ( 0.000 -0.687 0.000) 0.687 17.477 ( 0.000 4.718 0.000) 4.718 17.655 ( 0.000 1.836 0.000) 1.836 18.122 ( 0.000 -1.379 0.000) 1.379 18.162 ( 0.000 -2.009 0.000) 2.009 19.737 ( 0.000 7.677 0.000) 7.677 20.787 ( 0.000 0.878 0.000) 0.878 21.162 ( 0.000 -3.078 0.000) 3.078 21.165 ( 0.000 -1.865 0.000) 1.865 26.061 ( 0.000 1.184 0.000) 1.184 26.132 ( 0.000 1.229 0.000) 1.229 26.444 ( 0.000 -0.743 0.000) 0.743 26.456 ( 0.000 -1.814 0.000) 1.814 33.393 ( 0.000 0.801 0.000) 0.801 33.657 ( 0.000 -5.222 0.000) 5.222 34.020 ( 0.000 12.682 0.000) 12.682 36.177 ( 0.000 1.185 0.000) 1.185 36.322 ( 0.000 -0.225 0.000) 0.225 36.513 ( 0.000 -12.193 0.000) 12.193 36.580 ( 0.000 1.421 0.000) 1.421 37.271 ( 0.000 -4.192 0.000) 4.192 ======================= Grid point 12 (8/120) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 23.219 10.441 0.000) 25.459 0.806 ( 18.989 18.387 0.000) 26.432 1.632 ( 40.467 32.138 0.000) 51.676 1.797 ( 0.495 -10.073 0.000) 10.086 2.317 ( -1.934 2.079 0.000) 2.839 2.392 ( -6.922 -4.028 0.000) 8.009 2.494 ( 3.170 8.569 0.000) 9.137 2.539 ( 4.188 7.366 0.000) 8.473 2.770 ( 7.804 3.104 0.000) 8.398 3.032 ( 6.361 -2.983 0.000) 7.025 3.129 ( -0.032 -8.063 0.000) 8.063 3.194 ( 0.308 -1.827 0.000) 1.852 3.358 ( -1.311 -5.755 0.000) 5.902 3.622 ( 0.263 1.781 0.000) 1.800 4.056 ( 0.207 -7.258 0.000) 7.261 4.544 ( -9.521 8.700 0.000) 12.897 4.782 ( 0.105 9.588 0.000) 9.589 4.917 ( -7.146 -1.719 0.000) 7.350 5.324 ( 0.357 -3.405 0.000) 3.424 6.349 ( -8.508 -2.803 0.000) 8.958 6.351 ( 0.702 7.803 0.000) 7.835 6.433 ( -1.639 -10.834 0.000) 10.957 6.743 ( 2.355 -15.727 0.000) 15.902 6.802 ( -2.583 11.304 0.000) 11.595 7.151 ( -7.910 5.118 0.000) 9.421 7.404 ( -6.697 3.671 0.000) 7.637 7.422 ( 1.088 12.200 0.000) 12.249 7.457 ( 11.915 -2.559 0.000) 12.187 7.696 ( -1.575 4.643 0.000) 4.903 8.000 ( 12.849 -0.328 0.000) 12.853 8.120 ( -10.871 -4.331 0.000) 11.701 8.483 ( 8.540 10.251 0.000) 13.343 8.675 ( -1.052 -1.639 0.000) 1.947 9.337 ( 3.810 3.691 0.000) 5.305 9.623 ( -6.692 -5.031 0.000) 8.372 9.985 ( 0.267 -4.847 0.000) 4.855 9.992 ( -4.057 5.592 0.000) 6.909 10.153 ( 1.097 -6.627 0.000) 6.717 10.220 ( 3.541 -7.962 0.000) 8.714 10.664 ( 4.431 -1.813 0.000) 4.788 10.732 ( 3.728 0.474 0.000) 3.758 12.216 ( -4.725 -5.758 0.000) 7.449 15.750 ( 4.823 1.156 0.000) 4.960 16.053 ( 1.956 -1.803 0.000) 2.660 16.175 ( -0.250 1.833 0.000) 1.850 16.394 ( 0.035 -0.602 0.000) 0.603 17.427 ( -3.662 2.616 0.000) 4.501 17.601 ( -3.931 6.111 0.000) 7.267 18.058 ( -5.916 -2.842 0.000) 6.563 18.104 ( -3.673 -0.760 0.000) 3.751 19.719 ( -1.301 7.418 0.000) 7.531 20.245 ( -22.081 26.019 0.000) 34.126 21.133 ( -1.575 -3.684 0.000) 4.006 21.180 ( 0.319 -1.417 0.000) 1.452 26.075 ( 1.522 1.378 0.000) 2.053 26.133 ( 0.092 1.181 0.000) 1.185 26.431 ( -0.788 -1.410 0.000) 1.615 26.462 ( 0.392 -1.337 0.000) 1.394 33.443 ( 4.504 0.639 0.000) 4.549 33.697 ( 3.808 -4.694 0.000) 6.045 34.032 ( 1.206 11.977 0.000) 12.037 36.234 ( 5.235 1.512 0.000) 5.449 36.398 ( -10.636 -11.389 0.000) 15.583 36.569 ( 0.711 2.120 0.000) 2.236 37.044 ( 27.250 -12.648 0.000) 30.043 38.375 ( 63.522 -63.461 0.000) 89.791 ======================= Grid point 13 (9/120) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 18.804 4.620 0.000) 19.363 1.240 ( 21.425 12.104 0.000) 24.608 1.786 ( -2.237 -7.761 0.000) 8.077 2.262 ( -3.616 -3.071 0.000) 4.744 2.301 ( 1.080 -1.402 0.000) 1.770 2.453 ( 23.308 13.797 0.000) 27.085 2.636 ( 19.809 4.059 0.000) 20.221 2.666 ( 8.022 7.250 0.000) 10.813 2.921 ( 3.833 -1.245 0.000) 4.030 3.149 ( 3.278 -6.821 0.000) 7.568 3.179 ( 2.172 -5.497 0.000) 5.910 3.192 ( 6.256 4.293 0.000) 7.587 3.321 ( -1.629 -3.899 0.000) 4.225 3.633 ( 0.775 4.405 0.000) 4.472 4.059 ( -0.469 -6.342 0.000) 6.360 4.351 ( -8.833 7.736 0.000) 11.741 4.711 ( -11.969 -0.316 0.000) 11.973 4.782 ( -0.109 10.319 0.000) 10.319 5.337 ( 0.301 -3.553 0.000) 3.566 6.097 ( -15.444 0.081 0.000) 15.444 6.255 ( -9.859 12.689 0.000) 16.069 6.411 ( -0.569 -7.297 0.000) 7.319 6.627 ( -12.969 20.712 0.000) 24.437 6.720 ( -4.951 -10.286 0.000) 11.416 6.948 ( -11.977 -3.469 0.000) 12.469 7.231 ( -7.372 8.007 0.000) 10.884 7.479 ( 3.850 7.026 0.000) 8.012 7.724 ( 14.039 -5.992 0.000) 15.264 7.828 ( -15.621 -3.801 0.000) 16.077 7.889 ( 18.329 -0.043 0.000) 18.329 8.311 ( 15.781 4.953 0.000) 16.540 8.611 ( 3.974 2.301 0.000) 4.592 8.816 ( 12.604 -0.432 0.000) 12.612 9.429 ( 4.422 2.142 0.000) 4.913 9.500 ( -3.629 -3.779 0.000) 5.239 9.881 ( -6.157 5.485 0.000) 8.246 9.928 ( -2.710 -8.633 0.000) 9.048 10.232 ( 2.801 -8.514 0.000) 8.963 10.293 ( 2.889 -4.242 0.000) 5.132 10.659 ( -3.491 0.904 0.000) 3.606 10.847 ( 7.139 -0.218 0.000) 7.142 12.079 ( -8.167 -5.589 0.000) 9.896 15.872 ( 6.243 0.581 0.000) 6.270 16.103 ( 2.267 -1.743 0.000) 2.859 16.173 ( 0.443 1.925 0.000) 1.976 16.392 ( -0.237 -0.423 0.000) 0.485 17.352 ( -3.379 -0.037 0.000) 3.379 17.509 ( -4.767 5.181 0.000) 7.041 17.886 ( -8.790 0.214 0.000) 8.793 18.046 ( -2.897 -2.818 0.000) 4.042 19.699 ( -0.450 6.283 0.000) 6.299 19.981 ( -7.047 17.892 0.000) 19.230 21.102 ( -1.305 -4.508 0.000) 4.693 21.176 ( -0.675 -1.086 0.000) 1.279 26.115 ( 1.949 1.127 0.000) 2.251 26.136 ( 0.214 1.077 0.000) 1.098 26.417 ( -0.507 -2.155 0.000) 2.213 26.467 ( 0.002 -0.646 0.000) 0.646 33.561 ( 6.280 0.301 0.000) 6.287 33.809 ( 6.273 -2.237 0.000) 6.660 34.081 ( 4.096 8.944 0.000) 9.837 36.097 ( -17.342 -9.411 0.000) 19.731 36.382 ( 8.505 2.458 0.000) 8.854 36.627 ( 4.427 3.769 0.000) 5.814 37.622 ( 28.956 -8.389 0.000) 30.147 39.154 ( 18.343 -40.215 0.000) 44.201 ======================= Grid point 14 (10/120) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.609 -0.170 0.000) 4.612 1.673 ( 19.647 8.116 0.000) 21.257 1.695 ( -6.070 -5.041 0.000) 7.891 2.289 ( 6.031 -2.109 0.000) 6.389 2.401 ( 8.698 -4.466 0.000) 9.778 2.593 ( 1.082 5.716 0.000) 5.817 2.875 ( 11.848 6.874 0.000) 13.698 2.938 ( 0.419 0.060 0.000) 0.423 3.011 ( 3.935 -1.421 0.000) 4.183 3.116 ( -5.425 -10.332 0.000) 11.670 3.311 ( 11.178 -3.574 0.000) 11.736 3.319 ( 0.228 -0.259 0.000) 0.345 3.590 ( 27.556 5.381 0.000) 28.076 3.642 ( -0.422 6.393 0.000) 6.406 4.014 ( -3.252 -3.018 0.000) 4.436 4.199 ( -5.512 7.533 0.000) 9.334 4.450 ( -11.720 0.686 0.000) 11.740 4.787 ( 1.056 10.306 0.000) 10.360 5.295 ( -5.087 -5.655 0.000) 7.606 5.718 ( -19.910 5.149 0.000) 20.565 6.002 ( -12.626 17.746 0.000) 21.780 6.312 ( -16.153 21.458 0.000) 26.858 6.414 ( -0.435 -6.514 0.000) 6.529 6.559 ( -8.148 -2.433 0.000) 8.504 6.647 ( -15.290 -3.473 0.000) 15.680 7.127 ( -4.524 2.920 0.000) 5.385 7.537 ( -7.334 -3.583 0.000) 8.162 7.563 ( 0.739 1.755 0.000) 1.904 8.027 ( 14.637 -11.797 0.000) 18.799 8.332 ( 20.431 -4.931 0.000) 21.018 8.622 ( 12.687 7.104 0.000) 14.540 8.718 ( 7.305 3.006 0.000) 7.899 9.089 ( 12.600 0.688 0.000) 12.619 9.509 ( 3.148 1.085 0.000) 3.330 9.509 ( 4.925 -2.526 0.000) 5.535 9.755 ( -5.541 4.851 0.000) 7.364 9.882 ( -2.228 -11.218 0.000) 11.437 10.233 ( -2.973 -1.631 0.000) 3.391 10.331 ( 0.802 -4.338 0.000) 4.411 10.559 ( -5.343 1.087 0.000) 5.452 11.021 ( 9.298 -1.124 0.000) 9.366 11.887 ( -9.959 -5.142 0.000) 11.208 15.990 ( 4.702 0.215 0.000) 4.707 16.124 ( -0.039 0.110 0.000) 0.116 16.210 ( 2.814 0.247 0.000) 2.825 16.382 ( -0.794 -0.294 0.000) 0.846 17.291 ( -2.305 -1.046 0.000) 2.531 17.408 ( -4.691 2.778 0.000) 5.452 17.737 ( -4.938 1.605 0.000) 5.193 17.966 ( -4.793 -2.434 0.000) 5.375 19.699 ( 0.419 5.900 0.000) 5.914 19.872 ( -4.024 12.961 0.000) 13.571 21.082 ( -0.558 -4.703 0.000) 4.736 21.154 ( -1.346 -1.474 0.000) 1.997 26.141 ( 0.398 0.941 0.000) 1.022 26.150 ( 1.109 1.018 0.000) 1.506 26.411 ( -0.068 -2.259 0.000) 2.260 26.462 ( -0.517 -0.384 0.000) 0.644 33.690 ( 5.791 0.522 0.000) 5.814 33.909 ( 2.520 3.111 0.000) 4.004 34.243 ( 11.779 2.129 0.000) 11.970 35.705 ( -19.525 -7.121 0.000) 20.783 36.568 ( 8.738 3.757 0.000) 9.511 36.730 ( 4.833 5.232 0.000) 7.122 38.224 ( 27.602 -8.154 0.000) 28.781 39.351 ( 2.842 -22.737 0.000) 22.914 ======================= Grid point 15 (11/120) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.804 -3.160 0.000) 3.261 1.563 ( -5.745 -4.285 0.000) 7.167 2.047 ( 15.875 4.742 0.000) 16.568 2.453 ( 8.700 -5.357 0.000) 10.217 2.530 ( -6.801 2.322 0.000) 7.186 2.621 ( 9.177 -3.303 0.000) 9.754 2.986 ( 3.771 4.789 0.000) 6.095 2.990 ( -3.470 -7.763 0.000) 8.503 3.044 ( 0.983 1.540 0.000) 1.827 3.157 ( 13.777 5.314 0.000) 14.767 3.267 ( -5.894 1.477 0.000) 6.076 3.562 ( 12.662 -2.404 0.000) 12.889 3.593 ( -4.731 6.314 0.000) 7.889 3.839 ( -1.906 -5.206 0.000) 5.544 4.031 ( -4.753 5.096 0.000) 6.968 4.078 ( -6.441 0.723 0.000) 6.482 4.432 ( 16.754 3.149 0.000) 17.047 4.846 ( 4.976 9.528 0.000) 10.749 5.123 ( -10.997 -5.951 0.000) 12.504 5.313 ( -17.737 8.641 0.000) 19.730 5.790 ( -6.337 20.755 0.000) 21.701 5.990 ( -13.756 20.682 0.000) 24.839 6.280 ( -8.178 -1.934 0.000) 8.404 6.346 ( -11.007 0.196 0.000) 11.009 6.580 ( 6.201 -3.281 0.000) 7.015 6.967 ( -10.153 -1.832 0.000) 10.317 7.474 ( 1.818 -2.960 0.000) 3.474 7.585 ( -0.593 -1.415 0.000) 1.534 8.319 ( 12.761 -13.781 0.000) 18.782 8.596 ( 3.215 -11.469 0.000) 11.911 8.838 ( 10.012 3.696 0.000) 10.672 8.912 ( 7.928 4.837 0.000) 9.287 9.336 ( 11.493 3.062 0.000) 11.894 9.561 ( 2.002 1.053 0.000) 2.262 9.660 ( -3.526 3.593 0.000) 5.034 9.693 ( 10.890 -0.519 0.000) 10.902 9.805 ( -5.477 -9.303 0.000) 10.795 10.122 ( -6.811 3.366 0.000) 7.597 10.337 ( 0.265 -3.601 0.000) 3.611 10.451 ( -4.887 -0.143 0.000) 4.889 11.228 ( 10.312 -2.163 0.000) 10.536 11.670 ( -10.591 -4.342 0.000) 11.446 16.065 ( 2.508 0.255 0.000) 2.521 16.117 ( -0.550 0.763 0.000) 0.940 16.270 ( 2.730 -0.356 0.000) 2.753 16.359 ( -1.452 -0.286 0.000) 1.480 17.260 ( -0.532 -0.959 0.000) 1.097 17.323 ( -3.353 1.059 0.000) 3.516 17.689 ( 0.306 1.275 0.000) 1.311 17.852 ( -5.780 -1.336 0.000) 5.932 19.716 ( 1.197 6.614 0.000) 6.722 19.801 ( -2.895 10.106 0.000) 10.512 21.080 ( 0.350 -4.263 0.000) 4.277 21.124 ( -1.490 -2.353 0.000) 2.785 26.150 ( 0.487 0.908 0.000) 1.030 26.163 ( 0.170 0.964 0.000) 0.979 26.415 ( 0.449 -1.872 0.000) 1.925 26.447 ( -0.850 -0.624 0.000) 1.055 33.799 ( 4.632 1.624 0.000) 4.909 33.922 ( -0.905 4.301 0.000) 4.395 34.545 ( 16.383 -1.539 0.000) 16.455 35.299 ( -19.186 -5.092 0.000) 19.850 36.727 ( 6.147 4.990 0.000) 7.917 36.808 ( 2.260 5.933 0.000) 6.349 38.743 ( 21.552 -8.830 0.000) 23.291 39.316 ( -5.807 -14.569 0.000) 15.684 ======================= Grid point 16 (12/120) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -2.110 -4.131 0.000) 4.639 1.478 ( 2.110 -4.131 0.000) 4.639 2.334 ( -11.636 2.273 0.000) 11.856 2.334 ( 11.636 2.273 0.000) 11.856 2.627 ( -6.896 -7.083 0.000) 9.885 2.627 ( 6.896 -7.083 0.000) 9.885 3.047 ( -1.329 4.934 0.000) 5.110 3.047 ( 1.329 4.934 0.000) 5.110 3.082 ( -10.078 -0.419 0.000) 10.087 3.082 ( 10.078 -0.419 0.000) 10.087 3.429 ( -11.021 5.724 0.000) 12.419 3.429 ( 11.021 5.724 0.000) 12.419 3.797 ( -5.948 -3.627 0.000) 6.967 3.797 ( 5.948 -3.627 0.000) 6.967 3.926 ( -2.310 2.634 0.000) 3.503 3.926 ( 2.310 2.634 0.000) 3.503 4.832 ( -17.241 -2.421 0.000) 17.410 4.832 ( 17.241 -2.421 0.000) 17.410 5.010 ( -11.016 9.564 0.000) 14.589 5.010 ( 11.016 9.564 0.000) 14.589 5.778 ( -5.458 20.903 0.000) 21.604 5.778 ( 5.458 20.903 0.000) 21.604 6.205 ( -1.806 0.554 0.000) 1.889 6.205 ( 1.806 0.554 0.000) 1.889 6.752 ( -9.723 -3.182 0.000) 10.231 6.752 ( 9.723 -3.182 0.000) 10.231 7.540 ( -3.347 -2.735 0.000) 4.322 7.540 ( 3.347 -2.735 0.000) 4.322 8.536 ( -7.477 -12.554 0.000) 14.612 8.536 ( 7.477 -12.554 0.000) 14.612 8.977 ( -2.059 1.344 0.000) 2.458 8.977 ( 2.059 1.344 0.000) 2.458 9.588 ( -12.109 0.257 0.000) 12.111 9.588 ( 12.109 0.257 0.000) 12.111 9.602 ( -2.153 2.075 0.000) 2.990 9.602 ( 2.153 2.075 0.000) 2.990 9.951 ( -10.197 0.786 0.000) 10.227 9.951 ( 10.197 0.786 0.000) 10.227 10.366 ( -2.843 -1.563 0.000) 3.244 10.366 ( 2.843 -1.563 0.000) 3.244 11.448 ( -10.653 -3.285 0.000) 11.148 11.448 ( 10.653 -3.285 0.000) 11.148 16.101 ( -1.108 0.581 0.000) 1.251 16.101 ( 1.108 0.581 0.000) 1.251 16.321 ( -2.114 -0.361 0.000) 2.144 16.321 ( 2.114 -0.361 0.000) 2.144 17.271 ( -1.537 -0.161 0.000) 1.545 17.271 ( 1.537 -0.161 0.000) 1.545 17.741 ( -4.370 0.031 0.000) 4.370 17.741 ( 4.370 0.031 0.000) 4.370 19.750 ( -2.021 8.071 0.000) 8.320 19.750 ( 2.021 8.071 0.000) 8.320 21.096 ( -1.111 -3.388 0.000) 3.565 21.096 ( 1.111 -3.388 0.000) 3.565 26.160 ( -0.398 0.930 0.000) 1.012 26.160 ( 0.398 0.930 0.000) 1.012 26.429 ( -0.822 -1.220 0.000) 1.471 26.429 ( 0.822 -1.220 0.000) 1.471 33.880 ( -3.010 3.127 0.000) 4.341 33.880 ( 3.010 3.127 0.000) 4.341 34.908 ( -18.132 -3.375 0.000) 18.443 34.908 ( 18.132 -3.375 0.000) 18.443 36.813 ( -1.940 5.798 0.000) 6.114 36.813 ( 1.940 5.798 0.000) 6.114 39.113 ( -13.731 -10.644 0.000) 17.374 39.113 ( 13.731 -10.644 0.000) 17.374 ======================= Grid point 22 (13/120) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 18.357 0.000) 18.357 1.096 ( 0.000 25.184 0.000) 25.184 1.580 ( 0.000 -8.534 0.000) 8.534 2.161 ( 0.000 45.798 0.000) 45.798 2.336 ( 0.000 -7.221 0.000) 7.221 2.447 ( 0.000 5.545 0.000) 5.545 2.551 ( 0.000 -3.712 0.000) 3.712 2.694 ( 0.000 -1.999 0.000) 1.999 2.749 ( 0.000 12.507 0.000) 12.507 2.922 ( 0.000 -6.696 0.000) 6.696 2.947 ( 0.000 1.067 0.000) 1.067 3.156 ( 0.000 -1.020 0.000) 1.020 3.263 ( 0.000 -2.746 0.000) 2.746 3.625 ( 0.000 -0.582 0.000) 0.582 3.833 ( 0.000 -13.494 0.000) 13.494 4.849 ( 0.000 8.142 0.000) 8.142 4.887 ( 0.000 -9.693 0.000) 9.693 5.017 ( 0.000 12.542 0.000) 12.542 5.237 ( 0.000 -2.045 0.000) 2.045 6.161 ( 0.000 -15.026 0.000) 15.026 6.363 ( 0.000 -12.521 0.000) 12.521 6.378 ( 0.000 -5.068 0.000) 5.068 6.480 ( 0.000 8.993 0.000) 8.993 6.869 ( 0.000 4.790 0.000) 4.790 7.257 ( 0.000 -2.699 0.000) 2.699 7.315 ( 0.000 0.687 0.000) 0.687 7.594 ( 0.000 4.217 0.000) 4.217 7.650 ( 0.000 -7.979 0.000) 7.979 7.661 ( 0.000 12.637 0.000) 12.637 7.927 ( 0.000 8.691 0.000) 8.691 8.148 ( 0.000 -2.697 0.000) 2.697 8.614 ( 0.000 12.476 0.000) 12.476 8.870 ( 0.000 6.148 0.000) 6.148 9.413 ( 0.000 6.501 0.000) 6.501 9.501 ( 0.000 -13.292 0.000) 13.292 9.841 ( 0.000 -4.538 0.000) 4.538 10.004 ( 0.000 -8.903 0.000) 8.903 10.084 ( 0.000 -2.763 0.000) 2.763 10.246 ( 0.000 0.508 0.000) 0.508 10.496 ( 0.000 -0.757 0.000) 0.757 10.802 ( 0.000 10.794 0.000) 10.794 12.090 ( 0.000 -10.933 0.000) 10.933 15.738 ( 0.000 2.560 0.000) 2.560 15.987 ( 0.000 -2.439 0.000) 2.439 16.219 ( 0.000 2.118 0.000) 2.118 16.373 ( 0.000 -1.243 0.000) 1.243 17.602 ( 0.000 6.652 0.000) 6.652 17.709 ( 0.000 3.202 0.000) 3.202 18.080 ( 0.000 -2.560 0.000) 2.560 18.105 ( 0.000 -3.323 0.000) 3.323 19.964 ( 0.000 13.609 0.000) 13.609 20.816 ( 0.000 1.951 0.000) 1.951 21.060 ( 0.000 -6.740 0.000) 6.740 21.109 ( 0.000 -3.338 0.000) 3.338 26.096 ( 0.000 2.055 0.000) 2.055 26.166 ( 0.000 1.862 0.000) 1.862 26.407 ( 0.000 -2.657 0.000) 2.657 26.422 ( 0.000 -1.405 0.000) 1.405 33.416 ( 0.000 1.336 0.000) 1.336 33.572 ( 0.000 -3.139 0.000) 3.139 34.331 ( 0.000 17.070 0.000) 17.070 36.163 ( 0.000 -20.472 0.000) 20.472 36.211 ( 0.000 1.908 0.000) 1.908 36.316 ( 0.000 -0.283 0.000) 0.283 36.625 ( 0.000 2.897 0.000) 2.897 37.150 ( 0.000 -7.114 0.000) 7.114 ======================= Grid point 23 (14/120) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 15.187 13.485 0.000) 20.310 1.229 ( 11.816 21.284 0.000) 24.344 1.590 ( 0.800 -8.694 0.000) 8.731 2.273 ( -5.013 -6.154 0.000) 7.937 2.380 ( 17.918 32.612 0.000) 37.210 2.402 ( -3.716 4.972 0.000) 6.207 2.592 ( 3.842 -3.537 0.000) 5.222 2.664 ( 1.025 5.761 0.000) 5.852 2.855 ( 6.110 5.717 0.000) 8.368 2.967 ( 4.976 -2.697 0.000) 5.660 2.983 ( 2.192 -2.416 0.000) 3.262 3.168 ( 1.017 -1.389 0.000) 1.721 3.267 ( 0.795 -0.586 0.000) 0.988 3.651 ( 2.355 0.480 0.000) 2.404 3.840 ( 1.022 -12.894 0.000) 12.934 4.725 ( -9.196 7.776 0.000) 12.043 4.833 ( -5.454 -7.131 0.000) 8.978 5.029 ( 1.031 13.130 0.000) 13.171 5.247 ( 0.208 -2.931 0.000) 2.938 6.161 ( -0.998 -13.585 0.000) 13.622 6.266 ( -3.992 -6.025 0.000) 7.228 6.454 ( 2.628 -11.180 0.000) 11.484 6.579 ( 7.245 13.391 0.000) 15.225 6.952 ( 4.466 3.109 0.000) 5.442 7.206 ( -10.007 1.747 0.000) 10.158 7.418 ( 14.267 -1.845 0.000) 14.386 7.552 ( -4.815 6.168 0.000) 7.825 7.620 ( -2.519 8.265 0.000) 8.640 7.751 ( 3.245 2.805 0.000) 4.289 7.987 ( 12.089 -0.071 0.000) 12.089 8.038 ( -10.166 -2.265 0.000) 10.416 8.723 ( 7.557 10.584 0.000) 13.005 8.756 ( -7.037 9.480 0.000) 11.806 9.435 ( -5.232 -12.953 0.000) 13.970 9.441 ( 2.502 5.995 0.000) 6.496 9.844 ( -3.236 -8.369 0.000) 8.973 9.936 ( -3.193 -9.546 0.000) 10.066 10.058 ( -2.631 -1.184 0.000) 2.885 10.214 ( 2.448 2.012 0.000) 3.169 10.594 ( 3.919 -4.396 0.000) 5.889 10.818 ( 1.753 8.990 0.000) 9.159 12.041 ( -4.573 -10.824 0.000) 11.751 15.785 ( 4.133 2.112 0.000) 4.641 16.009 ( 1.974 -2.385 0.000) 3.096 16.218 ( -0.076 2.216 0.000) 2.217 16.375 ( 0.210 -1.152 0.000) 1.171 17.511 ( -6.291 4.838 0.000) 7.937 17.706 ( -2.658 4.108 0.000) 4.893 17.996 ( -4.892 -2.810 0.000) 5.642 18.085 ( -3.363 -1.282 0.000) 3.599 19.941 ( -1.880 13.364 0.000) 13.495 20.615 ( -14.329 11.404 0.000) 18.313 21.023 ( -2.514 -6.955 0.000) 7.395 21.128 ( 0.726 -3.517 0.000) 3.591 26.112 ( 1.429 2.060 0.000) 2.507 26.166 ( -0.018 1.824 0.000) 1.824 26.398 ( -1.289 -1.799 0.000) 2.213 26.422 ( 0.689 -2.268 0.000) 2.370 33.463 ( 4.229 1.223 0.000) 4.402 33.620 ( 4.640 -2.884 0.000) 5.464 34.328 ( -0.306 16.296 0.000) 16.299 36.070 ( -8.625 -19.237 0.000) 21.082 36.278 ( 6.255 2.628 0.000) 6.785 36.621 ( 5.130 1.160 0.000) 5.260 36.774 ( 28.101 -8.626 0.000) 29.395 37.589 ( 37.025 -21.265 0.000) 42.698 ======================= Grid point 24 (15/120) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 12.119 5.616 0.000) 13.357 1.538 ( 16.674 15.502 0.000) 22.767 1.597 ( -0.673 -9.003 0.000) 9.028 2.193 ( -0.609 -2.885 0.000) 2.949 2.324 ( -2.704 3.078 0.000) 4.097 2.651 ( 4.071 -4.084 0.000) 5.766 2.711 ( 7.636 -3.607 0.000) 8.446 2.770 ( 7.646 13.215 0.000) 15.268 2.983 ( -2.620 -8.790 0.000) 9.172 3.019 ( 10.270 7.200 0.000) 12.542 3.097 ( 3.245 1.837 0.000) 3.729 3.293 ( 16.467 7.514 0.000) 18.100 3.316 ( 3.900 4.733 0.000) 6.133 3.712 ( 3.077 2.505 0.000) 3.967 3.877 ( 2.155 -10.731 0.000) 10.945 4.524 ( -9.331 7.452 0.000) 11.941 4.673 ( -9.520 -3.502 0.000) 10.144 5.049 ( 0.660 14.275 0.000) 14.291 5.226 ( -2.660 -6.589 0.000) 7.106 6.065 ( -7.998 -4.238 0.000) 9.051 6.241 ( 0.685 -7.729 0.000) 7.760 6.478 ( -0.237 -11.399 0.000) 11.401 6.635 ( -2.627 22.335 0.000) 22.489 6.928 ( -15.554 1.749 0.000) 15.652 7.022 ( -1.295 13.274 0.000) 13.337 7.401 ( -8.900 6.675 0.000) 11.125 7.571 ( -2.962 0.661 0.000) 3.035 7.672 ( 8.122 2.397 0.000) 8.468 7.769 ( -13.436 0.043 0.000) 13.436 7.863 ( 12.235 -1.639 0.000) 12.344 8.377 ( 20.164 0.168 0.000) 20.165 8.639 ( 1.014 4.845 0.000) 4.950 8.944 ( 9.798 8.808 0.000) 13.175 9.346 ( -1.216 -10.905 0.000) 10.972 9.502 ( 3.024 4.866 0.000) 5.729 9.700 ( -6.151 -11.727 0.000) 13.242 9.973 ( -5.308 1.749 0.000) 5.589 9.980 ( 3.790 -12.215 0.000) 12.789 10.294 ( 3.767 0.847 0.000) 3.861 10.606 ( -2.322 -5.057 0.000) 5.565 10.885 ( 4.767 4.948 0.000) 6.871 11.910 ( -7.673 -10.356 0.000) 12.889 15.891 ( 5.554 1.244 0.000) 5.691 16.062 ( 2.888 -2.111 0.000) 3.577 16.218 ( 0.096 2.290 0.000) 2.292 16.378 ( -0.043 -0.965 0.000) 0.966 17.385 ( -5.403 2.824 0.000) 6.096 17.591 ( -7.178 2.094 0.000) 7.477 17.894 ( -5.422 0.748 0.000) 5.473 17.999 ( -3.970 -1.457 0.000) 4.228 19.904 ( -1.286 12.685 0.000) 12.750 20.354 ( -10.014 16.376 0.000) 19.195 20.975 ( -1.896 -7.706 0.000) 7.936 21.126 ( -0.927 -3.724 0.000) 3.838 26.147 ( 1.746 1.898 0.000) 2.579 26.166 ( 0.029 1.656 0.000) 1.656 26.373 ( -0.887 -1.932 0.000) 2.126 26.436 ( 0.449 -2.195 0.000) 2.240 33.577 ( 6.356 1.267 0.000) 6.481 33.763 ( 8.767 -2.198 0.000) 9.038 34.322 ( -0.095 13.868 0.000) 13.868 35.824 ( -14.312 -16.150 0.000) 21.579 36.456 ( 10.321 4.631 0.000) 11.313 36.738 ( 6.839 6.407 0.000) 9.372 37.394 ( 29.807 -12.040 0.000) 32.147 38.347 ( 29.989 -33.155 0.000) 44.705 ======================= Grid point 25 (16/120) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -0.777 -2.134 0.000) 2.271 1.543 ( -4.553 -8.656 0.000) 9.781 1.889 ( 16.131 11.650 0.000) 19.898 2.258 ( 3.535 0.253 0.000) 3.544 2.369 ( 9.501 0.644 0.000) 9.523 2.675 ( -1.627 -1.424 0.000) 2.162 2.880 ( 4.670 1.257 0.000) 4.837 2.891 ( -4.678 -9.655 0.000) 10.728 2.907 ( 10.131 -4.562 0.000) 11.110 3.141 ( 3.776 9.020 0.000) 9.778 3.256 ( 10.991 -0.804 0.000) 11.021 3.399 ( 3.068 7.750 0.000) 8.335 3.678 ( 11.546 1.844 0.000) 11.692 3.756 ( 0.470 3.896 0.000) 3.924 3.950 ( 7.528 -1.767 0.000) 7.732 4.371 ( -4.542 7.476 0.000) 8.748 4.448 ( -11.052 -0.469 0.000) 11.062 5.058 ( 0.653 14.687 0.000) 14.701 5.123 ( -7.009 -10.147 0.000) 12.333 5.839 ( -13.207 4.945 0.000) 14.103 6.271 ( 1.761 -6.505 0.000) 6.739 6.444 ( -3.113 -7.506 0.000) 8.126 6.515 ( -7.728 29.429 0.000) 30.427 6.604 ( -13.907 0.181 0.000) 13.908 6.839 ( -13.905 25.669 0.000) 29.194 7.185 ( -12.077 0.931 0.000) 12.113 7.448 ( -6.519 -3.255 0.000) 7.286 7.601 ( -3.252 1.235 0.000) 3.479 7.841 ( 9.114 -4.950 0.000) 10.371 8.165 ( 13.142 -9.218 0.000) 16.053 8.716 ( 11.121 3.155 0.000) 11.559 8.807 ( 11.789 3.697 0.000) 12.355 9.102 ( 7.870 -2.682 0.000) 8.314 9.461 ( 11.228 -0.448 0.000) 11.237 9.560 ( 2.393 3.750 0.000) 4.448 9.616 ( -2.109 -12.667 0.000) 12.841 9.851 ( -5.953 3.341 0.000) 6.826 10.049 ( 2.454 -11.822 0.000) 12.074 10.345 ( 0.873 1.627 0.000) 1.846 10.524 ( -4.978 -3.981 0.000) 6.374 11.013 ( 7.218 1.064 0.000) 7.296 11.734 ( -8.924 -9.238 0.000) 12.844 15.999 ( 4.496 0.709 0.000) 4.552 16.116 ( 1.851 -1.013 0.000) 2.110 16.228 ( 1.096 1.494 0.000) 1.853 16.371 ( -0.704 -0.817 0.000) 1.079 17.294 ( -3.231 1.202 0.000) 3.447 17.444 ( -6.327 0.541 0.000) 6.350 17.782 ( -4.601 2.503 0.000) 5.238 17.916 ( -4.234 -1.968 0.000) 4.669 19.895 ( 0.408 12.184 0.000) 12.191 20.185 ( -6.636 15.843 0.000) 17.177 20.949 ( -0.477 -7.988 0.000) 8.002 21.092 ( -2.193 -4.511 0.000) 5.016 26.168 ( 0.248 1.540 0.000) 1.560 26.178 ( 1.058 1.661 0.000) 1.969 26.364 ( -0.014 -2.088 0.000) 2.088 26.437 ( -0.389 -1.897 0.000) 1.936 33.717 ( 6.846 2.158 0.000) 7.178 33.952 ( 7.840 0.280 0.000) 7.845 34.345 ( 3.477 8.182 0.000) 8.890 35.497 ( -16.513 -12.455 0.000) 20.683 36.683 ( 10.668 7.155 0.000) 12.845 36.883 ( 6.379 8.987 0.000) 11.021 37.997 ( 27.075 -12.585 0.000) 29.857 38.790 ( 13.008 -28.273 0.000) 31.122 ======================= Grid point 26 (17/120) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -2.913 -5.689 0.000) 6.391 1.431 ( -5.264 -7.963 0.000) 9.546 2.190 ( 12.414 8.638 0.000) 15.123 2.345 ( 5.428 -3.662 0.000) 6.548 2.560 ( 2.270 -3.732 0.000) 4.369 2.581 ( -6.744 2.007 0.000) 7.037 2.853 ( 5.864 -3.947 0.000) 7.068 3.012 ( 7.891 0.867 0.000) 7.939 3.119 ( 7.109 -4.738 0.000) 8.543 3.230 ( 2.634 12.532 0.000) 12.806 3.430 ( 1.150 9.539 0.000) 9.608 3.480 ( 10.258 -5.595 0.000) 11.685 3.709 ( -5.138 4.225 0.000) 6.652 3.737 ( 0.577 -3.943 0.000) 3.985 4.047 ( -4.171 -1.591 0.000) 4.464 4.183 ( -10.621 7.480 0.000) 12.990 4.488 ( 12.748 1.612 0.000) 12.850 4.956 ( -8.572 -9.655 0.000) 12.911 5.106 ( 4.659 14.419 0.000) 15.153 5.544 ( -14.277 12.091 0.000) 18.709 6.242 ( -4.226 -1.527 0.000) 4.494 6.334 ( -7.261 -1.458 0.000) 7.406 6.364 ( -5.233 32.025 0.000) 32.450 6.493 ( 4.746 -4.231 0.000) 6.358 6.539 ( -13.040 29.306 0.000) 32.076 6.915 ( -12.914 -3.343 0.000) 13.340 7.398 ( 1.247 -3.765 0.000) 3.966 7.539 ( -3.308 -3.013 0.000) 4.475 8.056 ( 10.830 -10.262 0.000) 14.920 8.329 ( 1.812 -12.292 0.000) 12.425 8.868 ( 5.558 -1.672 0.000) 5.804 8.988 ( 4.001 0.411 0.000) 4.022 9.336 ( 12.182 -2.411 0.000) 12.418 9.587 ( -0.724 -9.581 0.000) 9.608 9.606 ( 2.180 3.110 0.000) 3.798 9.737 ( 13.127 3.682 0.000) 13.633 9.738 ( -4.630 3.412 0.000) 5.751 10.068 ( -1.153 -7.784 0.000) 7.869 10.336 ( -1.156 2.476 0.000) 2.733 10.418 ( -4.782 -2.589 0.000) 5.437 11.178 ( 8.375 -2.106 0.000) 8.636 11.545 ( -9.037 -7.353 0.000) 11.650 16.075 ( 2.747 0.718 0.000) 2.839 16.133 ( -0.105 0.572 0.000) 0.582 16.265 ( 2.193 -0.046 0.000) 2.194 16.348 ( -1.460 -0.742 0.000) 1.638 17.253 ( -0.624 0.269 0.000) 0.679 17.334 ( -4.236 -0.019 0.000) 4.236 17.722 ( -0.925 1.749 0.000) 1.978 17.823 ( -4.481 -1.285 0.000) 4.662 19.921 ( 2.039 12.372 0.000) 12.539 20.066 ( -4.870 14.463 0.000) 15.260 20.955 ( 1.022 -7.629 0.000) 7.697 21.040 ( -2.597 -5.637 0.000) 6.206 26.176 ( 0.496 1.491 0.000) 1.571 26.191 ( 0.137 1.618 0.000) 1.624 26.372 ( 0.799 -2.067 0.000) 2.216 26.420 ( -1.098 -1.799 0.000) 2.108 33.856 ( 6.269 3.749 0.000) 7.304 34.030 ( -0.407 5.293 0.000) 5.309 34.512 ( 12.180 -1.007 0.000) 12.221 35.148 ( -16.588 -8.996 0.000) 18.870 36.878 ( 7.560 9.222 0.000) 11.925 36.982 ( 2.693 10.276 0.000) 10.623 38.494 ( 19.968 -14.044 0.000) 24.412 38.923 ( 0.262 -21.612 0.000) 21.613 ======================= Grid point 27 (18/120) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -1.401 -7.218 0.000) 7.353 1.356 ( 1.401 -7.218 0.000) 7.353 2.413 ( -9.240 5.335 0.000) 10.669 2.413 ( 9.240 5.335 0.000) 10.669 2.476 ( -6.571 -6.522 0.000) 9.258 2.476 ( 6.571 -6.522 0.000) 9.258 3.072 ( -10.124 -0.428 0.000) 10.133 3.072 ( 10.124 -0.428 0.000) 10.133 3.178 ( -6.818 6.215 0.000) 9.225 3.178 ( 6.818 6.215 0.000) 9.225 3.550 ( -9.053 5.264 0.000) 10.473 3.550 ( 9.053 5.264 0.000) 10.473 3.692 ( -8.805 -5.800 0.000) 10.543 3.692 ( 8.805 -5.800 0.000) 10.543 4.000 ( -5.742 4.806 0.000) 7.488 4.000 ( 5.742 4.806 0.000) 7.488 4.756 ( -11.176 -4.944 0.000) 12.221 4.756 ( 11.176 -4.944 0.000) 12.221 5.271 ( -11.064 14.413 0.000) 18.170 5.271 ( 11.064 14.413 0.000) 18.170 6.218 ( -2.784 0.510 0.000) 2.830 6.218 ( 2.784 0.510 0.000) 2.830 6.348 ( -4.370 31.308 0.000) 31.611 6.348 ( 4.370 31.308 0.000) 31.611 6.666 ( -10.553 -4.588 0.000) 11.507 6.666 ( 10.553 -4.588 0.000) 11.507 7.460 ( -3.927 -4.666 0.000) 6.099 7.460 ( 3.927 -4.666 0.000) 6.099 8.257 ( -7.562 -12.389 0.000) 14.514 8.257 ( 7.562 -12.389 0.000) 14.515 8.977 ( -4.007 -3.134 0.000) 5.087 8.977 ( 4.007 -3.134 0.000) 5.087 9.530 ( -5.719 -3.903 0.000) 6.924 9.530 ( 5.719 -3.903 0.000) 6.924 9.659 ( -3.058 3.071 0.000) 4.334 9.659 ( 3.058 3.071 0.000) 4.334 9.972 ( -8.365 -0.339 0.000) 8.372 9.972 ( 8.365 -0.339 0.000) 8.372 10.339 ( -2.186 -0.284 0.000) 2.205 10.339 ( 2.186 -0.284 0.000) 2.205 11.358 ( -8.812 -4.894 0.000) 10.079 11.358 ( 8.812 -4.894 0.000) 10.079 16.117 ( -1.367 0.915 0.000) 1.645 16.117 ( 1.367 0.915 0.000) 1.645 16.311 ( -2.073 -0.619 0.000) 2.163 16.311 ( 2.073 -0.619 0.000) 2.163 17.268 ( -2.016 -0.093 0.000) 2.018 17.268 ( 2.016 -0.093 0.000) 2.018 17.743 ( -2.758 0.159 0.000) 2.763 17.743 ( 2.758 0.159 0.000) 2.763 19.979 ( -3.482 13.207 0.000) 13.658 19.979 ( 3.482 13.207 0.000) 13.658 20.989 ( -2.144 -6.769 0.000) 7.100 20.989 ( 2.144 -6.769 0.000) 7.100 26.186 ( -0.456 1.563 0.000) 1.628 26.186 ( 0.456 1.563 0.000) 1.628 26.395 ( -1.264 -1.919 0.000) 2.298 26.395 ( 1.264 -1.919 0.000) 2.298 33.971 ( -4.530 5.386 0.000) 7.038 33.971 ( 4.530 5.386 0.000) 7.038 34.810 ( -15.604 -5.726 0.000) 16.621 34.810 ( 15.604 -5.726 0.000) 16.621 36.985 ( -2.518 10.316 0.000) 10.618 36.985 ( 2.518 10.316 0.000) 10.618 38.814 ( -10.428 -16.864 0.000) 19.828 38.814 ( 10.428 -16.864 0.000) 19.828 ======================= Grid point 33 (19/120) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 13.697 0.000) 13.697 1.448 ( 0.000 -4.247 0.000) 4.247 1.599 ( 0.000 22.770 0.000) 22.770 2.201 ( 0.000 -4.233 0.000) 4.233 2.387 ( 0.000 -9.922 0.000) 9.922 2.402 ( 0.000 -14.756 0.000) 14.756 2.588 ( 0.000 7.541 0.000) 7.541 2.897 ( 0.000 5.502 0.000) 5.502 2.901 ( 0.000 -5.697 0.000) 5.697 2.968 ( 0.000 8.343 0.000) 8.343 3.120 ( 0.000 -1.604 0.000) 1.604 3.180 ( 0.000 38.372 0.000) 38.372 3.315 ( 0.000 6.683 0.000) 6.683 3.529 ( 0.000 -14.285 0.000) 14.285 3.582 ( 0.000 -3.728 0.000) 3.728 4.546 ( 0.000 -22.538 0.000) 22.538 5.026 ( 0.000 8.344 0.000) 8.344 5.232 ( 0.000 -0.239 0.000) 0.239 5.283 ( 0.000 12.724 0.000) 12.724 5.843 ( 0.000 -14.874 0.000) 14.874 6.183 ( 0.000 -4.486 0.000) 4.486 6.262 ( 0.000 -5.628 0.000) 5.628 6.676 ( 0.000 9.225 0.000) 9.225 6.924 ( 0.000 -0.135 0.000) 0.135 7.214 ( 0.000 -0.051 0.000) 0.051 7.357 ( 0.000 3.672 0.000) 3.672 7.472 ( 0.000 -8.916 0.000) 8.916 7.578 ( 0.000 -4.478 0.000) 4.478 7.918 ( 0.000 10.862 0.000) 10.862 8.131 ( 0.000 -0.187 0.000) 0.187 8.222 ( 0.000 18.911 0.000) 18.911 8.852 ( 0.000 8.305 0.000) 8.305 8.992 ( 0.000 4.938 0.000) 4.938 9.163 ( 0.000 -17.626 0.000) 17.626 9.560 ( 0.000 7.668 0.000) 7.668 9.724 ( 0.000 -5.182 0.000) 5.182 9.815 ( 0.000 -8.576 0.000) 8.576 9.942 ( 0.000 -9.364 0.000) 9.364 10.299 ( 0.000 3.857 0.000) 3.857 10.458 ( 0.000 -2.799 0.000) 2.799 11.110 ( 0.000 17.166 0.000) 17.166 11.818 ( 0.000 -14.928 0.000) 14.928 15.799 ( 0.000 3.147 0.000) 3.147 15.931 ( 0.000 -2.925 0.000) 2.925 16.263 ( 0.000 2.083 0.000) 2.083 16.342 ( 0.000 -1.633 0.000) 1.633 17.735 ( 0.000 5.702 0.000) 5.702 17.781 ( 0.000 3.302 0.000) 3.302 18.019 ( 0.000 -3.014 0.000) 3.014 18.031 ( 0.000 -3.503 0.000) 3.503 20.281 ( 0.000 16.010 0.000) 16.010 20.868 ( 0.000 1.017 0.000) 1.017 20.877 ( 0.000 -8.830 0.000) 8.830 21.030 ( 0.000 -4.090 0.000) 4.090 26.144 ( 0.000 2.414 0.000) 2.414 26.199 ( 0.000 0.901 0.000) 0.901 26.358 ( 0.000 -1.595 0.000) 1.595 26.387 ( 0.000 -1.784 0.000) 1.784 33.447 ( 0.000 1.554 0.000) 1.554 33.519 ( 0.000 -2.069 0.000) 2.069 34.729 ( 0.000 20.862 0.000) 20.862 35.693 ( 0.000 -23.790 0.000) 23.790 36.252 ( 0.000 1.932 0.000) 1.932 36.308 ( 0.000 -0.631 0.000) 0.631 36.705 ( 0.000 4.853 0.000) 4.853 36.988 ( 0.000 -8.008 0.000) 8.008 ======================= Grid point 34 (20/120) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 8.104 9.955 0.000) 12.836 1.457 ( 0.520 -4.025 0.000) 4.058 1.672 ( 6.742 20.658 0.000) 21.730 2.170 ( -2.082 -2.334 0.000) 3.128 2.406 ( 1.292 -8.991 0.000) 9.083 2.417 ( 1.655 -13.730 0.000) 13.829 2.556 ( -2.014 6.105 0.000) 6.429 2.875 ( -2.586 -7.255 0.000) 7.702 2.953 ( 5.117 4.789 0.000) 7.008 2.985 ( 1.552 11.121 0.000) 11.229 3.124 ( 0.803 -2.270 0.000) 2.408 3.318 ( 11.326 30.183 0.000) 32.238 3.360 ( 4.163 7.610 0.000) 8.675 3.554 ( 3.112 -11.643 0.000) 12.052 3.625 ( 3.852 -3.109 0.000) 4.950 4.529 ( -1.759 -19.567 0.000) 19.646 4.921 ( -8.364 8.628 0.000) 12.017 5.197 ( -3.864 -3.059 0.000) 4.928 5.308 ( 2.105 13.248 0.000) 13.414 5.867 ( 1.896 -14.117 0.000) 14.244 6.158 ( -1.761 -3.082 0.000) 3.549 6.269 ( 0.306 -7.066 0.000) 7.073 6.856 ( 15.491 10.713 0.000) 18.835 6.986 ( 3.991 1.850 0.000) 4.399 7.272 ( -8.156 4.780 0.000) 9.454 7.365 ( 14.234 -0.919 0.000) 14.263 7.534 ( -4.479 -5.385 0.000) 7.004 7.722 ( 21.342 -7.932 0.000) 22.768 7.831 ( -7.496 9.773 0.000) 12.317 8.028 ( -9.237 -0.002 0.000) 9.237 8.162 ( -4.476 17.988 0.000) 18.536 8.927 ( -2.762 9.137 0.000) 9.545 8.963 ( 6.890 5.896 0.000) 9.068 9.097 ( -6.247 -17.097 0.000) 18.202 9.583 ( 1.947 7.539 0.000) 7.786 9.671 ( -6.040 -6.838 0.000) 9.124 9.750 ( -3.880 -8.339 0.000) 9.198 9.946 ( 0.067 -8.267 0.000) 8.268 10.280 ( 0.328 4.153 0.000) 4.166 10.491 ( 1.210 -5.283 0.000) 5.420 11.092 ( -1.427 15.924 0.000) 15.988 11.772 ( -4.175 -14.652 0.000) 15.235 15.836 ( 3.322 2.713 0.000) 4.289 15.955 ( 2.190 -2.756 0.000) 3.520 16.265 ( 0.104 2.194 0.000) 2.196 16.346 ( 0.316 -1.617 0.000) 1.647 17.615 ( -7.725 4.915 0.000) 9.156 17.756 ( -5.733 0.059 0.000) 5.733 17.961 ( -1.572 0.127 0.000) 1.577 18.048 ( -1.531 -2.189 0.000) 2.671 20.252 ( -2.392 15.726 0.000) 15.906 20.795 ( -6.169 6.644 0.000) 9.067 20.838 ( -2.980 -10.573 0.000) 10.985 21.038 ( 0.156 -4.936 0.000) 4.938 26.158 ( 1.280 2.290 0.000) 2.624 26.200 ( 0.064 1.161 0.000) 1.163 26.358 ( -0.360 -1.660 0.000) 1.699 26.378 ( -0.355 -1.884 0.000) 1.917 33.493 ( 4.245 1.611 0.000) 4.540 33.569 ( 4.807 -2.093 0.000) 5.242 34.708 ( -1.956 19.956 0.000) 20.051 35.626 ( -6.185 -22.526 0.000) 23.360 36.341 ( 8.238 3.368 0.000) 8.900 36.526 ( 16.791 -6.135 0.000) 17.877 36.807 ( 11.598 7.197 0.000) 13.650 37.247 ( 22.248 -13.510 0.000) 26.028 ======================= Grid point 35 (21/120) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 2.937 1.531 0.000) 3.312 1.451 ( -1.478 -4.410 0.000) 4.651 1.867 ( 11.480 15.673 0.000) 19.428 2.181 ( 4.790 2.532 0.000) 5.417 2.391 ( -2.682 1.244 0.000) 2.956 2.469 ( 3.133 -11.988 0.000) 12.391 2.589 ( 6.136 -4.704 0.000) 7.732 2.797 ( -4.636 -8.717 0.000) 9.874 3.012 ( 0.577 10.833 0.000) 10.848 3.087 ( 6.804 3.273 0.000) 7.550 3.182 ( 5.662 1.666 0.000) 5.902 3.472 ( 5.942 8.566 0.000) 10.425 3.523 ( 6.091 -1.968 0.000) 6.401 3.721 ( 4.650 -1.844 0.000) 5.003 3.732 ( 14.393 10.751 0.000) 17.965 4.465 ( -4.503 -11.956 0.000) 12.776 4.730 ( -9.119 7.801 0.000) 12.000 5.075 ( -7.476 -7.808 0.000) 10.810 5.352 ( 1.679 14.338 0.000) 14.436 5.895 ( 0.019 -11.093 0.000) 11.093 6.137 ( 0.313 -1.983 0.000) 2.008 6.273 ( 0.405 -7.978 0.000) 7.989 7.022 ( -15.208 6.875 0.000) 16.689 7.065 ( 4.360 13.313 0.000) 14.008 7.197 ( 11.927 7.304 0.000) 13.985 7.376 ( -10.871 -7.509 0.000) 13.212 7.649 ( -9.232 6.692 0.000) 11.402 7.682 ( 12.767 1.211 0.000) 12.824 7.797 ( -11.226 0.696 0.000) 11.247 8.049 ( 0.003 19.008 0.000) 19.008 8.273 ( 23.025 -10.881 0.000) 25.467 8.836 ( -3.981 10.417 0.000) 11.152 8.948 ( -4.009 -12.838 0.000) 13.450 9.189 ( 11.754 0.418 0.000) 11.762 9.505 ( -6.414 -5.164 0.000) 8.234 9.627 ( 1.990 6.908 0.000) 7.189 9.733 ( 1.469 -11.218 0.000) 11.314 9.930 ( -1.904 -5.398 0.000) 5.724 10.318 ( 2.540 1.622 0.000) 3.014 10.482 ( -1.878 -6.091 0.000) 6.374 11.069 ( -0.298 12.105 0.000) 12.109 11.656 ( -6.546 -13.601 0.000) 15.094 15.924 ( 4.738 1.855 0.000) 5.088 16.016 ( 3.395 -2.324 0.000) 4.115 16.267 ( 0.057 2.344 0.000) 2.344 16.352 ( 0.091 -1.565 0.000) 1.568 17.456 ( -7.015 3.766 0.000) 7.962 17.592 ( -8.483 -1.722 0.000) 8.657 17.921 ( -3.162 1.718 0.000) 3.598 17.978 ( -4.405 -0.840 0.000) 4.484 20.202 ( -1.964 15.134 0.000) 15.261 20.649 ( -7.283 11.867 0.000) 13.924 20.779 ( -2.363 -11.029 0.000) 11.280 21.021 ( -1.846 -6.269 0.000) 6.535 26.189 ( 1.381 1.849 0.000) 2.308 26.200 ( -0.025 1.476 0.000) 1.476 26.340 ( -0.836 -1.044 0.000) 1.338 26.384 ( 0.506 -2.570 0.000) 2.619 33.614 ( 7.049 2.137 0.000) 7.366 33.715 ( 8.891 -2.417 0.000) 9.214 34.651 ( -3.400 17.418 0.000) 17.747 35.448 ( -10.517 -19.284 0.000) 21.966 36.574 ( 13.285 6.545 0.000) 14.810 36.835 ( 12.463 -0.046 0.000) 12.463 37.224 ( 25.685 -0.471 0.000) 25.689 37.782 ( 25.853 -21.950 0.000) 33.914 ======================= Grid point 36 (22/120) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -4.862 -3.898 0.000) 6.232 1.381 ( -5.229 -5.646 0.000) 7.695 2.131 ( 13.177 11.084 0.000) 17.218 2.306 ( 0.869 3.906 0.000) 4.002 2.403 ( 7.938 1.924 0.000) 8.168 2.541 ( 3.537 -8.729 0.000) 9.419 2.706 ( -1.617 -6.630 0.000) 6.825 2.782 ( 10.799 -6.753 0.000) 12.737 3.015 ( 0.280 9.009 0.000) 9.014 3.228 ( 6.758 0.588 0.000) 6.784 3.344 ( 8.456 6.163 0.000) 10.464 3.580 ( 3.641 8.479 0.000) 9.228 3.611 ( 2.804 -7.409 0.000) 7.922 3.791 ( 1.361 -0.663 0.000) 1.514 4.019 ( 9.512 8.043 0.000) 12.457 4.363 ( -3.270 -4.962 0.000) 5.943 4.556 ( -7.506 7.316 0.000) 10.481 4.901 ( -8.535 -10.406 0.000) 13.458 5.372 ( 0.656 14.813 0.000) 14.828 5.850 ( -4.102 -4.960 0.000) 6.437 6.178 ( 3.379 -1.643 0.000) 3.758 6.291 ( 0.785 -6.415 0.000) 6.463 6.681 ( -15.877 7.354 0.000) 17.498 7.097 ( -14.661 -8.602 0.000) 16.998 7.103 ( -1.842 21.804 0.000) 21.882 7.270 ( -4.521 14.442 0.000) 15.133 7.462 ( -7.995 3.771 0.000) 8.840 7.602 ( -7.569 -1.260 0.000) 7.674 7.825 ( 3.223 3.549 0.000) 4.794 8.110 ( 5.711 8.563 0.000) 10.293 8.670 ( 8.384 -17.407 0.000) 19.321 8.738 ( 0.768 -6.232 0.000) 6.280 9.080 ( 13.370 5.310 0.000) 14.386 9.365 ( 4.662 -6.428 0.000) 7.941 9.543 ( 10.679 2.869 0.000) 11.058 9.660 ( 1.203 5.631 0.000) 5.758 9.792 ( 3.872 -11.922 0.000) 12.535 9.866 ( -3.886 -2.007 0.000) 4.374 10.363 ( 1.501 0.249 0.000) 1.521 10.428 ( -2.926 -4.199 0.000) 5.118 11.091 ( 2.389 6.598 0.000) 7.017 11.514 ( -6.776 -11.373 0.000) 13.239 16.020 ( 4.206 1.270 0.000) 4.394 16.086 ( 3.112 -1.656 0.000) 3.525 16.267 ( 0.052 2.094 0.000) 2.094 16.347 ( -0.580 -1.459 0.000) 1.570 17.334 ( -4.555 2.440 0.000) 5.167 17.432 ( -6.511 -1.546 0.000) 6.692 17.832 ( -4.638 2.066 0.000) 5.077 17.886 ( -4.332 -1.031 0.000) 4.453 20.182 ( 0.113 14.622 0.000) 14.623 20.503 ( -6.582 14.088 0.000) 15.550 20.749 ( -0.399 -11.129 0.000) 11.136 20.965 ( -3.401 -7.708 0.000) 8.425 26.200 ( 0.199 1.461 0.000) 1.475 26.214 ( 0.863 1.433 0.000) 1.673 26.331 ( -0.094 -0.812 0.000) 0.818 26.389 ( -0.142 -2.529 0.000) 2.533 33.777 ( 8.310 3.406 0.000) 8.981 33.922 ( 10.321 -2.717 0.000) 10.672 34.575 ( -3.438 13.264 0.000) 13.703 35.203 ( -12.524 -15.189 0.000) 19.687 36.859 ( 13.210 9.464 0.000) 16.250 37.064 ( 9.197 6.273 0.000) 11.133 37.767 ( 24.736 -6.589 0.000) 25.598 38.240 ( 16.915 -23.506 0.000) 28.960 ======================= Grid point 37 (23/120) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -4.732 -5.305 0.000) 7.109 1.267 ( -4.952 -6.661 0.000) 8.300 2.315 ( 1.481 0.615 0.000) 1.603 2.384 ( 10.338 9.163 0.000) 13.814 2.458 ( -3.304 -5.316 0.000) 6.260 2.597 ( 0.846 -0.770 0.000) 1.144 2.839 ( 12.715 2.009 0.000) 12.873 3.013 ( 9.397 -5.173 0.000) 10.727 3.060 ( 5.000 3.796 0.000) 6.278 3.335 ( 0.802 -7.377 0.000) 7.421 3.478 ( 4.827 8.977 0.000) 10.192 3.606 ( -0.643 7.091 0.000) 7.120 3.669 ( 2.861 -3.015 0.000) 4.156 3.757 ( -4.621 0.248 0.000) 4.628 4.055 ( -1.832 4.252 0.000) 4.630 4.326 ( -6.699 3.919 0.000) 7.761 4.488 ( 4.797 -0.522 0.000) 4.826 4.746 ( -6.133 -9.636 0.000) 11.422 5.416 ( 4.374 14.463 0.000) 15.110 5.738 ( -6.846 4.124 0.000) 7.993 6.221 ( -1.336 -0.403 0.000) 1.395 6.280 ( -2.188 -3.356 0.000) 4.006 6.467 ( -1.145 3.243 0.000) 3.440 6.809 ( -12.388 -7.216 0.000) 14.336 7.011 ( -4.905 25.977 0.000) 26.436 7.101 ( -9.073 21.502 0.000) 23.338 7.347 ( -2.414 -0.477 0.000) 2.461 7.463 ( -5.915 -4.106 0.000) 7.200 7.933 ( 7.152 0.097 0.000) 7.153 8.178 ( -0.866 0.185 0.000) 0.886 8.683 ( 2.796 -16.227 0.000) 16.466 8.839 ( 0.358 -14.282 0.000) 14.287 9.362 ( 11.625 5.308 0.000) 12.779 9.484 ( 5.416 0.392 0.000) 5.431 9.683 ( 1.188 3.991 0.000) 4.164 9.782 ( 9.913 -0.537 0.000) 9.928 9.783 ( -3.756 0.526 0.000) 3.793 9.874 ( 3.446 -9.462 0.000) 10.070 10.371 ( -1.363 -0.624 0.000) 1.499 10.377 ( -0.994 0.458 0.000) 1.094 11.163 ( 4.287 1.146 0.000) 4.437 11.380 ( -5.995 -7.937 0.000) 9.947 16.094 ( 2.806 1.081 0.000) 3.007 16.135 ( 1.265 -0.444 0.000) 1.341 16.274 ( 0.696 0.918 0.000) 1.151 16.327 ( -1.257 -1.217 0.000) 1.749 17.269 ( -1.589 1.193 0.000) 1.987 17.323 ( -3.947 -0.950 0.000) 4.060 17.756 ( -2.178 1.473 0.000) 2.629 17.801 ( -3.619 -0.883 0.000) 3.725 20.207 ( 2.291 14.425 0.000) 14.605 20.376 ( -5.509 14.582 0.000) 15.588 20.762 ( 1.630 -10.785 0.000) 10.908 20.887 ( -3.801 -9.019 0.000) 9.787 26.208 ( 0.576 1.555 0.000) 1.658 26.225 ( 0.186 1.412 0.000) 1.424 26.336 ( 0.558 -1.188 0.000) 1.312 26.377 ( -0.936 -2.234 0.000) 2.422 33.950 ( 7.918 4.966 0.000) 9.346 34.099 ( 4.862 0.394 0.000) 4.878 34.544 ( 1.922 4.911 0.000) 5.274 34.936 ( -12.747 -10.926 0.000) 16.789 37.096 ( 8.935 10.985 0.000) 14.160 37.204 ( 3.902 9.492 0.000) 10.262 38.212 ( 17.075 -10.909 0.000) 20.262 38.473 ( 5.276 -20.087 0.000) 20.768 ======================= Grid point 38 (24/120) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.440 -6.321 0.000) 6.337 1.204 ( 0.440 -6.321 0.000) 6.337 2.373 ( -3.850 -3.263 0.000) 5.047 2.373 ( 3.850 -3.263 0.000) 5.047 2.549 ( -5.310 7.073 0.000) 8.844 2.549 ( 5.310 7.073 0.000) 8.844 3.066 ( -5.901 -0.163 0.000) 5.904 3.066 ( 5.901 -0.163 0.000) 5.904 3.221 ( -8.903 -3.176 0.000) 9.453 3.221 ( 8.903 -3.176 0.000) 9.453 3.620 ( -7.165 -0.064 0.000) 7.166 3.620 ( 7.165 -0.064 0.000) 7.166 3.635 ( -5.004 2.746 0.000) 5.708 3.635 ( 5.004 2.746 0.000) 5.708 4.135 ( -9.014 7.910 0.000) 11.993 4.135 ( 9.014 7.910 0.000) 11.993 4.623 ( -6.266 -7.558 0.000) 9.818 4.623 ( 6.266 -7.558 0.000) 9.818 5.562 ( -8.963 12.081 0.000) 15.042 5.562 ( 8.963 12.081 0.000) 15.042 6.213 ( -2.356 -1.175 0.000) 2.633 6.213 ( 2.356 -1.175 0.000) 2.633 6.583 ( -9.176 -2.823 0.000) 9.600 6.583 ( 9.176 -2.823 0.000) 9.600 6.973 ( -2.159 25.070 0.000) 25.163 6.973 ( 2.159 25.070 0.000) 25.163 7.362 ( -3.329 -4.211 0.000) 5.368 7.362 ( 3.329 -4.211 0.000) 5.368 8.087 ( -6.740 -2.164 0.000) 7.079 8.087 ( 6.740 -2.164 0.000) 7.079 8.779 ( -4.885 -15.253 0.000) 16.016 8.779 ( 4.885 -15.253 0.000) 16.016 9.518 ( -2.906 3.064 0.000) 4.223 9.518 ( 2.906 3.064 0.000) 4.223 9.718 ( -2.350 2.318 0.000) 3.300 9.718 ( 2.350 2.318 0.000) 3.300 9.905 ( -1.566 -5.377 0.000) 5.601 9.905 ( 1.566 -5.377 0.000) 5.601 10.359 ( -0.574 1.498 0.000) 1.604 10.359 ( 0.574 1.498 0.000) 1.604 11.263 ( -5.215 -3.682 0.000) 6.384 11.263 ( 5.215 -3.682 0.000) 6.384 16.135 ( -1.093 0.755 0.000) 1.329 16.135 ( 1.094 0.755 0.000) 1.329 16.298 ( -1.461 -0.556 0.000) 1.564 16.298 ( 1.461 -0.556 0.000) 1.564 17.267 ( -1.349 0.015 0.000) 1.349 17.267 ( 1.349 0.015 0.000) 1.349 17.747 ( -1.249 0.176 0.000) 1.261 17.747 ( 1.249 0.176 0.000) 1.261 20.275 ( -4.103 14.505 0.000) 15.074 20.275 ( 4.103 14.505 0.000) 15.074 20.813 ( -3.132 -10.062 0.000) 10.539 20.813 ( 3.132 -10.062 0.000) 10.539 26.221 ( -0.509 1.601 0.000) 1.680 26.221 ( 0.509 1.601 0.000) 1.680 26.354 ( -1.115 -1.817 0.000) 2.132 26.354 ( 1.115 -1.817 0.000) 2.132 34.089 ( -4.769 5.335 0.000) 7.156 34.089 ( 4.769 5.335 0.000) 7.156 34.686 ( -10.585 -5.567 0.000) 11.960 34.686 ( 10.585 -5.567 0.000) 11.960 37.219 ( -2.619 10.959 0.000) 11.267 37.219 ( 2.619 10.959 0.000) 11.267 38.460 ( -6.389 -15.387 0.000) 16.661 38.460 ( 6.389 -15.387 0.000) 16.661 ======================= Grid point 44 (25/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 -5.573 0.000) 5.573 1.363 ( 0.000 5.573 0.000) 5.573 2.039 ( 0.000 -19.270 0.000) 19.270 2.039 ( 0.000 19.270 0.000) 19.270 2.209 ( 0.000 -5.409 0.000) 5.409 2.209 ( 0.000 5.409 0.000) 5.409 2.752 ( 0.000 -7.910 0.000) 7.910 2.752 ( 0.000 7.910 0.000) 7.910 2.996 ( 0.000 -4.010 0.000) 4.010 2.996 ( 0.000 4.010 0.000) 4.010 3.233 ( 0.000 -11.556 0.000) 11.556 3.233 ( 0.000 11.556 0.000) 11.556 3.468 ( 0.000 -6.916 0.000) 6.916 3.468 ( 0.000 6.916 0.000) 6.916 3.962 ( 0.000 -32.969 0.000) 32.969 3.962 ( 0.000 32.969 0.000) 32.969 5.176 ( 0.000 -5.372 0.000) 5.372 5.176 ( 0.000 5.372 0.000) 5.372 5.551 ( 0.000 -13.176 0.000) 13.176 5.551 ( 0.000 13.176 0.000) 13.176 6.169 ( 0.000 -2.552 0.000) 2.552 6.169 ( 0.000 2.552 0.000) 2.552 6.847 ( 0.000 -6.665 0.000) 6.665 6.847 ( 0.000 6.665 0.000) 6.665 7.295 ( 0.000 -7.259 0.000) 7.259 7.295 ( 0.000 7.259 0.000) 7.259 7.461 ( 0.000 -5.884 0.000) 5.884 7.461 ( 0.000 5.884 0.000) 5.884 8.086 ( 0.000 -4.899 0.000) 4.899 8.086 ( 0.000 4.899 0.000) 4.899 8.663 ( 0.000 -21.518 0.000) 21.518 8.663 ( 0.000 21.518 0.000) 21.518 9.041 ( 0.000 -0.988 0.000) 0.988 9.041 ( 0.000 0.988 0.000) 0.988 9.686 ( 0.000 -2.533 0.000) 2.533 9.686 ( 0.000 2.533 0.000) 2.533 9.738 ( 0.000 -9.457 0.000) 9.457 9.738 ( 0.000 9.457 0.000) 9.457 10.385 ( 0.000 -4.025 0.000) 4.025 10.385 ( 0.000 4.025 0.000) 4.025 11.477 ( 0.000 -17.351 0.000) 17.351 11.477 ( 0.000 17.351 0.000) 17.351 15.866 ( 0.000 -3.222 0.000) 3.222 15.866 ( 0.000 3.222 0.000) 3.222 16.305 ( 0.000 -1.900 0.000) 1.900 16.305 ( 0.000 1.900 0.000) 1.900 17.816 ( 0.000 -1.082 0.000) 1.082 17.816 ( 0.000 1.082 0.000) 1.082 17.981 ( 0.000 -0.355 0.000) 0.355 17.981 ( 0.000 0.355 0.000) 0.355 20.607 ( 0.000 -14.614 0.000) 14.614 20.607 ( 0.000 14.614 0.000) 14.614 20.945 ( 0.000 -3.965 0.000) 3.965 20.945 ( 0.000 3.965 0.000) 3.965 26.190 ( 0.000 -1.690 0.000) 1.690 26.190 ( 0.000 1.690 0.000) 1.690 26.354 ( 0.000 -1.095 0.000) 1.095 26.354 ( 0.000 1.095 0.000) 1.095 33.480 ( 0.000 -1.674 0.000) 1.674 33.480 ( 0.000 1.674 0.000) 1.674 35.195 ( 0.000 -23.411 0.000) 23.411 35.195 ( 0.000 23.411 0.000) 23.411 36.287 ( 0.000 -1.357 0.000) 1.357 36.287 ( 0.000 1.357 0.000) 1.357 36.829 ( 0.000 -6.950 0.000) 6.950 36.829 ( 0.000 6.950 0.000) 6.950 ======================= Grid point 46 (26/120) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 2.267 -3.278 0.000) 3.986 1.395 ( 2.267 3.278 0.000) 3.986 2.079 ( 3.658 -18.049 0.000) 18.416 2.079 ( 3.658 18.049 0.000) 18.416 2.218 ( 1.394 -6.866 0.000) 7.006 2.218 ( 1.394 6.866 0.000) 7.006 2.711 ( -3.490 -8.008 0.000) 8.736 2.711 ( -3.490 8.008 0.000) 8.736 3.042 ( 4.177 -3.698 0.000) 5.579 3.042 ( 4.177 3.698 0.000) 5.579 3.241 ( 0.933 -12.381 0.000) 12.416 3.241 ( 0.933 12.381 0.000) 12.416 3.520 ( 4.541 -6.810 0.000) 8.185 3.520 ( 4.541 6.810 0.000) 8.185 4.015 ( 4.730 -29.059 0.000) 29.441 4.015 ( 4.730 29.059 0.000) 29.441 5.090 ( -7.408 -7.054 0.000) 10.230 5.090 ( -7.408 7.054 0.000) 10.230 5.582 ( 2.677 -13.183 0.000) 13.452 5.582 ( 2.677 13.183 0.000) 13.452 6.159 ( -0.754 -3.079 0.000) 3.170 6.159 ( -0.754 3.079 0.000) 3.170 6.985 ( 10.923 -3.285 0.000) 11.406 6.985 ( 10.923 3.285 0.000) 11.406 7.397 ( -6.243 -6.799 0.000) 9.231 7.397 ( -6.243 6.799 0.000) 9.231 7.493 ( 18.181 -11.717 0.000) 21.629 7.493 ( 18.181 11.717 0.000) 21.629 7.986 ( -8.824 -4.672 0.000) 9.984 7.986 ( -8.824 4.672 0.000) 9.984 8.615 ( -4.245 -23.137 0.000) 23.524 8.615 ( -4.245 23.137 0.000) 23.524 9.063 ( 1.795 -2.061 0.000) 2.733 9.063 ( 1.795 2.061 0.000) 2.733 9.618 ( -5.499 -2.704 0.000) 6.128 9.618 ( -5.499 2.704 0.000) 6.128 9.757 ( 1.482 -9.066 0.000) 9.186 9.757 ( 1.482 9.066 0.000) 9.186 10.380 ( -0.367 -5.234 0.000) 5.247 10.380 ( -0.367 5.234 0.000) 5.247 11.441 ( -3.275 -16.740 0.000) 17.058 11.441 ( -3.275 16.740 0.000) 17.058 15.895 ( 2.636 -2.907 0.000) 3.924 15.895 ( 2.636 2.907 0.000) 3.924 16.309 ( 0.268 -1.973 0.000) 1.991 16.309 ( 0.268 1.973 0.000) 1.991 17.710 ( -8.041 -3.863 0.000) 8.921 17.710 ( -8.041 3.863 0.000) 8.921 17.997 ( -0.102 -2.544 0.000) 2.546 17.997 ( -0.102 2.544 0.000) 2.546 20.572 ( -2.835 -14.368 0.000) 14.645 20.572 ( -2.835 14.368 0.000) 14.645 20.926 ( -1.890 -5.734 0.000) 6.038 20.926 ( -1.890 5.734 0.000) 6.038 26.200 ( 0.791 -1.305 0.000) 1.527 26.200 ( 0.791 1.305 0.000) 1.527 26.347 ( -0.503 -0.732 0.000) 0.888 26.347 ( -0.503 0.732 0.000) 0.888 33.529 ( 4.542 -1.814 0.000) 4.891 33.529 ( 4.542 1.814 0.000) 4.891 35.153 ( -3.898 -22.316 0.000) 22.654 35.153 ( -3.898 22.316 0.000) 22.654 36.420 ( 11.774 -4.273 0.000) 12.525 36.420 ( 11.774 4.273 0.000) 12.525 36.996 ( 15.153 -10.608 0.000) 18.497 36.996 ( 15.153 10.608 0.000) 18.497 ======================= Grid point 48 (27/120) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -1.813 -0.479 0.000) 1.876 1.409 ( -1.813 0.479 0.000) 1.876 2.186 ( 6.479 -14.688 0.000) 16.053 2.186 ( 6.479 14.688 0.000) 16.053 2.296 ( 6.131 -7.426 0.000) 9.630 2.296 ( 6.131 7.426 0.000) 9.630 2.632 ( -3.169 -6.589 0.000) 7.311 2.632 ( -3.169 6.589 0.000) 7.311 3.141 ( 4.101 -1.059 0.000) 4.236 3.141 ( 4.101 1.059 0.000) 4.236 3.296 ( 5.200 -11.852 0.000) 12.942 3.296 ( 5.200 11.852 0.000) 12.942 3.634 ( 5.699 -6.318 0.000) 8.509 3.634 ( 5.699 6.318 0.000) 8.509 4.133 ( 5.624 -19.244 0.000) 20.049 4.133 ( 5.624 19.244 0.000) 20.049 4.902 ( -9.806 -8.481 0.000) 12.964 4.902 ( -9.806 8.481 0.000) 12.964 5.639 ( 2.152 -13.077 0.000) 13.253 5.639 ( 2.152 13.077 0.000) 13.253 6.152 ( 0.599 -3.372 0.000) 3.424 6.152 ( 0.599 3.372 0.000) 3.424 7.194 ( -13.053 -9.051 0.000) 15.884 7.194 ( -13.053 9.051 0.000) 15.884 7.218 ( 9.986 -4.923 0.000) 11.134 7.218 ( 9.986 4.923 0.000) 11.134 7.766 ( -11.114 -3.793 0.000) 11.744 7.766 ( -11.114 3.793 0.000) 11.744 7.939 ( 20.010 -18.774 0.000) 27.438 7.939 ( 20.010 18.774 0.000) 27.438 8.507 ( -5.241 -22.728 0.000) 23.325 8.507 ( -5.241 22.728 0.000) 23.325 9.104 ( 2.717 -9.599 0.000) 9.976 9.104 ( 2.717 9.599 0.000) 9.976 9.535 ( -0.534 -6.841 0.000) 6.862 9.535 ( -0.534 6.841 0.000) 6.862 9.784 ( 0.706 -7.780 0.000) 7.812 9.784 ( 0.706 7.780 0.000) 7.812 10.374 ( -0.173 -3.950 0.000) 3.954 10.374 ( -0.173 3.950 0.000) 3.954 11.357 ( -4.299 -14.625 0.000) 15.244 11.357 ( -4.299 14.625 0.000) 15.244 15.967 ( 3.992 -2.242 0.000) 4.579 15.967 ( 3.992 2.242 0.000) 4.579 16.313 ( 0.105 -2.070 0.000) 2.073 16.313 ( 0.105 2.070 0.000) 2.073 17.534 ( -8.086 -3.478 0.000) 8.803 17.534 ( -8.086 3.478 0.000) 8.803 17.956 ( -3.580 -1.387 0.000) 3.839 17.956 ( -3.580 1.387 0.000) 3.839 20.512 ( -2.416 -14.088 0.000) 14.294 20.512 ( -2.416 14.088 0.000) 14.294 20.864 ( -3.930 -8.782 0.000) 9.621 20.864 ( -3.930 8.782 0.000) 9.621 26.215 ( 0.539 -0.363 0.000) 0.650 26.215 ( 0.539 0.363 0.000) 0.650 26.340 ( -0.083 -1.218 0.000) 1.221 26.340 ( -0.083 1.218 0.000) 1.221 33.663 ( 8.059 -2.496 0.000) 8.437 33.663 ( 8.059 2.496 0.000) 8.437 35.039 ( -6.790 -19.408 0.000) 20.562 35.039 ( -6.790 19.408 0.000) 20.562 36.726 ( 16.199 -7.642 0.000) 17.911 36.726 ( 16.199 7.642 0.000) 17.911 37.401 ( 21.796 -14.625 0.000) 26.248 37.401 ( 21.796 14.625 0.000) 26.248 ======================= Grid point 50 (28/120) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -6.091 -0.459 0.000) 6.108 1.319 ( -6.091 0.459 0.000) 6.108 2.347 ( 8.836 -9.706 0.000) 13.126 2.347 ( 8.836 9.706 0.000) 13.126 2.394 ( 0.512 -3.447 0.000) 3.485 2.394 ( 0.512 3.447 0.000) 3.485 2.665 ( 8.542 -3.122 0.000) 9.095 2.665 ( 8.542 3.122 0.000) 9.095 3.187 ( 0.596 -5.734 0.000) 5.765 3.187 ( 0.596 5.734 0.000) 5.765 3.455 ( 8.699 -5.969 0.000) 10.550 3.455 ( 8.699 5.969 0.000) 10.550 3.727 ( 2.536 -5.288 0.000) 5.865 3.727 ( 2.536 5.288 0.000) 5.865 4.214 ( 1.704 -9.098 0.000) 9.256 4.214 ( 1.704 9.098 0.000) 9.256 4.709 ( -8.045 -7.865 0.000) 11.251 4.709 ( -8.045 7.865 0.000) 11.251 5.659 ( 0.105 -12.176 0.000) 12.176 5.659 ( 0.105 12.176 0.000) 12.176 6.194 ( 2.949 -2.770 0.000) 4.046 6.194 ( 2.949 2.770 0.000) 4.046 6.883 ( -15.407 -10.908 0.000) 18.877 6.883 ( -15.407 10.908 0.000) 18.877 7.353 ( 1.950 -5.360 0.000) 5.704 7.353 ( 1.950 5.360 0.000) 5.704 7.548 ( -9.457 -3.734 0.000) 10.168 7.548 ( -9.457 3.734 0.000) 10.168 8.156 ( 0.817 -23.693 0.000) 23.707 8.156 ( 0.817 23.693 0.000) 23.707 8.465 ( 1.650 -16.457 0.000) 16.540 8.465 ( 1.650 16.457 0.000) 16.540 9.248 ( 11.417 -7.510 0.000) 13.666 9.248 ( 11.417 7.510 0.000) 13.666 9.607 ( 6.284 -4.767 0.000) 7.888 9.607 ( 6.284 4.767 0.000) 7.888 9.781 ( -0.849 -5.512 0.000) 5.577 9.781 ( -0.849 5.512 0.000) 5.577 10.372 ( 0.010 -1.157 0.000) 1.157 10.372 ( 0.010 1.157 0.000) 1.157 11.278 ( -3.006 -10.709 0.000) 11.123 11.278 ( -3.006 10.709 0.000) 11.123 16.051 ( 3.781 -1.649 0.000) 4.125 16.051 ( 3.781 1.649 0.000) 4.125 16.311 ( -0.375 -1.967 0.000) 2.003 16.311 ( -0.375 1.967 0.000) 2.003 17.388 ( -5.734 -2.531 0.000) 6.268 17.388 ( -5.734 2.531 0.000) 6.268 17.865 ( -4.592 -1.187 0.000) 4.743 17.865 ( -4.592 1.187 0.000) 4.743 20.483 ( -0.275 -13.771 0.000) 13.774 20.483 ( -0.275 13.771 0.000) 13.774 20.769 ( -4.962 -10.977 0.000) 12.047 20.769 ( -4.962 10.977 0.000) 12.047 26.224 ( 0.422 -0.558 0.000) 0.700 26.224 ( 0.422 0.558 0.000) 0.700 26.341 ( -0.029 -1.722 0.000) 1.722 26.341 ( -0.029 1.722 0.000) 1.722 33.853 ( 9.748 -3.694 0.000) 10.424 33.853 ( 9.748 3.694 0.000) 10.424 34.879 ( -8.212 -15.408 0.000) 17.460 34.879 ( -8.212 15.408 0.000) 17.460 37.049 ( 13.882 -7.185 0.000) 15.631 37.049 ( 13.882 7.185 0.000) 15.631 37.840 ( 19.010 -13.362 0.000) 23.236 37.840 ( 19.010 13.362 0.000) 23.236 ======================= Grid point 52 (29/120) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -5.242 -0.107 0.000) 5.243 1.191 ( -5.242 0.107 0.000) 5.243 2.361 ( -1.956 -3.625 0.000) 4.119 2.361 ( -1.956 3.625 0.000) 4.119 2.538 ( 8.605 -5.090 0.000) 9.997 2.538 ( 8.605 5.090 0.000) 9.997 2.911 ( 12.131 -4.421 0.000) 12.911 2.911 ( 12.131 4.421 0.000) 12.911 3.176 ( -1.498 -7.195 0.000) 7.349 3.176 ( -1.498 7.195 0.000) 7.349 3.601 ( 4.219 -3.797 0.000) 5.675 3.601 ( 4.219 3.797 0.000) 5.675 3.720 ( -3.019 -3.709 0.000) 4.783 3.720 ( -3.019 3.709 0.000) 4.783 4.229 ( 1.201 -10.080 0.000) 10.151 4.229 ( 1.201 10.080 0.000) 10.151 4.573 ( -5.328 -7.046 0.000) 8.834 4.573 ( -5.328 7.046 0.000) 8.834 5.674 ( 1.761 -9.158 0.000) 9.326 5.674 ( 1.761 9.158 0.000) 9.326 6.229 ( -0.936 -1.278 0.000) 1.584 6.229 ( -0.936 1.278 0.000) 1.584 6.621 ( -7.894 -9.812 0.000) 12.593 6.621 ( -7.894 9.812 0.000) 12.593 7.310 ( -4.323 -2.687 0.000) 5.090 7.310 ( -4.323 2.687 0.000) 5.090 7.381 ( -6.150 -3.282 0.000) 6.971 7.381 ( -6.150 3.282 0.000) 6.971 8.143 ( -0.120 -15.734 0.000) 15.734 8.143 ( -0.120 15.734 0.000) 15.734 8.502 ( 1.295 -12.143 0.000) 12.212 8.502 ( 1.295 12.143 0.000) 12.212 9.486 ( 8.950 -3.833 0.000) 9.736 9.486 ( 8.950 3.833 0.000) 9.736 9.749 ( 6.195 -0.501 0.000) 6.215 9.749 ( 6.195 0.501 0.000) 6.215 9.757 ( -1.131 -2.749 0.000) 2.973 9.757 ( -1.131 2.749 0.000) 2.973 10.374 ( 0.189 -0.670 0.000) 0.696 10.374 ( 0.189 0.670 0.000) 0.696 11.234 ( -1.231 -5.545 0.000) 5.680 11.234 ( -1.231 5.545 0.000) 5.680 16.117 ( 2.405 -1.080 0.000) 2.636 16.117 ( 2.405 1.080 0.000) 2.636 16.299 ( -0.623 -1.399 0.000) 1.531 16.299 ( -0.623 1.399 0.000) 1.531 17.298 ( -2.873 -1.394 0.000) 3.193 17.298 ( -2.873 1.394 0.000) 3.193 17.782 ( -3.020 -1.005 0.000) 3.183 17.782 ( -3.020 1.005 0.000) 3.183 20.501 ( 1.875 -12.975 0.000) 13.110 20.501 ( 1.875 12.975 0.000) 13.110 20.666 ( -4.711 -11.811 0.000) 12.715 20.666 ( -4.711 11.811 0.000) 12.715 26.234 ( 0.569 -0.659 0.000) 0.871 26.234 ( 0.569 0.659 0.000) 0.871 26.336 ( -0.369 -1.316 0.000) 1.367 26.336 ( -0.369 1.316 0.000) 1.367 34.050 ( 8.475 -4.249 0.000) 9.481 34.050 ( 8.475 4.249 0.000) 9.481 34.710 ( -7.398 -10.153 0.000) 12.563 34.710 ( -7.398 10.153 0.000) 12.563 37.279 ( 7.655 -4.046 0.000) 8.659 37.279 ( 7.655 4.046 0.000) 8.659 38.157 ( 10.718 -7.587 0.000) 13.132 38.157 ( 10.718 7.587 0.000) 13.132 ======================= Grid point 54 (30/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 0.000 0.000) 0.000 1.132 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.645 ( -0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 3.065 ( -0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 -0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.664 ( -0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 4.263 ( -0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 -0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 -0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.556 ( -0.000 -0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 -0.000 0.000) 0.000 8.146 ( 0.000 -0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.516 ( -0.000 0.000 0.000) 0.000 9.581 ( 0.000 -0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 -0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 10.377 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.291 ( 0.000 0.000 0.000) 0.000 16.291 ( 0.000 -0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 17.749 ( 0.000 0.000 0.000) 0.000 20.541 ( -0.000 -0.000 0.000) 0.000 20.541 ( 0.000 0.000 0.000) 0.000 20.595 ( 0.000 -0.000 0.000) 0.000 20.595 ( 0.000 0.000 0.000) 0.000 26.242 ( 0.000 -0.000 0.000) 0.000 26.242 ( 0.000 0.000 0.000) 0.000 26.331 ( 0.000 0.000 0.000) 0.000 26.331 ( 0.000 0.000 0.000) 0.000 34.156 ( 0.000 0.000 0.000) 0.000 34.156 ( 0.000 0.000 0.000) 0.000 34.617 ( 0.000 0.000 0.000) 0.000 34.617 ( 0.000 0.000 0.000) 0.000 37.360 ( 0.000 0.000 0.000) 0.000 37.360 ( 0.000 0.000 0.000) 0.000 38.271 ( 0.000 0.000 0.000) 0.000 38.271 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 21.003) 21.003 0.482 ( 0.000 0.000 26.040) 26.040 1.046 ( 0.000 0.000 53.358) 53.358 1.966 ( 0.000 0.000 -21.292) 21.292 1.981 ( 0.000 0.000 4.379) 4.379 2.126 ( 0.000 0.000 -15.594) 15.594 2.640 ( 0.000 0.000 13.528) 13.528 2.705 ( 0.000 0.000 9.167) 9.167 2.785 ( 0.000 0.000 3.926) 3.926 3.030 ( 0.000 0.000 5.279) 5.279 3.157 ( 0.000 0.000 0.022) 0.022 3.213 ( 0.000 0.000 -3.585) 3.585 3.470 ( 0.000 0.000 2.811) 2.811 3.588 ( 0.000 0.000 -2.564) 2.564 4.106 ( 0.000 0.000 -2.835) 2.835 4.499 ( 0.000 0.000 3.215) 3.215 4.745 ( 0.000 0.000 4.799) 4.799 5.079 ( 0.000 0.000 8.626) 8.626 5.154 ( 0.000 0.000 -22.020) 22.020 6.290 ( 0.000 0.000 3.319) 3.319 6.383 ( 0.000 0.000 -7.791) 7.791 6.669 ( 0.000 0.000 -3.200) 3.200 7.027 ( 0.000 0.000 -2.459) 2.459 7.061 ( 0.000 0.000 -4.377) 4.377 7.099 ( 0.000 0.000 2.652) 2.652 7.374 ( 0.000 0.000 6.514) 6.514 7.419 ( 0.000 0.000 -3.453) 3.453 7.549 ( 0.000 0.000 7.129) 7.129 7.856 ( 0.000 0.000 1.891) 1.891 7.931 ( 0.000 0.000 4.172) 4.172 8.224 ( 0.000 0.000 -2.552) 2.552 8.374 ( 0.000 0.000 6.404) 6.404 8.652 ( 0.000 0.000 -4.773) 4.773 9.224 ( 0.000 0.000 -1.040) 1.040 9.241 ( 0.000 0.000 -5.120) 5.120 9.812 ( 0.000 0.000 3.195) 3.195 9.876 ( 0.000 0.000 -8.763) 8.763 10.069 ( 0.000 0.000 1.592) 1.592 10.249 ( 0.000 0.000 -0.910) 0.910 10.306 ( 0.000 0.000 -10.117) 10.117 10.950 ( 0.000 0.000 20.135) 20.135 12.324 ( 0.000 0.000 -8.488) 8.488 15.710 ( 0.000 0.000 3.147) 3.147 16.080 ( 0.000 0.000 2.870) 2.870 16.122 ( 0.000 0.000 -3.688) 3.688 16.414 ( 0.000 0.000 -2.633) 2.633 17.432 ( 0.000 0.000 0.695) 0.695 17.471 ( 0.000 0.000 -0.010) 0.010 18.141 ( 0.000 0.000 0.435) 0.435 18.182 ( 0.000 0.000 -0.247) 0.247 19.647 ( 0.000 0.000 0.156) 0.156 19.656 ( 0.000 0.000 0.006) 0.006 21.185 ( 0.000 0.000 0.002) 0.002 21.192 ( 0.000 0.000 -0.120) 0.120 26.044 ( 0.000 0.000 0.633) 0.633 26.114 ( 0.000 0.000 -0.513) 0.513 26.454 ( 0.000 0.000 0.188) 0.188 26.474 ( 0.000 0.000 -0.152) 0.152 33.414 ( 0.000 0.000 3.157) 3.157 33.782 ( 0.000 0.000 -2.896) 2.896 36.189 ( 0.000 0.000 2.657) 2.657 36.366 ( 0.000 0.000 4.421) 4.421 36.530 ( 0.000 0.000 -3.377) 3.377 36.658 ( 0.000 0.000 1.082) 1.082 36.722 ( 0.000 0.000 -0.391) 0.391 36.898 ( 0.000 0.000 -4.330) 4.330 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 21.611 0.000 11.618) 24.536 0.862 ( 21.211 0.000 18.064) 27.861 1.541 ( 40.626 0.000 27.609) 49.120 1.935 ( -3.073 0.000 -0.728) 3.158 2.035 ( 6.167 0.000 -20.834) 21.727 2.226 ( 6.837 0.000 -6.915) 9.725 2.576 ( -8.627 0.000 12.147) 14.898 2.691 ( 3.021 0.000 13.850) 14.176 2.790 ( 7.862 0.000 5.756) 9.744 3.145 ( 5.931 0.000 5.694) 8.222 3.168 ( -1.516 0.000 -3.621) 3.926 3.210 ( -0.089 0.000 -3.380) 3.381 3.455 ( -1.581 0.000 2.324) 2.811 3.579 ( -0.788 0.000 -2.021) 2.169 4.091 ( -0.703 0.000 -3.728) 3.793 4.446 ( -5.158 0.000 3.517) 6.243 4.746 ( -1.694 0.000 2.763) 3.242 5.012 ( -5.772 0.000 10.940) 12.370 5.161 ( 1.045 0.000 -20.580) 20.606 6.242 ( -4.179 0.000 1.769) 4.538 6.290 ( -8.851 0.000 -8.856) 12.521 6.577 ( -8.621 0.000 -2.212) 8.900 6.937 ( -19.813 0.000 24.331) 31.377 7.027 ( -5.449 0.000 2.043) 5.819 7.059 ( -0.386 0.000 -2.150) 2.184 7.109 ( 7.184 0.000 -4.727) 8.600 7.350 ( -8.912 0.000 -2.669) 9.303 7.631 ( 5.355 0.000 9.161) 10.611 7.645 ( 8.270 0.000 5.747) 10.071 8.047 ( 8.788 0.000 4.222) 9.749 8.096 ( -9.152 0.000 -6.037) 10.963 8.508 ( 5.711 0.000 12.499) 13.742 8.666 ( 5.637 0.000 -6.595) 8.676 9.284 ( 4.968 0.000 -0.961) 5.060 9.676 ( -6.085 0.000 -0.710) 6.126 9.837 ( -2.991 0.000 -8.335) 8.855 9.997 ( 18.652 0.000 -20.122) 27.437 10.026 ( -2.853 0.000 -1.400) 3.178 10.356 ( 3.621 0.000 -7.329) 8.175 10.376 ( 7.849 0.000 -10.299) 12.949 10.969 ( 1.886 0.000 19.086) 19.178 12.251 ( -5.694 0.000 -5.535) 7.941 15.767 ( 5.080 0.000 3.149) 5.977 16.100 ( 1.903 0.000 2.592) 3.215 16.149 ( 0.859 0.000 -1.806) 2.000 16.395 ( -0.979 0.000 -1.241) 1.581 17.440 ( -0.848 0.000 -0.070) 0.850 17.457 ( -1.328 0.000 0.100) 1.332 18.069 ( -3.233 0.000 -3.302) 4.621 18.083 ( -8.629 0.000 -0.543) 8.646 19.652 ( 0.421 0.000 0.207) 0.470 19.712 ( 1.816 0.000 -2.813) 3.348 21.177 ( -0.659 0.000 0.024) 0.660 21.187 ( -0.417 0.000 -0.151) 0.444 26.064 ( 1.687 0.000 0.481) 1.755 26.116 ( 0.161 0.000 -0.421) 0.451 26.453 ( -0.057 0.000 0.162) 0.172 26.472 ( -0.262 0.000 -0.139) 0.296 33.478 ( 5.671 0.000 3.114) 6.470 33.797 ( 1.318 0.000 -2.462) 2.793 34.515 ( -37.252 0.000 51.773) 63.782 36.242 ( 4.778 0.000 2.581) 5.431 36.430 ( -14.888 0.000 -8.802) 17.296 36.537 ( 0.921 0.000 -1.916) 2.126 37.225 ( 23.472 0.000 4.482) 23.896 38.854 ( 50.292 0.000 -59.054) 77.567 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 22.868 0.000 6.117) 23.672 1.260 ( 16.095 0.000 9.722) 18.803 1.856 ( -4.668 0.000 -1.957) 5.062 2.109 ( 6.873 0.000 -12.568) 14.325 2.331 ( 12.684 0.000 -4.352) 13.410 2.362 ( 6.287 0.000 -0.122) 6.288 2.655 ( 23.796 0.000 23.638) 33.541 2.778 ( 8.431 0.000 10.382) 13.375 2.978 ( 7.867 0.000 0.038) 7.867 3.108 ( -0.908 0.000 -0.222) 0.935 3.228 ( 2.736 0.000 -2.148) 3.478 3.267 ( 5.241 0.000 2.818) 5.950 3.394 ( -4.428 0.000 1.007) 4.541 3.560 ( -0.907 0.000 -0.668) 1.126 4.077 ( -0.898 0.000 -5.145) 5.223 4.292 ( -8.996 0.000 4.004) 9.847 4.640 ( -8.705 0.000 -2.376) 9.024 4.885 ( -5.299 0.000 16.316) 17.155 5.201 ( 2.251 0.000 -17.742) 17.884 6.023 ( -16.410 0.000 -7.414) 18.007 6.081 ( -11.435 0.000 -1.618) 11.549 6.329 ( -14.204 0.000 -3.402) 14.606 6.681 ( -7.276 0.000 15.902) 17.488 6.849 ( -10.891 0.000 1.859) 11.048 7.071 ( -16.566 0.000 -1.167) 16.607 7.093 ( 2.534 0.000 2.200) 3.356 7.310 ( 10.595 0.000 -5.588) 11.978 7.761 ( -6.712 0.000 -6.974) 9.679 7.913 ( 19.228 0.000 7.932) 20.800 7.981 ( 8.663 0.000 5.529) 10.277 8.262 ( 11.277 0.000 2.372) 11.524 8.566 ( 2.982 0.000 -0.051) 2.982 8.910 ( 13.695 0.000 5.759) 14.857 9.401 ( 5.661 0.000 -0.720) 5.706 9.553 ( -3.672 0.000 2.106) 4.233 9.750 ( -4.774 0.000 -6.399) 7.983 9.987 ( -0.653 0.000 -3.678) 3.736 10.184 ( 2.296 0.000 -9.553) 9.825 10.420 ( 1.993 0.000 -4.860) 5.253 10.460 ( 0.698 0.000 -8.015) 8.045 11.033 ( 4.239 0.000 15.780) 16.339 12.104 ( -8.252 0.000 -4.382) 9.343 15.894 ( 6.282 0.000 2.847) 6.897 16.148 ( -0.676 0.000 0.429) 0.800 16.153 ( 2.961 0.000 1.844) 3.488 16.379 ( -0.674 0.000 -1.783) 1.906 17.396 ( -2.873 0.000 0.853) 2.997 17.417 ( -2.469 0.000 0.345) 2.493 17.875 ( -9.860 0.000 -0.826) 9.895 18.015 ( -2.627 0.000 -6.347) 6.869 19.659 ( 0.144 0.000 0.233) 0.274 19.718 ( -0.661 0.000 -1.448) 1.592 21.160 ( -0.949 0.000 0.068) 0.952 21.175 ( -0.728 0.000 -0.199) 0.755 26.104 ( 1.906 0.000 0.108) 1.909 26.120 ( 0.273 0.000 -0.340) 0.436 26.451 ( -0.140 0.000 0.098) 0.170 26.464 ( -0.463 0.000 -0.105) 0.475 33.628 ( 8.016 0.000 4.703) 9.294 33.833 ( 2.018 0.000 -1.219) 2.358 34.194 ( -2.321 0.000 23.576) 23.690 36.074 ( -18.771 0.000 -12.766) 22.700 36.377 ( 7.720 0.000 2.201) 8.028 36.588 ( 3.743 0.000 -0.427) 3.768 37.784 ( 28.710 0.000 7.601) 29.699 39.379 ( 10.680 0.000 -27.751) 29.735 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 5.231 0.000 3.303) 6.187 1.611 ( 19.934 0.000 2.893) 20.143 1.744 ( -5.353 0.000 -0.204) 5.357 2.211 ( 5.714 0.000 -9.177) 10.810 2.506 ( 7.706 0.000 0.374) 7.715 2.540 ( 9.830 0.000 1.486) 9.942 2.846 ( 5.965 0.000 8.965) 10.768 2.929 ( -1.194 0.000 1.935) 2.274 3.062 ( 0.953 0.000 -1.127) 1.476 3.268 ( -7.005 0.000 0.474) 7.021 3.333 ( 0.956 0.000 0.201) 0.977 3.358 ( 8.667 0.000 -1.240) 8.755 3.542 ( -0.879 0.000 0.392) 0.963 3.587 ( 35.501 0.000 8.928) 36.606 4.045 ( -2.361 0.000 -5.275) 5.779 4.100 ( -8.775 0.000 4.009) 9.648 4.411 ( -11.932 0.000 -2.649) 12.222 4.806 ( -2.082 0.000 13.009) 13.175 5.209 ( -2.546 0.000 -14.666) 14.886 5.629 ( -20.393 0.000 -3.724) 20.730 5.798 ( -14.311 0.000 -1.250) 14.366 6.015 ( -15.358 0.000 -4.961) 16.139 6.594 ( -2.544 0.000 8.071) 8.462 6.594 ( -12.721 0.000 2.837) 13.034 6.705 ( -15.864 0.000 2.087) 16.001 7.115 ( -1.881 0.000 1.908) 2.679 7.502 ( 6.927 0.000 -3.124) 7.599 7.554 ( -7.448 0.000 -3.122) 8.076 8.310 ( 15.529 0.000 4.766) 16.244 8.329 ( 20.299 0.000 2.637) 20.469 8.534 ( 15.615 0.000 0.906) 15.642 8.658 ( 5.294 0.000 -1.386) 5.472 9.159 ( 9.475 0.000 6.135) 11.288 9.508 ( 4.409 0.000 0.542) 4.442 9.560 ( 4.614 0.000 2.758) 5.375 9.658 ( -3.641 0.000 -3.677) 5.175 9.997 ( 1.419 0.000 -3.350) 3.638 10.127 ( -7.483 0.000 -7.324) 10.470 10.430 ( -1.073 0.000 -3.388) 3.554 10.447 ( -1.341 0.000 -2.824) 3.127 11.146 ( 6.543 0.000 10.558) 12.421 11.913 ( -9.808 0.000 -3.305) 10.350 16.008 ( 4.348 0.000 1.988) 4.781 16.130 ( -0.932 0.000 0.713) 1.173 16.216 ( 2.831 0.000 0.719) 2.921 16.362 ( -0.935 0.000 -2.197) 2.387 17.336 ( -2.584 0.000 1.057) 2.792 17.359 ( -2.801 0.000 0.576) 2.860 17.713 ( -5.082 0.000 -0.561) 5.113 17.943 ( -4.377 0.000 -5.288) 6.864 19.659 ( -0.120 0.000 0.157) 0.198 19.698 ( -1.153 0.000 -0.700) 1.349 21.141 ( -0.767 0.000 0.085) 0.772 21.158 ( -0.854 0.000 -0.207) 0.878 26.127 ( 0.378 0.000 -0.325) 0.498 26.136 ( 1.069 0.000 -0.264) 1.101 26.448 ( -0.208 0.000 0.026) 0.210 26.454 ( -0.493 0.000 -0.064) 0.497 33.778 ( 5.733 0.000 7.972) 9.819 33.874 ( 1.796 0.000 0.696) 1.926 34.280 ( 9.336 0.000 7.008) 11.674 35.666 ( -19.771 0.000 -12.092) 23.176 36.545 ( 7.854 0.000 1.721) 8.040 36.677 ( 4.343 0.000 0.093) 4.344 38.374 ( 26.747 0.000 6.661) 27.564 39.482 ( 0.526 0.000 -13.312) 13.322 ======================= Grid point 103 (35/120) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.101 0.000 2.041) 2.043 1.617 ( -5.068 0.000 0.896) 5.146 2.006 ( 16.368 0.000 1.089) 16.404 2.341 ( 4.250 0.000 -8.596) 9.589 2.636 ( 0.575 0.000 4.118) 4.157 2.669 ( 6.701 0.000 -2.019) 6.998 2.965 ( 3.864 0.000 5.210) 6.486 3.044 ( 12.355 0.000 0.862) 12.385 3.058 ( -1.125 0.000 1.037) 1.530 3.121 ( -5.363 0.000 1.720) 5.632 3.291 ( -4.004 0.000 0.850) 4.093 3.500 ( -2.717 0.000 0.043) 2.718 3.581 ( 11.214 0.000 -0.472) 11.224 3.943 ( -4.863 0.000 -1.674) 5.143 3.943 ( -5.785 0.000 2.763) 6.411 4.087 ( -5.212 0.000 1.787) 5.510 4.351 ( 20.642 0.000 -3.019) 20.862 4.810 ( 2.625 0.000 6.572) 7.077 5.070 ( -10.759 0.000 -10.277) 14.878 5.226 ( -16.913 0.000 -1.489) 16.978 5.551 ( -7.748 0.000 -1.140) 7.831 5.712 ( -12.894 0.000 -4.618) 13.696 6.354 ( -9.291 0.000 4.189) 10.191 6.364 ( -11.240 0.000 2.787) 11.580 6.665 ( 4.737 0.000 5.019) 6.901 6.990 ( -8.781 0.000 0.012) 8.781 7.510 ( 1.905 0.000 0.272) 1.924 7.586 ( 1.247 0.000 -1.296) 1.799 8.553 ( 9.186 0.000 2.381) 9.490 8.725 ( 7.976 0.000 -1.063) 8.046 8.769 ( 11.630 0.000 1.478) 11.724 8.844 ( 11.413 0.000 0.603) 11.428 9.316 ( 6.997 0.000 2.726) 7.510 9.576 ( 1.988 0.000 2.075) 2.874 9.605 ( -1.417 0.000 -0.920) 1.689 9.730 ( 9.661 0.000 2.538) 9.989 9.896 ( -13.102 0.000 -4.562) 13.874 10.027 ( 0.570 0.000 -0.979) 1.133 10.384 ( -2.692 0.000 -2.780) 3.870 10.408 ( -2.392 0.000 -1.579) 2.867 11.303 ( 8.429 0.000 5.130) 9.867 11.702 ( -10.186 0.000 -1.681) 10.323 16.073 ( 1.990 0.000 1.016) 2.235 16.113 ( -0.685 0.000 0.461) 0.826 16.268 ( 2.172 0.000 -0.631) 2.262 16.339 ( -1.311 0.000 -2.198) 2.559 17.294 ( -1.300 0.000 1.163) 1.745 17.309 ( -1.888 0.000 0.859) 2.074 17.669 ( 0.665 0.000 -0.453) 0.805 17.837 ( -5.531 0.000 -3.208) 6.394 19.657 ( 0.004 0.000 0.023) 0.023 19.675 ( -0.917 0.000 -0.347) 0.981 21.130 ( -0.262 0.000 0.041) 0.266 21.141 ( -0.714 0.000 -0.153) 0.730 26.136 ( 0.458 0.000 -0.377) 0.594 26.148 ( 0.146 0.000 -0.454) 0.477 26.443 ( -0.171 0.000 -0.023) 0.172 26.445 ( -0.304 0.000 -0.042) 0.306 33.865 ( 2.796 0.000 8.080) 8.550 33.902 ( 0.741 0.000 3.106) 3.193 34.543 ( 15.010 0.000 -1.691) 15.105 35.262 ( -18.800 0.000 -9.602) 21.110 36.687 ( 5.396 0.000 1.247) 5.539 36.750 ( 2.260 0.000 0.452) 2.305 38.872 ( 20.517 0.000 3.630) 20.835 39.423 ( -6.108 0.000 -5.670) 8.334 ======================= Grid point 104 (36/120) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -2.075 0.000 1.839) 2.773 1.541 ( 2.075 0.000 1.839) 2.773 2.283 ( -9.354 0.000 -2.579) 9.703 2.283 ( 9.354 0.000 -2.579) 9.703 2.697 ( -3.973 0.000 -1.980) 4.439 2.697 ( 3.973 0.000 -1.980) 4.439 3.033 ( -1.866 0.000 3.190) 3.696 3.033 ( 1.866 0.000 3.190) 3.696 3.110 ( -4.194 0.000 2.497) 4.881 3.110 ( 4.194 0.000 2.497) 4.881 3.367 ( -9.663 0.000 1.576) 9.791 3.367 ( 9.663 0.000 1.576) 9.791 3.824 ( -9.064 0.000 -1.973) 9.276 3.824 ( 9.064 0.000 -1.973) 9.276 3.900 ( -4.431 0.000 1.075) 4.559 3.900 ( 4.431 0.000 1.075) 4.559 4.790 ( -16.845 0.000 -5.521) 17.726 4.790 ( 16.845 0.000 -5.521) 17.726 4.934 ( -10.178 0.000 1.619) 10.306 4.934 ( 10.178 0.000 1.619) 10.306 5.517 ( -4.614 0.000 -3.067) 5.540 5.517 ( 4.614 0.000 -3.067) 5.540 6.246 ( -0.209 0.000 4.511) 4.516 6.246 ( 0.209 0.000 4.511) 4.516 6.805 ( -8.243 0.000 1.715) 8.420 6.805 ( 8.243 0.000 1.715) 8.420 7.567 ( -2.561 0.000 -0.216) 2.570 7.567 ( 2.561 0.000 -0.216) 2.570 8.706 ( -4.954 0.000 1.617) 5.211 8.706 ( 4.954 0.000 1.617) 5.211 8.961 ( -1.065 0.000 0.182) 1.080 8.961 ( 1.065 0.000 0.182) 1.080 9.537 ( -12.907 0.000 -1.831) 13.037 9.537 ( 12.907 0.000 -1.831) 13.037 9.604 ( -2.624 0.000 2.026) 3.315 9.604 ( 2.624 0.000 2.026) 3.315 9.962 ( -7.604 0.000 1.225) 7.703 9.962 ( 7.605 0.000 1.225) 7.703 10.362 ( -1.180 0.000 -2.262) 2.551 10.362 ( 1.180 0.000 -2.262) 2.551 11.494 ( -9.677 0.000 0.980) 9.726 11.494 ( 9.677 0.000 0.980) 9.726 16.099 ( -0.758 0.000 0.457) 0.884 16.099 ( 0.758 0.000 0.457) 0.884 16.308 ( -1.686 0.000 -1.694) 2.390 16.308 ( 1.686 0.000 -1.694) 2.390 17.285 ( -0.363 0.000 1.118) 1.176 17.285 ( 0.363 0.000 1.118) 1.176 17.727 ( -4.492 0.000 -1.363) 4.694 17.727 ( 4.492 0.000 -1.363) 4.694 19.661 ( -0.429 0.000 -0.138) 0.450 19.661 ( 0.429 0.000 -0.138) 0.450 21.130 ( -0.305 0.000 -0.054) 0.310 21.130 ( 0.305 0.000 -0.054) 0.310 26.145 ( -0.361 0.000 -0.455) 0.581 26.145 ( 0.361 0.000 -0.455) 0.581 26.442 ( -0.023 0.000 -0.039) 0.045 26.442 ( 0.023 0.000 -0.039) 0.045 33.902 ( -0.830 0.000 5.770) 5.829 33.902 ( 0.830 0.000 5.770) 5.829 34.884 ( -17.324 0.000 -6.279) 18.426 34.884 ( 17.324 0.000 -6.279) 18.426 36.760 ( -1.498 0.000 0.825) 1.710 36.760 ( 1.498 0.000 0.825) 1.710 39.223 ( -13.098 0.000 -0.469) 13.106 39.223 ( 13.098 0.000 -0.469) 13.106 ======================= Grid point 110 (37/120) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 19.556 16.655) 25.687 0.806 ( 0.000 17.383 20.833) 27.132 1.381 ( 0.000 34.545 29.175) 45.216 1.790 ( 0.000 -9.565 -1.567) 9.693 2.172 ( 0.000 4.302 -14.705) 15.321 2.202 ( 0.000 13.607 -12.276) 18.326 2.604 ( 0.000 -6.468 10.457) 12.296 2.741 ( 0.000 7.483 11.558) 13.769 2.794 ( 0.000 0.644 8.008) 8.034 3.012 ( 0.000 -1.765 6.282) 6.525 3.116 ( 0.000 -8.482 -1.919) 8.696 3.156 ( 0.000 -0.018 -0.508) 0.508 3.398 ( 0.000 -5.788 2.773) 6.418 3.610 ( 0.000 0.828 -1.833) 2.011 4.008 ( 0.000 -6.434 -3.608) 7.377 4.692 ( 0.000 9.126 0.166) 9.128 4.832 ( 0.000 6.634 2.359) 7.041 5.028 ( 0.000 -2.737 -1.810) 3.282 5.168 ( 0.000 0.123 -7.517) 7.518 6.311 ( 0.000 2.782 1.231) 3.042 6.366 ( 0.000 -2.034 -5.421) 5.790 6.700 ( 0.000 -12.819 1.133) 12.869 6.732 ( 0.000 1.088 -2.143) 2.404 6.918 ( 0.000 -24.958 26.717) 36.561 7.165 ( 0.000 6.625 -7.195) 9.781 7.248 ( 0.000 1.047 -2.807) 2.996 7.489 ( 0.000 10.634 7.130) 12.803 7.495 ( 0.000 2.145 1.842) 2.827 7.845 ( 0.000 -0.300 0.697) 0.759 7.850 ( 0.000 -7.123 3.922) 8.131 8.317 ( 0.000 -5.344 7.349) 9.087 8.364 ( 0.000 10.314 -0.487) 10.325 8.690 ( 0.000 4.255 -6.532) 7.796 9.085 ( 0.000 3.476 -17.863) 18.198 9.750 ( 0.000 -5.651 3.484) 6.639 9.837 ( 0.000 13.238 -5.187) 14.218 9.952 ( 0.000 4.373 -7.590) 8.760 10.095 ( 0.000 2.239 -7.473) 7.801 10.170 ( 0.000 -4.003 -1.378) 4.234 10.342 ( 0.000 1.474 -9.218) 9.335 10.939 ( 0.000 -0.551 19.493) 19.501 12.239 ( 0.000 -6.733 -5.543) 8.721 15.729 ( 0.000 1.559 3.315) 3.663 16.052 ( 0.000 -1.926 1.773) 2.618 16.150 ( 0.000 1.976 -2.509) 3.194 16.383 ( 0.000 -1.561 -1.652) 2.273 17.485 ( 0.000 4.736 0.746) 4.794 17.601 ( 0.000 5.877 -3.817) 7.007 18.117 ( 0.000 -1.689 -0.096) 1.692 18.159 ( 0.000 -2.061 -0.323) 2.086 19.740 ( 0.000 7.864 0.279) 7.869 20.210 ( 0.000 28.035 -30.887) 41.713 21.161 ( 0.000 -3.053 -0.089) 3.054 21.163 ( 0.000 -2.006 -0.138) 2.011 26.059 ( 0.000 1.267 0.222) 1.286 26.126 ( 0.000 1.161 -0.583) 1.299 26.437 ( 0.000 -1.168 -0.189) 1.183 26.454 ( 0.000 -1.818 -0.166) 1.826 33.429 ( 0.000 1.343 3.752) 3.985 33.843 ( 0.000 4.445 -1.765) 4.782 35.063 ( 0.000 -61.080 72.371) 94.701 36.203 ( 0.000 1.173 2.734) 2.976 36.344 ( 0.000 -3.013 1.800) 3.510 36.502 ( 0.000 -7.343 -1.337) 7.464 36.575 ( 0.000 -1.934 -0.015) 1.934 37.174 ( 0.000 -0.715 -9.242) 9.269 ======================= Grid point 111 (38/120) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 15.463 16.435 10.934) 25.075 0.987 ( 14.665 10.136 18.013) 25.343 1.789 ( 11.753 3.632 4.609) 13.136 1.802 ( 20.486 10.389 9.989) 25.048 2.147 ( 0.949 6.590 -15.244) 16.634 2.317 ( 6.850 8.784 -7.106) 13.213 2.530 ( -4.528 -3.332 14.274) 15.342 2.762 ( 2.553 4.748 11.635) 12.823 2.818 ( 4.095 2.438 4.053) 6.256 3.094 ( 4.616 -4.053 5.544) 8.275 3.113 ( 0.761 -6.168 -1.482) 6.389 3.181 ( 0.757 -0.893 -1.265) 1.724 3.387 ( -1.178 -5.577 2.907) 6.399 3.599 ( -0.528 1.524 -2.467) 2.947 4.018 ( 0.839 -6.035 -3.394) 6.974 4.558 ( -9.243 7.555 1.838) 12.078 4.819 ( -3.286 4.794 0.127) 5.813 4.991 ( -3.048 -0.636 4.842) 5.757 5.174 ( 0.863 0.917 -10.348) 10.425 6.260 ( -5.543 2.088 -4.136) 7.224 6.312 ( -3.884 1.776 -3.379) 5.446 6.649 ( -4.781 -11.357 9.983) 15.859 6.752 ( 1.394 0.004 -0.293) 1.425 6.854 ( -5.217 -4.913 8.817) 11.362 7.093 ( -5.546 2.971 -5.787) 8.548 7.336 ( 1.287 7.097 -2.117) 7.517 7.394 ( -7.533 4.793 -0.752) 8.960 7.573 ( 9.463 1.656 7.415) 12.136 7.763 ( -0.329 3.026 5.117) 5.954 8.002 ( 8.188 -1.016 -0.288) 8.256 8.132 ( -7.981 -1.537 1.552) 8.275 8.542 ( 5.323 5.313 4.752) 8.896 8.635 ( 4.514 -0.406 -2.702) 5.277 9.230 ( 7.688 -1.035 -10.015) 12.668 9.670 ( -6.384 -3.501 4.316) 8.464 9.905 ( -3.967 1.360 -7.822) 8.875 9.986 ( 0.253 -2.668 -0.805) 2.798 10.015 ( 4.895 3.333 -11.770) 13.176 10.214 ( 3.472 -4.791 -1.020) 6.004 10.459 ( 5.822 0.561 -11.928) 13.285 10.967 ( 2.268 -0.124 17.840) 17.984 12.184 ( -4.929 -6.031 -4.953) 9.230 15.780 ( 4.615 1.151 3.116) 5.687 16.071 ( 1.661 -2.062 1.608) 3.098 16.168 ( 1.077 1.478 -0.970) 2.070 16.380 ( -0.233 -1.058 -1.654) 1.977 17.433 ( -3.619 2.557 0.589) 4.470 17.589 ( -2.074 6.635 -1.071) 7.034 18.035 ( -5.727 -2.380 -2.054) 6.534 18.090 ( -5.810 -0.010 -0.888) 5.878 19.719 ( -1.384 7.496 0.020) 7.623 20.068 ( -8.119 23.524 -12.967) 28.061 21.132 ( -1.556 -3.721 -0.078) 4.034 21.178 ( 0.310 -1.504 -0.169) 1.544 26.077 ( 1.591 1.195 0.254) 2.006 26.128 ( 0.132 1.133 -0.484) 1.239 26.428 ( -0.648 -1.758 -0.149) 1.880 26.461 ( 0.423 -1.291 -0.099) 1.362 33.489 ( 5.457 1.086 3.725) 6.695 33.832 ( -0.576 2.210 1.227) 2.592 34.419 ( -21.175 -5.894 42.162) 47.548 36.257 ( 4.969 1.384 2.428) 5.701 36.326 ( -14.253 -10.343 -7.678) 19.211 36.553 ( 1.805 1.915 -1.868) 3.227 37.061 ( 29.530 -14.419 1.731) 32.908 38.145 ( 59.485 -41.047 -19.846) 74.947 ======================= Grid point 112 (39/120) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 18.822 9.393 6.545) 22.030 1.310 ( 14.644 6.094 8.045) 17.785 1.775 ( -2.320 -7.113 -1.455) 7.622 2.187 ( 2.342 4.798 -9.667) 11.044 2.255 ( 6.416 -0.703 -2.460) 6.908 2.468 ( 6.115 5.272 0.150) 8.075 2.735 ( 26.861 6.392 18.943) 33.485 2.833 ( 4.040 3.891 8.634) 10.296 2.913 ( 3.075 -1.258 -0.720) 3.399 3.164 ( 2.264 -6.188 1.473) 6.751 3.180 ( 2.322 -4.814 0.111) 5.346 3.200 ( 7.317 4.253 1.322) 8.566 3.358 ( -0.754 -3.018 3.743) 4.867 3.599 ( 0.358 3.281 -3.285) 4.656 4.035 ( 0.511 -4.482 -2.952) 5.391 4.356 ( -9.817 5.708 1.398) 11.442 4.669 ( -10.392 1.450 -2.715) 10.839 4.936 ( -2.214 4.971 11.104) 12.365 5.198 ( 0.840 -0.431 -12.445) 12.481 6.050 ( -13.956 2.575 -5.390) 15.181 6.194 ( -8.580 10.646 -3.279) 14.060 6.540 ( -5.356 -7.428 8.680) 12.618 6.609 ( -13.944 19.715 -0.882) 24.164 6.767 ( -4.461 -9.147 5.059) 11.365 6.938 ( -10.723 -4.500 -0.625) 11.646 7.243 ( -5.984 7.999 1.073) 10.047 7.377 ( 5.610 4.041 -6.965) 9.814 7.743 ( -9.663 -1.182 -4.806) 10.857 7.872 ( 14.133 -3.882 8.339) 16.863 7.951 ( 9.054 -1.897 5.395) 10.709 8.327 ( 15.115 4.721 1.645) 15.921 8.595 ( 3.685 1.399 -1.872) 4.364 8.874 ( 13.223 -0.465 6.296) 14.652 9.363 ( 5.257 -1.784 -5.036) 7.496 9.561 ( -2.735 -1.065 4.683) 5.527 9.818 ( -4.246 1.745 -5.899) 7.475 9.896 ( -3.726 -4.315 -3.709) 6.801 10.167 ( 4.404 -4.507 -6.842) 9.302 10.283 ( 2.620 -4.025 -1.135) 4.934 10.521 ( 0.400 0.052 -9.503) 9.511 11.028 ( 3.753 -0.343 15.102) 15.565 12.046 ( -7.982 -5.423 -4.086) 10.480 15.897 ( 5.936 0.396 2.601) 6.493 16.111 ( 1.685 -1.965 0.623) 2.663 16.186 ( 0.904 1.606 1.177) 2.186 16.373 ( -0.401 -0.485 -1.900) 2.002 17.360 ( -3.250 -0.036 0.773) 3.341 17.513 ( -4.697 5.064 0.336) 6.915 17.877 ( -8.483 0.150 -0.986) 8.542 17.998 ( -3.197 -1.212 -4.441) 5.604 19.699 ( -0.417 6.222 0.009) 6.236 19.941 ( -4.582 16.456 -3.561) 17.449 21.102 ( -1.287 -4.537 -0.039) 4.716 21.174 ( -0.669 -1.149 -0.183) 1.342 26.115 ( 1.848 1.068 0.043) 2.135 26.132 ( 0.224 1.052 -0.372) 1.138 26.416 ( -0.487 -2.294 -0.106) 2.348 26.466 ( 0.019 -0.652 -0.058) 0.655 33.635 ( 7.733 0.642 5.238) 9.362 33.846 ( 2.186 0.703 1.882) 2.969 34.227 ( -1.321 3.715 18.077) 18.502 35.984 ( -17.839 -8.478 -11.806) 23.011 36.401 ( 8.246 2.270 1.957) 8.774 36.626 ( 4.808 3.666 -0.401) 6.060 37.672 ( 29.628 -10.203 5.257) 31.774 38.972 ( 22.862 -32.379 -17.577) 43.359 ======================= Grid point 113 (40/120) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 3.389 -0.338 3.093) 4.601 1.683 ( 4.156 0.884 0.390) 4.267 1.708 ( 9.131 2.064 1.921) 9.557 2.251 ( 4.924 2.464 -4.776) 7.289 2.402 ( 9.098 -3.828 0.138) 9.872 2.609 ( 5.586 3.520 2.705) 7.135 2.922 ( 4.077 3.450 2.158) 5.760 2.935 ( 2.630 -0.703 0.529) 2.774 3.032 ( 2.540 -0.056 2.469) 3.543 3.115 ( -4.067 -8.578 0.564) 9.510 3.306 ( 5.796 -2.928 1.557) 6.678 3.381 ( 4.355 0.747 3.994) 5.956 3.585 ( 4.073 3.140 -1.813) 5.453 3.667 ( 24.034 6.376 5.394) 25.444 4.024 ( -1.771 -2.459 -0.481) 3.068 4.168 ( -7.389 6.258 -1.599) 9.814 4.425 ( -11.863 0.861 -2.431) 12.140 4.892 ( -1.691 7.648 9.528) 12.334 5.174 ( -3.788 -3.686 -12.082) 13.187 5.695 ( -19.127 6.187 -3.107) 20.341 5.975 ( -11.200 16.900 -1.884) 20.362 6.261 ( -17.008 20.354 -4.294) 26.870 6.468 ( -3.618 -6.612 4.412) 8.733 6.619 ( -9.035 -2.465 4.606) 10.437 6.669 ( -11.846 -2.247 3.658) 12.600 7.141 ( -5.585 2.555 1.261) 6.270 7.500 ( -0.832 -3.058 -3.613) 4.806 7.528 ( -1.062 0.349 -3.196) 3.386 8.091 ( 11.168 -10.522 5.878) 16.431 8.353 ( 19.676 -5.314 2.026) 20.482 8.629 ( 12.242 7.300 0.764) 14.274 8.715 ( 8.385 3.767 -0.333) 9.199 9.135 ( 11.448 -0.755 4.884) 12.469 9.468 ( 5.365 -1.655 -2.007) 5.962 9.573 ( 3.615 -0.093 4.446) 5.731 9.727 ( -4.071 4.924 -2.702) 6.937 9.845 ( -1.829 -10.708 -3.879) 11.535 10.190 ( -2.019 0.601 -4.858) 5.295 10.314 ( 0.495 -4.592 -1.662) 4.908 10.493 ( -2.688 -0.055 -5.244) 5.893 11.131 ( 6.081 -1.255 10.350) 12.069 11.861 ( -9.493 -4.880 -2.998) 11.087 16.007 ( 4.248 -0.022 1.704) 4.577 16.127 ( -0.072 -0.400 0.101) 0.418 16.219 ( 2.151 0.435 0.989) 2.407 16.361 ( -0.838 -0.191 -2.086) 2.256 17.302 ( -2.185 -1.037 1.043) 2.634 17.411 ( -4.643 2.527 0.312) 5.295 17.732 ( -4.783 1.756 -0.390) 5.110 17.924 ( -4.132 -1.504 -4.181) 6.068 19.700 ( 0.416 5.878 0.047) 5.893 19.860 ( -3.397 12.522 -1.214) 13.032 21.082 ( -0.553 -4.722 -0.013) 4.754 21.152 ( -1.330 -1.510 -0.164) 2.019 26.138 ( 0.345 0.968 -0.313) 1.075 26.147 ( 1.058 1.009 -0.259) 1.484 26.410 ( -0.059 -2.328 -0.092) 2.331 26.461 ( -0.514 -0.401 -0.042) 0.653 33.778 ( 5.591 0.334 8.031) 9.791 33.911 ( 3.158 2.811 0.195) 4.232 34.296 ( 7.710 1.887 6.651) 10.355 35.598 ( -18.722 -6.404 -11.310) 22.792 36.581 ( 8.522 3.525 1.409) 9.330 36.734 ( 4.971 5.271 0.226) 7.249 38.272 ( 26.976 -9.308 5.200) 29.006 39.251 ( 6.033 -20.188 -10.171) 23.396 ======================= Grid point 114 (41/120) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -0.542 -2.551 2.706) 3.758 1.581 ( -4.902 -3.592 1.657) 6.299 2.047 ( 14.683 4.050 0.090) 15.232 2.362 ( 3.586 0.971 -5.758) 6.853 2.596 ( 5.626 -4.040 0.666) 6.959 2.639 ( 0.896 -0.131 3.695) 3.804 2.950 ( -2.903 -4.063 -1.650) 5.259 3.001 ( 1.382 -2.939 -0.559) 3.295 3.080 ( 6.410 2.811 2.558) 7.452 3.174 ( 9.634 6.933 2.641) 12.160 3.296 ( -4.189 -0.535 3.613) 5.557 3.562 ( -3.171 4.203 -1.928) 5.607 3.580 ( 11.768 0.326 1.050) 11.820 3.891 ( -4.086 -3.787 4.623) 7.239 4.001 ( -5.317 4.483 -3.365) 7.726 4.089 ( -7.158 -0.041 1.154) 7.251 4.387 ( 17.319 2.669 -3.788) 17.928 4.886 ( 1.200 6.542 2.973) 7.286 5.040 ( -8.313 -3.295 -7.751) 11.834 5.304 ( -16.945 8.590 -1.435) 19.052 5.776 ( -6.642 20.116 -1.137) 21.214 5.935 ( -13.271 19.345 -4.728) 23.931 6.330 ( -7.366 -0.747 4.198) 8.511 6.385 ( -9.708 1.068 3.799) 10.479 6.626 ( 4.283 -3.375 4.737) 7.223 6.968 ( -9.972 -1.941 -0.178) 10.161 7.474 ( 2.175 -3.127 -0.029) 3.809 7.575 ( 0.191 -1.207 -0.940) 1.542 8.340 ( 11.896 -13.567 2.086) 18.164 8.609 ( 3.277 -11.233 1.248) 11.768 8.842 ( 10.060 4.271 0.486) 10.940 8.919 ( 7.877 4.732 0.662) 9.213 9.355 ( 10.013 2.508 2.051) 10.524 9.560 ( 2.900 0.107 -0.262) 2.914 9.659 ( -2.531 3.625 0.188) 4.425 9.726 ( 9.565 -0.137 3.232) 10.097 9.779 ( -4.446 -8.631 -2.667) 10.068 10.107 ( -5.163 3.913 -1.705) 6.699 10.315 ( -0.014 -3.902 -2.342) 4.551 10.420 ( -4.079 -0.679 -2.784) 4.985 11.279 ( 7.989 -2.160 5.121) 9.732 11.658 ( -9.745 -4.099 -1.411) 10.665 16.072 ( 2.125 0.024 0.749) 2.253 16.118 ( -0.586 0.430 0.090) 0.732 16.265 ( 2.100 -0.208 -0.467) 2.161 16.338 ( -1.343 -0.139 -2.024) 2.433 17.273 ( -0.528 -0.965 1.186) 1.617 17.329 ( -3.141 0.874 0.608) 3.316 17.684 ( 0.164 1.393 -0.323) 1.440 17.826 ( -4.992 -0.854 -2.637) 5.710 19.716 ( 1.148 6.623 -0.007) 6.722 19.796 ( -2.672 9.980 -0.468) 10.342 21.080 ( 0.336 -4.275 -0.022) 4.289 21.122 ( -1.464 -2.370 -0.121) 2.788 26.146 ( 0.460 0.941 -0.348) 1.104 26.159 ( 0.140 1.000 -0.410) 1.090 26.414 ( 0.458 -1.907 -0.074) 1.963 26.446 ( -0.855 -0.638 -0.045) 1.068 33.872 ( 3.592 1.153 7.238) 8.162 33.948 ( 0.329 3.785 2.859) 4.755 34.531 ( 13.982 -1.010 -1.121) 14.063 35.214 ( -17.897 -4.480 -8.923) 20.494 36.737 ( 6.003 4.810 1.008) 7.758 36.814 ( 2.346 5.947 0.524) 6.415 38.770 ( 20.246 -9.365 2.960) 22.502 39.272 ( -3.589 -13.712 -4.626) 14.910 ======================= Grid point 115 (42/120) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -1.907 -3.245 2.831) 4.710 1.507 ( 1.907 -3.245 2.831) 4.710 2.301 ( -8.994 1.892 -2.865) 9.627 2.301 ( 8.994 1.892 -2.865) 9.627 2.649 ( -3.547 -4.946 1.509) 6.270 2.649 ( 3.547 -4.946 1.509) 6.270 2.979 ( -4.267 -0.441 -3.692) 5.660 2.979 ( 4.267 -0.441 -3.692) 5.660 3.184 ( -4.444 3.425 7.268) 9.182 3.184 ( 4.444 3.425 7.268) 9.182 3.422 ( -10.461 4.670 -0.215) 11.458 3.422 ( 10.461 4.670 -0.215) 11.458 3.814 ( -7.206 -1.374 1.045) 7.410 3.814 ( 7.206 -1.374 1.045) 7.410 3.913 ( -2.442 1.271 -1.158) 2.986 3.913 ( 2.442 1.271 -1.158) 2.986 4.761 ( -14.731 -2.650 -6.308) 16.242 4.761 ( 14.731 -2.650 -6.308) 16.242 5.028 ( -8.767 8.879 0.988) 12.517 5.028 ( 8.767 8.879 0.988) 12.517 5.744 ( -4.139 20.118 -2.955) 20.751 5.744 ( 4.139 20.118 -2.955) 20.751 6.261 ( -1.560 1.708 5.197) 5.689 6.261 ( 1.560 1.708 5.197) 5.689 6.768 ( -8.613 -3.310 1.503) 9.349 6.768 ( 8.613 -3.310 1.503) 9.349 7.539 ( -3.095 -2.626 -0.100) 4.060 7.539 ( 3.095 -2.626 -0.100) 4.060 8.551 ( -7.409 -12.585 1.491) 14.680 8.551 ( 7.409 -12.585 1.491) 14.680 8.982 ( -2.093 1.627 0.506) 2.698 8.982 ( 2.093 1.627 0.506) 2.698 9.570 ( -8.732 1.006 -1.312) 8.887 9.570 ( 8.732 1.006 -1.312) 8.887 9.622 ( -2.592 1.186 1.468) 3.206 9.622 ( 2.592 1.186 1.468) 3.206 9.963 ( -9.425 0.866 1.305) 9.554 9.963 ( 9.425 0.866 1.305) 9.554 10.341 ( -2.862 -1.809 -2.537) 4.231 10.341 ( 2.862 -1.809 -2.537) 4.231 11.459 ( -9.192 -3.127 1.147) 9.777 11.459 ( 9.192 -3.127 1.147) 9.777 16.103 ( -0.970 0.346 0.193) 1.048 16.103 ( 0.970 0.346 0.193) 1.048 16.305 ( -1.758 -0.228 -1.544) 2.351 16.305 ( 1.758 -0.228 -1.544) 2.351 17.282 ( -1.379 -0.239 1.025) 1.735 17.282 ( 1.379 -0.239 1.025) 1.735 17.730 ( -3.818 0.241 -1.123) 3.987 17.730 ( 3.818 0.241 -1.123) 3.987 19.748 ( -1.918 8.054 -0.158) 8.281 19.748 ( 1.918 8.054 -0.158) 8.281 21.095 ( -1.085 -3.398 -0.065) 3.568 21.095 ( 1.085 -3.398 -0.065) 3.568 26.155 ( -0.378 0.972 -0.411) 1.121 26.155 ( 0.378 0.972 -0.411) 1.121 26.428 ( -0.830 -1.238 -0.058) 1.491 26.428 ( 0.830 -1.238 -0.058) 1.491 33.930 ( -1.913 2.655 5.241) 6.178 33.930 ( 1.913 2.655 5.241) 6.178 34.853 ( -16.513 -2.814 -5.656) 17.680 34.853 ( 16.513 -2.814 -5.656) 17.680 36.821 ( -1.845 5.717 0.741) 6.053 36.821 ( 1.845 5.717 0.741) 6.053 39.108 ( -12.018 -10.582 -0.399) 16.018 39.108 ( 12.018 -10.582 -0.399) 16.018 ======================= Grid point 121 (43/120) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 11.752 20.946) 24.018 1.185 ( 0.000 22.721 9.303) 24.552 1.602 ( 0.000 -7.686 1.881) 7.913 2.177 ( 0.000 28.713 -0.995) 28.730 2.302 ( 0.000 7.698 -6.486) 10.066 2.462 ( 0.000 8.469 -6.367) 10.596 2.520 ( 0.000 5.649 14.902) 15.936 2.755 ( 0.000 -6.147 4.759) 7.774 2.861 ( 0.000 3.082 6.702) 7.376 2.955 ( 0.000 -2.958 3.371) 4.484 2.965 ( 0.000 -2.498 3.757) 4.512 3.157 ( 0.000 -0.095 -0.000) 0.095 3.296 ( 0.000 -2.050 3.402) 3.972 3.607 ( 0.000 -1.784 -2.193) 2.827 3.828 ( 0.000 -10.438 -0.254) 10.441 4.845 ( 0.000 6.478 -0.372) 6.489 4.860 ( 0.000 -7.658 -3.042) 8.240 5.017 ( 0.000 1.763 -10.465) 10.612 5.230 ( 0.000 8.326 9.823) 12.876 6.235 ( 0.000 -11.309 0.928) 11.347 6.385 ( 0.000 1.217 3.489) 3.695 6.398 ( 0.000 -11.960 3.814) 12.554 6.610 ( 0.000 -3.467 14.446) 14.856 6.842 ( 0.000 5.063 -3.127) 5.951 7.229 ( 0.000 -1.816 -1.950) 2.665 7.242 ( 0.000 1.525 -7.076) 7.238 7.565 ( 0.000 -0.715 -3.244) 3.322 7.651 ( 0.000 2.247 5.098) 5.571 7.767 ( 0.000 3.568 5.560) 6.606 7.906 ( 0.000 7.652 -1.591) 7.815 8.205 ( 0.000 -3.144 5.200) 6.077 8.605 ( 0.000 12.252 -0.902) 12.285 8.819 ( 0.000 7.345 -5.011) 8.892 9.190 ( 0.000 4.655 -18.609) 19.182 9.581 ( 0.000 -9.669 5.362) 11.056 9.875 ( 0.000 -5.136 2.769) 5.835 9.902 ( 0.000 -7.869 -6.530) 10.226 10.132 ( 0.000 -3.286 0.978) 3.429 10.174 ( 0.000 5.001 -6.189) 7.957 10.392 ( 0.000 3.640 -8.702) 9.433 10.970 ( 0.000 4.922 15.265) 16.039 12.057 ( 0.000 -10.677 -4.351) 11.530 15.771 ( 0.000 2.482 3.393) 4.204 16.007 ( 0.000 -2.333 1.928) 3.027 16.194 ( 0.000 2.160 -2.423) 3.246 16.353 ( 0.000 -1.455 -2.166) 2.609 17.609 ( 0.000 6.565 0.699) 6.602 17.698 ( 0.000 4.077 -1.131) 4.230 18.074 ( 0.000 -2.484 -0.515) 2.536 18.101 ( 0.000 -3.315 -0.389) 3.337 19.971 ( 0.000 13.764 0.764) 13.786 20.587 ( 0.000 11.179 -19.697) 22.648 21.060 ( 0.000 -6.654 0.041) 6.655 21.103 ( 0.000 -3.742 -0.689) 3.805 26.093 ( 0.000 1.990 -0.079) 1.992 26.158 ( 0.000 1.716 -0.805) 1.895 26.406 ( 0.000 -2.598 -0.113) 2.601 26.411 ( 0.000 -1.398 -0.793) 1.607 33.468 ( 0.000 2.404 5.490) 5.994 33.853 ( 0.000 -5.316 15.088) 15.997 34.505 ( 0.000 -0.185 24.672) 24.673 36.096 ( 0.000 -19.968 -6.401) 20.969 36.237 ( 0.000 1.963 2.764) 3.390 36.381 ( 0.000 -1.930 5.820) 6.132 36.602 ( 0.000 2.635 -2.311) 3.505 37.088 ( 0.000 -6.199 -6.392) 8.904 ======================= Grid point 122 (44/120) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 9.088 10.035 15.074) 20.262 1.305 ( 10.487 19.364 7.858) 23.381 1.606 ( 0.301 -7.849 1.387) 7.976 2.249 ( 2.577 10.614 -9.364) 14.387 2.298 ( -0.873 4.194 0.171) 4.287 2.504 ( 3.073 6.044 -3.099) 7.455 2.587 ( 8.538 13.447 15.541) 22.254 2.780 ( 5.159 1.123 6.872) 8.666 2.887 ( 1.880 2.323 2.194) 3.707 2.995 ( 3.925 -2.484 4.285) 6.319 3.008 ( 2.953 -2.678 3.102) 5.051 3.170 ( 1.238 -0.695 0.092) 1.422 3.302 ( 0.925 -0.251 3.612) 3.737 3.617 ( 1.162 -0.860 -3.407) 3.701 3.844 ( 1.616 -9.981 0.193) 10.113 4.709 ( -9.797 6.316 -1.173) 11.715 4.811 ( -5.440 -6.484 -2.505) 8.827 5.015 ( -0.137 1.718 -10.305) 10.448 5.257 ( 1.356 8.352 9.448) 12.684 6.225 ( -0.806 -8.295 -1.767) 8.519 6.287 ( -6.407 -6.318 8.460) 12.350 6.446 ( 3.640 -5.302 -0.093) 6.432 6.678 ( 3.944 4.197 9.568) 11.168 6.905 ( 2.722 1.662 -4.743) 5.716 7.167 ( -6.383 2.728 -3.644) 7.840 7.392 ( 11.155 0.177 -1.157) 11.217 7.551 ( -3.831 9.743 -3.874) 11.163 7.636 ( 0.050 -0.008 5.584) 5.584 7.812 ( 2.032 4.310 4.305) 6.421 7.995 ( 11.937 -0.171 0.746) 11.961 8.044 ( -11.417 -2.981 0.802) 11.827 8.707 ( -6.996 8.090 -4.619) 11.650 8.744 ( 9.910 10.991 1.594) 14.885 9.255 ( 4.165 1.292 -13.253) 13.952 9.521 ( -3.853 -9.136 3.857) 10.639 9.787 ( -7.736 -9.137 -5.790) 13.299 9.911 ( 1.564 -5.613 0.810) 5.883 10.114 ( -4.007 1.160 1.888) 4.579 10.184 ( 4.169 1.718 -2.394) 5.106 10.444 ( 2.812 -0.385 -11.514) 11.859 10.993 ( 1.789 3.871 14.701) 15.307 12.010 ( -4.369 -10.453 -3.986) 12.011 15.813 ( 3.778 1.998 2.950) 5.193 16.025 ( 1.613 -2.325 1.556) 3.229 16.205 ( 0.819 1.945 -1.339) 2.499 16.356 ( 0.239 -1.268 -2.072) 2.441 17.516 ( -6.227 4.752 0.434) 7.845 17.704 ( -2.237 4.383 -0.144) 4.923 17.982 ( -5.232 -2.392 -1.295) 5.896 18.078 ( -3.733 -1.081 -0.584) 3.930 19.944 ( -2.120 13.476 0.323) 13.645 20.474 ( -8.549 14.793 -12.604) 21.232 21.022 ( -2.531 -6.950 -0.121) 7.397 21.122 ( 0.781 -3.802 -0.520) 3.916 26.110 ( 1.468 1.925 -0.074) 2.422 26.159 ( 0.077 1.714 -0.665) 1.840 26.390 ( -1.120 -1.871 -0.660) 2.278 26.422 ( 0.752 -2.258 -0.009) 2.380 33.522 ( 4.924 2.053 5.384) 7.580 33.821 ( -1.442 -3.624 14.049) 14.581 34.427 ( -4.275 7.949 14.387) 16.983 36.005 ( -10.338 -19.376 -7.176) 23.104 36.300 ( 5.894 2.522 2.278) 6.804 36.610 ( 4.528 2.280 -1.375) 5.253 36.770 ( 28.455 -9.411 -0.262) 29.972 37.553 ( 36.764 -19.025 -3.414) 41.535 ======================= Grid point 123 (45/120) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 8.032 3.781 6.187) 10.821 1.578 ( 14.052 13.128 4.075) 19.657 1.606 ( 0.130 -6.510 0.916) 6.575 2.258 ( -0.412 3.232 -2.164) 3.911 2.282 ( 1.544 1.971 2.465) 3.513 2.588 ( 4.904 3.963 -2.178) 6.671 2.742 ( 5.491 -5.174 3.688) 8.398 2.903 ( 2.179 1.069 5.829) 6.314 2.956 ( 0.031 -5.342 0.532) 5.369 3.075 ( 6.981 6.274 4.756) 10.522 3.115 ( 4.046 0.158 3.174) 5.145 3.314 ( 15.614 7.920 3.422) 17.840 3.356 ( 6.310 5.007 3.853) 8.929 3.658 ( 2.571 1.228 -4.989) 5.746 3.892 ( 2.692 -8.328 0.722) 8.782 4.495 ( -10.033 6.478 -2.294) 12.161 4.649 ( -9.636 -3.722 -2.467) 10.621 5.013 ( -0.394 -0.610 -10.603) 10.627 5.253 ( -2.042 8.176 8.953) 12.295 6.103 ( -9.538 1.513 0.765) 9.688 6.246 ( 0.749 -9.577 2.781) 10.001 6.501 ( 0.706 -6.341 2.057) 6.704 6.659 ( -5.818 15.419 2.266) 16.635 6.852 ( -9.923 -0.520 -5.188) 11.210 7.068 ( -3.978 14.730 3.125) 15.574 7.410 ( -7.755 7.315 0.502) 10.672 7.461 ( -2.075 6.363 -6.681) 9.457 7.675 ( -9.061 -6.192 -5.073) 12.090 7.827 ( 5.522 1.625 7.475) 9.434 7.915 ( 7.751 -1.331 4.585) 9.103 8.391 ( 20.280 0.119 1.370) 20.327 8.632 ( 2.413 4.894 -0.958) 5.540 8.964 ( 9.203 6.942 2.142) 11.725 9.313 ( 2.640 -5.474 -4.120) 7.342 9.500 ( 2.117 -3.004 0.580) 3.721 9.644 ( -4.918 -10.224 -4.809) 12.323 9.935 ( -1.417 -3.482 -1.324) 3.986 10.026 ( -2.037 -3.111 1.519) 4.017 10.278 ( 3.836 1.109 -1.855) 4.402 10.473 ( -0.101 -3.545 -10.379) 10.968 11.037 ( 2.591 2.078 12.950) 13.369 11.885 ( -7.321 -9.823 -3.120) 12.642 15.912 ( 5.123 1.004 2.080) 5.620 16.068 ( 2.283 -2.091 0.510) 3.137 16.221 ( 0.688 1.798 0.371) 1.960 16.359 ( 0.003 -0.900 -1.902) 2.105 17.392 ( -5.264 2.717 0.668) 5.962 17.590 ( -7.340 1.852 -0.068) 7.571 17.886 ( -4.829 0.998 -0.811) 4.998 17.980 ( -4.553 -0.472 -1.842) 4.934 19.904 ( -1.318 12.697 -0.014) 12.765 20.302 ( -7.399 16.615 -4.932) 18.845 20.974 ( -1.869 -7.731 -0.097) 7.955 21.122 ( -0.869 -3.900 -0.416) 4.018 26.146 ( 1.702 1.747 -0.196) 2.447 26.161 ( 0.129 1.665 -0.378) 1.712 26.369 ( -0.767 -2.048 -0.399) 2.223 26.435 ( 0.424 -2.169 -0.038) 2.211 33.656 ( 7.263 1.447 6.323) 9.738 33.841 ( 3.667 -1.288 7.473) 8.423 34.371 ( -1.192 10.220 6.961) 12.423 35.732 ( -14.780 -15.132 -9.780) 23.304 36.470 ( 9.972 4.370 1.413) 10.979 36.736 ( 7.324 6.439 -0.292) 9.756 37.405 ( 30.685 -13.480 1.158) 33.535 38.295 ( 29.659 -29.266 -5.165) 41.986 ======================= Grid point 124 (46/120) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.722 -2.288 2.597) 3.535 1.558 ( -3.650 -7.555 1.437) 8.513 1.900 ( 14.729 10.890 1.363) 18.369 2.278 ( 2.437 1.161 0.394) 2.728 2.404 ( 9.667 2.963 3.669) 10.756 2.667 ( 0.841 -0.459 0.159) 0.971 2.861 ( 0.839 -4.513 -0.284) 4.599 2.881 ( 0.882 -7.274 -0.999) 7.395 2.964 ( 5.430 0.113 2.655) 6.045 3.176 ( 4.829 7.089 4.262) 9.578 3.252 ( 6.503 -1.087 0.936) 6.659 3.446 ( 5.506 6.109 4.191) 9.230 3.636 ( 2.885 1.013 -3.380) 4.557 3.795 ( 10.842 4.367 3.489) 12.198 3.963 ( 6.587 -1.813 1.186) 6.934 4.318 ( -6.147 6.832 -4.692) 10.319 4.424 ( -11.056 -0.866 -2.492) 11.367 4.975 ( -3.767 -5.831 -10.654) 12.717 5.183 ( -3.641 10.390 7.676) 13.422 5.856 ( -13.911 7.865 0.537) 15.989 6.279 ( 2.229 -5.169 0.969) 5.712 6.434 ( -9.550 10.870 -2.894) 14.756 6.480 ( -7.590 -1.264 0.835) 7.740 6.643 ( -8.415 8.973 1.996) 12.462 6.857 ( -13.387 24.438 2.042) 27.939 7.198 ( -12.613 1.731 0.921) 12.765 7.422 ( -3.799 -2.044 -2.595) 5.034 7.538 ( 0.289 -0.107 -4.650) 4.660 7.925 ( 5.047 -4.736 6.812) 9.711 8.186 ( 12.740 -9.080 2.113) 15.787 8.736 ( 10.797 3.582 2.038) 11.557 8.809 ( 12.069 3.706 0.125) 12.626 9.115 ( 8.030 -3.536 1.471) 8.896 9.453 ( 9.376 -0.356 -1.636) 9.525 9.567 ( 3.249 -5.654 -1.142) 6.620 9.592 ( 0.888 -4.168 0.405) 4.281 9.836 ( -5.657 3.160 -1.262) 6.601 10.049 ( 1.914 -10.223 -0.189) 10.402 10.325 ( 0.486 2.132 -2.827) 3.575 10.444 ( -2.436 -4.018 -6.418) 7.955 11.111 ( 4.582 -0.017 9.208) 10.285 11.717 ( -8.450 -8.656 -2.030) 12.266 16.010 ( 4.022 0.394 1.071) 4.180 16.110 ( 1.484 -1.163 -0.587) 1.975 16.237 ( 0.937 1.246 0.905) 1.802 16.353 ( -0.658 -0.628 -1.768) 1.988 17.304 ( -3.107 1.096 0.946) 3.428 17.443 ( -6.208 0.394 -0.156) 6.222 17.780 ( -4.514 2.623 -0.096) 5.222 17.894 ( -4.010 -1.109 -2.208) 4.711 19.895 ( 0.430 12.164 0.004) 12.172 20.166 ( -5.731 15.765 -1.819) 16.873 20.949 ( -0.462 -8.004 -0.048) 8.017 21.089 ( -2.136 -4.610 -0.302) 5.090 26.164 ( 0.297 1.478 -0.404) 1.561 26.176 ( 1.007 1.733 -0.139) 2.009 26.361 ( 0.039 -2.163 -0.255) 2.178 26.436 ( -0.395 -1.907 -0.071) 1.949 33.799 ( 6.175 1.660 7.769) 10.062 33.958 ( 6.323 1.102 0.676) 6.454 34.380 ( 2.629 6.657 4.308) 8.354 35.409 ( -15.817 -11.335 -9.291) 21.564 36.691 ( 10.482 6.889 0.830) 12.571 36.887 ( 6.523 8.992 0.367) 11.115 38.018 ( 27.108 -13.858 2.193) 30.524 38.745 ( 13.855 -25.972 -4.542) 29.785 ======================= Grid point 125 (47/120) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -2.051 -4.965 4.099) 6.757 1.469 ( -4.194 -6.831 3.666) 8.814 2.170 ( 10.980 7.023 -1.679) 13.141 2.354 ( 4.167 -0.630 0.753) 4.281 2.573 ( 1.768 0.258 0.944) 2.021 2.605 ( -5.207 -2.650 2.454) 6.337 2.828 ( 5.082 -3.798 -2.595) 6.854 3.018 ( 6.693 2.901 -0.241) 7.299 3.153 ( 8.724 -0.787 2.963) 9.247 3.279 ( 3.340 7.423 5.823) 10.008 3.327 ( 2.708 1.874 -4.581) 5.642 3.578 ( 5.782 1.010 4.812) 7.590 3.649 ( 1.407 2.614 -2.700) 4.013 3.814 ( -3.863 -2.917 4.413) 6.550 4.052 ( -4.947 -1.131 0.631) 5.114 4.144 ( -10.621 6.883 -4.139) 13.316 4.430 ( 12.352 0.923 -5.331) 13.485 4.856 ( -7.128 -8.575 -9.176) 14.441 5.155 ( 1.939 13.367 3.836) 14.041 5.549 ( -14.560 13.370 -0.104) 19.768 6.212 ( -7.302 6.498 -3.083) 10.249 6.279 ( -6.600 10.442 -3.211) 12.764 6.378 ( -0.086 4.348 1.490) 4.597 6.518 ( -4.234 14.033 2.578) 14.883 6.627 ( -5.558 15.335 6.832) 17.684 6.925 ( -12.551 -1.190 0.758) 12.630 7.397 ( 1.652 -3.647 -0.146) 4.006 7.532 ( -2.113 -2.934 -0.566) 3.660 8.083 ( 9.518 -10.027 2.568) 14.062 8.344 ( 1.637 -12.359 1.565) 12.564 8.882 ( 5.465 -1.416 1.422) 5.822 8.994 ( 4.139 0.405 0.656) 4.210 9.345 ( 11.570 -2.690 1.033) 11.923 9.565 ( 0.927 -7.731 -2.238) 8.102 9.598 ( 2.496 1.171 -0.942) 2.914 9.732 ( -3.255 2.971 -0.154) 4.410 9.770 ( 11.140 3.531 3.255) 12.131 10.066 ( -0.816 -7.464 -0.179) 7.511 10.308 ( -1.366 2.500 -3.569) 4.566 10.380 ( -3.602 -2.569 -3.036) 5.366 11.227 ( 6.420 -2.311 4.895) 8.397 11.541 ( -8.291 -6.863 -0.602) 10.780 16.076 ( 2.367 0.389 0.133) 2.403 16.125 ( -0.013 0.131 -0.787) 0.798 16.263 ( 1.567 0.146 -0.072) 1.576 16.331 ( -1.344 -0.512 -1.608) 2.157 17.264 ( -0.633 0.180 1.085) 1.269 17.337 ( -3.948 -0.101 0.312) 3.962 17.720 ( -1.033 1.846 -0.119) 2.118 17.808 ( -4.066 -0.755 -1.488) 4.395 19.921 ( 1.998 12.362 -0.008) 12.522 20.059 ( -4.524 14.417 -0.666) 15.125 20.955 ( 1.010 -7.639 -0.043) 7.705 21.038 ( -2.545 -5.684 -0.189) 6.231 26.173 ( 0.502 1.515 -0.307) 1.625 26.188 ( 0.116 1.695 -0.271) 1.720 26.370 ( 0.836 -2.116 -0.164) 2.282 26.420 ( -1.104 -1.820 -0.082) 2.130 33.917 ( 5.105 3.017 6.139) 8.536 34.040 ( 0.794 4.404 1.030) 4.592 34.513 ( 10.096 -0.240 0.319) 10.103 35.081 ( -15.374 -7.938 -7.059) 18.687 36.884 ( 7.499 9.020 0.579) 11.745 36.987 ( 2.702 10.225 0.522) 10.589 38.509 ( 19.350 -14.699 1.498) 24.346 38.899 ( 1.334 -20.637 -2.461) 20.826 ======================= Grid point 126 (48/120) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.302 -6.120 5.021) 8.023 1.407 ( 1.302 -6.120 5.021) 8.023 2.359 ( -6.202 2.762 -3.494) 7.636 2.359 ( 6.202 2.762 -3.494) 7.636 2.536 ( -2.223 -3.690 4.181) 6.003 2.536 ( 2.223 -3.690 4.181) 6.003 3.018 ( -8.427 2.657 -5.352) 10.330 3.018 ( 8.427 2.657 -5.352) 10.330 3.251 ( -4.961 3.235 7.303) 9.403 3.251 ( 4.961 3.235 7.303) 9.403 3.516 ( -10.847 3.395 -2.130) 11.564 3.516 ( 10.847 3.395 -2.130) 11.564 3.750 ( -6.114 -4.303 4.521) 8.737 3.750 ( 6.114 -4.303 4.521) 8.737 3.973 ( -4.553 4.856 -3.070) 7.330 3.973 ( 4.553 4.856 -3.070) 7.330 4.680 ( -10.132 -5.114 -7.106) 13.390 4.680 ( 10.132 -5.114 -7.106) 13.390 5.283 ( -10.121 14.547 0.579) 17.731 5.283 ( 10.121 14.547 0.579) 17.731 6.160 ( -2.514 9.518 -3.966) 10.613 6.160 ( 2.514 9.518 -3.966) 10.613 6.412 ( -3.836 18.277 4.797) 19.282 6.412 ( 3.836 18.277 4.797) 19.282 6.696 ( -8.809 -0.972 2.805) 9.296 6.696 ( 8.809 -0.972 2.805) 9.296 7.463 ( -3.895 -4.469 0.228) 5.932 7.463 ( 3.895 -4.469 0.228) 5.932 8.272 ( -7.418 -12.408 1.472) 14.531 8.272 ( 7.418 -12.408 1.472) 14.531 8.988 ( -3.782 -3.038 1.059) 4.965 8.988 ( 3.782 -3.038 1.059) 4.965 9.524 ( -5.074 -3.659 -0.580) 6.282 9.524 ( 5.074 -3.659 -0.580) 6.282 9.661 ( -3.246 2.580 0.246) 4.154 9.661 ( 3.246 2.580 0.246) 4.154 9.985 ( -7.500 -0.491 1.355) 7.637 9.985 ( 7.500 -0.491 1.355) 7.637 10.311 ( -2.157 -0.265 -2.939) 3.656 10.311 ( 2.157 -0.265 -2.939) 3.656 11.374 ( -7.567 -4.644 1.579) 9.018 11.374 ( 7.567 -4.644 1.579) 9.018 16.112 ( -1.165 0.546 -0.471) 1.370 16.112 ( 1.165 0.546 -0.471) 1.370 16.299 ( -1.721 -0.389 -1.145) 2.103 16.299 ( 1.721 -0.389 -1.145) 2.103 17.277 ( -1.807 -0.167 0.858) 2.008 17.277 ( 1.807 -0.167 0.858) 2.008 17.737 ( -2.423 0.402 -0.627) 2.535 17.737 ( 2.423 0.402 -0.627) 2.535 19.977 ( -3.337 13.193 -0.193) 13.610 19.977 ( 3.337 13.193 -0.193) 13.610 20.988 ( -2.106 -6.787 -0.095) 7.107 20.988 ( 2.106 -6.787 -0.095) 7.107 26.183 ( -0.453 1.626 -0.300) 1.714 26.183 ( 0.453 1.626 -0.300) 1.714 26.394 ( -1.283 -1.949 -0.107) 2.336 26.394 ( 1.283 -1.949 -0.107) 2.336 34.007 ( -3.326 4.503 3.721) 6.722 34.007 ( 3.326 4.503 3.721) 6.722 34.772 ( -14.022 -4.719 -3.909) 15.302 34.772 ( 14.022 -4.719 -3.909) 15.302 36.990 ( -2.520 10.190 0.524) 10.510 36.990 ( 2.520 10.190 0.524) 10.510 38.812 ( -9.475 -16.791 -0.252) 19.281 38.812 ( 9.475 -16.791 -0.252) 19.281 ======================= Grid point 132 (49/120) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 8.556 11.957) 14.703 1.484 ( 0.000 -3.650 3.420) 5.001 1.652 ( 0.000 21.493 5.587) 22.208 2.304 ( 0.000 -1.739 9.677) 9.832 2.400 ( 0.000 -5.814 -1.939) 6.129 2.481 ( 0.000 -5.367 8.685) 10.210 2.500 ( 0.000 -0.021 -5.300) 5.300 2.844 ( 0.000 -6.747 -5.388) 8.634 2.970 ( 0.000 3.405 5.700) 6.640 2.973 ( 0.000 5.841 1.012) 5.928 3.139 ( 0.000 -1.195 1.286) 1.755 3.219 ( 0.000 35.521 4.522) 35.808 3.352 ( 0.000 6.219 3.592) 7.182 3.468 ( 0.000 -11.786 -4.142) 12.493 3.660 ( 0.000 -3.628 6.322) 7.289 4.546 ( 0.000 -21.220 -0.186) 21.221 4.976 ( 0.000 5.896 -4.934) 7.688 5.069 ( 0.000 2.284 -13.212) 13.408 5.450 ( 0.000 10.958 13.431) 17.335 5.947 ( 0.000 -14.208 7.843) 16.229 6.227 ( 0.000 -4.067 4.850) 6.329 6.325 ( 0.000 -5.049 8.238) 9.662 6.699 ( 0.000 7.885 2.685) 8.329 6.916 ( 0.000 1.306 -1.131) 1.727 7.193 ( 0.000 -0.406 -1.584) 1.635 7.294 ( 0.000 4.112 -6.616) 7.790 7.443 ( 0.000 -8.078 -2.873) 8.573 7.585 ( 0.000 -6.932 -0.168) 6.934 7.944 ( 0.000 9.122 2.440) 9.443 8.079 ( 0.000 4.268 -3.146) 5.302 8.299 ( 0.000 14.511 6.079) 15.733 8.845 ( 0.000 8.918 -0.743) 8.948 8.967 ( 0.000 6.098 -2.634) 6.643 9.135 ( 0.000 -12.124 -5.374) 13.262 9.474 ( 0.000 2.137 -4.104) 4.627 9.712 ( 0.000 -9.332 -6.715) 11.497 9.754 ( 0.000 -4.064 0.791) 4.141 9.986 ( 0.000 -9.434 0.146) 9.435 10.282 ( 0.000 5.081 -1.153) 5.210 10.430 ( 0.000 -0.694 -2.491) 2.586 11.171 ( 0.000 13.484 6.503) 14.970 11.797 ( 0.000 -13.988 -2.565) 14.221 15.830 ( 0.000 2.997 3.166) 4.360 15.954 ( 0.000 -2.748 2.359) 3.622 16.239 ( 0.000 2.102 -2.482) 3.252 16.320 ( 0.000 -1.706 -2.392) 2.938 17.739 ( 0.000 5.499 0.378) 5.512 17.778 ( 0.000 3.444 -0.261) 3.453 18.016 ( 0.000 -2.819 -0.313) 2.836 18.029 ( 0.000 -3.399 -0.256) 3.409 20.289 ( 0.000 15.980 0.928) 16.007 20.765 ( 0.000 6.785 -10.029) 12.109 20.879 ( 0.000 -10.662 0.327) 10.667 21.010 ( 0.000 -5.002 -2.029) 5.397 26.139 ( 0.000 2.242 -0.426) 2.282 26.188 ( 0.000 0.798 -1.101) 1.360 26.358 ( 0.000 -1.565 0.044) 1.566 26.379 ( 0.000 -1.568 -0.713) 1.723 33.527 ( 0.000 3.227 8.342) 8.945 33.713 ( 0.000 -6.236 17.717) 18.782 34.730 ( 0.000 17.180 1.026) 17.211 35.629 ( 0.000 -23.475 -6.856) 24.455 36.280 ( 0.000 2.128 3.023) 3.696 36.353 ( 0.000 -1.259 4.658) 4.826 36.676 ( 0.000 4.559 -2.985) 5.449 36.941 ( 0.000 -7.417 -4.900) 8.890 ======================= Grid point 133 (50/120) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 4.574 6.159 8.408) 11.382 1.486 ( -0.029 -3.582 2.821) 4.560 1.717 ( 6.059 19.523 4.817) 21.002 2.290 ( -0.829 0.134 11.579) 11.610 2.401 ( 0.050 -1.619 -3.841) 4.169 2.476 ( -0.829 -5.367 1.508) 5.636 2.523 ( 3.132 -4.162 4.501) 6.885 2.825 ( -1.896 -7.734 -4.808) 9.302 2.995 ( 1.965 6.319 1.701) 6.833 3.013 ( 3.890 4.573 4.846) 7.715 3.137 ( 0.299 -1.584 0.954) 1.874 3.348 ( 10.263 26.695 3.872) 28.861 3.393 ( 4.103 8.155 2.958) 9.596 3.492 ( 2.997 -10.132 -4.695) 11.562 3.693 ( 3.091 -2.392 5.613) 6.840 4.525 ( -2.030 -18.543 -0.402) 18.658 4.862 ( -8.826 6.597 -5.749) 12.429 5.036 ( -3.390 -0.217 -13.341) 13.767 5.472 ( 1.421 10.948 13.392) 17.356 5.962 ( 1.449 -13.404 7.343) 15.352 6.194 ( -2.779 -2.360 4.577) 5.852 6.320 ( -0.121 -6.154 6.146) 8.698 6.875 ( 14.453 8.687 1.873) 16.967 6.950 ( 1.760 4.278 -3.644) 5.888 7.220 ( -5.063 3.038 -4.826) 7.626 7.366 ( 12.437 -0.020 -0.065) 12.437 7.523 ( -1.774 -7.667 -2.589) 8.284 7.696 ( 15.565 -3.459 -0.609) 15.956 7.883 ( -2.155 4.956 4.177) 6.830 8.008 ( -6.623 1.436 -1.602) 6.964 8.201 ( -7.083 17.515 3.639) 19.241 8.901 ( -4.868 8.603 -3.765) 10.578 8.960 ( 9.219 7.398 0.143) 11.822 9.105 ( -4.449 -14.501 0.132) 15.169 9.452 ( -0.137 2.138 -9.372) 9.614 9.590 ( -8.065 -8.551 -7.455) 13.919 9.791 ( 1.220 -4.117 3.302) 5.417 10.006 ( 0.309 -8.838 3.147) 9.386 10.266 ( -0.011 4.718 -1.168) 4.861 10.432 ( -0.436 -1.869 -5.447) 5.775 11.163 ( -0.722 12.015 7.182) 14.016 11.755 ( -3.850 -13.650 -2.143) 14.344 15.862 ( 2.907 2.554 2.644) 4.687 15.974 ( 1.782 -2.603 1.885) 3.674 16.247 ( 0.660 2.045 -1.783) 2.793 16.326 ( 0.492 -1.608 -2.142) 2.724 17.617 ( -7.687 4.772 0.200) 9.051 17.755 ( -5.860 -0.067 -0.111) 5.862 17.957 ( -1.547 0.521 -0.444) 1.692 18.045 ( -1.616 -2.045 -0.291) 2.623 20.256 ( -2.673 15.695 0.433) 15.927 20.718 ( -4.150 9.256 -7.496) 12.613 20.838 ( -3.090 -10.629 -0.011) 11.069 21.023 ( 0.448 -5.652 -1.524) 5.871 26.154 ( 1.283 2.109 -0.440) 2.507 26.191 ( 0.221 1.042 -0.925) 1.411 26.354 ( -0.680 -1.385 -0.454) 1.609 26.376 ( 0.079 -1.956 -0.084) 1.959 33.573 ( 4.269 2.829 7.889) 9.405 33.726 ( 1.666 -4.586 15.008) 15.782 34.702 ( -2.343 17.047 0.134) 17.207 35.561 ( -6.505 -22.163 -7.056) 24.152 36.361 ( 7.601 3.294 2.057) 8.536 36.540 ( 15.008 -5.699 1.359) 16.111 36.788 ( 12.559 7.112 -1.991) 14.569 37.227 ( 23.549 -13.426 -2.017) 27.182 ======================= Grid point 134 (51/120) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.955 0.231 2.747) 2.918 1.474 ( -1.224 -3.843 2.396) 4.691 1.891 ( 10.210 14.904 2.826) 18.286 2.316 ( 4.144 3.896 12.286) 13.539 2.373 ( -2.069 4.724 -3.189) 6.064 2.493 ( 2.465 -10.742 2.365) 11.272 2.632 ( 7.298 -5.095 5.550) 10.489 2.766 ( -3.499 -8.930 -3.012) 10.053 3.020 ( 0.209 8.348 0.956) 8.405 3.117 ( 5.124 2.125 2.916) 6.267 3.193 ( 5.856 2.046 1.174) 6.313 3.487 ( 5.642 7.912 1.680) 9.862 3.514 ( 4.322 -5.695 -1.116) 7.236 3.679 ( 11.589 7.006 -1.587) 13.635 3.796 ( 8.092 5.280 4.630) 10.714 4.453 ( -5.049 -11.355 -1.106) 12.476 4.665 ( -9.254 6.311 -6.285) 12.844 4.937 ( -5.938 -5.429 -12.721) 15.052 5.487 ( -0.326 12.440 11.889) 17.211 5.989 ( -0.052 -11.438 8.318) 14.143 6.143 ( -0.961 0.447 0.894) 1.387 6.320 ( 0.092 -7.940 5.218) 9.501 6.899 ( -11.196 5.518 -9.840) 15.894 7.038 ( -0.132 10.938 -3.697) 11.547 7.248 ( 10.018 6.730 3.303) 12.512 7.390 ( -8.212 -6.365 1.020) 10.440 7.599 ( -0.843 3.823 -3.540) 5.278 7.709 ( -3.123 8.248 1.909) 9.024 7.840 ( -2.849 0.259 3.920) 4.853 8.070 ( -1.763 17.997 2.162) 18.212 8.284 ( 23.620 -11.089 1.168) 26.120 8.827 ( -1.173 12.033 -1.541) 12.188 8.958 ( -5.352 -13.441 1.244) 14.521 9.190 ( 10.627 -0.924 0.114) 10.668 9.425 ( -2.996 -4.130 -7.502) 9.072 9.526 ( 3.928 -2.040 -7.054) 8.328 9.799 ( -0.106 -4.033 4.253) 5.862 9.970 ( -3.345 -5.279 3.371) 7.101 10.302 ( 2.707 1.389 -1.637) 3.454 10.406 ( -1.847 -2.923 -7.203) 7.990 11.148 ( -0.437 8.691 7.602) 11.555 11.648 ( -6.124 -12.520 -1.207) 13.989 15.940 ( 4.207 1.634 1.557) 4.774 16.023 ( 2.779 -2.185 0.731) 3.610 16.261 ( 0.550 1.964 -0.533) 2.108 16.335 ( 0.283 -1.405 -1.653) 2.188 17.460 ( -6.904 3.570 0.353) 7.780 17.588 ( -8.517 -1.707 -0.352) 8.693 17.919 ( -2.989 1.883 -0.235) 3.541 17.972 ( -4.624 -0.476 -0.621) 4.690 20.202 ( -2.036 15.110 -0.014) 15.247 20.610 ( -5.798 12.736 -3.757) 14.489 20.777 ( -2.353 -11.026 -0.119) 11.275 21.011 ( -1.617 -6.659 -0.978) 6.922 26.183 ( 1.241 1.669 -0.575) 2.158 26.196 ( 0.325 1.422 -0.399) 1.513 26.336 ( -0.736 -0.939 -0.436) 1.270 26.384 ( 0.444 -2.551 0.020) 2.589 33.695 ( 6.916 2.182 7.379) 10.346 33.799 ( 5.520 -2.464 8.966) 10.814 34.642 ( -3.247 15.289 -0.423) 15.635 35.377 ( -10.497 -18.220 -7.535) 22.337 36.582 ( 12.884 6.287 0.842) 14.361 36.835 ( 12.611 0.085 -0.008) 12.612 37.219 ( 26.102 -0.670 -0.490) 26.115 37.773 ( 25.792 -21.206 -0.963) 33.404 ======================= Grid point 135 (52/120) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -3.753 -3.468 2.665) 5.763 1.418 ( -4.238 -5.016 3.521) 7.452 2.125 ( 11.268 10.337 0.061) 15.291 2.329 ( -0.218 3.629 0.550) 3.677 2.470 ( 6.791 1.286 6.649) 9.590 2.555 ( 3.015 -7.470 1.619) 8.216 2.699 ( -0.010 -4.935 -0.382) 4.950 2.836 ( 11.198 -4.497 5.435) 13.234 3.025 ( 1.042 7.256 1.092) 7.411 3.221 ( 4.615 -0.138 -0.211) 4.622 3.348 ( 7.903 6.151 0.611) 10.033 3.590 ( 2.687 -5.678 -1.946) 6.576 3.600 ( 4.610 7.537 2.078) 9.076 3.801 ( 1.721 -2.063 0.763) 2.793 4.033 ( 9.474 7.300 1.750) 12.087 4.334 ( -4.252 -4.408 -2.891) 6.773 4.488 ( -7.921 6.126 -6.539) 11.960 4.795 ( -7.290 -9.269 -10.401) 15.724 5.460 ( -1.682 14.080 8.149) 16.355 5.925 ( -5.522 -3.753 7.032) 9.697 6.186 ( 4.430 -0.868 0.525) 4.544 6.319 ( -0.795 -6.381 3.068) 7.125 6.590 ( -15.165 6.294 -8.216) 18.360 6.951 ( -9.323 -0.412 -8.602) 12.692 7.215 ( -6.638 14.840 5.417) 17.136 7.343 ( -3.290 11.296 5.764) 13.102 7.462 ( -7.216 4.236 0.000) 8.368 7.560 ( -6.799 3.920 -3.074) 8.429 7.890 ( 1.447 1.521 5.493) 5.881 8.111 ( 5.556 6.616 0.108) 8.640 8.678 ( 8.784 -16.899 0.911) 19.068 8.757 ( -0.323 -6.830 1.978) 7.118 9.083 ( 13.910 4.955 0.323) 14.769 9.336 ( 5.414 -5.329 -3.135) 8.218 9.524 ( 10.157 1.550 -2.226) 10.513 9.632 ( 5.703 0.461 -1.991) 6.058 9.799 ( 0.065 -5.411 0.970) 5.498 9.894 ( -3.108 -3.401 2.185) 5.099 10.350 ( 1.245 0.157 -1.927) 2.300 10.364 ( -1.669 -2.671 -5.530) 6.364 11.156 ( 1.333 4.680 6.270) 7.937 11.514 ( -6.390 -10.363 -0.247) 12.177 16.024 ( 3.687 0.980 0.407) 3.837 16.081 ( 2.542 -1.520 -0.556) 3.014 16.268 ( 0.191 1.684 0.161) 1.702 16.334 ( -0.464 -1.198 -1.286) 1.818 17.340 ( -4.410 2.239 0.626) 4.986 17.431 ( -6.321 -1.443 -0.180) 6.486 17.831 ( -4.625 2.056 -0.015) 5.062 17.878 ( -4.271 -0.577 -0.830) 4.389 20.181 ( 0.133 14.597 -0.042) 14.598 20.486 ( -5.885 14.321 -1.629) 15.569 20.748 ( -0.375 -11.131 -0.070) 11.137 20.959 ( -3.240 -7.889 -0.585) 8.549 26.196 ( 0.352 1.449 -0.469) 1.563 26.212 ( 0.865 1.382 -0.122) 1.635 26.328 ( -0.059 -0.779 -0.324) 0.846 26.388 ( -0.173 -2.538 -0.082) 2.545 33.845 ( 7.240 2.610 6.706) 10.208 33.951 ( 8.326 -1.630 2.930) 8.976 34.575 ( -2.885 11.579 0.231) 11.935 35.141 ( -11.800 -13.886 -6.589) 19.377 36.863 ( 13.088 9.265 0.323) 16.039 37.068 ( 9.284 6.183 0.338) 11.159 37.770 ( 24.963 -7.052 0.224) 25.941 38.228 ( 16.945 -22.576 -1.139) 28.251 ======================= Grid point 136 (53/120) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.531 -4.718 5.367) 7.971 1.325 ( -3.948 -5.923 5.705) 9.122 2.284 ( 3.687 3.264 -2.381) 5.469 2.390 ( 3.734 2.589 0.411) 4.562 2.501 ( -0.235 -2.360 3.632) 4.338 2.602 ( 1.017 -0.752 0.657) 1.425 2.837 ( 10.480 4.343 -0.385) 11.351 3.077 ( 9.343 -4.765 6.622) 12.403 3.097 ( 6.492 3.971 2.827) 8.119 3.291 ( 1.939 -4.337 -3.075) 5.659 3.475 ( 3.447 8.314 0.154) 9.002 3.616 ( 0.422 0.996 -0.414) 1.158 3.678 ( 1.852 1.192 2.090) 3.036 3.767 ( -4.499 -2.030 0.680) 4.982 4.061 ( -2.771 3.798 0.449) 4.723 4.297 ( -7.615 6.155 -3.476) 10.390 4.408 ( 5.977 -2.674 -7.360) 9.852 4.657 ( -5.641 -9.481 -8.644) 14.015 5.460 ( 2.711 14.746 4.024) 15.524 5.781 ( -8.375 6.019 3.674) 10.948 6.225 ( -4.169 -0.779 -0.248) 4.249 6.279 ( -2.459 -3.884 -0.111) 4.598 6.404 ( 1.615 3.127 -4.547) 5.750 6.735 ( -9.894 -5.012 -5.381) 12.328 7.086 ( -5.029 24.082 5.902) 25.300 7.179 ( -9.058 20.971 6.504) 23.751 7.354 ( -2.305 0.349 0.756) 2.450 7.457 ( -4.569 -4.016 -0.457) 6.101 7.961 ( 5.855 -0.259 2.680) 6.444 8.180 ( -0.650 -1.030 0.254) 1.244 8.699 ( 2.513 -16.293 1.659) 16.569 8.837 ( 0.368 -14.861 -0.169) 14.867 9.369 ( 11.411 5.367 0.750) 12.633 9.477 ( 6.105 1.169 -0.713) 6.257 9.662 ( 3.024 3.098 -1.993) 4.766 9.760 ( -0.598 -1.203 -1.656) 2.132 9.809 ( 6.798 -0.576 2.298) 7.199 9.886 ( 1.939 -8.055 0.988) 8.344 10.329 ( -0.902 0.085 -4.501) 4.591 10.362 ( -0.686 0.433 -1.202) 1.451 11.204 ( 3.189 0.532 4.019) 5.158 11.388 ( -5.516 -7.218 0.725) 9.113 16.089 ( 2.407 0.757 -0.568) 2.586 16.121 ( 1.110 -0.518 -1.333) 1.810 16.273 ( 0.440 0.805 -0.001) 0.918 16.316 ( -1.138 -0.933 -1.064) 1.816 17.278 ( -1.541 1.054 0.849) 2.051 17.326 ( -3.688 -0.880 0.317) 3.805 17.756 ( -2.211 1.489 -0.033) 2.666 17.795 ( -3.456 -0.565 -0.571) 3.549 20.207 ( 2.259 14.405 -0.041) 14.581 20.369 ( -5.196 14.632 -0.654) 15.541 20.762 ( 1.615 -10.785 -0.055) 10.905 20.884 ( -3.692 -9.089 -0.312) 9.816 26.206 ( 0.633 1.586 -0.256) 1.727 26.224 ( 0.186 1.462 -0.123) 1.479 26.333 ( 0.596 -1.216 -0.258) 1.378 26.375 ( -0.953 -2.263 -0.128) 2.459 33.992 ( 6.602 3.934 4.288) 8.801 34.100 ( 4.505 0.693 0.094) 4.559 34.551 ( 1.702 4.479 0.820) 4.861 34.894 ( -11.582 -9.624 -4.410) 15.691 37.098 ( 8.932 10.852 0.213) 14.057 37.208 ( 3.863 9.378 0.365) 10.150 38.216 ( 16.974 -11.248 0.353) 20.365 38.465 ( 5.567 -19.539 -0.780) 20.331 ======================= Grid point 137 (54/120) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.510 -5.670 6.803) 8.871 1.274 ( 0.510 -5.670 6.803) 8.871 2.357 ( -3.740 -1.890 -1.409) 4.421 2.357 ( 3.740 -1.890 -1.409) 4.421 2.572 ( -3.773 5.575 2.277) 7.106 2.572 ( 3.773 5.575 2.277) 7.106 3.050 ( -8.445 0.215 -2.335) 8.764 3.050 ( 8.445 0.215 -2.335) 8.764 3.283 ( -6.175 -1.233 7.091) 9.483 3.283 ( 6.175 -1.233 7.091) 9.483 3.565 ( -7.987 2.431 -2.999) 8.871 3.565 ( 7.987 2.431 -2.999) 8.871 3.679 ( -5.096 -2.247 1.933) 5.895 3.679 ( 5.096 -2.247 1.933) 5.895 4.117 ( -7.879 8.617 -2.391) 11.919 4.117 ( 7.879 8.617 -2.391) 11.919 4.544 ( -5.812 -7.892 -7.482) 12.331 4.544 ( 5.812 -7.892 -7.482) 12.331 5.587 ( -8.907 13.215 1.940) 16.054 5.587 ( 8.907 13.215 1.940) 16.054 6.199 ( -2.629 -1.956 -1.491) 3.600 6.199 ( 2.629 -1.956 -1.491) 3.600 6.543 ( -8.574 -1.840 -2.578) 9.140 6.543 ( 8.574 -1.840 -2.578) 9.140 7.051 ( -2.321 24.204 6.546) 25.180 7.051 ( 2.321 24.204 6.546) 25.180 7.369 ( -3.152 -3.967 0.762) 5.124 7.369 ( 3.152 -3.967 0.762) 5.124 8.097 ( -6.182 -2.668 1.004) 6.808 8.097 ( 6.182 -2.668 1.004) 6.808 8.785 ( -4.373 -15.656 0.649) 16.268 8.785 ( 4.373 -15.656 0.649) 16.268 9.519 ( -2.653 3.441 0.074) 4.346 9.519 ( 2.653 3.441 0.074) 4.346 9.713 ( -2.426 1.999 -0.527) 3.187 9.713 ( 2.426 1.999 -0.527) 3.187 9.911 ( -1.070 -5.729 0.577) 5.856 9.911 ( 1.070 -5.729 0.577) 5.856 10.334 ( -1.351 1.755 -2.385) 3.254 10.334 ( 1.351 1.755 -2.385) 3.254 11.284 ( -4.450 -3.476 2.065) 6.013 11.284 ( 4.450 -3.476 2.065) 6.013 16.123 ( -0.868 0.443 -1.203) 1.548 16.123 ( 0.868 0.443 -1.203) 1.548 16.291 ( -1.163 -0.337 -0.667) 1.382 16.291 ( 1.163 -0.337 -0.667) 1.382 17.275 ( -1.206 -0.018 0.755) 1.423 17.275 ( 1.206 -0.018 0.755) 1.423 17.745 ( -1.112 0.318 -0.222) 1.178 17.745 ( 1.112 0.318 -0.222) 1.178 20.273 ( -3.966 14.502 -0.210) 15.036 20.273 ( 3.966 14.502 -0.210) 15.036 20.812 ( -3.069 -10.080 -0.135) 10.538 20.812 ( 3.069 -10.080 -0.135) 10.538 26.219 ( -0.533 1.665 -0.166) 1.756 26.219 ( 0.533 1.665 -0.166) 1.756 26.352 ( -1.147 -1.858 -0.178) 2.190 26.352 ( 1.147 -1.858 -0.178) 2.190 34.104 ( -3.524 4.274 1.504) 5.740 34.104 ( 3.524 4.274 1.504) 5.740 34.671 ( -9.163 -4.421 -1.467) 10.279 34.671 ( 9.163 -4.421 -1.467) 10.279 37.221 ( -2.665 10.842 0.265) 11.168 37.221 ( 2.665 10.842 0.265) 11.168 38.459 ( -6.083 -15.324 -0.111) 16.487 38.459 ( 6.083 -15.324 -0.111) 16.487 ======================= Grid point 143 (55/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 -3.309 5.416) 6.347 1.423 ( 0.000 3.309 5.416) 6.347 2.071 ( 0.000 -18.434 3.418) 18.748 2.071 ( 0.000 18.434 3.418) 18.748 2.348 ( 0.000 -5.289 13.607) 14.599 2.348 ( 0.000 5.289 13.607) 14.599 2.667 ( 0.000 -9.323 -7.810) 12.162 2.667 ( 0.000 9.323 -7.810) 12.162 3.033 ( 0.000 -1.984 2.890) 3.506 3.033 ( 0.000 1.984 2.890) 3.506 3.217 ( 0.000 -10.249 -1.859) 10.416 3.217 ( 0.000 10.249 -1.859) 10.416 3.489 ( 0.000 -5.401 1.821) 5.700 3.489 ( 0.000 5.401 1.821) 5.700 4.001 ( 0.000 -30.032 4.434) 30.357 4.001 ( 0.000 30.032 4.434) 30.357 5.071 ( 0.000 -2.554 -10.010) 10.331 5.071 ( 0.000 2.554 -10.010) 10.331 5.678 ( 0.000 -11.465 11.180) 16.014 5.678 ( 0.000 11.465 11.180) 16.014 6.226 ( 0.000 -3.375 6.907) 7.687 6.226 ( 0.000 3.375 6.907) 7.687 6.858 ( 0.000 -6.332 1.149) 6.436 6.858 ( 0.000 6.332 1.149) 6.436 7.267 ( 0.000 -6.991 -2.713) 7.499 7.267 ( 0.000 6.991 -2.713) 7.499 7.425 ( 0.000 -7.355 -4.299) 8.519 7.425 ( 0.000 7.355 -4.299) 8.519 8.080 ( 0.000 -3.454 -0.307) 3.468 8.080 ( 0.000 3.454 -0.307) 3.468 8.696 ( 0.000 -19.998 3.231) 20.257 8.696 ( 0.000 19.998 3.231) 20.257 9.033 ( 0.000 -0.659 -1.080) 1.265 9.033 ( 0.000 0.659 -1.080) 1.265 9.554 ( 0.000 -5.030 -7.841) 9.316 9.554 ( 0.000 5.030 -7.841) 9.316 9.791 ( 0.000 -7.545 -0.229) 7.548 9.791 ( 0.000 7.545 -0.229) 7.548 10.378 ( 0.000 -3.829 -0.229) 3.836 10.378 ( 0.000 3.829 -0.229) 3.836 11.484 ( 0.000 -15.579 0.639) 15.592 11.484 ( 0.000 15.579 0.639) 15.592 15.893 ( 0.000 -3.042 2.795) 4.132 15.893 ( 0.000 3.042 2.795) 4.132 16.281 ( 0.000 -1.935 -2.477) 3.143 16.281 ( 0.000 1.935 -2.477) 3.143 17.815 ( 0.000 -0.938 -0.069) 0.941 17.815 ( 0.000 0.938 -0.069) 0.941 17.980 ( 0.000 -0.360 -0.050) 0.364 17.980 ( 0.000 0.360 -0.050) 0.364 20.612 ( 0.000 -14.442 0.655) 14.457 20.612 ( 0.000 14.442 0.655) 14.457 20.897 ( 0.000 -5.794 -4.759) 7.498 20.897 ( 0.000 5.794 -4.759) 7.498 26.180 ( 0.000 -1.471 -0.912) 1.731 26.180 ( 0.000 1.471 -0.912) 1.731 26.351 ( 0.000 -0.811 -0.228) 0.843 26.351 ( 0.000 0.811 -0.228) 0.843 33.605 ( 0.000 -4.284 12.470) 13.186 33.605 ( 0.000 4.284 12.470) 13.186 35.147 ( 0.000 -22.048 -4.939) 22.595 35.147 ( 0.000 22.048 -4.939) 22.595 36.322 ( 0.000 -1.750 3.652) 4.049 36.322 ( 0.000 1.750 3.652) 4.049 36.793 ( 0.000 -6.523 -3.794) 7.546 36.793 ( 0.000 6.523 -3.794) 7.546 ======================= Grid point 145 (56/120) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.886 -1.984 3.921) 4.483 1.437 ( 0.886 1.984 3.921) 4.483 2.106 ( 3.215 -17.388 2.998) 17.935 2.106 ( 3.215 17.388 2.998) 17.935 2.361 ( 1.662 -6.283 13.926) 15.368 2.361 ( 1.662 6.283 13.926) 15.368 2.642 ( -2.200 -9.077 -6.643) 11.461 2.642 ( -2.200 9.077 -6.643) 11.461 3.071 ( 3.489 -2.598 2.433) 4.984 3.071 ( 3.489 2.598 2.433) 4.984 3.226 ( 1.135 -11.495 -1.600) 11.661 3.226 ( 1.135 11.495 -1.600) 11.661 3.533 ( 3.997 -5.677 1.297) 7.063 3.533 ( 3.997 5.677 1.297) 7.063 4.044 ( 3.873 -26.732 3.355) 27.219 4.044 ( 3.873 26.732 3.355) 27.219 4.985 ( -7.259 -4.630 -10.064) 13.245 4.985 ( -7.259 4.630 -10.064) 13.245 5.703 ( 2.056 -11.434 10.658) 15.765 5.703 ( 2.056 11.434 10.658) 15.765 6.210 ( -1.323 -3.712 6.019) 7.194 6.210 ( -1.323 3.712 6.019) 7.194 6.982 ( 9.091 -3.155 -0.432) 9.632 6.982 ( 9.091 3.155 -0.432) 9.632 7.334 ( -2.478 -8.028 -5.784) 10.200 7.334 ( -2.478 8.028 -5.784) 10.200 7.508 ( 16.061 -10.372 0.590) 19.128 7.508 ( 16.061 10.372 0.590) 19.128 7.992 ( -7.683 -3.384 0.840) 8.437 7.992 ( -7.683 3.384 0.840) 8.437 8.644 ( -4.453 -22.399 2.868) 23.017 8.644 ( -4.453 22.399 2.868) 23.017 9.060 ( 1.772 -2.320 -0.322) 2.937 9.060 ( 1.772 2.320 -0.322) 2.937 9.479 ( -4.989 -1.720 -10.729) 11.956 9.479 ( -4.989 1.720 -10.729) 11.956 9.822 ( 1.724 -7.034 3.052) 7.859 9.822 ( 1.724 7.034 3.052) 7.859 10.363 ( -1.090 -4.290 -1.384) 4.637 10.363 ( -1.090 4.290 -1.384) 4.637 11.453 ( -2.809 -14.828 1.197) 15.140 11.453 ( -2.809 14.828 1.197) 15.140 15.917 ( 2.209 -2.737 2.274) 4.188 15.917 ( 2.209 2.737 2.274) 4.188 16.289 ( 0.603 -1.901 -2.039) 2.852 16.289 ( 0.603 1.901 -2.039) 2.852 17.709 ( -8.060 -3.739 -0.103) 8.886 17.709 ( -8.060 3.739 -0.103) 8.886 17.996 ( -0.140 -2.523 -0.094) 2.528 17.996 ( -0.140 2.523 -0.094) 2.528 20.574 ( -3.067 -14.233 0.214) 14.561 20.574 ( -3.067 14.233 0.214) 14.561 20.889 ( -1.091 -7.148 -3.678) 8.112 20.889 ( -1.091 7.148 -3.678) 8.112 26.191 ( 0.839 -1.142 -0.873) 1.664 26.191 ( 0.839 1.142 -0.873) 1.664 26.346 ( -0.434 -0.728 -0.142) 0.860 26.346 ( -0.434 0.728 -0.142) 0.860 33.640 ( 3.400 -3.616 11.228) 12.276 33.640 ( 3.400 3.616 11.228) 12.276 35.105 ( -3.905 -20.990 -4.996) 21.926 35.105 ( -3.905 20.990 -4.996) 21.926 36.438 ( 10.690 -4.171 1.873) 11.627 36.438 ( 10.690 4.171 1.873) 11.627 36.976 ( 16.227 -10.605 -2.033) 19.492 36.976 ( 16.227 10.605 -2.033) 19.492 ======================= Grid point 147 (57/120) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -1.875 -0.724 2.315) 3.066 1.432 ( -1.875 0.724 2.315) 3.066 2.198 ( 5.523 -14.298 1.755) 15.427 2.198 ( 5.523 14.298 1.755) 15.427 2.425 ( 3.569 -4.621 11.149) 12.585 2.425 ( 3.569 4.621 11.149) 12.585 2.601 ( -0.123 -5.445 -2.099) 5.837 2.601 ( -0.123 5.445 -2.099) 5.837 3.148 ( 2.728 -0.973 0.446) 2.931 3.148 ( 2.728 0.973 0.446) 2.931 3.292 ( 6.042 -10.398 -0.242) 12.029 3.292 ( 6.042 10.398 -0.242) 12.029 3.639 ( 5.505 -5.825 0.609) 8.038 3.639 ( 5.505 5.825 0.609) 8.038 4.140 ( 4.537 -17.945 1.033) 18.539 4.140 ( 4.537 17.945 1.033) 18.539 4.806 ( -9.265 -6.829 -9.486) 14.915 4.806 ( -9.265 6.829 -9.486) 14.915 5.743 ( 1.196 -11.964 9.544) 15.351 5.743 ( 1.196 11.964 9.544) 15.351 6.189 ( -0.067 -4.295 4.246) 6.040 6.189 ( -0.067 4.295 4.246) 6.040 7.045 ( -7.904 -6.803 -9.975) 14.431 7.045 ( -7.904 6.803 -9.975) 14.431 7.307 ( 4.839 -2.758 3.662) 6.666 7.307 ( 4.839 2.758 3.662) 6.666 7.770 ( -8.000 -5.021 0.431) 9.455 7.770 ( -8.000 5.021 0.431) 9.455 7.965 ( 17.337 -16.025 2.637) 23.755 7.965 ( 17.337 16.025 2.637) 23.756 8.533 ( -5.616 -23.215 2.701) 24.037 8.533 ( -5.616 23.215 2.701) 24.037 9.087 ( 2.134 -10.094 -2.018) 10.513 9.087 ( 2.134 10.094 -2.018) 10.513 9.441 ( 2.483 -4.520 -8.064) 9.572 9.441 ( 2.483 4.520 -8.064) 9.572 9.837 ( -0.379 -5.955 4.212) 7.304 9.837 ( -0.379 5.955 4.212) 7.304 10.345 ( -0.469 -2.685 -2.882) 3.967 10.345 ( -0.469 2.685 -2.882) 3.967 11.379 ( -3.914 -12.644 2.166) 13.412 11.379 ( -3.914 12.644 2.166) 13.412 15.979 ( 3.401 -2.053 1.105) 4.124 15.979 ( 3.401 2.053 1.105) 4.124 16.301 ( 0.442 -1.816 -1.207) 2.225 16.301 ( 0.442 1.816 -1.207) 2.225 17.533 ( -8.021 -3.274 -0.079) 8.664 17.533 ( -8.021 3.274 -0.079) 8.664 17.954 ( -3.614 -1.289 -0.178) 3.841 17.954 ( -3.614 1.289 -0.178) 3.841 20.511 ( -2.455 -14.040 -0.102) 14.253 20.511 ( -2.455 14.040 -0.102) 14.253 20.843 ( -3.275 -9.475 -2.088) 10.240 20.843 ( -3.275 9.475 -2.088) 10.240 26.208 ( 0.684 -0.444 -0.676) 1.059 26.208 ( 0.684 0.444 -0.676) 1.059 26.339 ( -0.094 -1.372 -0.079) 1.377 26.339 ( -0.094 1.372 -0.079) 1.377 33.745 ( 6.502 -2.587 8.340) 10.887 33.745 ( 6.502 2.587 8.340) 10.887 34.994 ( -6.464 -17.986 -4.683) 19.678 34.994 ( -6.464 17.986 -4.683) 19.678 36.729 ( 15.878 -7.424 0.325) 17.531 36.729 ( 15.878 7.424 0.325) 17.531 37.396 ( 22.142 -14.652 -0.469) 26.555 37.396 ( 22.142 14.652 -0.469) 26.555 ======================= Grid point 149 (58/120) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -4.867 -0.614 3.674) 6.129 1.357 ( -4.867 0.614 3.674) 6.129 2.326 ( 5.601 -8.347 -0.731) 10.079 2.326 ( 5.601 8.347 -0.731) 10.079 2.446 ( 0.245 -4.162 2.761) 5.000 2.446 ( 0.245 4.162 2.761) 5.000 2.722 ( 10.758 -5.184 6.828) 13.756 2.722 ( 10.758 5.184 6.828) 13.756 3.178 ( 0.464 -5.266 -1.020) 5.384 3.178 ( 0.464 5.266 -1.020) 5.384 3.456 ( 8.307 -5.453 0.246) 9.940 3.456 ( 8.307 5.453 0.246) 9.940 3.733 ( 2.695 -4.814 0.665) 5.557 3.733 ( 2.695 4.814 0.665) 5.557 4.203 ( 1.147 -7.900 -1.075) 8.055 4.203 ( 1.147 7.900 -1.075) 8.055 4.622 ( -7.809 -7.062 -8.600) 13.594 4.622 ( -7.809 7.062 -8.600) 13.594 5.739 ( -1.202 -12.080 7.610) 14.328 5.739 ( -1.202 12.080 7.610) 14.328 6.219 ( 2.340 -3.206 2.646) 4.770 6.219 ( 2.340 3.206 2.646) 4.770 6.780 ( -14.154 -10.670 -9.395) 20.061 6.780 ( -14.154 10.670 -9.395) 20.061 7.400 ( 1.230 -3.606 3.078) 4.898 7.400 ( 1.230 3.606 3.078) 4.898 7.578 ( -8.659 -4.297 3.534) 10.292 7.578 ( -8.659 4.297 3.534) 10.292 8.170 ( 0.917 -21.516 1.475) 21.586 8.170 ( 0.917 21.516 1.475) 21.586 8.467 ( 0.412 -16.292 0.236) 16.299 8.467 ( 0.412 16.292 0.236) 16.298 9.245 ( 12.564 -6.855 -0.452) 14.319 9.245 ( 12.564 6.855 -0.452) 14.319 9.555 ( 7.183 -3.018 -4.542) 9.019 9.555 ( 7.183 3.018 -4.542) 9.019 9.814 ( -1.439 -4.070 2.775) 5.132 9.814 ( -1.439 4.070 2.775) 5.132 10.343 ( 0.210 -0.269 -2.869) 2.889 10.343 ( 0.210 0.269 -2.869) 2.889 11.304 ( -2.984 -9.127 2.578) 9.943 11.304 ( -2.984 9.127 2.578) 9.943 16.050 ( 3.213 -1.413 -0.157) 3.514 16.050 ( 3.213 1.413 -0.157) 3.514 16.304 ( -0.212 -1.621 -0.643) 1.757 16.304 ( -0.212 1.621 -0.643) 1.757 17.390 ( -5.556 -2.313 0.182) 6.021 17.390 ( -5.556 2.313 0.182) 6.021 17.863 ( -4.578 -1.023 -0.203) 4.695 17.863 ( -4.578 1.023 -0.203) 4.695 20.482 ( -0.255 -13.738 -0.097) 13.740 20.482 ( -0.255 13.738 -0.098) 13.740 20.758 ( -4.582 -11.227 -1.044) 12.171 20.758 ( -4.582 11.227 -1.044) 12.171 26.220 ( 0.559 -0.649 -0.370) 0.933 26.220 ( 0.559 0.649 -0.370) 0.933 26.339 ( -0.067 -1.797 -0.150) 1.804 26.339 ( -0.067 1.797 -0.150) 1.804 33.902 ( 8.211 -2.730 5.040) 10.014 33.902 ( 8.211 2.730 5.040) 10.014 34.846 ( -7.449 -13.946 -3.449) 16.182 34.846 ( -7.449 13.946 -3.449) 16.182 37.050 ( 13.887 -7.214 0.106) 15.649 37.050 ( 13.887 7.214 0.106) 15.649 37.838 ( 19.060 -13.216 -0.164) 23.194 37.838 ( 19.060 13.216 -0.164) 23.194 ======================= Grid point 151 (59/120) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -4.159 -0.277 6.216) 7.485 1.256 ( -4.159 0.277 6.216) 7.485 2.350 ( -1.265 -3.573 -1.023) 3.926 2.350 ( -1.265 3.573 -1.023) 3.926 2.554 ( 7.689 -3.756 1.427) 8.676 2.554 ( 7.689 3.756 1.427) 8.676 2.961 ( 9.572 -6.269 4.700) 12.370 2.961 ( 9.572 6.269 4.700) 12.370 3.187 ( 1.566 -4.847 1.494) 5.309 3.187 ( 1.566 4.847 1.494) 5.309 3.588 ( 3.475 -3.104 -1.106) 4.788 3.588 ( 3.475 3.104 -1.106) 4.788 3.722 ( -3.889 -2.373 0.274) 4.564 3.722 ( -3.889 2.373 0.274) 4.564 4.219 ( 1.882 -9.499 -1.360) 9.779 4.219 ( 1.882 9.499 -1.360) 9.779 4.485 ( -5.697 -7.217 -8.549) 12.555 4.485 ( -5.697 7.217 -8.549) 12.555 5.729 ( 0.846 -9.686 5.189) 11.021 5.729 ( 0.846 9.686 5.189) 11.021 6.225 ( -3.319 -1.259 -0.829) 3.645 6.225 ( -3.319 1.259 -0.829) 3.645 6.556 ( -5.282 -9.849 -5.255) 12.350 6.556 ( -5.282 9.849 -5.255) 12.350 7.356 ( -3.563 -4.118 1.769) 5.725 7.356 ( -3.563 4.118 1.769) 5.725 7.418 ( -6.490 -1.619 5.809) 8.860 7.418 ( -6.490 1.619 5.809) 8.860 8.152 ( -0.590 -14.284 0.876) 14.323 8.152 ( -0.590 14.284 0.876) 14.323 8.498 ( 1.524 -11.142 -0.437) 11.254 8.498 ( 1.524 11.142 -0.437) 11.254 9.494 ( 8.992 -3.653 0.830) 9.741 9.494 ( 8.992 3.653 0.830) 9.741 9.697 ( 4.948 -1.718 -3.207) 6.142 9.697 ( 4.948 1.718 -3.207) 6.142 9.796 ( 0.442 -1.356 1.856) 2.340 9.796 ( 0.442 1.356 1.856) 2.340 10.351 ( 0.404 -1.366 -2.344) 2.743 10.351 ( 0.404 1.366 -2.344) 2.743 11.259 ( -1.351 -4.714 2.431) 5.473 11.259 ( -1.351 4.714 2.431) 5.473 16.106 ( 2.026 -0.856 -1.148) 2.481 16.106 ( 2.026 0.856 -1.148) 2.481 16.294 ( -0.572 -1.105 -0.459) 1.326 16.294 ( -0.572 1.105 -0.459) 1.326 17.303 ( -2.717 -1.251 0.554) 3.042 17.303 ( -2.717 1.251 0.554) 3.042 17.781 ( -2.976 -0.898 -0.132) 3.111 17.781 ( -2.976 0.898 -0.132) 3.111 20.500 ( 1.838 -12.893 -0.101) 13.024 20.500 ( 1.838 12.893 -0.101) 13.024 20.661 ( -4.491 -11.823 -0.449) 12.655 20.661 ( -4.491 11.823 -0.449) 12.655 26.233 ( 0.642 -0.711 -0.153) 0.970 26.233 ( 0.642 0.711 -0.153) 0.970 26.334 ( -0.392 -1.371 -0.216) 1.442 26.334 ( -0.392 1.371 -0.216) 1.442 34.069 ( 7.113 -3.110 1.898) 7.992 34.069 ( 7.113 3.110 1.898) 7.992 34.696 ( -6.375 -8.836 -1.428) 10.989 34.696 ( -6.375 8.836 -1.428) 10.989 37.280 ( 7.655 -4.113 0.124) 8.691 37.280 ( 7.655 4.113 0.124) 8.691 38.156 ( 10.761 -7.417 -0.076) 13.069 38.156 ( 10.761 7.417 -0.076) 13.069 ======================= Grid point 153 (60/120) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 0.000 7.436) 7.436 1.208 ( 0.000 0.000 7.436) 7.436 2.334 ( 0.000 0.000 -0.485) 0.485 2.334 ( 0.000 0.000 -0.485) 0.485 2.654 ( 0.000 0.000 0.880) 0.880 2.654 ( 0.000 0.000 0.880) 0.880 3.041 ( 0.000 -0.000 -1.293) 1.293 3.041 ( 0.000 0.000 -1.293) 1.293 3.250 ( 0.000 0.000 9.319) 9.319 3.250 ( 0.000 0.000 9.319) 9.319 3.627 ( 0.000 -0.000 -3.607) 3.607 3.627 ( 0.000 0.000 -3.607) 3.607 3.630 ( -0.000 0.000 -0.468) 0.468 3.630 ( -0.000 0.000 -0.468) 0.468 4.272 ( -0.000 0.000 0.818) 0.818 4.272 ( 0.000 0.000 0.818) 0.818 4.398 ( 0.000 -0.000 -10.393) 10.393 4.398 ( 0.000 0.000 -10.393) 10.393 5.753 ( 0.000 0.000 4.277) 4.277 5.753 ( 0.000 0.000 4.277) 4.277 6.153 ( 0.000 0.000 -3.895) 3.895 6.153 ( 0.000 0.000 -3.895) 3.895 6.524 ( 0.000 0.000 -2.071) 2.071 6.524 ( 0.000 0.000 -2.071) 2.071 7.316 ( 0.000 0.000 0.423) 0.423 7.316 ( 0.000 0.000 0.423) 0.423 7.338 ( 0.000 0.000 7.703) 7.703 7.338 ( 0.000 0.000 7.703) 7.703 8.149 ( 0.000 -0.000 0.293) 0.293 8.149 ( 0.000 -0.000 0.293) 0.293 8.515 ( 0.000 0.000 -0.074) 0.074 8.515 ( 0.000 0.000 -0.074) 0.074 9.588 ( 0.000 -0.000 0.725) 0.725 9.588 ( 0.000 0.000 0.725) 0.725 9.732 ( 0.000 0.000 -1.127) 1.127 9.732 ( 0.000 0.000 -1.127) 1.127 9.824 ( 0.000 0.000 0.210) 0.210 9.824 ( 0.000 0.000 0.210) 0.210 10.356 ( 0.000 0.000 -2.097) 2.097 10.356 ( 0.000 0.000 -2.097) 2.097 11.246 ( 0.000 0.000 2.291) 2.291 11.246 ( 0.000 0.000 2.291) 2.291 16.128 ( 0.000 0.000 -1.541) 1.541 16.128 ( 0.000 0.000 -1.541) 1.541 16.287 ( 0.000 0.000 -0.431) 0.431 16.287 ( 0.000 0.000 -0.431) 0.431 17.275 ( 0.000 0.000 0.727) 0.727 17.275 ( 0.000 0.000 0.727) 0.727 17.748 ( 0.000 0.000 -0.075) 0.075 17.748 ( 0.000 0.000 -0.075) 0.075 20.539 ( -0.000 -0.000 -0.266) 0.266 20.539 ( 0.000 0.000 -0.266) 0.266 20.594 ( 0.000 -0.000 -0.100) 0.100 20.594 ( 0.000 0.000 -0.100) 0.100 26.241 ( 0.000 -0.000 -0.072) 0.072 26.241 ( 0.000 0.000 -0.072) 0.072 26.328 ( 0.000 0.000 -0.245) 0.245 26.328 ( 0.000 0.000 -0.245) 0.245 34.156 ( 0.000 0.000 0.049) 0.049 34.156 ( 0.000 0.000 0.049) 0.049 34.618 ( 0.000 0.000 0.081) 0.081 34.618 ( 0.000 0.000 0.081) 0.081 37.361 ( 0.000 0.000 0.118) 0.118 37.361 ( 0.000 0.000 0.118) 0.118 38.271 ( 0.000 0.000 -0.024) 0.024 38.271 ( 0.000 0.000 -0.024) 0.024 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.000 21.266) 21.266 0.953 ( 0.000 0.000 25.046) 25.046 1.568 ( 0.000 0.000 -21.806) 21.806 1.795 ( 0.000 0.000 -20.008) 20.008 1.848 ( 0.000 0.000 29.522) 29.522 2.073 ( 0.000 0.000 4.684) 4.684 2.849 ( 0.000 0.000 9.543) 9.543 2.862 ( 0.000 0.000 7.569) 7.569 2.976 ( 0.000 0.000 19.700) 19.700 3.063 ( 0.000 0.000 -2.268) 2.268 3.126 ( 0.000 0.000 -5.573) 5.573 3.230 ( 0.000 0.000 7.725) 7.725 3.511 ( 0.000 0.000 -5.806) 5.806 3.526 ( 0.000 0.000 2.013) 2.013 4.046 ( 0.000 0.000 -2.732) 2.732 4.581 ( 0.000 0.000 5.389) 5.389 4.622 ( 0.000 0.000 -33.192) 33.192 4.763 ( 0.000 0.000 -2.558) 2.558 5.382 ( 0.000 0.000 22.330) 22.330 6.167 ( 0.000 0.000 -15.749) 15.749 6.374 ( 0.000 0.000 5.538) 5.538 6.589 ( 0.000 0.000 -5.221) 5.221 6.986 ( 0.000 0.000 -1.743) 1.743 6.994 ( 0.000 0.000 -2.586) 2.586 7.163 ( 0.000 0.000 4.179) 4.179 7.339 ( 0.000 0.000 -4.882) 4.882 7.517 ( 0.000 0.000 8.286) 8.286 7.654 ( 0.000 0.000 3.136) 3.136 7.910 ( 0.000 0.000 4.161) 4.161 8.037 ( 0.000 0.000 7.225) 7.225 8.144 ( 0.000 0.000 -6.197) 6.197 8.368 ( 0.000 0.000 -8.043) 8.043 8.693 ( 0.000 0.000 10.240) 10.240 9.108 ( 0.000 0.000 -9.174) 9.174 9.249 ( 0.000 0.000 4.886) 4.886 9.664 ( 0.000 0.000 -13.526) 13.526 9.892 ( 0.000 0.000 5.329) 5.329 10.110 ( 0.000 0.000 2.740) 2.740 10.140 ( 0.000 0.000 -8.086) 8.086 10.218 ( 0.000 0.000 -2.410) 2.410 11.352 ( 0.000 0.000 22.662) 22.662 12.098 ( 0.000 0.000 -15.771) 15.771 15.792 ( 0.000 0.000 5.611) 5.611 16.029 ( 0.000 0.000 -6.127) 6.127 16.153 ( 0.000 0.000 4.873) 4.873 16.345 ( 0.000 0.000 -4.637) 4.637 17.447 ( 0.000 0.000 0.887) 0.887 17.469 ( 0.000 0.000 -0.224) 0.224 18.151 ( 0.000 0.000 0.677) 0.677 18.175 ( 0.000 0.000 -0.490) 0.490 19.650 ( 0.000 0.000 0.208) 0.208 19.655 ( 0.000 0.000 -0.046) 0.046 21.185 ( 0.000 0.000 0.047) 0.047 21.189 ( 0.000 0.000 -0.165) 0.165 26.060 ( 0.000 0.000 1.051) 1.051 26.100 ( 0.000 0.000 -0.931) 0.931 26.459 ( 0.000 0.000 0.311) 0.311 26.470 ( 0.000 0.000 -0.275) 0.275 33.495 ( 0.000 0.000 5.366) 5.366 33.707 ( 0.000 0.000 -5.106) 5.106 36.258 ( 0.000 0.000 4.644) 4.644 36.451 ( 0.000 0.000 -5.013) 5.013 36.479 ( 0.000 0.000 7.624) 7.624 36.678 ( 0.000 0.000 1.048) 1.048 36.711 ( 0.000 0.000 -0.708) 0.708 36.787 ( 0.000 0.000 -7.532) 7.532 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 14.801 0.000 16.872) 22.444 1.194 ( 15.788 0.000 18.077) 24.001 1.652 ( 7.687 0.000 -20.005) 21.431 1.819 ( 0.457 0.000 -12.427) 12.435 2.008 ( 14.578 0.000 16.891) 22.311 2.161 ( 8.408 0.000 0.171) 8.410 2.843 ( 1.246 0.000 13.000) 13.060 2.900 ( 3.518 0.000 5.825) 6.805 2.993 ( 2.732 0.000 21.546) 21.719 3.099 ( 1.356 0.000 -1.120) 1.759 3.129 ( 0.537 0.000 -5.262) 5.289 3.257 ( 2.611 0.000 6.156) 6.686 3.465 ( -3.021 0.000 -3.152) 4.366 3.557 ( 1.489 0.000 0.694) 1.643 4.027 ( -1.609 0.000 -2.303) 2.810 4.526 ( -4.817 0.000 2.826) 5.585 4.663 ( 3.373 0.000 -29.386) 29.579 4.729 ( -3.998 0.000 -3.411) 5.255 5.324 ( -4.497 0.000 20.792) 21.272 6.060 ( -9.135 0.000 -15.932) 18.365 6.320 ( -5.993 0.000 5.718) 8.283 6.518 ( -7.892 0.000 -4.091) 8.889 7.013 ( 3.274 0.000 -1.868) 3.770 7.030 ( 5.096 0.000 -3.205) 6.021 7.088 ( -6.873 0.000 3.796) 7.851 7.224 ( -11.263 0.000 0.965) 11.304 7.383 ( -13.923 0.000 12.466) 18.688 7.730 ( 3.913 0.000 1.494) 4.189 7.778 ( 5.068 0.000 6.320) 8.101 7.971 ( -7.821 0.000 -7.169) 10.609 8.158 ( 7.450 0.000 7.571) 10.622 8.495 ( 3.202 0.000 -9.655) 10.172 8.797 ( 12.097 0.000 16.611) 20.549 9.295 ( 3.974 0.000 3.232) 5.122 9.461 ( 17.304 0.000 -19.311) 25.930 9.646 ( -1.567 0.000 -12.451) 12.549 9.831 ( -1.538 0.000 2.280) 2.751 9.982 ( -5.701 0.000 -3.451) 6.664 10.267 ( 5.865 0.000 -2.311) 6.304 10.291 ( 4.916 0.000 -2.354) 5.450 11.353 ( 0.120 0.000 21.704) 21.704 12.061 ( -3.479 0.000 -14.461) 14.873 15.849 ( 4.935 0.000 5.551) 7.428 16.077 ( 3.344 0.000 -5.519) 6.453 16.167 ( 1.321 0.000 4.501) 4.691 16.345 ( -0.143 0.000 -4.009) 4.011 17.445 ( -0.552 0.000 0.502) 0.746 17.458 ( -1.089 0.000 -0.043) 1.090 18.040 ( -7.891 0.000 -0.128) 7.892 18.068 ( -9.108 0.000 -0.944) 9.157 19.658 ( 0.532 0.000 0.355) 0.640 19.679 ( 1.389 0.000 -1.045) 1.739 21.178 ( -0.610 0.000 0.085) 0.616 21.184 ( -0.476 0.000 -0.204) 0.518 26.076 ( 1.331 0.000 0.790) 1.548 26.105 ( 0.404 0.000 -0.685) 0.795 26.457 ( -0.113 0.000 0.275) 0.297 26.468 ( -0.229 0.000 -0.250) 0.339 33.550 ( 5.139 0.000 4.677) 6.948 33.733 ( 2.370 0.000 -4.360) 4.963 35.320 ( -42.873 0.000 35.053) 55.379 36.204 ( -23.017 0.000 -15.742) 27.885 36.307 ( 4.395 0.000 4.375) 6.201 36.480 ( 2.697 0.000 -4.083) 4.893 37.349 ( 30.758 0.000 9.251) 32.119 38.017 ( 53.927 0.000 -32.338) 62.880 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 18.712 0.000 10.681) 21.545 1.452 ( 8.737 0.000 10.080) 13.340 1.791 ( -2.634 0.000 -5.256) 5.879 1.842 ( 9.266 0.000 -14.833) 17.489 2.316 ( 12.189 0.000 1.230) 12.251 2.358 ( 8.814 0.000 -0.385) 8.822 2.940 ( 4.270 0.000 7.053) 8.245 2.983 ( 3.418 0.000 0.601) 3.470 3.027 ( -1.089 0.000 4.699) 4.824 3.174 ( 4.487 0.000 -3.745) 5.844 3.232 ( 13.811 0.000 17.504) 22.297 3.342 ( 8.844 0.000 10.383) 13.639 3.385 ( -4.692 0.000 -2.059) 5.124 3.581 ( 0.798 0.000 2.975) 3.080 3.989 ( -1.795 0.000 -2.355) 2.961 4.383 ( -8.583 0.000 5.169) 10.019 4.582 ( -9.658 0.000 -3.864) 10.402 4.755 ( 4.998 0.000 -29.142) 29.568 5.221 ( -5.596 0.000 18.721) 19.540 5.829 ( -12.673 0.000 -13.272) 18.351 6.102 ( -13.930 0.000 3.426) 14.345 6.258 ( -15.785 0.000 -4.089) 16.306 6.893 ( -11.178 0.000 2.804) 11.524 6.952 ( -12.743 0.000 7.098) 14.587 7.086 ( -14.159 0.000 8.191) 16.358 7.131 ( 6.004 0.000 1.787) 6.264 7.218 ( 11.583 0.000 -3.869) 12.212 7.600 ( -11.097 0.000 -10.942) 15.584 8.049 ( 17.676 0.000 5.798) 18.602 8.072 ( 13.056 0.000 3.981) 13.649 8.330 ( 8.734 0.000 4.928) 10.029 8.524 ( 2.132 0.000 -4.120) 4.639 9.102 ( 14.081 0.000 14.364) 20.115 9.397 ( 5.558 0.000 0.976) 5.643 9.578 ( -0.031 0.000 -2.127) 2.127 9.601 ( -2.108 0.000 -8.236) 8.502 9.903 ( -1.718 0.000 -4.930) 5.221 9.924 ( 5.247 0.000 -14.043) 14.991 10.360 ( 2.874 0.000 -1.630) 3.304 10.374 ( 2.750 0.000 -2.183) 3.511 11.359 ( 0.498 0.000 18.673) 18.680 11.958 ( -6.260 0.000 -11.544) 13.133 15.965 ( 5.359 0.000 4.643) 7.091 16.128 ( 1.245 0.000 -2.795) 3.059 16.203 ( 1.908 0.000 3.452) 3.944 16.336 ( -0.724 0.000 -2.869) 2.958 17.413 ( -2.452 0.000 0.859) 2.598 17.423 ( -2.233 0.000 0.267) 2.249 17.858 ( -9.551 0.000 -0.816) 9.586 17.905 ( -4.622 0.000 -4.614) 6.531 19.665 ( 0.117 0.000 0.450) 0.465 19.693 ( -0.036 0.000 -1.175) 1.175 21.162 ( -0.902 0.000 0.160) 0.916 21.171 ( -0.774 0.000 -0.284) 0.824 26.106 ( 1.414 0.000 0.169) 1.424 26.114 ( 0.409 0.000 -0.282) 0.497 26.454 ( -0.225 0.000 0.179) 0.287 26.461 ( -0.409 0.000 -0.182) 0.448 33.698 ( 8.690 0.000 3.228) 9.270 33.801 ( 3.991 0.000 -2.217) 4.566 34.733 ( -16.594 0.000 31.807) 35.876 35.754 ( -20.132 0.000 -21.549) 29.490 36.432 ( 7.123 0.000 3.607) 7.984 36.561 ( 4.856 0.000 -2.493) 5.458 37.990 ( 29.590 0.000 14.786) 33.079 38.818 ( 25.280 0.000 -30.026) 39.251 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 2.098 0.000 4.622) 5.076 1.670 ( 8.436 0.000 1.840) 8.634 1.749 ( 5.330 0.000 2.253) 5.787 2.027 ( 8.803 0.000 -10.017) 13.336 2.516 ( 6.690 0.000 0.768) 6.734 2.550 ( 10.265 0.000 -0.406) 10.273 2.945 ( -0.406 0.000 2.364) 2.398 3.032 ( 1.866 0.000 -2.072) 2.788 3.045 ( 2.301 0.000 8.685) 8.984 3.260 ( -5.354 0.000 -2.303) 5.829 3.323 ( 7.316 0.000 -1.374) 7.444 3.333 ( 0.761 0.000 -0.300) 0.818 3.594 ( 0.465 0.000 5.278) 5.299 3.810 ( 23.034 0.000 7.274) 24.155 3.967 ( 2.425 0.000 5.353) 5.876 4.189 ( -9.474 0.000 5.161) 10.788 4.353 ( -11.727 0.000 -3.504) 12.239 4.842 ( 2.441 0.000 -24.326) 24.448 5.079 ( -7.633 0.000 15.122) 16.939 5.519 ( -16.944 0.000 -8.132) 18.794 5.794 ( -14.481 0.000 1.090) 14.522 5.916 ( -15.845 0.000 -5.135) 16.656 6.646 ( -11.807 0.000 2.371) 12.043 6.676 ( -13.981 0.000 0.919) 14.011 6.848 ( -7.154 0.000 12.085) 14.044 7.140 ( -6.298 0.000 -0.372) 6.309 7.444 ( 8.727 0.000 -2.693) 9.133 7.473 ( 0.198 0.000 -4.898) 4.902 8.389 ( 16.508 0.000 3.470) 16.868 8.399 ( 12.698 0.000 4.040) 13.325 8.555 ( 14.465 0.000 1.262) 14.520 8.624 ( 7.165 0.000 -2.201) 7.496 9.319 ( 6.211 0.000 10.494) 12.194 9.526 ( 6.366 0.000 1.756) 6.603 9.575 ( -0.375 0.000 -4.810) 4.824 9.625 ( 5.435 0.000 3.636) 6.539 9.910 ( 2.369 0.000 -5.648) 6.124 9.939 ( -3.810 0.000 -11.736) 12.339 10.384 ( -0.659 0.000 -1.329) 1.483 10.402 ( -0.100 0.000 -1.868) 1.871 11.377 ( 1.315 0.000 13.583) 13.647 11.809 ( -7.651 0.000 -8.107) 11.147 16.054 ( 3.042 0.000 2.815) 4.145 16.134 ( -0.434 0.000 -0.615) 0.752 16.238 ( 1.316 0.000 1.714) 2.160 16.316 ( -1.089 0.000 -2.509) 2.735 17.358 ( -2.485 0.000 1.084) 2.711 17.370 ( -2.596 0.000 0.433) 2.632 17.709 ( -4.441 0.000 0.423) 4.461 17.830 ( -3.097 0.000 -6.102) 6.843 19.663 ( -0.257 0.000 0.328) 0.417 19.683 ( -0.736 0.000 -0.768) 1.064 21.143 ( -0.782 0.000 0.188) 0.804 21.153 ( -0.830 0.000 -0.307) 0.884 26.122 ( 0.359 0.000 -0.125) 0.380 26.130 ( 0.746 0.000 -0.383) 0.838 26.448 ( -0.283 0.000 0.069) 0.292 26.452 ( -0.447 0.000 -0.103) 0.459 33.890 ( 8.818 0.000 3.059) 9.333 33.891 ( 4.460 0.000 1.040) 4.580 34.528 ( -4.212 0.000 19.738) 20.182 35.361 ( -17.509 0.000 -20.387) 26.874 36.586 ( 7.206 0.000 2.651) 7.678 36.669 ( 5.046 0.000 -1.163) 5.178 38.553 ( 23.785 0.000 12.702) 26.964 39.173 ( 10.262 0.000 -18.792) 21.412 ======================= Grid point 202 (65/120) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.363 0.000 2.758) 2.782 1.629 ( -3.414 0.000 0.108) 3.416 2.039 ( 13.326 0.000 2.516) 13.562 2.200 ( 6.718 0.000 -6.536) 9.373 2.636 ( 3.940 0.000 -1.200) 4.119 2.656 ( -0.060 0.000 -0.972) 0.974 3.056 ( 9.626 0.000 1.013) 9.679 3.075 ( 1.624 0.000 0.435) 1.681 3.083 ( 1.123 0.000 5.113) 5.235 3.141 ( -3.460 0.000 0.356) 3.478 3.332 ( 0.482 0.000 4.065) 4.093 3.492 ( 5.437 0.000 -2.016) 5.799 3.610 ( 2.937 0.000 4.835) 5.657 3.877 ( -3.277 0.000 -5.720) 6.593 4.003 ( -7.851 0.000 3.218) 8.485 4.097 ( -11.650 0.000 -1.392) 11.733 4.361 ( 19.956 0.000 5.872) 20.802 4.832 ( -3.601 0.000 -14.934) 15.363 4.948 ( -3.606 0.000 7.774) 8.569 5.170 ( -14.640 0.000 -4.141) 15.214 5.536 ( -9.185 0.000 -0.137) 9.186 5.621 ( -11.872 0.000 -4.635) 12.745 6.422 ( -8.933 0.000 2.995) 9.422 6.429 ( -8.179 0.000 3.218) 8.789 6.781 ( 0.226 0.000 7.029) 7.032 6.973 ( -7.820 0.000 -2.215) 8.128 7.517 ( 2.586 0.000 0.569) 2.648 7.559 ( 2.384 0.000 -1.560) 2.849 8.605 ( 8.486 0.000 3.031) 9.011 8.697 ( 9.183 0.000 -1.833) 9.364 8.803 ( 10.736 0.000 1.987) 10.918 8.850 ( 11.028 0.000 -0.161) 11.029 9.392 ( 2.396 0.000 5.518) 6.016 9.579 ( 0.207 0.000 -2.228) 2.237 9.622 ( 2.384 0.000 2.732) 3.626 9.762 ( -3.372 0.000 -3.316) 4.729 9.823 ( 3.752 0.000 1.489) 4.036 9.989 ( 4.087 0.000 -3.452) 5.350 10.339 ( -3.108 0.000 -1.480) 3.442 10.371 ( -2.713 0.000 -2.169) 3.473 11.422 ( 3.178 0.000 7.208) 7.877 11.650 ( -7.325 0.000 -4.128) 8.408 16.095 ( 1.077 0.000 1.260) 1.658 16.120 ( -0.692 0.000 0.192) 0.718 16.258 ( 0.725 0.000 -0.269) 0.773 16.293 ( -1.050 0.000 -2.367) 2.589 17.318 ( -1.257 0.000 1.131) 1.691 17.325 ( -1.567 0.000 0.730) 1.729 17.667 ( 0.139 0.000 0.576) 0.593 17.764 ( -3.265 0.000 -4.199) 5.319 19.658 ( -0.170 0.000 0.110) 0.203 19.668 ( -0.655 0.000 -0.411) 0.773 21.131 ( -0.355 0.000 0.110) 0.372 21.138 ( -0.614 0.000 -0.221) 0.652 26.129 ( 0.334 0.000 -0.230) 0.405 26.138 ( 0.094 0.000 -0.578) 0.585 26.443 ( -0.208 0.000 -0.008) 0.209 26.444 ( -0.288 0.000 -0.054) 0.293 33.979 ( 3.735 0.000 4.880) 6.146 34.026 ( 3.451 0.000 6.973) 7.780 34.543 ( 5.625 0.000 3.760) 6.766 35.022 ( -14.972 0.000 -15.653) 21.660 36.715 ( 4.787 0.000 1.696) 5.078 36.755 ( 2.840 0.000 -0.123) 2.842 38.969 ( 15.869 0.000 6.845) 17.283 39.284 ( 0.802 0.000 -8.829) 8.865 ======================= Grid point 203 (66/120) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.339 0.000 1.769) 2.218 1.577 ( 1.339 0.000 1.769) 2.218 2.238 ( -4.433 0.000 -1.965) 4.850 2.238 ( 4.433 0.000 -1.965) 4.850 2.655 ( -0.952 0.000 -2.144) 2.346 2.655 ( 0.952 0.000 -2.144) 2.346 3.076 ( -0.593 0.000 1.320) 1.447 3.076 ( 0.593 0.000 1.320) 1.447 3.160 ( -1.152 0.000 1.974) 2.286 3.160 ( 1.152 0.000 1.974) 2.286 3.437 ( -7.842 0.000 5.920) 9.826 3.437 ( 7.842 0.000 5.920) 9.826 3.771 ( -8.205 0.000 -3.712) 9.006 3.771 ( 8.205 0.000 -3.712) 9.006 3.917 ( -2.071 0.000 0.513) 2.134 3.917 ( 2.071 0.000 0.513) 2.134 4.686 ( -10.898 0.000 -4.986) 11.985 4.686 ( 10.898 0.000 -4.986) 11.985 4.959 ( -5.103 0.000 1.168) 5.235 4.959 ( 5.103 0.000 1.168) 5.235 5.459 ( -2.517 0.000 -2.712) 3.700 5.459 ( 2.517 0.000 -2.712) 3.700 6.333 ( -0.486 0.000 4.090) 4.118 6.333 ( 0.486 0.000 4.090) 4.118 6.838 ( -4.878 0.000 1.597) 5.132 6.838 ( 4.878 0.000 1.597) 5.132 7.562 ( -1.465 0.000 -0.262) 1.488 7.562 ( 1.465 0.000 -0.262) 1.488 8.741 ( -3.342 0.000 1.778) 3.785 8.741 ( 3.342 0.000 1.778) 3.785 8.965 ( -1.067 0.000 0.145) 1.077 8.965 ( 1.067 0.000 0.145) 1.077 9.498 ( -8.162 0.000 -2.053) 8.416 9.498 ( 8.162 0.000 -2.053) 8.416 9.644 ( -1.006 0.000 2.029) 2.265 9.644 ( 1.006 0.000 2.029) 2.265 9.992 ( -5.456 0.000 1.859) 5.764 9.992 ( 5.456 0.000 1.859) 5.764 10.312 ( -1.725 0.000 -2.793) 3.283 10.312 ( 1.725 0.000 -2.793) 3.283 11.513 ( -5.573 0.000 0.959) 5.655 11.513 ( 5.573 0.000 0.959) 5.655 16.109 ( -0.461 0.000 0.495) 0.677 16.109 ( 0.461 0.000 0.495) 0.677 16.274 ( -0.830 0.000 -1.684) 1.877 16.274 ( 0.830 0.000 -1.684) 1.877 17.306 ( -0.191 0.000 1.043) 1.060 17.306 ( 0.191 0.000 1.043) 1.060 17.700 ( -2.643 0.000 -1.333) 2.960 17.700 ( 2.643 0.000 -1.333) 2.960 19.658 ( -0.231 0.000 -0.133) 0.267 19.658 ( 0.231 0.000 -0.133) 0.267 21.129 ( -0.176 0.000 -0.053) 0.184 21.129 ( 0.176 0.000 -0.053) 0.184 26.136 ( -0.244 0.000 -0.455) 0.516 26.136 ( 0.244 0.000 -0.455) 0.516 26.441 ( -0.016 0.000 -0.037) 0.040 26.441 ( 0.016 0.000 -0.037) 0.040 34.038 ( -1.631 0.000 8.052) 8.215 34.038 ( 1.631 0.000 8.052) 8.215 34.737 ( -12.022 0.000 -8.532) 14.742 34.737 ( 12.022 0.000 -8.532) 14.742 36.776 ( -0.928 0.000 0.790) 1.219 36.776 ( 0.928 0.000 0.790) 1.219 39.214 ( -7.531 0.000 -0.466) 7.545 39.214 ( 7.531 0.000 -0.466) 7.545 ======================= Grid point 209 (67/120) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 12.195 21.232) 24.485 1.102 ( 0.000 21.449 14.513) 25.898 1.651 ( 0.000 3.373 -13.145) 13.570 1.832 ( 0.000 4.905 -10.398) 11.497 1.943 ( 0.000 10.333 12.370) 16.118 2.099 ( 0.000 6.276 0.105) 6.277 2.864 ( 0.000 -0.584 14.698) 14.710 2.902 ( 0.000 2.751 6.411) 6.976 2.961 ( 0.000 -1.045 14.920) 14.956 3.072 ( 0.000 -4.620 -2.586) 5.295 3.080 ( 0.000 1.822 -1.342) 2.263 3.214 ( 0.000 -1.639 8.123) 8.287 3.457 ( 0.000 -5.429 2.650) 6.041 3.540 ( 0.000 1.704 -5.616) 5.869 3.958 ( 0.000 -5.857 -0.987) 5.939 4.596 ( 0.000 -1.570 -31.014) 31.054 4.719 ( 0.000 8.646 2.511) 9.004 4.834 ( 0.000 4.873 -2.745) 5.593 5.421 ( 0.000 3.651 22.161) 22.460 6.165 ( 0.000 -0.349 -14.087) 14.091 6.401 ( 0.000 2.922 5.743) 6.443 6.643 ( 0.000 4.578 -5.739) 7.341 6.762 ( 0.000 -13.677 4.065) 14.268 6.998 ( 0.000 -1.912 -8.100) 8.323 7.221 ( 0.000 -8.969 4.573) 10.067 7.222 ( 0.000 0.137 -0.077) 0.157 7.602 ( 0.000 0.186 8.737) 8.739 7.626 ( 0.000 9.680 7.027) 11.962 7.869 ( 0.000 -3.378 1.855) 3.854 7.913 ( 0.000 -8.179 2.139) 8.454 8.357 ( 0.000 12.278 -0.105) 12.278 8.434 ( 0.000 0.880 1.705) 1.919 8.580 ( 0.000 -3.631 -1.733) 4.023 8.792 ( 0.000 -6.847 -12.120) 13.920 9.715 ( 0.000 18.380 -4.386) 18.897 9.799 ( 0.000 8.484 -8.116) 11.741 9.854 ( 0.000 -1.479 5.775) 5.961 10.067 ( 0.000 -4.404 1.837) 4.772 10.100 ( 0.000 -1.403 -6.062) 6.222 10.205 ( 0.000 -1.951 -5.543) 5.877 11.330 ( 0.000 -1.858 22.074) 22.152 12.048 ( 0.000 -4.665 -14.592) 15.320 15.811 ( 0.000 1.638 5.457) 5.697 16.032 ( 0.000 0.129 -4.848) 4.850 16.153 ( 0.000 0.094 3.693) 3.694 16.328 ( 0.000 -1.403 -4.138) 4.369 17.502 ( 0.000 4.858 1.087) 4.979 17.550 ( 0.000 6.051 -1.853) 6.329 18.123 ( 0.000 -2.293 0.637) 2.380 18.150 ( 0.000 -2.206 -0.632) 2.295 19.750 ( 0.000 8.723 0.926) 8.772 19.878 ( 0.000 18.051 -9.074) 20.203 21.159 ( 0.000 -2.941 -0.075) 2.942 21.160 ( 0.000 -2.343 -0.151) 2.348 26.071 ( 0.000 0.969 0.954) 1.360 26.111 ( 0.000 1.012 -1.017) 1.435 26.439 ( 0.000 -1.644 0.241) 1.661 26.450 ( 0.000 -1.818 -0.289) 1.841 33.524 ( 0.000 2.715 6.298) 6.858 33.768 ( 0.000 5.480 -5.666) 7.883 35.923 ( 0.000 -45.744 26.847) 53.040 36.274 ( 0.000 0.915 4.907) 4.992 36.344 ( 0.000 -14.102 -2.744) 14.367 36.459 ( 0.000 0.582 -3.463) 3.512 36.620 ( 0.000 -3.086 5.742) 6.519 36.977 ( 0.000 1.436 -11.384) 11.474 ======================= Grid point 210 (68/120) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 9.884 15.320 15.166) 23.715 1.294 ( 10.720 8.131 15.408) 20.456 1.692 ( 3.293 -0.052 -10.365) 10.876 1.857 ( 2.088 5.266 -14.782) 15.831 2.060 ( 9.308 6.701 8.023) 13.997 2.244 ( 12.377 8.747 -0.552) 15.166 2.874 ( 1.721 0.132 12.294) 12.414 2.885 ( -0.249 0.052 4.733) 4.740 2.988 ( 3.552 0.191 17.966) 18.315 3.098 ( 3.796 -1.487 2.273) 4.667 3.141 ( 2.876 1.609 -1.994) 3.852 3.216 ( -0.001 -3.136 6.360) 7.091 3.448 ( -0.897 -3.421 2.574) 4.374 3.539 ( 0.163 0.318 -3.327) 3.346 3.960 ( 0.186 -4.908 -1.640) 5.178 4.592 ( -4.718 2.863 -10.284) 11.671 4.640 ( -1.102 0.642 -15.440) 15.493 4.809 ( -4.462 4.282 -3.460) 7.086 5.382 ( -2.778 5.490 20.065) 20.987 6.082 ( -7.254 2.112 -14.032) 15.937 6.329 ( -5.105 3.702 3.039) 7.000 6.702 ( 1.503 7.285 -1.798) 7.652 6.772 ( -0.271 -10.850 3.485) 11.399 6.949 ( -4.747 -3.385 -4.904) 7.619 7.042 ( -5.872 -6.398 3.375) 9.317 7.327 ( 0.082 6.331 -0.822) 6.384 7.463 ( -12.060 3.740 9.866) 16.024 7.704 ( 8.278 1.656 6.061) 10.392 7.811 ( -3.431 -0.983 -1.723) 3.963 7.982 ( 2.302 1.855 -1.007) 3.123 8.194 ( -0.381 0.297 5.434) 5.455 8.482 ( -0.524 -0.777 -7.802) 7.858 8.736 ( 14.869 -1.938 9.445) 17.721 9.038 ( 13.948 -7.875 -9.383) 18.564 9.732 ( -0.365 3.883 -9.252) 10.040 9.762 ( -6.469 -0.134 5.152) 8.271 9.829 ( 2.628 13.487 -7.238) 15.531 9.954 ( -4.181 -1.818 -3.019) 5.468 10.183 ( 4.438 -4.649 -1.719) 6.653 10.308 ( 5.962 -1.376 -4.700) 7.716 11.333 ( 0.253 -1.694 20.930) 21.000 12.012 ( -3.419 -4.608 -13.458) 14.630 15.858 ( 4.191 0.833 5.092) 6.647 16.067 ( 2.453 -0.841 -3.356) 4.241 16.173 ( 1.814 0.459 2.806) 3.373 16.330 ( 0.161 -1.147 -3.657) 3.836 17.445 ( -3.564 2.444 0.567) 4.359 17.572 ( -0.072 6.866 -0.668) 6.899 18.007 ( -8.143 -2.369 -0.798) 8.518 18.076 ( -7.017 0.102 -0.573) 7.041 19.720 ( -1.642 7.779 0.049) 7.950 19.895 ( 0.425 16.219 -5.627) 17.172 21.131 ( -1.519 -3.795 -0.078) 4.089 21.175 ( 0.273 -1.651 -0.147) 1.680 26.086 ( 1.315 0.947 0.700) 1.766 26.116 ( 0.396 0.997 -0.766) 1.318 26.427 ( -0.709 -2.188 -0.003) 2.300 26.459 ( 0.488 -1.209 -0.083) 1.306 33.576 ( 4.857 2.428 5.574) 7.781 33.786 ( 1.774 4.847 -4.599) 6.913 35.170 ( -33.397 -12.948 35.081) 50.137 36.118 ( -22.544 -9.158 -14.647) 28.401 36.320 ( 4.354 1.128 3.985) 6.010 36.501 ( 3.536 2.193 -3.570) 5.483 37.101 ( 35.427 -19.324 2.320) 40.421 37.813 ( 48.097 -15.116 -13.773) 52.263 ======================= Grid point 211 (69/120) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 15.472 10.435 9.313) 20.857 1.478 ( 6.582 1.971 9.178) 11.465 1.725 ( -0.814 -4.547 -4.011) 6.117 1.960 ( 7.791 7.952 -13.036) 17.143 2.236 ( 7.379 -0.151 -0.135) 7.382 2.494 ( 9.709 6.651 1.704) 11.892 2.892 ( 0.881 -3.783 -0.439) 3.909 2.934 ( 2.083 -0.939 2.898) 3.690 3.094 ( 2.889 2.284 8.579) 9.337 3.176 ( -1.128 -7.154 -0.093) 7.243 3.211 ( 3.861 2.004 3.222) 5.413 3.328 ( 19.259 5.134 16.216) 25.695 3.434 ( 0.635 0.587 4.260) 4.347 3.554 ( 1.280 -0.819 1.014) 1.827 3.966 ( 0.419 -2.332 -2.328) 3.321 4.415 ( -9.849 2.696 4.325) 11.089 4.604 ( -9.227 0.786 -6.032) 11.051 4.732 ( 2.565 -1.669 -24.411) 24.602 5.308 ( -5.016 7.497 17.085) 19.320 5.887 ( -11.446 5.212 -11.912) 17.322 6.173 ( -9.808 10.336 0.408) 14.255 6.564 ( -14.947 21.860 -1.303) 26.514 6.682 ( -7.285 -10.968 4.242) 13.833 6.843 ( -5.550 -10.464 0.147) 11.846 6.996 ( -4.931 -6.679 8.220) 11.683 7.264 ( -3.162 7.551 1.308) 8.291 7.293 ( 0.855 5.221 -1.187) 5.422 7.607 ( -12.542 -0.664 -9.544) 15.774 7.991 ( 18.077 -2.796 4.170) 18.761 8.075 ( 6.219 -2.230 6.651) 9.374 8.372 ( 13.011 3.432 3.213) 13.834 8.542 ( 5.682 1.666 -3.691) 6.977 9.026 ( 12.450 -4.415 9.040) 16.007 9.272 ( 8.760 -5.338 -4.374) 11.152 9.659 ( -2.152 1.470 5.954) 6.499 9.704 ( -1.695 -0.535 -5.272) 5.564 9.800 ( -3.372 1.756 -6.155) 7.234 9.989 ( 4.281 2.264 -11.277) 12.273 10.259 ( 2.475 -5.365 -1.116) 6.012 10.401 ( 2.754 -1.181 -3.400) 4.531 11.339 ( 0.400 -1.697 17.859) 17.944 11.910 ( -6.130 -4.426 -10.772) 13.160 15.961 ( 4.960 -0.268 3.985) 6.368 16.107 ( 1.300 -1.562 -1.467) 2.507 16.216 ( 1.892 0.846 2.252) 3.061 16.330 ( -0.296 -0.512 -2.730) 2.793 17.375 ( -3.012 -0.030 0.723) 3.098 17.520 ( -4.541 4.835 0.332) 6.642 17.852 ( -6.756 -0.150 -1.593) 6.943 17.922 ( -6.010 1.199 -2.989) 6.818 19.700 ( -0.350 6.096 0.010) 6.106 19.881 ( -1.626 13.866 -2.480) 14.179 21.101 ( -1.251 -4.595 -0.039) 4.762 21.171 ( -0.673 -1.264 -0.170) 1.442 26.116 ( 1.298 0.875 0.014) 1.566 26.126 ( 0.540 1.065 -0.222) 1.214 26.414 ( -0.495 -2.534 -0.073) 2.583 26.465 ( 0.039 -0.653 -0.047) 0.656 33.717 ( 8.289 1.734 3.942) 9.341 33.840 ( 3.310 3.546 -1.973) 5.237 34.697 ( -13.840 -3.085 29.412) 32.652 35.683 ( -19.173 -6.810 -20.471) 28.862 36.447 ( 7.466 1.566 2.771) 8.117 36.606 ( 6.019 4.192 -1.656) 7.520 37.805 ( 31.744 -16.039 8.553) 36.580 38.614 ( 27.836 -17.356 -18.616) 37.718 ======================= Grid point 212 (70/120) ======================= q-point: ( 0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 1.240 -1.062 3.852) 4.183 1.676 ( -2.608 -2.529 -1.114) 3.800 1.768 ( 14.561 5.282 4.086) 16.019 2.136 ( 8.273 8.082 -6.532) 13.283 2.403 ( 8.773 -3.422 0.038) 9.417 2.663 ( 6.165 4.195 2.073) 7.740 2.924 ( 3.069 -0.932 -0.237) 3.216 2.957 ( 1.151 -3.004 0.644) 3.281 3.058 ( -6.316 -8.055 -0.104) 10.237 3.170 ( 3.702 1.985 4.203) 5.943 3.350 ( 6.812 1.611 2.241) 7.350 3.429 ( 0.827 4.078 0.236) 4.167 3.579 ( 1.368 -0.392 3.198) 3.500 3.825 ( 18.757 1.038 4.449) 19.305 3.993 ( 5.130 1.777 5.660) 7.843 4.201 ( -10.252 1.547 4.227) 11.197 4.369 ( -11.728 0.884 -3.598) 12.299 4.798 ( 1.908 -3.616 -21.599) 21.983 5.162 ( -8.342 7.065 12.178) 16.365 5.592 ( -16.328 7.344 -7.800) 19.529 5.958 ( -10.195 16.283 -0.083) 19.211 6.188 ( -18.649 21.458 -3.102) 28.598 6.534 ( -6.592 -6.922 2.361) 9.846 6.661 ( -10.845 -3.514 1.176) 11.461 6.823 ( -7.903 -2.458 10.773) 13.585 7.150 ( -8.984 1.527 -1.237) 9.196 7.430 ( 2.158 -3.380 -3.559) 5.362 7.461 ( 4.918 0.895 -3.300) 5.990 8.200 ( 6.549 -9.299 5.011) 12.429 8.391 ( 17.944 -6.041 1.651) 19.005 8.651 ( 11.052 7.587 1.504) 13.490 8.706 ( 10.878 5.252 -0.690) 12.099 9.254 ( 9.358 -4.631 7.241) 12.707 9.429 ( 6.771 -3.232 -2.297) 7.847 9.663 ( -0.142 4.600 1.035) 4.717 9.690 ( 2.848 0.287 3.498) 4.520 9.753 ( -1.299 -7.000 -5.255) 8.849 10.047 ( 0.970 4.198 -10.311) 11.175 10.284 ( 0.061 -6.036 -1.205) 6.155 10.422 ( -0.742 -0.899 -2.197) 2.487 11.354 ( 1.141 -2.018 13.015) 13.220 11.766 ( -7.404 -4.041 -7.481) 11.275 16.046 ( 3.008 -0.653 2.310) 3.848 16.122 ( 0.136 -1.043 -0.757) 1.296 16.245 ( 0.926 0.542 1.656) 1.973 16.317 ( -0.846 0.068 -2.307) 2.458 17.322 ( -1.953 -1.025 0.978) 2.413 17.417 ( -4.592 1.987 0.209) 5.008 17.731 ( -4.201 1.990 0.499) 4.676 17.834 ( -3.273 0.357 -4.960) 5.953 19.701 ( 0.410 5.835 0.047) 5.850 19.837 ( -2.387 11.680 -1.053) 11.968 21.082 ( -0.542 -4.762 -0.012) 4.793 21.149 ( -1.302 -1.578 -0.162) 2.052 26.131 ( 0.418 0.836 -0.299) 0.981 26.142 ( 0.725 1.160 -0.205) 1.383 26.408 ( -0.047 -2.460 -0.080) 2.462 26.460 ( -0.511 -0.430 -0.040) 0.669 33.900 ( 8.551 1.019 3.277) 9.213 33.919 ( 3.992 2.447 1.249) 4.845 34.524 ( -3.517 -0.195 18.096) 18.436 35.311 ( -16.513 -4.709 -19.212) 25.768 36.613 ( 7.928 2.803 1.774) 8.594 36.732 ( 5.595 5.746 -0.375) 8.029 38.406 ( 25.293 -13.153 8.785) 29.832 39.020 ( 12.302 -13.799 -13.408) 22.837 ======================= Grid point 213 (71/120) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.236 -1.524 3.177) 3.532 1.610 ( -2.991 -1.987 1.154) 3.772 2.051 ( 12.069 2.379 0.316) 12.305 2.275 ( 3.927 5.307 -3.388) 7.420 2.580 ( 7.315 -2.045 -1.181) 7.687 2.693 ( -2.125 0.548 1.324) 2.563 2.922 ( -4.621 -8.661 -1.408) 9.917 2.990 ( 0.188 -4.194 -0.382) 4.216 3.097 ( 12.521 2.519 -0.122) 12.773 3.269 ( 4.635 6.260 6.141) 9.919 3.391 ( 0.013 2.860 5.555) 6.248 3.524 ( 3.240 3.007 -1.820) 4.781 3.622 ( 5.129 1.306 3.856) 6.548 3.900 ( -2.850 1.131 -7.083) 7.718 3.976 ( -9.019 -1.099 3.422) 9.709 4.106 ( -10.951 0.057 -0.046) 10.951 4.363 ( 16.664 0.033 3.343) 16.996 4.782 ( -3.547 -4.304 -13.421) 14.534 5.016 ( -4.078 6.294 4.635) 8.816 5.255 ( -14.531 8.903 -3.652) 17.429 5.763 ( -7.533 19.581 0.035) 20.980 5.852 ( -12.461 19.495 -3.790) 23.446 6.404 ( -5.226 -0.167 3.407) 6.241 6.456 ( -7.766 1.675 3.131) 8.539 6.736 ( -0.146 -3.812 6.483) 7.522 6.949 ( -8.908 -1.988 -2.121) 9.370 7.472 ( 3.077 -3.561 -0.187) 4.710 7.559 ( 1.378 -0.605 -0.700) 1.660 8.381 ( 10.432 -13.230 1.922) 16.958 8.633 ( 3.711 -10.586 1.110) 11.272 8.854 ( 9.799 5.156 0.656) 11.092 8.931 ( 7.807 4.756 0.501) 9.155 9.412 ( 6.243 1.007 4.066) 7.518 9.545 ( 3.737 -1.188 -1.529) 4.209 9.668 ( -0.056 3.161 0.604) 3.218 9.710 ( -3.309 -6.868 -3.827) 8.530 9.812 ( 8.625 0.785 5.646) 10.338 10.050 ( -0.118 4.605 -4.714) 6.591 10.269 ( -1.042 -5.118 -1.895) 5.556 10.371 ( -3.927 -1.053 -2.147) 4.598 11.395 ( 3.006 -2.367 6.982) 7.962 11.613 ( -7.003 -3.444 -3.668) 8.623 16.088 ( 1.250 -0.508 0.892) 1.618 16.118 ( -0.434 -0.302 -0.219) 0.572 16.259 ( 0.602 0.129 -0.081) 0.621 16.297 ( -1.078 0.232 -2.088) 2.361 17.296 ( -0.520 -0.975 1.118) 1.572 17.340 ( -2.703 0.502 0.506) 2.796 17.684 ( -0.338 1.486 0.518) 1.609 17.767 ( -3.175 0.259 -3.431) 4.682 19.716 ( 1.052 6.641 -0.005) 6.724 19.787 ( -2.261 9.728 -0.444) 9.997 21.079 ( 0.309 -4.302 -0.020) 4.313 21.120 ( -1.413 -2.402 -0.121) 2.790 26.139 ( 0.390 0.929 -0.296) 1.050 26.150 ( 0.068 1.142 -0.446) 1.228 26.413 ( 0.474 -1.974 -0.067) 2.031 26.445 ( -0.864 -0.666 -0.044) 1.092 33.999 ( 3.470 1.788 4.745) 6.144 34.036 ( 3.645 0.949 5.971) 7.059 34.541 ( 5.199 -0.120 3.917) 6.511 34.991 ( -14.142 -2.901 -14.541) 20.490 36.759 ( 5.615 4.326 1.139) 7.179 36.823 ( 2.689 6.149 0.302) 6.718 38.847 ( 16.697 -11.161 5.051) 20.709 39.162 ( 1.713 -11.291 -6.676) 13.229 ======================= Grid point 214 (72/120) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -1.253 -1.402 2.832) 3.399 1.564 ( 1.253 -1.402 2.832) 3.399 2.253 ( -6.284 1.758 -2.015) 6.829 2.253 ( 6.284 1.758 -2.015) 6.829 2.660 ( -0.866 -0.663 -0.346) 1.144 2.660 ( 0.866 -0.663 -0.346) 1.144 2.929 ( -4.585 -6.095 -1.619) 7.797 2.929 ( 4.585 -6.095 -1.619) 7.797 3.302 ( -3.378 6.790 3.834) 8.498 3.302 ( 3.378 6.790 3.834) 8.498 3.458 ( -6.713 2.161 5.287) 8.814 3.458 ( 6.713 2.161 5.287) 8.814 3.793 ( -7.625 2.035 -3.709) 8.720 3.793 ( 7.625 2.035 -3.709) 8.720 3.906 ( -4.663 -1.417 0.494) 4.898 3.906 ( 4.663 -1.417 0.494) 4.898 4.645 ( -9.869 -3.623 -5.328) 11.786 4.645 ( 9.869 -3.623 -5.328) 11.786 5.033 ( -5.982 7.739 -0.258) 9.785 5.033 ( 5.982 7.739 -0.258) 9.785 5.696 ( -2.028 20.079 -1.913) 20.272 5.696 ( 2.028 20.079 -1.913) 20.272 6.358 ( -1.317 2.737 4.430) 5.372 6.358 ( 1.317 2.737 4.430) 5.372 6.797 ( -5.441 -3.603 1.367) 6.667 6.797 ( 5.441 -3.603 1.367) 6.667 7.537 ( -2.667 -2.402 -0.145) 3.592 7.537 ( 2.667 -2.402 -0.145) 3.592 8.583 ( -7.348 -12.736 1.579) 14.788 8.583 ( 7.348 -12.736 1.579) 14.788 8.992 ( -2.150 2.204 0.397) 3.104 8.992 ( 2.150 2.204 0.397) 3.104 9.544 ( -5.703 1.826 -1.328) 6.134 9.544 ( 5.703 1.826 -1.328) 6.134 9.650 ( -1.747 0.223 1.440) 2.275 9.650 ( 1.747 0.223 1.440) 2.275 9.996 ( -6.581 1.055 1.984) 6.954 9.996 ( 6.581 1.055 1.984) 6.954 10.284 ( -3.243 -2.381 -3.139) 5.103 10.284 ( 3.243 -2.381 -3.139) 5.103 11.482 ( -5.307 -2.819 1.123) 6.113 11.482 ( 5.307 -2.819 1.123) 6.113 16.106 ( -0.633 -0.194 0.160) 0.681 16.106 ( 0.633 -0.194 0.160) 0.681 16.275 ( -0.938 0.103 -1.464) 1.742 16.275 ( 0.938 0.103 -1.464) 1.742 17.302 ( -1.056 -0.397 0.945) 1.472 17.302 ( 1.056 -0.397 0.945) 1.472 17.707 ( -2.269 0.662 -1.089) 2.603 17.707 ( 2.269 0.662 -1.089) 2.603 19.745 ( -1.716 8.020 -0.154) 8.203 19.745 ( 1.716 8.020 -0.154) 8.203 21.094 ( -1.031 -3.419 -0.064) 3.572 21.094 ( 1.031 -3.419 -0.064) 3.572 26.147 ( -0.305 1.053 -0.412) 1.171 26.147 ( 0.305 1.053 -0.412) 1.171 26.427 ( -0.842 -1.272 -0.055) 1.526 26.427 ( 0.842 -1.272 -0.055) 1.526 34.053 ( -1.406 1.390 7.190) 7.457 34.053 ( 1.406 1.390 7.190) 7.457 34.722 ( -11.310 -1.384 -7.586) 13.689 34.722 ( 11.310 -1.384 -7.586) 13.689 36.835 ( -1.558 5.568 0.717) 5.827 36.835 ( 1.558 5.568 0.717) 5.827 39.100 ( -7.550 -10.460 -0.397) 12.906 39.100 ( 7.550 -10.460 -0.397) 12.906 ======================= Grid point 220 (73/120) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 7.541 12.764) 14.825 1.414 ( 0.000 17.666 14.814) 23.055 1.622 ( 0.000 -3.961 -0.369) 3.978 2.001 ( 0.000 10.174 -14.639) 17.828 2.284 ( 0.000 17.615 1.588) 17.687 2.363 ( 0.000 15.396 -4.040) 15.917 2.779 ( 0.000 -10.160 5.289) 11.455 2.884 ( 0.000 -4.788 -1.639) 5.061 2.973 ( 0.000 8.345 23.278) 24.728 3.030 ( 0.000 0.863 4.270) 4.357 3.119 ( 0.000 -0.399 5.790) 5.804 3.161 ( 0.000 -2.316 4.061) 4.675 3.369 ( 0.000 -1.225 3.804) 3.996 3.535 ( 0.000 -3.297 -5.680) 6.567 3.849 ( 0.000 -3.985 4.034) 5.671 4.583 ( 0.000 0.156 -26.606) 26.607 4.840 ( 0.000 2.887 0.003) 2.887 4.870 ( 0.000 -2.737 -2.101) 3.450 5.545 ( 0.000 8.368 20.442) 22.088 6.141 ( 0.000 -2.844 -9.392) 9.813 6.487 ( 0.000 4.422 6.438) 7.810 6.506 ( 0.000 -10.185 7.984) 12.941 6.751 ( 0.000 5.481 -6.448) 8.462 6.838 ( 0.000 -7.875 1.082) 7.949 7.156 ( 0.000 -0.720 2.570) 2.669 7.214 ( 0.000 -0.380 0.373) 0.532 7.551 ( 0.000 -7.243 2.584) 7.690 7.729 ( 0.000 -5.652 1.527) 5.855 7.851 ( 0.000 4.590 3.426) 5.728 7.885 ( 0.000 8.870 -0.302) 8.875 8.314 ( 0.000 -3.480 6.750) 7.594 8.586 ( 0.000 10.639 -1.247) 10.712 8.714 ( 0.000 9.790 -5.600) 11.278 8.824 ( 0.000 6.348 -18.787) 19.831 9.692 ( 0.000 -8.009 6.221) 10.141 9.810 ( 0.000 -6.564 -3.250) 7.325 9.917 ( 0.000 -8.953 1.469) 9.073 10.087 ( 0.000 11.706 -1.782) 11.841 10.091 ( 0.000 -6.344 -5.270) 8.248 10.230 ( 0.000 8.798 -7.923) 11.840 11.297 ( 0.000 -0.588 19.070) 19.079 11.910 ( 0.000 -8.363 -11.698) 14.380 15.853 ( 0.000 2.348 5.263) 5.763 16.028 ( 0.000 -0.660 -1.284) 1.444 16.162 ( 0.000 0.829 0.440) 0.939 16.295 ( 0.000 -1.628 -3.922) 4.246 17.626 ( 0.000 6.362 1.109) 6.458 17.673 ( 0.000 5.402 -1.414) 5.584 18.069 ( 0.000 -2.733 0.119) 2.736 18.091 ( 0.000 -3.270 -0.708) 3.345 19.998 ( 0.000 14.403 2.493) 14.617 20.259 ( 0.000 16.751 -14.038) 21.856 21.063 ( 0.000 -6.336 0.280) 6.342 21.087 ( 0.000 -4.694 -0.921) 4.783 26.098 ( 0.000 1.603 0.630) 1.722 26.139 ( 0.000 1.438 -1.250) 1.906 26.401 ( 0.000 -1.784 -0.232) 1.799 26.403 ( 0.000 -2.430 -0.164) 2.436 33.605 ( 0.000 4.930 8.835) 10.118 33.908 ( 0.000 6.742 -4.635) 8.182 35.126 ( 0.000 -27.094 33.987) 43.465 35.932 ( 0.000 -23.197 -11.904) 26.073 36.308 ( 0.000 2.092 4.810) 5.245 36.473 ( 0.000 0.470 0.403) 0.619 36.582 ( 0.000 -0.568 3.953) 3.994 36.932 ( 0.000 -4.493 -10.044) 11.003 ======================= Grid point 221 (74/120) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 3.211 4.920 11.258) 12.699 1.489 ( 7.072 16.458 11.858) 21.483 1.622 ( -0.056 -4.648 -0.080) 4.649 2.022 ( 2.347 9.569 -14.121) 17.218 2.299 ( 1.940 13.089 -0.188) 13.233 2.478 ( 7.625 11.148 -0.443) 13.513 2.770 ( -0.110 -9.383 3.350) 9.964 2.875 ( -0.175 -4.070 -1.349) 4.291 3.049 ( 2.297 2.067 7.911) 8.493 3.084 ( 6.889 6.648 13.765) 16.767 3.157 ( 1.936 -2.690 10.570) 11.077 3.176 ( 5.340 2.397 2.986) 6.571 3.383 ( 1.448 -0.354 4.612) 4.847 3.538 ( 0.554 -2.234 -4.659) 5.197 3.858 ( 1.059 -3.951 3.055) 5.105 4.594 ( 0.766 -0.583 -24.558) 24.577 4.701 ( -9.536 2.131 0.026) 9.771 4.822 ( -6.424 -2.965 -3.426) 7.861 5.546 ( -0.258 9.597 18.398) 20.752 6.118 ( -2.618 -0.274 -8.940) 9.320 6.453 ( 0.203 5.690 3.944) 6.926 6.479 ( -2.980 -11.178 7.181) 13.616 6.778 ( 1.202 0.684 -3.905) 4.142 6.856 ( -1.523 -2.485 1.145) 3.131 7.127 ( 1.125 5.408 1.635) 5.760 7.397 ( 8.926 0.074 1.329) 9.024 7.490 ( -4.329 1.501 -1.767) 4.911 7.737 ( -2.453 -1.197 4.236) 5.039 7.859 ( -2.609 7.516 0.203) 7.959 8.008 ( 14.210 -2.465 0.477) 14.430 8.090 ( -9.925 -2.237 4.943) 11.312 8.573 ( -4.840 8.130 -9.439) 13.365 8.790 ( 12.402 6.947 2.962) 14.521 9.017 ( 10.729 3.328 -10.710) 15.521 9.574 ( -6.656 -10.476 0.812) 12.439 9.717 ( -7.488 -9.233 -0.292) 11.891 9.942 ( 0.809 -3.162 2.088) 3.875 10.084 ( -0.846 8.715 -3.598) 9.466 10.158 ( 2.433 0.627 -1.182) 2.776 10.243 ( 3.112 -0.747 -9.115) 9.661 11.301 ( 0.281 -0.686 17.911) 17.926 11.875 ( -3.242 -8.234 -10.753) 13.926 15.884 ( 2.823 1.608 4.328) 5.411 16.045 ( 1.302 -1.302 -0.357) 1.876 16.186 ( 2.124 0.892 0.233) 2.315 16.304 ( 0.702 -1.316 -3.352) 3.669 17.524 ( -6.118 4.581 0.416) 7.655 17.701 ( -1.405 4.937 -0.160) 5.135 17.958 ( -6.300 -1.941 -1.039) 6.674 18.068 ( -4.222 -0.901 -0.468) 4.342 19.954 ( -3.082 13.904 0.786) 14.264 20.256 ( -0.936 16.792 -9.293) 19.215 21.020 ( -2.574 -6.927 -0.117) 7.391 21.112 ( 0.892 -4.388 -0.488) 4.505 26.113 ( 1.262 1.562 0.409) 2.049 26.144 ( 0.428 1.482 -0.968) 1.821 26.380 ( -1.055 -2.125 -0.375) 2.402 26.422 ( 0.827 -2.204 0.000) 2.355 33.648 ( 4.103 4.435 8.002) 10.027 33.909 ( 0.277 5.795 -2.832) 6.456 34.880 ( -15.229 -11.929 29.327) 35.133 35.804 ( -14.454 -19.708 -14.599) 28.469 36.354 ( 4.668 2.116 3.235) 6.061 36.571 ( 5.191 4.043 -2.593) 7.072 36.768 ( 27.709 -10.228 -0.007) 29.537 37.488 ( 36.523 -15.379 -3.050) 39.746 ======================= Grid point 222 (75/120) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.819 0.011 4.931) 5.255 1.615 ( -0.735 -5.275 0.472) 5.347 1.694 ( 11.703 13.186 7.898) 19.319 2.108 ( 5.868 6.507 -10.075) 13.352 2.352 ( 3.365 9.327 1.636) 10.050 2.617 ( 5.613 4.945 3.815) 8.397 2.797 ( 2.688 -6.748 1.892) 7.506 2.878 ( 0.223 -5.771 -2.971) 6.495 3.017 ( -4.253 -3.139 1.256) 5.433 3.162 ( 3.193 3.214 3.174) 5.532 3.242 ( 4.920 -0.853 8.965) 10.262 3.430 ( 3.691 2.452 4.879) 6.591 3.491 ( 19.626 9.183 11.072) 24.333 3.564 ( 1.734 -0.141 -2.053) 2.691 3.899 ( 3.004 -3.068 2.362) 4.901 4.475 ( -10.655 2.701 0.436) 11.001 4.574 ( -6.962 -3.902 -8.225) 11.460 4.696 ( -1.709 -1.928 -18.779) 18.955 5.502 ( -4.577 10.457 15.246) 19.046 6.022 ( -6.947 6.783 -8.129) 12.663 6.362 ( -4.388 -7.281 7.472) 11.318 6.532 ( 1.430 6.627 0.834) 6.830 6.660 ( -9.292 -1.649 -3.052) 9.918 6.826 ( -4.256 -3.512 2.809) 6.192 7.128 ( -4.873 19.489 3.529) 20.397 7.356 ( -4.679 7.699 -2.909) 9.467 7.431 ( -6.368 5.287 0.553) 8.295 7.547 ( -10.820 -4.367 -8.084) 14.195 7.939 ( 11.797 -2.177 4.057) 12.664 8.019 ( 1.760 -1.371 6.034) 6.433 8.421 ( 20.261 -0.153 1.723) 20.335 8.595 ( 7.256 4.445 -2.996) 9.022 9.014 ( 7.875 2.936 2.792) 8.856 9.218 ( 8.921 -0.996 -4.716) 10.140 9.486 ( -1.662 -11.927 -3.517) 12.545 9.611 ( -1.032 -7.965 2.863) 8.526 9.921 ( -3.147 1.016 -0.113) 3.309 10.020 ( -2.585 2.216 -2.411) 4.171 10.206 ( 1.737 1.263 -5.850) 6.232 10.328 ( 3.620 -4.881 -3.813) 7.174 11.303 ( -0.049 -1.227 15.190) 15.239 11.780 ( -5.687 -7.791 -8.445) 12.820 15.959 ( 3.979 0.266 2.791) 4.867 16.072 ( 1.268 -1.731 -0.307) 2.167 16.232 ( 1.887 0.829 0.942) 2.266 16.317 ( 0.398 -0.684 -2.374) 2.503 17.405 ( -5.008 2.513 0.625) 5.638 17.588 ( -7.750 1.330 -0.115) 7.864 17.868 ( -3.287 1.783 -1.041) 3.881 17.946 ( -6.197 1.008 -1.459) 6.446 19.904 ( -1.433 12.755 0.020) 12.836 20.210 ( -3.290 16.487 -4.136) 17.313 20.972 ( -1.817 -7.781 -0.097) 7.991 21.113 ( -0.773 -4.250 -0.395) 4.337 26.141 ( 1.074 1.402 -0.304) 1.792 26.156 ( 0.816 1.686 -0.173) 1.880 26.362 ( -0.633 -2.275 -0.333) 2.384 26.435 ( 0.370 -2.119 -0.019) 2.151 33.769 ( 7.169 3.188 5.940) 9.841 33.928 ( 1.719 4.062 0.355) 4.425 34.637 ( -7.897 -1.526 21.014) 22.501 35.476 ( -15.475 -12.642 -17.668) 26.673 36.501 ( 9.080 3.667 1.665) 9.933 36.726 ( 8.483 6.862 -0.681) 10.932 37.431 ( 32.763 -16.899 1.427) 36.892 38.191 ( 28.441 -21.519 -5.087) 36.025 ======================= Grid point 223 (76/120) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.474 -2.989 2.422) 3.876 1.587 ( -1.980 -5.045 1.462) 5.614 1.938 ( 10.914 9.657 2.494) 14.785 2.256 ( 7.602 2.824 -2.145) 8.388 2.456 ( 6.493 8.158 1.343) 10.512 2.696 ( 1.013 -2.157 2.317) 3.324 2.839 ( -5.152 -10.370 -1.705) 11.704 2.886 ( 5.583 -0.496 0.965) 5.688 2.976 ( 3.826 3.573 -0.559) 5.265 3.257 ( 5.936 5.011 3.124) 8.373 3.335 ( 3.531 -3.178 7.353) 8.754 3.518 ( 4.974 5.092 1.490) 7.272 3.596 ( 1.339 1.206 1.401) 2.283 3.832 ( 7.795 -0.807 -2.495) 8.225 4.029 ( 11.613 2.180 9.166) 14.955 4.257 ( -10.047 3.275 -0.605) 10.585 4.364 ( -11.005 -1.488 -3.842) 11.751 4.695 ( -0.510 -6.091 -18.723) 19.695 5.359 ( -8.162 11.514 10.137) 17.377 5.812 ( -12.922 12.809 -5.264) 18.941 6.313 ( -0.749 -1.035 2.602) 2.899 6.388 ( -10.629 7.933 -1.676) 13.369 6.530 ( -9.384 -3.596 3.721) 10.716 6.652 ( -7.049 8.390 -1.089) 11.012 6.921 ( -10.157 20.488 4.872) 23.381 7.189 ( -13.351 2.330 -2.533) 13.788 7.375 ( -0.242 0.052 -1.649) 1.668 7.468 ( 3.782 -0.417 -2.733) 4.685 8.038 ( 1.671 -5.601 4.813) 7.572 8.228 ( 12.045 -8.626 1.979) 14.947 8.780 ( 10.496 4.539 2.313) 11.667 8.811 ( 12.659 3.819 0.096) 13.222 9.158 ( 8.819 -5.376 3.070) 10.776 9.396 ( 7.233 -3.434 -3.899) 8.906 9.494 ( 2.463 -8.251 -4.352) 9.648 9.680 ( 6.683 -1.220 6.830) 9.633 9.816 ( -5.277 3.812 -0.755) 6.554 10.029 ( 2.005 -5.943 -2.683) 6.822 10.217 ( -0.551 0.182 -6.989) 7.013 10.373 ( 0.449 -2.927 -1.504) 3.321 11.306 ( 0.549 -2.076 11.144) 11.349 11.649 ( -6.597 -6.900 -5.571) 11.053 16.033 ( 2.876 -0.393 1.306) 3.183 16.096 ( 0.895 -1.360 -0.914) 1.867 16.258 ( 0.584 0.694 1.217) 1.518 16.317 ( -0.463 -0.178 -1.817) 1.883 17.322 ( -2.869 0.893 0.882) 3.132 17.439 ( -5.957 0.137 -0.254) 5.964 17.783 ( -4.270 2.701 0.485) 5.075 17.846 ( -3.675 0.729 -2.755) 4.650 19.895 ( 0.470 12.129 0.010) 12.139 20.130 ( -4.116 15.536 -1.691) 16.161 20.948 ( -0.430 -8.036 -0.048) 8.047 21.083 ( -2.028 -4.806 -0.296) 5.225 26.155 ( 0.509 1.374 -0.470) 1.539 26.175 ( 0.755 1.839 -0.028) 1.988 26.356 ( 0.135 -2.322 -0.243) 2.338 26.435 ( -0.415 -1.920 -0.062) 1.965 33.931 ( 7.706 1.831 4.392) 9.057 33.980 ( 3.140 2.970 2.018) 4.770 34.533 ( -2.287 1.531 12.814) 13.107 35.171 ( -13.639 -8.389 -15.918) 22.578 36.708 ( 10.058 6.277 0.894) 11.889 36.893 ( 6.924 9.177 0.217) 11.498 38.069 ( 27.261 -17.250 2.907) 32.390 38.647 ( 15.347 -20.639 -5.159) 26.232 ======================= Grid point 224 (77/120) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.225 -3.827 4.057) 5.581 1.542 ( -2.037 -4.507 3.566) 6.097 2.142 ( 8.759 5.466 -1.179) 10.391 2.370 ( 1.806 3.149 0.893) 3.739 2.591 ( 4.236 3.229 0.986) 5.416 2.651 ( -4.111 -4.521 2.214) 6.499 2.767 ( 1.838 -4.486 -3.681) 6.087 2.979 ( 1.293 3.320 -3.321) 4.871 3.175 ( 13.476 4.001 -0.792) 14.080 3.351 ( 2.806 0.551 6.316) 6.933 3.428 ( 5.359 2.518 8.971) 10.749 3.590 ( 0.617 2.057 -1.099) 2.413 3.670 ( 7.078 3.385 3.087) 8.431 3.853 ( -3.456 -4.085 -1.525) 5.564 4.037 ( -9.904 5.524 -4.172) 12.084 4.083 ( -10.854 -2.015 0.118) 11.040 4.353 ( 11.039 -1.088 -0.891) 11.129 4.652 ( -3.515 -7.824 -12.243) 14.949 5.226 ( -2.890 13.318 3.696) 14.120 5.519 ( -13.955 15.151 -3.001) 20.816 6.173 ( -7.810 11.059 -0.443) 13.546 6.228 ( -8.533 11.160 -2.439) 14.258 6.421 ( 2.221 -1.344 2.591) 3.668 6.562 ( -3.338 11.215 1.759) 11.833 6.751 ( -5.271 13.100 6.306) 15.465 6.925 ( -11.132 2.363 -1.066) 11.430 7.392 ( 2.558 -3.430 -0.341) 4.292 7.525 ( -0.447 -2.614 -0.151) 2.656 8.131 ( 7.478 -9.764 2.218) 12.497 8.376 ( 1.357 -12.347 1.575) 12.521 8.913 ( 5.099 -0.709 1.643) 5.404 9.007 ( 4.419 0.381 0.646) 4.482 9.377 ( 9.636 -3.695 2.536) 10.627 9.509 ( 3.366 -6.714 -3.704) 8.375 9.573 ( 4.436 0.546 -1.490) 4.711 9.732 ( -2.818 2.126 0.134) 3.532 9.856 ( 9.364 2.730 5.795) 11.346 10.059 ( 0.288 -5.970 -0.896) 6.043 10.203 ( -0.078 0.240 -6.631) 6.636 10.340 ( -3.552 -0.932 -1.303) 3.896 11.335 ( 2.351 -3.004 6.207) 7.286 11.515 ( -5.970 -5.583 -2.332) 8.500 16.079 ( 1.548 -0.338 0.123) 1.589 16.107 ( 0.177 -0.621 -0.989) 1.182 16.264 ( 0.287 0.378 0.185) 0.510 16.300 ( -1.080 0.006 -1.537) 1.879 17.285 ( -0.650 0.012 1.021) 1.210 17.343 ( -3.368 -0.233 0.237) 3.384 17.721 ( -1.378 1.857 0.314) 2.333 17.775 ( -3.088 0.465 -1.890) 3.650 19.921 ( 1.914 12.343 -0.004) 12.490 20.046 ( -3.858 14.316 -0.652) 14.841 20.954 ( 0.987 -7.657 -0.043) 7.721 21.035 ( -2.442 -5.778 -0.188) 6.276 26.166 ( 0.554 1.533 -0.345) 1.666 26.183 ( 0.014 1.873 -0.228) 1.887 26.367 ( 0.909 -2.219 -0.157) 2.403 26.418 ( -1.118 -1.857 -0.078) 2.169 34.044 ( 3.197 2.264 5.651) 6.876 34.065 ( 3.924 1.814 2.192) 4.847 34.545 ( 3.646 0.650 3.984) 5.440 34.905 ( -11.787 -5.101 -11.402) 17.175 36.896 ( 7.361 8.592 0.595) 11.330 36.998 ( 2.766 10.185 0.476) 10.564 38.544 ( 17.864 -16.523 2.068) 24.422 38.844 ( 3.705 -18.188 -3.017) 18.805 ======================= Grid point 225 (78/120) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -1.036 -4.040 5.040) 6.542 1.509 ( 1.036 -4.040 5.040) 6.542 2.307 ( -6.684 2.718 -1.936) 7.470 2.307 ( 6.684 2.718 -1.936) 7.470 2.609 ( -0.582 -2.406 3.617) 4.383 2.609 ( 0.582 -2.406 3.617) 4.383 2.902 ( -7.534 2.688 -6.343) 10.209 2.902 ( 7.534 2.688 -6.343) 10.209 3.403 ( -3.003 3.073 6.131) 7.487 3.403 ( 3.003 3.073 6.131) 7.487 3.518 ( -8.359 2.701 4.615) 9.923 3.518 ( 8.359 2.700 4.615) 9.923 3.819 ( -1.320 -3.634 2.174) 4.436 3.819 ( 1.320 -3.634 2.174) 4.436 3.883 ( -1.999 3.666 -6.452) 7.685 3.883 ( 1.999 3.666 -6.452) 7.685 4.546 ( -6.960 -5.671 -6.189) 10.904 4.546 ( 6.960 -5.671 -6.189) 10.904 5.279 ( -7.862 14.917 -0.818) 16.882 5.279 ( 7.862 14.917 -0.818) 16.882 6.107 ( -1.824 12.648 -1.676) 12.888 6.107 ( 1.824 12.648 -1.676) 12.888 6.491 ( -3.584 9.222 3.333) 10.440 6.491 ( 3.584 9.222 3.333) 10.440 6.748 ( -5.053 4.366 2.369) 7.086 6.748 ( 5.053 4.366 2.369) 7.086 7.467 ( -4.007 -4.030 0.204) 5.687 7.467 ( 4.007 -4.030 0.204) 5.687 8.302 ( -7.279 -12.501 1.447) 14.538 8.302 ( 7.279 -12.501 1.447) 14.538 9.009 ( -3.273 -2.716 1.070) 4.386 9.009 ( 3.273 -2.716 1.070) 4.386 9.512 ( -3.128 -3.248 -0.595) 4.548 9.512 ( 3.128 -3.248 -0.595) 4.548 9.666 ( -4.067 1.627 0.270) 4.389 9.666 ( 4.067 1.627 0.270) 4.389 10.019 ( -4.842 -1.034 2.127) 5.389 10.019 ( 4.842 -1.034 2.127) 5.389 10.245 ( -4.343 0.011 -3.683) 5.694 10.245 ( 4.343 0.011 -3.683) 5.694 11.406 ( -4.391 -4.169 1.536) 6.246 11.406 ( 4.391 -4.169 1.536) 6.246 16.102 ( -0.708 -0.209 -0.583) 0.940 16.102 ( 0.708 -0.209 -0.583) 0.940 16.277 ( -0.943 0.082 -0.993) 1.372 16.277 ( 0.943 0.082 -0.993) 1.372 17.294 ( -1.390 -0.297 0.790) 1.626 17.294 ( 1.390 -0.297 0.790) 1.626 17.724 ( -1.518 0.873 -0.602) 1.852 17.724 ( 1.518 0.873 -0.602) 1.852 19.973 ( -3.047 13.164 -0.190) 13.514 19.973 ( 3.047 13.164 -0.190) 13.514 20.987 ( -2.032 -6.824 -0.095) 7.121 20.987 ( 2.032 -6.824 -0.095) 7.121 26.177 ( -0.472 1.751 -0.303) 1.838 26.177 ( 0.472 1.751 -0.303) 1.838 26.391 ( -1.320 -2.006 -0.102) 2.404 26.391 ( 1.320 -2.006 -0.102) 2.404 34.092 ( -1.002 2.196 4.789) 5.363 34.092 ( 1.002 2.196 4.789) 5.363 34.684 ( -9.141 -2.174 -4.975) 10.631 34.684 ( 9.141 -2.174 -4.975) 10.631 37.001 ( -2.506 9.948 0.518) 10.272 37.001 ( 2.506 9.948 0.518) 10.272 38.807 ( -7.205 -16.645 -0.252) 18.140 38.807 ( 7.205 -16.645 -0.252) 18.140 ======================= Grid point 231 (79/120) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 2.099 7.429) 7.720 1.548 ( 0.000 -2.436 2.860) 3.757 1.798 ( 0.000 18.344 10.041) 20.913 2.234 ( 0.000 11.446 -11.802) 16.441 2.501 ( 0.000 -6.506 6.295) 9.053 2.521 ( 0.000 -1.409 7.284) 7.419 2.621 ( 0.000 6.645 4.410) 7.975 2.730 ( 0.000 -8.610 -6.566) 10.828 3.038 ( 0.000 -3.170 6.738) 7.447 3.060 ( 0.000 1.653 3.914) 4.249 3.148 ( 0.000 -0.564 -0.443) 0.717 3.305 ( 0.000 9.361 0.088) 9.361 3.412 ( 0.000 -0.226 0.718) 0.753 3.422 ( 0.000 5.110 3.321) 6.094 3.832 ( 0.000 4.258 13.906) 14.544 4.501 ( 0.000 -11.812 -8.157) 14.355 4.803 ( 0.000 0.209 -11.370) 11.372 4.866 ( 0.000 0.069 -6.483) 6.483 5.728 ( 0.000 7.615 14.822) 16.664 6.016 ( 0.000 -8.283 -0.683) 8.311 6.372 ( 0.000 -1.498 11.114) 11.215 6.545 ( 0.000 -0.545 11.131) 11.144 6.784 ( 0.000 2.299 5.729) 6.173 6.871 ( 0.000 5.256 -3.707) 6.432 7.151 ( 0.000 2.274 -6.078) 6.489 7.182 ( 0.000 -2.242 0.671) 2.340 7.380 ( 0.000 -8.370 -3.454) 9.054 7.528 ( 0.000 -11.891 -6.837) 13.717 7.994 ( 0.000 6.750 2.714) 7.275 8.046 ( 0.000 4.961 -0.600) 4.997 8.429 ( 0.000 13.634 8.482) 16.057 8.822 ( 0.000 10.953 -2.584) 11.254 8.905 ( 0.000 7.757 -3.643) 8.570 8.930 ( 0.000 1.239 -13.434) 13.491 9.513 ( 0.000 -7.377 7.017) 10.181 9.630 ( 0.000 -9.351 -1.769) 9.517 9.730 ( 0.000 -6.939 -2.764) 7.469 9.903 ( 0.000 -10.526 -8.466) 13.508 10.281 ( 0.000 7.170 1.316) 7.290 10.381 ( 0.000 3.977 -2.841) 4.888 11.337 ( 0.000 4.908 10.906) 11.959 11.711 ( 0.000 -10.374 -7.031) 12.532 15.906 ( 0.000 2.585 4.781) 5.435 16.002 ( 0.000 -1.727 2.011) 2.651 16.187 ( 0.000 1.545 -2.343) 2.806 16.260 ( 0.000 -1.752 -3.854) 4.234 17.748 ( 0.000 4.997 0.610) 5.034 17.771 ( 0.000 3.840 -0.504) 3.873 18.012 ( 0.000 -2.611 -0.081) 2.612 18.022 ( 0.000 -3.114 -0.441) 3.145 20.321 ( 0.000 15.818 2.866) 16.075 20.562 ( 0.000 12.410 -10.552) 16.290 20.891 ( 0.000 -10.148 1.034) 10.201 20.964 ( 0.000 -7.034 -2.699) 7.534 26.134 ( 0.000 1.680 0.012) 1.680 26.164 ( 0.000 0.733 -1.398) 1.578 26.360 ( 0.000 -1.488 0.079) 1.490 26.368 ( 0.000 -1.381 -0.477) 1.461 33.725 ( 0.000 6.532 12.188) 13.828 33.978 ( 0.000 -1.510 6.378) 6.554 34.839 ( 0.000 -0.421 12.594) 12.601 35.443 ( 0.000 -22.435 -13.278) 26.070 36.358 ( 0.000 2.623 5.197) 5.822 36.461 ( 0.000 -1.686 5.995) 6.228 36.608 ( 0.000 3.036 -3.443) 4.591 36.818 ( 0.000 -5.956 -8.115) 10.066 ======================= Grid point 232 (80/120) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.012 0.994 5.280) 5.372 1.544 ( -0.502 -2.579 2.976) 3.970 1.844 ( 4.316 17.045 8.758) 19.644 2.241 ( 0.667 10.914 -11.011) 15.518 2.507 ( -0.656 0.127 7.287) 7.318 2.517 ( 1.588 -6.153 6.072) 8.789 2.663 ( 3.675 4.391 6.104) 8.369 2.720 ( -0.906 -9.056 -6.060) 10.934 3.054 ( 0.646 0.036 4.236) 4.285 3.105 ( 4.010 0.040 5.505) 6.811 3.147 ( 0.717 -0.868 -0.001) 1.126 3.381 ( 4.239 -5.383 -5.916) 9.052 3.450 ( 5.358 9.555 2.950) 11.345 3.468 ( 4.798 6.812 5.687) 10.088 3.852 ( 2.029 5.442 13.283) 14.497 4.492 ( -1.180 -11.832 -5.988) 13.314 4.718 ( -7.301 1.435 -10.357) 12.753 4.777 ( -6.854 -0.436 -10.129) 12.238 5.739 ( 0.465 7.810 13.842) 15.900 6.027 ( 1.306 -7.459 -0.422) 7.584 6.335 ( -3.376 -1.614 9.890) 10.574 6.493 ( -2.842 -1.889 9.916) 10.487 6.838 ( -0.331 4.538 -5.153) 6.874 6.943 ( 6.529 7.361 1.294) 9.925 7.133 ( 0.856 -0.441 -1.954) 2.179 7.368 ( 11.362 -1.696 0.129) 11.489 7.420 ( 2.735 -7.557 -7.875) 11.252 7.710 ( 15.766 -6.147 1.149) 16.961 7.951 ( -0.310 2.601 2.144) 3.385 7.989 ( -5.158 4.111 0.345) 6.605 8.289 ( -9.817 17.826 6.049) 21.231 8.770 ( -5.099 9.352 -10.100) 14.679 8.968 ( 10.227 8.115 0.600) 13.069 9.067 ( 5.009 -1.335 -3.711) 6.375 9.353 ( -8.410 -8.479 -0.987) 11.983 9.471 ( -9.943 -12.395 -4.534) 16.524 9.841 ( 4.998 -4.172 2.307) 6.907 10.006 ( 5.249 -9.530 -2.911) 11.263 10.249 ( -1.946 6.263 -0.519) 6.579 10.336 ( -3.722 3.611 -4.006) 6.553 11.333 ( -0.496 4.222 10.631) 11.449 11.681 ( -2.805 -10.038 -6.197) 12.126 15.923 ( 1.698 2.105 3.637) 4.533 16.012 ( 0.844 -1.868 1.662) 2.639 16.211 ( 1.957 1.400 -1.631) 2.907 16.275 ( 1.218 -1.485 -3.081) 3.631 17.621 ( -7.626 4.491 0.188) 8.852 17.753 ( -6.127 -0.319 -0.114) 6.137 17.948 ( -1.531 1.280 -0.433) 2.042 18.039 ( -1.766 -1.797 -0.276) 2.535 20.270 ( -3.779 15.571 1.028) 16.056 20.570 ( -0.169 13.105 -7.207) 14.956 20.839 ( -3.465 -10.394 0.065) 10.956 20.991 ( 1.148 -7.157 -1.553) 7.413 26.147 ( 1.143 1.598 -0.136) 1.969 26.171 ( 0.628 0.901 -1.132) 1.577 26.345 ( -0.934 -1.026 -0.355) 1.432 26.376 ( 0.448 -2.033 0.010) 2.082 33.757 ( 2.947 5.794 11.161) 12.916 33.969 ( -0.507 -1.116 6.984) 7.091 34.775 ( -4.769 3.201 9.746) 11.313 35.370 ( -7.173 -20.450 -13.514) 25.539 36.407 ( 5.735 3.011 2.630) 6.991 36.568 ( 10.788 -4.418 1.310) 11.731 36.743 ( 15.343 6.789 -2.384) 16.946 37.185 ( 26.618 -13.441 -2.126) 29.895 ======================= Grid point 233 (81/120) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -1.381 -1.211 2.134) 2.815 1.526 ( -1.256 -3.182 2.699) 4.358 1.972 ( 7.734 13.396 5.918) 16.562 2.262 ( 1.477 8.270 -7.658) 11.367 2.515 ( 1.452 -3.851 5.255) 6.675 2.566 ( 2.766 -0.474 6.320) 6.915 2.696 ( -1.014 -8.291 -3.330) 8.992 2.769 ( 6.566 2.118 6.893) 9.753 3.044 ( -1.001 3.865 1.146) 4.153 3.187 ( 3.618 -2.455 4.548) 6.309 3.223 ( 5.896 2.249 2.086) 6.646 3.459 ( 4.403 -6.702 -4.125) 9.017 3.552 ( 5.151 4.848 4.254) 8.254 3.666 ( 9.957 4.345 -0.467) 10.873 3.932 ( 6.111 8.378 11.511) 15.493 4.429 ( -5.459 -9.323 -1.918) 10.973 4.534 ( -9.165 2.454 -7.360) 12.008 4.650 ( -4.895 -2.427 -16.850) 17.714 5.721 ( -2.740 9.946 11.908) 15.755 6.078 ( 3.669 -5.565 -0.015) 6.666 6.222 ( -6.982 0.977 7.659) 10.409 6.459 ( -1.252 -6.204 8.439) 10.549 6.722 ( -11.191 2.444 -7.545) 13.716 6.930 ( -4.474 3.522 -7.884) 9.725 7.300 ( 9.361 5.228 2.551) 11.022 7.392 ( -2.799 -2.740 -1.121) 4.074 7.545 ( -0.352 5.331 -2.001) 5.705 7.746 ( -8.000 13.525 1.813) 15.818 7.914 ( 3.393 0.654 3.460) 4.890 8.118 ( -5.754 14.259 2.584) 15.592 8.316 ( 24.471 -9.869 2.297) 26.486 8.763 ( 5.782 11.147 -5.059) 13.538 8.998 ( -6.586 -10.143 3.052) 12.473 9.187 ( 4.462 -2.429 -0.800) 5.143 9.289 ( 3.050 -4.726 -6.189) 8.363 9.412 ( 6.957 -8.250 -4.569) 11.720 9.879 ( -1.014 -1.550 4.703) 5.055 10.016 ( -3.944 -4.383 0.824) 5.954 10.263 ( -0.987 2.571 -5.267) 5.944 10.266 ( 1.783 -0.020 -3.662) 4.073 11.313 ( -1.278 2.696 9.623) 10.075 11.599 ( -4.760 -9.091 -4.326) 11.136 15.973 ( 2.881 1.042 1.840) 3.573 16.036 ( 1.440 -1.741 0.451) 2.303 16.252 ( 1.691 1.088 -0.245) 2.026 16.300 ( 0.944 -0.989 -1.871) 2.317 17.467 ( -6.697 3.187 0.322) 7.423 17.581 ( -8.602 -1.653 -0.387) 8.768 17.914 ( -2.579 2.247 -0.255) 3.430 17.959 ( -5.144 0.176 -0.594) 5.182 20.202 ( -2.265 15.054 0.047) 15.224 20.536 ( -3.040 14.189 -3.551) 14.939 20.775 ( -2.343 -11.008 -0.114) 11.255 20.992 ( -1.174 -7.443 -0.958) 7.595 26.171 ( 0.901 1.414 -0.594) 1.779 26.188 ( 1.061 1.165 -0.341) 1.612 26.328 ( -0.633 -0.726 -0.362) 1.029 26.384 ( 0.342 -2.524 0.031) 2.547 33.846 ( 5.445 4.011 8.492) 10.856 33.974 ( 1.263 -0.212 6.757) 6.877 34.679 ( -4.145 6.151 6.020) 9.553 35.180 ( -9.977 -14.880 -13.375) 22.357 36.600 ( 11.990 5.708 0.903) 13.311 36.835 ( 12.971 0.462 -0.070) 12.979 37.209 ( 26.961 -1.106 -0.494) 26.988 37.753 ( 25.650 -19.764 -0.931) 32.395 ======================= Grid point 234 (82/120) ======================= q-point: ( 0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.819 -2.545 2.470) 3.986 1.487 ( -2.406 -4.173 3.282) 5.828 2.140 ( 7.135 9.409 1.344) 11.885 2.318 ( 4.437 3.601 -1.325) 5.866 2.551 ( 1.269 -7.020 1.864) 7.373 2.594 ( -0.360 -5.587 0.875) 5.666 2.722 ( 4.098 6.081 3.034) 7.935 2.942 ( 9.753 3.040 4.529) 11.175 3.053 ( 2.846 3.489 1.766) 4.837 3.244 ( 1.670 -4.583 3.033) 5.744 3.369 ( 7.869 5.166 1.398) 9.517 3.553 ( 3.737 -3.238 -1.652) 5.213 3.659 ( 4.705 5.501 4.401) 8.471 3.802 ( 2.750 -1.618 -1.182) 3.403 4.096 ( 7.519 3.944 5.463) 10.096 4.272 ( -7.766 -3.179 -3.198) 8.980 4.359 ( -8.002 2.653 -6.245) 10.491 4.557 ( -4.294 -6.630 -14.446) 16.465 5.623 ( -5.856 13.139 8.370) 16.643 6.048 ( -9.502 3.378 4.456) 11.025 6.188 ( 6.461 -0.953 -0.169) 6.533 6.402 ( -5.985 -6.597 5.711) 10.581 6.447 ( -11.936 1.517 -5.803) 13.358 6.793 ( -7.450 -4.574 -8.302) 12.056 7.300 ( -5.626 16.349 3.566) 17.654 7.420 ( -1.012 6.351 2.110) 6.769 7.454 ( -2.392 2.360 -1.094) 3.534 7.533 ( -10.660 18.150 0.539) 21.056 7.986 ( -0.739 1.551 4.246) 4.580 8.113 ( 6.070 1.430 0.059) 6.236 8.700 ( 9.436 -15.793 1.309) 18.443 8.800 ( -2.868 -8.209 2.263) 8.986 9.093 ( 15.748 3.390 0.674) 16.123 9.262 ( 7.561 -2.275 -4.206) 8.946 9.465 ( 9.335 -0.147 -3.425) 9.944 9.612 ( 10.013 -6.318 -0.214) 11.841 9.836 ( -2.284 -0.160 2.996) 3.771 9.925 ( -3.117 -3.316 0.891) 4.637 10.232 ( -0.869 1.547 -6.760) 6.989 10.329 ( 2.024 -1.623 -1.239) 2.875 11.289 ( -0.774 0.945 7.490) 7.589 11.493 ( -5.090 -7.525 -2.273) 9.365 16.032 ( 2.545 0.298 0.382) 2.590 16.068 ( 1.498 -1.255 -0.778) 2.103 16.274 ( 0.385 0.857 0.419) 1.029 16.309 ( -0.149 -0.605 -1.193) 1.346 17.353 ( -4.127 1.856 0.581) 4.563 17.426 ( -5.934 -1.211 -0.220) 6.061 17.833 ( -4.627 1.904 0.208) 5.007 17.860 ( -4.127 0.451 -1.061) 4.285 20.180 ( 0.165 14.544 -0.033) 14.545 20.453 ( -4.553 14.741 -1.589) 15.510 20.747 ( -0.327 -11.133 -0.070) 11.138 20.947 ( -2.927 -8.251 -0.579) 8.774 26.186 ( 0.632 1.474 -0.507) 1.682 26.210 ( 0.882 1.198 -0.066) 1.489 26.321 ( -0.009 -0.703 -0.319) 0.772 26.386 ( -0.243 -2.549 -0.064) 2.561 33.973 ( 6.371 2.136 5.601) 8.747 34.023 ( 3.260 0.777 4.434) 5.558 34.607 ( -2.641 5.717 4.115) 7.522 34.974 ( -9.553 -10.092 -10.965) 17.702 36.869 ( 12.836 8.853 0.329) 15.596 37.074 ( 9.471 6.042 0.324) 11.239 37.775 ( 25.451 -8.080 0.263) 26.704 38.205 ( 16.957 -20.639 -1.165) 26.737 ======================= Grid point 235 (83/120) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -1.030 -3.708 5.006) 6.314 1.438 ( -1.976 -4.707 5.447) 7.466 2.247 ( 3.889 4.327 -1.497) 6.007 2.397 ( -0.168 -1.198 0.330) 1.255 2.565 ( 2.525 -1.530 2.994) 4.204 2.618 ( 1.922 -1.544 0.794) 2.590 2.826 ( 5.926 9.283 -0.575) 11.028 3.083 ( 0.306 4.879 -3.726) 6.146 3.214 ( 12.179 -0.867 5.398) 13.350 3.310 ( 7.371 -3.189 5.520) 9.746 3.511 ( 3.739 4.374 3.993) 7.004 3.597 ( 1.249 -0.691 -0.723) 1.600 3.736 ( 1.944 1.709 3.404) 4.276 3.775 ( -5.317 -3.018 0.511) 6.135 4.056 ( -7.134 1.303 -1.581) 7.422 4.163 ( -7.832 5.360 -10.252) 13.971 4.311 ( 5.470 -2.880 -1.838) 6.450 4.477 ( -3.229 -8.320 -9.582) 13.095 5.536 ( -1.020 15.426 3.688) 15.894 5.824 ( -11.500 11.623 0.189) 16.352 6.207 ( -6.540 -4.649 -0.316) 8.030 6.274 ( -5.066 -4.257 -0.895) 6.678 6.361 ( 6.286 2.195 -0.315) 6.666 6.660 ( -5.837 -5.474 -2.480) 8.378 7.180 ( -4.436 22.179 3.681) 22.915 7.283 ( -8.635 22.422 4.128) 24.379 7.370 ( -2.101 3.690 0.607) 4.290 7.454 ( -2.358 -3.864 0.291) 4.536 8.011 ( 3.901 -0.341 2.284) 4.533 8.187 ( -0.383 -3.786 0.471) 3.834 8.739 ( 1.664 -16.187 2.516) 16.465 8.829 ( 0.603 -16.392 -0.849) 16.425 9.388 ( 10.513 5.297 1.314) 11.845 9.458 ( 8.178 2.953 -1.357) 8.800 9.622 ( 5.246 2.412 -1.965) 6.099 9.732 ( 0.209 -3.066 -1.184) 3.293 9.858 ( 5.144 -2.618 2.550) 6.311 9.906 ( 0.802 -6.764 1.275) 6.930 10.232 ( 1.216 2.921 -5.283) 6.158 10.338 ( -1.187 -0.296 -1.164) 1.688 11.289 ( 0.854 -0.947 4.653) 4.825 11.396 ( -4.099 -5.408 -0.243) 6.790 16.076 ( 1.621 0.090 -0.662) 1.753 16.094 ( 0.853 -0.648 -1.382) 1.749 16.274 ( -0.137 0.544 0.089) 0.567 16.296 ( -0.920 -0.353 -0.935) 1.359 17.295 ( -1.443 0.795 0.805) 1.834 17.332 ( -3.175 -0.721 0.283) 3.268 17.756 ( -2.318 1.419 0.093) 2.720 17.783 ( -3.080 0.154 -0.698) 3.162 20.206 ( 2.193 14.363 -0.039) 14.530 20.356 ( -4.577 14.726 -0.651) 15.435 20.760 ( 1.587 -10.784 -0.055) 10.901 20.878 ( -3.477 -9.231 -0.311) 9.869 26.200 ( 0.778 1.667 -0.296) 1.863 26.222 ( 0.142 1.541 -0.082) 1.550 26.328 ( 0.677 -1.278 -0.259) 1.469 26.373 ( -0.992 -2.315 -0.118) 2.522 34.085 ( 3.847 1.639 4.998) 6.517 34.102 ( 3.782 1.291 0.094) 3.997 34.579 ( 0.424 2.856 2.483) 3.809 34.786 ( -8.260 -6.030 -6.798) 12.280 37.103 ( 8.926 10.584 0.214) 13.847 37.215 ( 3.791 9.162 0.363) 9.922 38.223 ( 16.755 -12.033 0.413) 20.633 38.448 ( 6.162 -18.338 -0.838) 19.364 ======================= Grid point 236 (84/120) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.657 -4.620 6.559) 8.049 1.410 ( 0.657 -4.620 6.559) 8.049 2.331 ( -4.272 -0.302 -1.208) 4.450 2.331 ( 4.272 -0.302 -1.208) 4.450 2.624 ( -1.721 3.296 3.091) 4.836 2.624 ( 1.721 3.296 3.091) 4.836 2.982 ( -7.916 3.805 -4.346) 9.799 2.982 ( 7.916 3.805 -4.346) 9.799 3.448 ( -8.387 1.389 7.112) 11.084 3.448 ( 8.387 1.389 7.112) 11.084 3.546 ( -12.376 0.296 3.777) 12.943 3.546 ( 12.376 0.296 3.777) 12.943 3.701 ( -5.467 -5.870 0.707) 8.053 3.701 ( 5.467 -5.870 0.707) 8.053 4.021 ( -4.510 8.156 -8.519) 12.627 4.021 ( 4.510 8.156 -8.519) 12.627 4.411 ( -3.655 -7.177 -5.372) 9.682 4.411 ( 3.655 -7.177 -5.372) 9.682 5.609 ( -7.808 15.445 0.276) 17.308 5.609 ( 7.808 15.445 0.276) 17.308 6.171 ( -2.590 -3.831 -1.084) 4.750 6.171 ( 2.590 -3.831 -1.084) 4.750 6.521 ( -7.553 -1.566 -0.117) 7.714 6.521 ( 7.553 -1.566 -0.117) 7.714 7.157 ( -2.612 23.826 4.209) 24.336 7.157 ( 2.612 23.826 4.209) 24.336 7.387 ( -2.962 -2.648 1.065) 4.113 7.387 ( 2.962 -2.648 1.065) 4.113 8.117 ( -5.204 -3.631 0.980) 6.421 8.117 ( 5.204 -3.632 0.980) 6.421 8.799 ( -2.916 -16.502 0.718) 16.773 8.799 ( 2.916 -16.502 0.718) 16.773 9.521 ( -2.067 4.228 0.069) 4.707 9.521 ( 2.067 4.228 0.069) 4.707 9.702 ( -2.781 1.377 -0.540) 3.150 9.702 ( 2.781 1.377 -0.540) 3.150 9.924 ( -0.531 -6.618 0.727) 6.679 9.924 ( 0.531 -6.618 0.727) 6.679 10.285 ( -3.340 2.468 -2.459) 4.826 10.285 ( 3.340 2.468 -2.459) 4.826 11.325 ( -2.589 -3.096 1.987) 4.498 11.325 ( 2.589 -3.096 1.987) 4.498 16.098 ( -0.463 -0.104 -1.259) 1.346 16.098 ( 0.463 -0.104 -1.259) 1.346 16.278 ( -0.603 0.016 -0.580) 0.836 16.278 ( 0.603 0.016 -0.580) 0.836 17.290 ( -0.925 -0.065 0.714) 1.170 17.290 ( 0.925 -0.065 0.714) 1.170 17.740 ( -0.761 0.590 -0.219) 0.987 17.740 ( 0.761 0.590 -0.219) 0.987 20.268 ( -3.689 14.496 -0.209) 14.960 20.268 ( 3.689 14.496 -0.209) 14.960 20.809 ( -2.943 -10.116 -0.135) 10.537 20.809 ( 2.943 -10.116 -0.135) 10.537 26.216 ( -0.613 1.795 -0.170) 1.905 26.216 ( 0.613 1.795 -0.170) 1.905 26.349 ( -1.215 -1.939 -0.173) 2.295 26.349 ( 1.215 -1.939 -0.173) 2.295 34.137 ( -0.730 1.803 1.683) 2.572 34.137 ( 0.730 1.803 1.683) 2.572 34.640 ( -5.352 -1.778 -1.649) 5.876 34.640 ( 5.352 -1.778 -1.649) 5.876 37.227 ( -2.756 10.609 0.266) 10.965 37.227 ( 2.756 10.609 0.266) 10.965 38.457 ( -5.420 -15.196 -0.111) 16.134 38.457 ( 5.420 -15.196 -0.111) 16.134 ======================= Grid point 242 (85/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 -0.815 4.082) 4.162 1.518 ( 0.000 0.815 4.082) 4.162 2.164 ( 0.000 -16.314 6.633) 17.611 2.164 ( 0.000 16.314 6.633) 17.611 2.498 ( 0.000 -10.966 -9.285) 14.369 2.498 ( 0.000 10.966 -9.285) 14.369 2.635 ( 0.000 -5.333 14.642) 15.583 2.635 ( 0.000 5.333 14.642) 15.583 3.073 ( 0.000 -2.295 0.889) 2.461 3.073 ( 0.000 2.295 0.889) 2.461 3.165 ( 0.000 -5.515 -3.404) 6.481 3.165 ( 0.000 5.515 -3.404) 6.481 3.517 ( 0.000 -2.014 1.019) 2.257 3.517 ( 0.000 2.014 1.019) 2.257 4.130 ( 0.000 -20.643 9.176) 22.591 4.130 ( 0.000 20.643 9.176) 22.591 4.847 ( 0.000 -2.019 -13.203) 13.356 4.847 ( 0.000 2.019 -13.203) 13.356 5.857 ( 0.000 -6.139 6.551) 8.978 5.857 ( 0.000 6.139 6.551) 8.978 6.445 ( 0.000 -6.701 16.017) 17.363 6.445 ( 0.000 6.701 16.017) 17.363 6.885 ( 0.000 -4.626 1.503) 4.864 6.885 ( 0.000 4.626 1.503) 4.864 7.210 ( 0.000 -5.593 -2.960) 6.328 7.210 ( 0.000 5.593 -2.960) 6.328 7.291 ( 0.000 -9.285 -10.049) 13.682 7.291 ( 0.000 9.285 -10.049) 13.682 8.084 ( 0.000 -1.353 0.611) 1.484 8.084 ( 0.000 1.353 0.611) 1.484 8.763 ( 0.000 -14.895 3.533) 15.308 8.763 ( 0.000 14.895 3.533) 15.308 8.987 ( 0.000 -1.557 -3.849) 4.152 8.987 ( 0.000 1.557 -3.849) 4.152 9.474 ( 0.000 -3.964 0.188) 3.969 9.474 ( 0.000 3.964 0.188) 3.969 9.710 ( 0.000 -5.760 -7.694) 9.612 9.710 ( 0.000 5.760 -7.694) 9.612 10.388 ( 0.000 -2.824 1.106) 3.033 10.388 ( 0.000 2.824 1.106) 3.033 11.495 ( 0.000 -9.627 0.470) 9.639 11.495 ( 0.000 9.627 0.470) 9.639 15.959 ( 0.000 -2.385 3.816) 4.500 15.959 ( 0.000 2.385 3.816) 4.500 16.223 ( 0.000 -1.788 -3.508) 3.938 16.223 ( 0.000 1.788 -3.508) 3.938 17.814 ( 0.000 -0.543 -0.064) 0.547 17.814 ( 0.000 0.543 -0.064) 0.547 17.979 ( 0.000 -0.270 -0.060) 0.276 17.979 ( 0.000 0.270 -0.060) 0.276 20.635 ( 0.000 -13.536 1.889) 13.667 20.635 ( 0.000 13.536 1.889) 13.667 20.794 ( 0.000 -9.158 -5.770) 10.824 20.794 ( 0.000 9.158 -5.770) 10.824 26.162 ( 0.000 -0.863 -0.871) 1.226 26.162 ( 0.000 0.863 -0.871) 1.226 26.348 ( 0.000 -0.342 -0.144) 0.371 26.348 ( 0.000 0.342 -0.144) 0.371 33.871 ( 0.000 -7.009 14.019) 15.674 33.871 ( 0.000 7.009 14.019) 15.674 35.030 ( 0.000 -16.138 -6.880) 17.543 35.030 ( 0.000 16.138 -6.880) 17.543 36.414 ( 0.000 -2.613 6.028) 6.569 36.414 ( 0.000 2.613 6.028) 6.569 36.698 ( 0.000 -5.295 -6.193) 8.148 36.698 ( 0.000 5.295 -6.193) 8.148 ======================= Grid point 244 (86/120) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -0.857 -0.901 3.300) 3.527 1.510 ( -0.857 0.901 3.300) 3.527 2.189 ( 2.243 -15.629 5.950) 16.873 2.189 ( 2.243 15.629 5.950) 16.873 2.490 ( -0.857 -10.868 -8.415) 13.771 2.490 ( -0.857 10.868 -8.415) 13.771 2.652 ( 1.926 -5.353 14.325) 15.413 2.652 ( 1.926 5.353 14.325) 15.413 3.105 ( 2.673 -2.987 0.687) 4.067 3.105 ( 2.673 2.987 0.687) 4.067 3.184 ( 2.202 -7.946 -2.572) 8.638 3.184 ( 2.202 7.946 -2.572) 8.638 3.558 ( 3.683 -2.704 1.123) 4.705 3.558 ( 3.683 2.704 1.123) 4.705 4.149 ( 1.677 -18.898 7.979) 20.582 4.149 ( 1.677 18.898 7.979) 20.582 4.760 ( -7.181 -1.660 -13.363) 15.261 4.760 ( -7.181 1.660 -13.363) 15.261 5.875 ( 1.585 -6.354 6.398) 9.155 5.875 ( 1.585 6.354 6.398) 9.155 6.397 ( -3.644 -5.796 13.588) 15.216 6.397 ( -3.644 5.796 13.588) 15.216 6.958 ( 1.787 -5.312 -2.858) 6.291 6.958 ( 1.787 5.312 -2.858) 6.291 7.213 ( 2.606 -8.183 -6.435) 10.732 7.213 ( 2.606 8.183 -6.435) 10.732 7.504 ( 18.503 -10.952 -0.835) 21.517 7.504 ( 18.503 10.952 -0.835) 21.517 8.016 ( -5.604 -1.540 1.537) 6.012 8.016 ( -5.604 1.540 1.537) 6.012 8.703 ( -4.275 -17.976 2.915) 18.706 8.703 ( -4.275 17.976 2.915) 18.706 9.052 ( 3.159 -3.406 -0.492) 4.671 9.052 ( 3.159 3.406 -0.492) 4.671 9.293 ( -9.329 -2.463 -8.342) 12.755 9.293 ( -9.329 2.463 -8.342) 12.755 9.839 ( 6.572 -4.760 -0.691) 8.145 9.839 ( 6.572 4.760 -0.691) 8.145 10.345 ( -3.527 -2.520 -0.471) 4.361 10.345 ( -3.527 2.520 -0.471) 4.361 11.476 ( -1.855 -8.948 1.054) 9.199 11.476 ( -1.855 8.948 1.054) 9.199 15.969 ( 1.020 -2.184 2.848) 3.731 15.969 ( 1.020 2.184 2.848) 3.731 16.242 ( 1.628 -1.581 -2.608) 3.457 16.242 ( 1.628 1.581 -2.608) 3.457 17.706 ( -8.110 -3.498 -0.109) 8.833 17.706 ( -8.110 3.498 -0.109) 8.833 17.994 ( -0.216 -2.486 -0.100) 2.497 17.994 ( -0.216 2.486 -0.100) 2.497 20.581 ( -3.861 -13.723 0.495) 14.264 20.581 ( -3.861 13.723 0.495) 14.264 20.813 ( 0.758 -9.864 -3.801) 10.598 20.813 ( 0.758 9.864 -3.801) 10.598 26.173 ( 0.931 -0.704 -0.835) 1.435 26.173 ( 0.931 0.704 -0.835) 1.435 26.343 ( -0.333 -0.858 -0.085) 0.924 26.343 ( -0.333 0.858 -0.085) 0.924 33.882 ( 1.232 -5.878 12.909) 14.237 33.882 ( 1.232 5.878 12.909) 14.237 34.987 ( -3.902 -15.403 -6.967) 17.350 34.987 ( -3.902 15.403 -6.967) 17.350 36.479 ( 7.904 -3.839 2.205) 9.059 36.479 ( 7.904 3.839 2.205) 9.059 36.931 ( 19.010 -10.703 -2.369) 21.944 36.931 ( 19.010 10.703 -2.369) 21.944 ======================= Grid point 246 (87/120) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -2.050 -1.179 2.315) 3.310 1.479 ( -2.050 1.179 2.315) 3.310 2.252 ( 3.668 -13.042 3.995) 14.125 2.252 ( 3.668 13.042 3.995) 14.125 2.464 ( -1.370 -9.217 -5.201) 10.671 2.464 ( -1.370 9.217 -5.201) 10.671 2.731 ( 5.884 -5.577 12.664) 15.036 2.731 ( 5.884 5.577 12.664) 15.036 3.143 ( 0.704 -3.520 -1.315) 3.823 3.143 ( 0.704 3.520 -1.315) 3.823 3.291 ( 7.745 -6.095 0.095) 9.856 3.291 ( 7.745 6.095 0.095) 9.856 3.658 ( 5.409 -3.719 1.349) 6.701 3.658 ( 5.409 3.719 1.349) 6.701 4.186 ( 1.364 -13.228 4.478) 14.032 4.186 ( 1.364 13.228 4.478) 14.032 4.593 ( -8.157 -3.004 -12.686) 15.379 4.593 ( -8.157 3.004 -12.686) 15.379 5.910 ( 1.044 -8.464 6.785) 10.898 5.910 ( 1.044 8.464 6.785) 10.898 6.321 ( -3.062 -6.496 9.986) 12.300 6.321 ( -3.062 6.496 9.986) 12.300 6.845 ( -10.796 -7.734 -11.510) 17.574 6.845 ( -10.796 7.734 -11.510) 17.574 7.348 ( 7.470 -2.922 1.065) 8.092 7.348 ( 7.470 2.922 1.065) 8.092 7.779 ( -2.625 -8.938 0.496) 9.329 7.779 ( -2.625 8.938 0.496) 9.329 8.022 ( 12.999 -11.741 2.956) 17.765 8.022 ( 13.000 11.741 2.956) 17.765 8.600 ( -6.403 -23.954 4.250) 25.157 8.600 ( -6.403 23.954 4.250) 25.157 9.022 ( 0.758 -11.676 -4.939) 12.700 9.022 ( 0.758 11.676 -4.939) 12.700 9.304 ( 7.221 -3.323 -5.528) 9.682 9.304 ( 7.221 3.323 -5.528) 9.682 9.908 ( -0.202 -4.166 3.142) 5.222 9.908 ( -0.202 4.166 3.142) 5.222 10.283 ( -1.454 -0.538 -3.263) 3.613 10.283 ( -1.454 0.538 -3.263) 3.613 11.421 ( -3.171 -7.347 2.013) 8.251 11.421 ( -3.171 7.347 2.013) 8.251 16.001 ( 1.988 -1.552 1.119) 2.759 16.001 ( 1.988 1.552 1.119) 2.759 16.277 ( 1.360 -1.186 -1.191) 2.163 16.277 ( 1.360 1.186 -1.191) 2.163 17.531 ( -7.900 -2.870 -0.100) 8.406 17.531 ( -7.900 2.870 -0.100) 8.406 17.950 ( -3.684 -1.094 -0.185) 3.847 17.950 ( -3.684 1.094 -0.185) 3.847 20.509 ( -2.571 -13.898 -0.084) 14.134 20.509 ( -2.571 13.898 -0.084) 14.134 20.801 ( -1.982 -10.798 -2.047) 11.168 20.801 ( -1.982 10.798 -2.047) 11.168 26.194 ( 0.950 -0.609 -0.660) 1.307 26.194 ( 0.950 0.609 -0.660) 1.307 26.338 ( -0.124 -1.628 -0.051) 1.634 26.338 ( -0.124 1.628 -0.051) 1.634 33.928 ( 3.206 -3.555 9.915) 11.010 33.928 ( 3.206 3.555 9.915) 11.010 34.884 ( -5.525 -12.751 -6.376) 15.290 34.884 ( -5.525 12.751 -6.376) 15.290 36.735 ( 15.220 -6.968 0.329) 16.742 36.735 ( 15.220 6.968 0.329) 16.742 37.386 ( 22.849 -14.721 -0.469) 27.185 37.386 ( 22.849 14.721 -0.469) 27.185 ======================= Grid point 248 (88/120) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.672 -1.083 3.324) 4.400 1.428 ( -2.672 1.083 3.324) 4.400 2.325 ( 2.176 -7.179 0.322) 7.508 2.325 ( 2.176 7.179 0.322) 7.508 2.463 ( 2.644 -4.145 -0.392) 4.932 2.463 ( 2.644 4.145 -0.392) 4.932 2.897 ( 9.501 -6.999 10.242) 15.625 2.897 ( 9.501 6.999 10.242) 15.625 3.150 ( 0.445 -4.982 -2.067) 5.412 3.150 ( 0.445 4.982 -2.067) 5.412 3.465 ( 7.819 -4.281 0.598) 8.935 3.465 ( 7.819 4.281 0.598) 8.935 3.756 ( 3.022 -3.281 1.804) 4.812 3.756 ( 3.022 3.281 1.804) 4.812 4.185 ( -1.584 -4.498 -0.584) 4.804 4.185 ( -1.584 4.498 -0.584) 4.804 4.437 ( -6.422 -4.670 -10.113) 12.858 4.437 ( -6.422 4.670 -10.113) 12.858 5.888 ( -3.065 -11.759 7.215) 14.132 5.888 ( -3.065 11.759 7.215) 14.132 6.288 ( -0.847 -4.665 4.954) 6.857 6.288 ( -0.847 4.665 4.954) 6.857 6.591 ( -11.262 -11.107 -10.372) 18.914 6.591 ( -11.262 11.107 -10.372) 18.914 7.430 ( -0.473 -1.476 0.508) 1.631 7.430 ( -0.473 1.476 0.508) 1.631 7.661 ( -5.765 -5.544 4.296) 9.079 7.661 ( -5.765 5.544 4.296) 9.079 8.201 ( 1.351 -14.495 1.499) 14.635 8.201 ( 1.351 14.495 1.499) 14.635 8.473 ( -2.688 -14.750 0.365) 14.997 8.473 ( -2.688 14.750 0.365) 14.997 9.231 ( 15.777 -5.398 -0.940) 16.701 9.231 ( 15.777 5.398 -0.940) 16.701 9.475 ( 8.432 -3.906 -3.410) 9.899 9.475 ( 8.432 3.906 -3.410) 9.899 9.864 ( -2.814 -2.505 2.269) 4.398 9.864 ( -2.814 2.505 2.269) 4.398 10.283 ( 0.861 -2.748 -3.093) 4.226 10.283 ( 0.861 2.748 -3.093) 4.226 11.355 ( -2.926 -5.233 2.411) 6.462 11.355 ( -2.926 5.233 2.411) 6.462 16.045 ( 2.054 -0.894 -0.322) 2.263 16.045 ( 2.054 0.894 -0.322) 2.263 16.293 ( 0.136 -0.871 -0.442) 0.986 16.293 ( 0.136 0.871 -0.442) 0.986 17.393 ( -5.200 -1.882 0.155) 5.533 17.393 ( -5.200 1.882 0.155) 5.533 17.859 ( -4.550 -0.608 -0.211) 4.595 17.859 ( -4.550 0.608 -0.211) 4.595 20.480 ( -0.217 -13.652 -0.101) 13.654 20.480 ( -0.217 13.652 -0.101) 13.654 20.737 ( -3.836 -11.703 -1.029) 12.359 20.737 ( -3.836 11.703 -1.029) 12.359 26.212 ( 0.825 -0.883 -0.378) 1.267 26.212 ( 0.825 0.883 -0.378) 1.267 26.336 ( -0.151 -1.948 -0.127) 1.958 26.336 ( -0.151 1.948 -0.127) 1.958 34.013 ( 4.706 -1.438 5.987) 7.750 34.013 ( 4.706 1.438 5.987) 7.750 34.767 ( -5.456 -9.242 -4.425) 11.609 34.767 ( -5.456 9.242 -4.425) 11.609 37.052 ( 13.897 -7.272 0.106) 15.685 37.052 ( 13.897 7.272 0.106) 15.685 37.835 ( 19.156 -12.927 -0.162) 23.110 37.835 ( 19.156 12.927 -0.162) 23.110 ======================= Grid point 250 (89/120) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -1.988 -0.625 5.749) 6.115 1.377 ( -1.988 0.625 5.749) 6.115 2.331 ( -0.561 -3.970 -0.883) 4.105 2.331 ( -0.561 3.970 -0.883) 4.105 2.581 ( 6.993 -1.774 1.297) 7.330 2.581 ( 6.993 1.774 1.297) 7.330 3.037 ( 1.133 -8.981 2.560) 9.407 3.037 ( 1.133 8.981 2.560) 9.407 3.240 ( 10.578 -3.666 3.832) 11.833 3.240 ( 10.578 3.666 3.832) 11.833 3.576 ( 2.187 -1.640 0.113) 2.736 3.576 ( 2.187 1.640 0.113) 2.736 3.741 ( -5.010 -0.194 2.376) 5.548 3.741 ( -5.010 0.194 2.376) 5.548 4.151 ( -0.521 -6.097 -7.087) 9.363 4.151 ( -0.521 6.097 -7.087) 9.363 4.331 ( -3.730 -5.429 -5.653) 8.680 4.331 ( -3.730 5.429 -5.653) 8.680 5.830 ( -1.306 -10.971 4.896) 12.085 5.830 ( -1.306 10.971 4.896) 12.085 6.185 ( -8.556 -4.132 -3.208) 10.029 6.185 ( -8.556 4.132 -3.208) 10.029 6.487 ( 0.724 -8.840 -1.749) 9.040 6.487 ( 0.724 8.840 -1.749) 9.040 7.369 ( -3.634 -3.892 0.274) 5.332 7.369 ( -3.634 3.892 0.274) 5.332 7.541 ( -5.434 -2.164 5.700) 8.167 7.541 ( -5.434 2.164 5.700) 8.167 8.171 ( -1.644 -9.811 0.961) 9.994 8.171 ( -1.644 9.811 0.961) 9.994 8.489 ( 2.054 -7.358 -0.518) 7.657 8.489 ( 2.054 7.358 -0.518) 7.657 9.513 ( 9.032 -2.952 1.052) 9.560 9.513 ( 9.032 2.952 1.052) 9.560 9.642 ( 6.796 -1.949 -2.500) 7.498 9.642 ( 6.795 1.949 -2.500) 7.498 9.822 ( -0.745 -0.687 1.009) 1.430 9.822 ( -0.745 0.687 1.009) 1.430 10.303 ( 0.877 -3.024 -2.328) 3.916 10.303 ( 0.877 3.024 -2.328) 3.916 11.307 ( -1.553 -2.724 2.304) 3.891 11.307 ( -1.553 2.724 2.304) 3.891 16.082 ( 1.374 -0.456 -1.227) 1.898 16.082 ( 1.374 0.456 -1.227) 1.898 16.286 ( -0.578 -0.557 -0.351) 0.876 16.286 ( -0.578 0.557 -0.351) 0.876 17.314 ( -2.408 -0.972 0.529) 2.650 17.314 ( -2.408 0.972 0.529) 2.650 17.778 ( -2.887 -0.631 -0.139) 2.958 17.778 ( -2.887 0.631 -0.139) 2.958 20.498 ( 1.762 -12.700 -0.107) 12.823 20.498 ( 1.762 12.700 -0.107) 12.823 20.652 ( -4.053 -11.820 -0.442) 12.503 20.652 ( -4.053 11.820 -0.442) 12.503 26.230 ( 0.794 -0.858 -0.160) 1.180 26.230 ( 0.794 0.858 -0.160) 1.180 26.330 ( -0.448 -1.491 -0.205) 1.570 26.330 ( -0.448 1.491 -0.205) 1.570 34.110 ( 4.042 -0.538 2.092) 4.583 34.110 ( 4.042 0.538 2.092) 4.583 34.665 ( -3.977 -5.240 -1.628) 6.777 34.665 ( -3.977 5.240 -1.628) 6.777 37.282 ( 7.654 -4.248 0.124) 8.755 37.282 ( 7.654 4.248 0.124) 8.755 38.155 ( 10.845 -7.066 -0.076) 12.944 38.155 ( 10.845 7.066 -0.076) 12.944 ======================= Grid point 252 (90/120) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 0.000 7.005) 7.005 1.355 ( 0.000 0.000 7.005) 7.005 2.324 ( 0.000 0.000 -0.551) 0.551 2.324 ( 0.000 0.000 -0.551) 0.551 2.674 ( 0.000 0.000 1.110) 1.110 2.674 ( 0.000 0.000 1.110) 1.110 3.026 ( 0.000 -0.000 -0.489) 0.489 3.026 ( 0.000 0.000 -0.489) 0.489 3.461 ( -0.000 0.000 12.504) 12.504 3.461 ( 0.000 0.000 12.503) 12.503 3.553 ( 0.000 -0.000 -3.739) 3.739 3.553 ( 0.000 0.000 -3.739) 3.739 3.624 ( 0.000 0.000 0.203) 0.203 3.624 ( 0.000 0.000 0.203) 0.203 4.159 ( 0.000 0.000 -14.381) 14.381 4.159 ( 0.000 0.000 -14.381) 14.381 4.287 ( 0.000 -0.000 0.630) 0.630 4.287 ( 0.000 0.000 0.630) 0.630 5.831 ( 0.000 -0.000 3.509) 3.509 5.831 ( 0.000 -0.000 3.509) 3.509 6.066 ( 0.000 0.000 -4.466) 4.466 6.066 ( 0.000 0.000 -4.466) 4.466 6.508 ( 0.000 0.000 0.151) 0.151 6.508 ( 0.000 0.000 0.151) 0.151 7.325 ( 0.000 0.000 0.479) 0.479 7.325 ( 0.000 0.000 0.479) 0.479 7.475 ( 0.000 0.000 6.091) 6.091 7.475 ( 0.000 0.000 6.091) 6.091 8.155 ( 0.000 -0.000 0.281) 0.281 8.155 ( 0.000 -0.000 0.281) 0.281 8.514 ( 0.000 0.000 -0.112) 0.112 8.514 ( 0.000 0.000 -0.112) 0.112 9.604 ( 0.000 -0.000 0.798) 0.798 9.604 ( 0.000 0.000 0.798) 0.798 9.711 ( 0.000 0.000 -1.037) 1.037 9.711 ( 0.000 0.000 -1.037) 1.037 9.827 ( 0.000 0.000 0.107) 0.107 9.827 ( 0.000 0.000 0.107) 0.107 10.314 ( 0.000 0.000 -2.052) 2.052 10.314 ( 0.000 0.000 -2.052) 2.052 11.291 ( 0.000 0.000 2.190) 2.190 11.291 ( 0.000 0.000 2.190) 2.190 16.097 ( 0.000 0.000 -1.526) 1.526 16.097 ( 0.000 0.000 -1.526) 1.526 16.278 ( 0.000 0.000 -0.419) 0.419 16.278 ( 0.000 0.000 -0.419) 0.419 17.290 ( 0.000 0.000 0.699) 0.699 17.290 ( 0.000 0.000 0.699) 0.699 17.747 ( 0.000 0.000 -0.082) 0.082 17.747 ( 0.000 0.000 -0.082) 0.082 20.533 ( -0.000 -0.000 -0.266) 0.266 20.533 ( 0.000 0.000 -0.266) 0.266 20.592 ( 0.000 -0.000 -0.100) 0.100 20.592 ( 0.000 0.000 -0.100) 0.100 26.240 ( 0.000 -0.000 -0.072) 0.072 26.240 ( 0.000 0.000 -0.072) 0.072 26.323 ( 0.000 0.000 -0.245) 0.245 26.323 ( 0.000 0.000 -0.245) 0.245 34.157 ( 0.000 0.000 0.048) 0.048 34.157 ( 0.000 0.000 0.048) 0.048 34.619 ( 0.000 0.000 0.080) 0.080 34.619 ( 0.000 0.000 0.080) 0.080 37.363 ( 0.000 0.000 0.118) 0.118 37.363 ( 0.000 0.000 0.118) 0.118 38.270 ( 0.000 0.000 -0.024) 0.024 38.270 ( 0.000 0.000 -0.024) 0.024 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 0.000 -21.586) 21.586 1.168 ( 0.000 0.000 21.586) 21.586 1.397 ( 0.000 0.000 -23.015) 23.015 1.397 ( 0.000 0.000 23.015) 23.015 2.108 ( 0.000 0.000 -2.728) 2.728 2.108 ( 0.000 0.000 2.728) 2.728 2.971 ( 0.000 0.000 -1.880) 1.880 2.971 ( 0.000 0.000 1.880) 1.880 3.020 ( 0.000 0.000 -3.685) 3.685 3.020 ( 0.000 0.000 3.685) 3.685 3.381 ( 0.000 0.000 -8.038) 8.038 3.381 ( 0.000 0.000 8.038) 8.038 3.420 ( 0.000 0.000 -18.752) 18.752 3.420 ( 0.000 0.000 18.752) 18.752 4.109 ( 0.000 0.000 -15.339) 15.339 4.109 ( 0.000 0.000 15.339) 15.339 4.684 ( 0.000 0.000 -5.403) 5.403 4.684 ( 0.000 0.000 5.403) 5.403 5.811 ( 0.000 0.000 -22.457) 22.457 5.811 ( 0.000 0.000 22.457) 22.457 6.483 ( 0.000 0.000 -6.106) 6.106 6.483 ( 0.000 0.000 6.106) 6.106 6.969 ( 0.000 0.000 -0.115) 0.115 6.969 ( 0.000 0.000 0.115) 0.115 7.248 ( 0.000 0.000 -4.915) 4.915 7.248 ( 0.000 0.000 4.915) 4.915 7.643 ( 0.000 0.000 -4.363) 4.363 7.643 ( 0.000 0.000 4.363) 4.363 8.014 ( 0.000 0.000 -7.009) 7.009 8.014 ( 0.000 0.000 7.009) 7.009 8.193 ( 0.000 0.000 -9.548) 9.548 8.193 ( 0.000 0.000 9.548) 9.548 8.911 ( 0.000 0.000 -11.898) 11.898 8.911 ( 0.000 0.000 11.898) 11.898 9.414 ( 0.000 0.000 -12.407) 12.407 9.414 ( 0.000 0.000 12.407) 12.407 10.004 ( 0.000 0.000 -6.746) 6.746 10.004 ( 0.000 0.000 6.746) 6.746 10.165 ( 0.000 0.000 -3.105) 3.105 10.165 ( 0.000 0.000 3.105) 3.105 11.758 ( 0.000 0.000 -20.806) 20.806 11.758 ( 0.000 0.000 20.806) 20.806 15.908 ( 0.000 0.000 -6.750) 6.750 15.908 ( 0.000 0.000 6.750) 6.750 16.250 ( 0.000 0.000 -5.484) 5.484 16.250 ( 0.000 0.000 5.484) 5.484 17.462 ( 0.000 0.000 -0.612) 0.612 17.462 ( 0.000 0.000 0.612) 0.612 18.164 ( 0.000 0.000 -0.670) 0.670 18.164 ( 0.000 0.000 0.670) 0.670 19.654 ( 0.000 0.000 -0.146) 0.146 19.654 ( 0.000 0.000 0.146) 0.146 21.187 ( 0.000 0.000 -0.123) 0.123 21.187 ( 0.000 0.000 0.123) 0.123 26.081 ( 0.000 0.000 -1.144) 1.144 26.081 ( 0.000 0.000 1.144) 1.144 26.465 ( 0.000 0.000 -0.338) 0.338 26.465 ( 0.000 0.000 0.338) 0.338 33.602 ( 0.000 0.000 -6.042) 6.042 33.602 ( 0.000 0.000 6.042) 6.042 36.353 ( 0.000 0.000 -5.478) 5.478 36.353 ( 0.000 0.000 5.478) 5.478 36.634 ( 0.000 0.000 -8.750) 8.750 36.634 ( 0.000 0.000 8.750) 8.750 36.696 ( 0.000 0.000 -0.918) 0.918 36.696 ( 0.000 0.000 0.918) 0.918 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 9.598 0.000 -18.410) 20.761 1.280 ( 9.598 0.000 18.410) 20.761 1.536 ( 9.738 0.000 -16.732) 19.359 1.536 ( 9.738 0.000 16.732) 19.359 2.161 ( 5.794 0.000 -1.535) 5.994 2.161 ( 5.794 0.000 1.535) 5.994 2.996 ( 2.032 0.000 -2.761) 3.429 2.996 ( 2.032 0.000 2.761) 3.429 3.019 ( 0.341 0.000 -5.503) 5.513 3.019 ( 0.341 0.000 5.503) 5.513 3.369 ( -1.069 0.000 -6.167) 6.259 3.369 ( -1.069 0.000 6.167) 6.259 3.478 ( 5.176 0.000 -15.592) 16.429 3.478 ( 5.176 0.000 15.592) 16.429 4.120 ( 1.200 0.000 -18.209) 18.248 4.120 ( 1.200 0.000 18.209) 18.248 4.644 ( -4.185 0.000 -4.888) 6.434 4.644 ( -4.185 0.000 4.888) 6.434 5.717 ( -7.468 0.000 -20.730) 22.034 5.717 ( -7.468 0.000 20.730) 22.034 6.428 ( -6.731 0.000 -3.889) 7.774 6.428 ( -6.731 0.000 3.889) 7.774 6.997 ( 4.260 0.000 -0.090) 4.260 6.997 ( 4.260 0.000 0.090) 4.260 7.165 ( -7.708 0.000 -3.789) 8.589 7.165 ( -7.708 0.000 3.789) 8.589 7.635 ( -8.751 0.000 -10.928) 14.000 7.635 ( -8.751 0.000 10.928) 14.000 7.868 ( 2.250 0.000 -2.897) 3.668 7.868 ( 2.250 0.000 2.897) 3.668 8.316 ( 6.190 0.000 -8.986) 10.912 8.316 ( 6.190 0.000 8.986) 10.912 9.117 ( 14.996 0.000 -17.910) 23.359 9.117 ( 14.996 0.000 17.910) 23.359 9.424 ( 0.968 0.000 -10.325) 10.370 9.424 ( 0.968 0.000 10.325) 10.370 9.905 ( -5.695 0.000 -4.448) 7.226 9.905 ( -5.695 0.000 4.448) 7.226 10.259 ( 5.608 0.000 -0.458) 5.627 10.259 ( 5.608 0.000 0.458) 5.627 11.741 ( -1.601 0.000 -19.827) 19.891 11.741 ( -1.601 0.000 19.827) 19.891 15.963 ( 4.469 0.000 -6.452) 7.849 15.963 ( 4.469 0.000 6.452) 7.849 16.258 ( 0.675 0.000 -5.097) 5.141 16.258 ( 0.675 0.000 5.097) 5.141 17.454 ( -0.797 0.000 -0.070) 0.800 17.454 ( -0.797 0.000 0.070) 0.800 18.050 ( -9.291 0.000 -0.581) 9.309 18.050 ( -9.291 0.000 0.581) 9.309 19.665 ( 0.809 0.000 -0.119) 0.817 19.665 ( 0.809 0.000 0.119) 0.817 21.181 ( -0.544 0.000 -0.039) 0.545 21.181 ( -0.544 0.000 0.039) 0.545 26.091 ( 0.853 0.000 -0.844) 1.200 26.091 ( 0.853 0.000 0.844) 1.200 26.463 ( -0.176 0.000 -0.146) 0.228 26.463 ( -0.176 0.000 0.146) 0.228 33.643 ( 3.791 0.000 -5.191) 6.428 33.643 ( 3.791 0.000 5.191) 6.428 35.847 ( -32.845 0.000 -22.873) 40.025 35.847 ( -32.845 0.000 22.873) 40.025 36.395 ( 3.731 0.000 -4.796) 6.077 36.395 ( 3.731 0.000 4.796) 6.077 37.582 ( 41.389 0.000 -14.406) 43.824 37.582 ( 41.389 0.000 14.406) 43.824 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 12.009 0.000 -9.199) 15.128 1.521 ( 12.009 0.000 9.199) 15.128 1.680 ( 4.334 0.000 -3.955) 5.868 1.680 ( 4.334 0.000 3.955) 5.868 2.343 ( 10.080 0.000 -0.313) 10.085 2.343 ( 10.080 0.000 0.313) 10.085 2.997 ( -0.961 0.000 -0.059) 0.963 2.997 ( -0.961 0.000 0.059) 0.963 3.091 ( 5.240 0.000 -4.169) 6.696 3.091 ( 5.240 0.000 4.169) 6.696 3.339 ( -1.699 0.000 -1.605) 2.337 3.339 ( -1.699 0.000 1.605) 2.337 3.614 ( 6.898 0.000 -2.780) 7.437 3.614 ( 6.898 0.000 2.780) 7.437 4.179 ( 5.213 0.000 -26.021) 26.538 4.179 ( 5.213 0.000 26.021) 26.538 4.501 ( -9.239 0.000 -4.209) 10.153 4.501 ( -9.239 0.000 4.209) 10.153 5.550 ( -8.545 0.000 -16.717) 18.774 5.550 ( -8.545 0.000 16.717) 18.774 6.180 ( -15.829 0.000 -2.501) 16.026 6.180 ( -15.829 0.000 2.501) 16.026 6.946 ( -12.514 0.000 -1.612) 12.618 6.946 ( -12.514 0.000 1.612) 12.618 7.162 ( 8.781 0.000 -1.337) 8.882 7.162 ( 8.781 0.000 1.337) 8.882 7.356 ( -12.071 0.000 -14.593) 18.938 7.356 ( -12.071 0.000 14.593) 18.938 8.108 ( 15.807 0.000 -0.103) 15.807 8.108 ( 15.807 0.000 0.103) 15.807 8.431 ( 5.343 0.000 -5.607) 7.745 8.431 ( 5.343 0.000 5.607) 7.745 9.393 ( 9.658 0.000 -15.407) 18.184 9.393 ( 9.658 0.000 15.407) 18.184 9.462 ( 3.476 0.000 -6.427) 7.307 9.462 ( 3.476 0.000 6.427) 7.307 9.828 ( -1.557 0.000 -1.485) 2.152 9.828 ( -1.557 0.000 1.485) 2.152 10.352 ( 2.964 0.000 -0.092) 2.965 10.352 ( 2.964 0.000 0.092) 2.965 11.692 ( -3.038 0.000 -16.842) 17.114 11.692 ( -3.038 0.000 16.842) 17.114 16.054 ( 3.601 0.000 -4.705) 5.925 16.054 ( 3.601 0.000 4.705) 5.925 16.273 ( 0.545 0.000 -3.850) 3.889 16.273 ( 0.545 0.000 3.850) 3.889 17.424 ( -2.166 0.000 -0.027) 2.166 17.424 ( -2.166 0.000 0.027) 2.166 17.856 ( -7.885 0.000 -0.610) 7.908 17.856 ( -7.885 0.000 0.610) 7.908 19.676 ( 0.092 0.000 -0.189) 0.210 19.676 ( 0.092 0.000 0.189) 0.210 21.166 ( -0.838 0.000 -0.057) 0.840 21.166 ( -0.838 0.000 0.057) 0.840 26.110 ( 0.828 0.000 -0.174) 0.846 26.110 ( 0.828 0.000 0.174) 0.846 26.458 ( -0.324 0.000 -0.048) 0.328 26.458 ( -0.324 0.000 0.048) 0.328 33.754 ( 6.608 0.000 -2.801) 7.178 33.754 ( 6.608 0.000 2.801) 7.178 35.294 ( -20.795 0.000 -28.133) 34.984 35.294 ( -20.795 0.000 28.133) 34.984 36.502 ( 6.137 0.000 -3.425) 7.029 36.502 ( 6.137 0.000 3.425) 7.029 38.331 ( 29.828 0.000 -20.979) 36.467 38.331 ( 29.828 0.000 20.979) 36.467 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.150 0.000 -3.463) 3.466 1.642 ( -0.150 0.000 3.463) 3.466 1.857 ( 12.442 0.000 -7.148) 14.349 1.857 ( 12.442 0.000 7.148) 14.349 2.534 ( 7.671 0.000 -0.228) 7.675 2.534 ( 7.671 0.000 0.228) 7.675 2.989 ( 1.049 0.000 -1.999) 2.258 2.989 ( 1.049 0.000 1.999) 2.258 3.178 ( 1.137 0.000 -5.926) 6.034 3.178 ( 1.137 0.000 5.926) 6.034 3.323 ( 1.856 0.000 -0.156) 1.863 3.323 ( 1.856 0.000 0.156) 1.863 3.721 ( 2.858 0.000 -7.673) 8.188 3.721 ( 2.858 0.000 7.673) 8.188 4.277 ( -9.593 0.000 -3.584) 10.240 4.277 ( -9.593 0.000 3.584) 10.240 4.359 ( 9.150 0.000 -25.971) 27.536 4.359 ( 9.150 0.000 25.971) 27.536 5.332 ( -12.488 0.000 -12.002) 17.320 5.332 ( -12.488 0.000 12.002) 17.320 5.837 ( -15.664 0.000 -2.280) 15.829 5.837 ( -15.664 0.000 2.280) 15.829 6.675 ( -12.531 0.000 -0.270) 12.534 6.675 ( -12.531 0.000 0.270) 12.534 7.056 ( -10.000 0.000 -8.904) 13.390 7.056 ( -10.000 0.000 8.904) 13.390 7.418 ( 8.219 0.000 -0.377) 8.227 7.418 ( 8.219 0.000 0.377) 8.227 8.434 ( 13.365 0.000 -0.085) 13.365 8.434 ( 13.365 0.000 0.085) 13.365 8.583 ( 10.631 0.000 -1.430) 10.727 8.583 ( 10.631 0.000 1.430) 10.727 9.485 ( 2.148 0.000 -4.776) 5.237 9.485 ( 2.148 0.000 4.776) 5.237 9.608 ( 7.319 0.000 -4.479) 8.581 9.608 ( 7.319 0.000 4.479) 8.581 9.821 ( 0.690 0.000 -1.315) 1.485 9.821 ( 0.690 0.000 1.315) 1.485 10.379 ( -0.377 0.000 -0.173) 0.415 10.379 ( -0.377 0.000 0.173) 0.415 11.619 ( -3.662 0.000 -12.211) 12.748 11.619 ( -3.662 0.000 12.211) 12.748 16.104 ( 1.246 0.000 -2.384) 2.690 16.104 ( 1.246 0.000 2.384) 2.690 16.274 ( -0.393 0.000 -2.090) 2.127 16.274 ( -0.393 0.000 2.090) 2.127 17.371 ( -2.486 0.000 -0.069) 2.487 17.371 ( -2.486 0.000 0.069) 2.487 17.741 ( -3.377 0.000 -3.315) 4.733 17.741 ( -3.377 0.000 3.315) 4.733 19.671 ( -0.451 0.000 -0.137) 0.472 19.671 ( -0.451 0.000 0.137) 0.472 21.148 ( -0.804 0.000 -0.074) 0.807 21.148 ( -0.804 0.000 0.074) 0.807 26.123 ( 0.457 0.000 -0.189) 0.495 26.123 ( 0.457 0.000 0.189) 0.495 26.450 ( -0.373 0.000 -0.011) 0.373 26.450 ( -0.373 0.000 0.011) 0.373 33.907 ( 7.715 0.000 -0.268) 7.720 33.907 ( 7.715 0.000 0.268) 7.720 34.945 ( -13.200 0.000 -23.853) 27.262 34.945 ( -13.200 0.000 23.853) 27.262 36.635 ( 6.180 0.000 -2.038) 6.508 36.635 ( 6.180 0.000 2.038) 6.508 38.833 ( 18.506 0.000 -16.502) 24.795 38.833 ( 18.506 0.000 16.502) 24.795 ======================= Grid point 305 (95/120) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.623 0.000 -1.671) 2.330 1.615 ( -1.623 0.000 1.671) 2.330 2.101 ( 9.857 0.000 -3.315) 10.400 2.101 ( 9.857 0.000 3.315) 10.400 2.633 ( 1.476 0.000 -0.283) 1.502 2.633 ( 1.476 0.000 0.283) 1.502 3.071 ( 6.000 0.000 -0.374) 6.012 3.071 ( 6.000 0.000 0.374) 6.012 3.137 ( -2.747 0.000 -0.158) 2.752 3.137 ( -2.747 0.000 0.158) 2.752 3.425 ( 6.293 0.000 -4.939) 8.000 3.425 ( 6.293 0.000 4.939) 8.000 3.741 ( -0.626 0.000 -8.179) 8.203 3.741 ( -0.626 0.000 8.179) 8.203 4.056 ( -10.234 0.000 -2.160) 10.459 4.056 ( -10.234 0.000 2.160) 10.459 4.555 ( 7.360 0.000 -14.010) 15.825 4.555 ( 7.360 0.000 14.010) 15.825 5.077 ( -9.895 0.000 -5.686) 11.413 5.077 ( -9.895 0.000 5.686) 11.413 5.555 ( -10.722 0.000 -2.267) 10.959 5.555 ( -10.722 0.000 2.267) 10.959 6.457 ( -7.706 0.000 -0.140) 7.707 6.457 ( -7.706 0.000 0.140) 7.707 6.902 ( -4.691 0.000 -5.399) 7.153 6.902 ( -4.691 0.000 5.399) 7.153 7.533 ( 2.920 0.000 -0.781) 3.022 7.533 ( 2.920 0.000 0.781) 3.022 8.657 ( 8.668 0.000 -0.887) 8.714 8.657 ( 8.668 0.000 0.887) 8.714 8.835 ( 10.907 0.000 -0.563) 10.922 8.835 ( 10.907 0.000 0.563) 10.922 9.504 ( -0.755 0.000 -5.850) 5.899 9.504 ( -0.755 0.000 5.850) 5.899 9.677 ( -0.529 0.000 -3.293) 3.335 9.677 ( -0.529 0.000 3.293) 3.335 9.905 ( 7.310 0.000 -5.229) 8.988 9.905 ( 7.310 0.000 5.229) 8.988 10.338 ( -3.339 0.000 -0.732) 3.418 10.338 ( -3.339 0.000 0.732) 3.418 11.551 ( -2.553 0.000 -6.460) 6.946 11.551 ( -2.553 0.000 6.460) 6.946 16.115 ( 0.027 0.000 -0.753) 0.753 16.115 ( 0.027 0.000 0.753) 0.753 16.263 ( -0.547 0.000 -0.857) 1.017 16.263 ( -0.547 0.000 0.857) 1.017 17.330 ( -1.319 0.000 -0.055) 1.320 17.330 ( -1.319 0.000 0.055) 1.320 17.697 ( -1.123 0.000 -2.758) 2.978 17.697 ( -1.123 0.000 2.758) 2.978 19.661 ( -0.396 0.000 -0.064) 0.401 19.661 ( -0.396 0.000 0.064) 0.401 21.134 ( -0.483 0.000 -0.055) 0.486 21.134 ( -0.483 0.000 0.055) 0.486 26.130 ( 0.162 0.000 -0.231) 0.282 26.130 ( 0.162 0.000 0.231) 0.282 26.443 ( -0.254 0.000 -0.002) 0.254 26.443 ( -0.254 0.000 0.002) 0.254 34.059 ( 6.230 0.000 -2.693) 6.787 34.059 ( 6.230 0.000 2.693) 6.787 34.726 ( -7.786 0.000 -14.923) 16.832 34.726 ( -7.786 0.000 14.923) 16.832 36.743 ( 3.825 0.000 -0.923) 3.935 36.743 ( 3.825 0.000 0.923) 3.935 39.117 ( 8.877 0.000 -8.537) 12.316 39.117 ( 8.877 0.000 8.537) 12.316 ======================= Grid point 307 (96/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.087 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 -0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 -0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 -0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 -0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 7.560 ( 0.000 0.000 -0.000) 0.000 7.560 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.281 ( -0.000 0.000 -0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 -0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 -0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 17.317 ( 0.000 0.000 0.000) 0.000 17.317 ( 0.000 0.000 0.000) 0.000 17.686 ( 0.000 0.000 0.000) 0.000 17.686 ( 0.000 0.000 0.000) 0.000 19.657 ( 0.000 0.000 0.000) 0.000 19.657 ( 0.000 0.000 0.000) 0.000 21.129 ( 0.000 0.000 0.000) 0.000 21.129 ( 0.000 0.000 0.000) 0.000 26.131 ( 0.000 0.000 0.000) 0.000 26.131 ( 0.000 0.000 0.000) 0.000 26.440 ( 0.000 0.000 0.000) 0.000 26.440 ( 0.000 0.000 0.000) 0.000 34.133 ( 0.000 0.000 -0.000) 0.000 34.133 ( 0.000 0.000 0.000) 0.000 34.638 ( 0.000 0.000 0.000) 0.000 34.638 ( 0.000 0.000 0.000) 0.000 36.784 ( 0.000 0.000 -0.000) 0.000 36.784 ( 0.000 0.000 0.000) 0.000 39.209 ( 0.000 0.000 0.000) 0.000 39.209 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 319 (97/120) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 14.579 -15.118) 21.002 1.377 ( 0.000 14.579 15.118) 21.002 1.484 ( 0.000 8.131 -20.664) 22.206 1.484 ( 0.000 8.131 20.664) 22.206 2.104 ( 0.000 2.449 -1.802) 3.040 2.104 ( 0.000 2.449 1.802) 3.040 2.982 ( 0.000 -3.837 -0.443) 3.862 2.982 ( 0.000 -3.837 0.443) 3.862 3.031 ( 0.000 4.141 -1.484) 4.399 3.031 ( 0.000 4.141 1.484) 4.399 3.323 ( 0.000 -3.813 -5.977) 7.090 3.323 ( 0.000 -3.813 5.977) 7.090 3.443 ( 0.000 0.750 -0.207) 0.778 3.443 ( 0.000 0.750 0.207) 0.778 4.077 ( 0.000 -1.744 -18.779) 18.860 4.077 ( 0.000 -1.744 18.779) 18.860 4.776 ( 0.000 6.327 -3.172) 7.078 4.776 ( 0.000 6.327 3.172) 7.078 5.836 ( 0.000 2.267 -21.221) 21.341 5.836 ( 0.000 2.267 21.221) 21.341 6.522 ( 0.000 3.429 -6.468) 7.321 6.522 ( 0.000 3.429 6.468) 7.321 6.860 ( 0.000 -7.930 -6.510) 10.260 6.860 ( 0.000 -7.930 6.510) 10.260 7.235 ( 0.000 -2.052 -0.344) 2.081 7.235 ( 0.000 -2.052 0.344) 2.081 7.701 ( 0.000 6.317 -0.363) 6.328 7.701 ( 0.000 6.317 0.363) 6.328 7.910 ( 0.000 -7.470 -1.667) 7.653 7.910 ( 0.000 -7.470 1.667) 7.653 8.379 ( 0.000 12.839 -2.290) 13.042 8.379 ( 0.000 12.839 2.290) 13.042 8.644 ( 0.000 -15.031 -4.670) 15.739 8.644 ( 0.000 -15.031 4.670) 15.739 9.693 ( 0.000 15.655 -2.226) 15.813 9.693 ( 0.000 15.655 2.226) 15.813 9.974 ( 0.000 -1.329 -6.967) 7.093 9.974 ( 0.000 -1.329 6.967) 7.093 10.122 ( 0.000 -4.392 -3.520) 5.628 10.122 ( 0.000 -4.392 3.520) 5.628 11.724 ( 0.000 -3.094 -20.119) 20.356 11.724 ( 0.000 -3.094 20.119) 20.356 15.922 ( 0.000 1.267 -6.359) 6.484 15.922 ( 0.000 1.267 6.359) 6.484 16.240 ( 0.000 -0.919 -5.116) 5.198 16.240 ( 0.000 -0.919 5.116) 5.198 17.523 ( 0.000 5.251 -0.904) 5.328 17.523 ( 0.000 5.251 0.904) 5.328 18.137 ( 0.000 -2.363 -0.630) 2.446 18.137 ( 0.000 -2.363 0.630) 2.446 19.781 ( 0.000 11.313 -2.586) 11.605 19.781 ( 0.000 11.313 2.586) 11.605 21.159 ( 0.000 -2.698 -0.004) 2.698 21.159 ( 0.000 -2.698 0.004) 2.698 26.091 ( 0.000 0.907 -1.173) 1.483 26.091 ( 0.000 0.907 1.173) 1.483 26.444 ( 0.000 -1.783 -0.263) 1.802 26.444 ( 0.000 -1.783 0.263) 1.802 33.649 ( 0.000 4.323 -6.960) 8.194 33.649 ( 0.000 4.323 6.960) 8.194 36.233 ( 0.000 -26.018 -7.136) 26.979 36.233 ( 0.000 -26.018 7.136) 26.979 36.374 ( 0.000 -0.067 -5.271) 5.271 36.374 ( 0.000 -0.067 5.271) 5.271 36.774 ( 0.000 0.403 -6.274) 6.287 36.774 ( 0.000 0.403 6.274) 6.287 ======================= Grid point 321 (98/120) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 5.152 11.670 -0.000) 12.757 1.443 ( 7.164 11.422 0.000) 13.483 1.575 ( 7.609 4.672 -0.000) 8.929 1.595 ( 5.598 3.790 0.000) 6.760 2.122 ( 3.468 1.536 0.000) 3.793 2.251 ( 11.641 7.004 0.000) 13.585 2.912 ( -2.605 -3.850 0.000) 4.648 2.967 ( -1.089 -2.555 0.000) 2.777 3.091 ( 4.622 3.211 -0.000) 5.628 3.094 ( 3.063 3.171 0.000) 4.409 3.292 ( -2.283 -3.648 0.000) 4.304 3.362 ( 2.266 -2.521 -0.000) 3.390 3.458 ( 2.313 -0.168 -0.000) 2.319 3.504 ( 5.395 0.597 0.000) 5.428 4.084 ( 1.367 -2.383 -0.000) 2.747 4.099 ( 2.006 -0.744 0.000) 2.140 4.656 ( -6.997 3.384 0.000) 7.772 4.773 ( -5.213 5.626 -0.000) 7.670 5.715 ( -6.348 2.673 -0.000) 6.888 5.810 ( -5.138 5.940 0.000) 7.853 6.366 ( -6.901 2.926 0.000) 7.495 6.677 ( 4.214 8.860 0.000) 9.811 6.834 ( -2.662 -4.806 0.000) 5.494 6.866 ( -0.588 -9.565 0.000) 9.583 7.070 ( -6.249 -6.294 0.000) 8.870 7.316 ( -0.143 7.114 0.000) 7.115 7.648 ( -9.676 5.914 0.000) 11.340 7.709 ( -11.896 -7.043 -0.000) 13.825 7.766 ( 6.698 2.737 0.000) 7.236 7.979 ( 4.808 4.111 0.000) 6.326 8.306 ( 4.815 4.541 -0.000) 6.619 8.347 ( -1.879 -5.600 0.000) 5.907 8.874 ( 19.940 -7.084 0.000) 21.161 8.912 ( 12.308 -10.488 -0.000) 16.171 9.633 ( -0.922 8.995 0.000) 9.042 9.754 ( 0.807 17.749 0.000) 17.767 9.847 ( -6.418 -0.182 0.000) 6.421 9.892 ( -5.914 -3.325 -0.000) 6.785 10.168 ( 4.889 -5.471 0.000) 7.337 10.266 ( 6.657 -2.391 0.000) 7.074 11.697 ( -2.001 -3.457 0.000) 3.995 11.717 ( -1.172 -2.682 -0.000) 2.927 15.939 ( 3.042 -0.530 0.000) 3.088 15.997 ( 4.418 1.467 -0.000) 4.655 16.237 ( 0.555 -1.274 0.000) 1.389 16.263 ( 1.240 -0.164 -0.000) 1.251 17.451 ( -3.553 2.389 0.000) 4.281 17.566 ( 0.451 6.787 0.000) 6.802 18.001 ( -9.308 -2.731 0.000) 9.700 18.070 ( -7.258 0.218 0.000) 7.262 19.720 ( -1.863 8.036 0.000) 8.249 19.846 ( 2.002 13.146 0.000) 13.298 21.130 ( -1.500 -3.833 0.000) 4.116 21.174 ( 0.258 -1.719 0.000) 1.739 26.100 ( 0.741 0.829 0.000) 1.112 26.102 ( 0.953 0.962 -0.000) 1.354 26.427 ( -0.783 -2.340 0.000) 2.467 26.459 ( 0.533 -1.163 0.000) 1.279 33.681 ( 3.181 3.763 -0.000) 4.928 33.690 ( 3.683 4.149 0.000) 5.548 35.610 ( -25.742 -14.552 -0.000) 29.571 35.863 ( -33.322 -6.961 0.000) 34.042 36.377 ( 2.937 -0.035 0.000) 2.937 36.447 ( 5.339 3.414 -0.000) 6.337 37.128 ( 39.815 -23.355 0.000) 46.160 37.681 ( 41.034 -5.172 0.000) 41.359 ======================= Grid point 323 (99/120) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.354 0.775 -0.000) 3.442 1.588 ( 10.067 7.624 -0.000) 12.628 1.662 ( 1.060 -0.387 0.000) 1.128 1.783 ( 12.912 8.567 0.000) 15.496 2.237 ( 7.085 -0.531 0.000) 7.105 2.511 ( 11.132 7.712 0.000) 13.543 2.886 ( -0.028 -3.683 0.000) 3.683 2.959 ( 0.143 -4.076 0.000) 4.079 3.139 ( 1.870 3.470 0.000) 3.942 3.174 ( -1.400 -7.975 0.000) 8.097 3.252 ( 2.627 6.975 0.000) 7.453 3.400 ( 1.358 1.050 -0.000) 1.717 3.551 ( 5.972 -2.338 0.000) 6.413 3.649 ( 7.293 0.360 -0.000) 7.302 4.152 ( 5.736 -1.690 -0.000) 5.980 4.181 ( 6.318 0.286 0.000) 6.324 4.492 ( -8.617 1.319 0.000) 8.718 4.571 ( -12.641 2.270 -0.000) 12.843 5.583 ( -7.895 4.552 -0.000) 9.114 5.663 ( -8.348 8.547 0.000) 11.948 6.181 ( -10.791 9.974 0.000) 14.695 6.551 ( -15.518 23.527 0.000) 28.184 6.723 ( -8.066 -11.855 0.000) 14.339 6.830 ( -4.092 -10.834 0.000) 11.581 7.088 ( 4.814 -9.743 0.000) 10.867 7.273 ( -3.118 8.950 0.000) 9.478 7.364 ( -10.754 5.410 0.000) 12.038 7.439 ( -10.892 -0.509 0.000) 10.904 8.031 ( 16.871 -2.976 0.000) 17.132 8.142 ( 7.657 -1.436 0.000) 7.791 8.426 ( 9.029 0.878 -0.000) 9.071 8.483 ( 9.860 3.395 0.000) 10.429 9.139 ( 9.967 -10.549 0.000) 14.513 9.218 ( 11.727 -5.488 0.000) 12.947 9.657 ( 1.715 -4.470 0.000) 4.788 9.718 ( -2.991 13.199 0.000) 13.534 9.765 ( 0.380 7.433 0.000) 7.443 9.828 ( -0.642 -3.331 -0.000) 3.392 10.248 ( 2.562 -5.936 0.000) 6.465 10.373 ( 3.372 -1.480 0.000) 3.683 11.641 ( -3.300 -3.744 0.000) 4.990 11.675 ( -2.776 -2.381 -0.000) 3.657 16.018 ( 3.770 -1.669 0.000) 4.123 16.072 ( 2.485 0.131 0.000) 2.488 16.258 ( 1.155 -0.639 0.000) 1.320 16.284 ( 0.659 0.367 -0.000) 0.754 17.382 ( -2.901 -0.024 0.000) 2.901 17.523 ( -4.450 4.726 0.000) 6.491 17.833 ( -5.571 -0.209 0.000) 5.575 17.895 ( -8.159 1.937 0.000) 8.385 19.700 ( -0.316 6.030 0.000) 6.039 19.857 ( -0.745 12.735 0.000) 12.757 21.100 ( -1.233 -4.624 0.000) 4.786 21.169 ( -0.678 -1.318 0.000) 1.482 26.116 ( 0.710 0.721 0.000) 1.012 26.124 ( 1.006 1.130 0.000) 1.513 26.413 ( -0.512 -2.639 0.000) 2.688 26.465 ( 0.044 -0.648 0.000) 0.650 33.776 ( 5.810 2.614 -0.000) 6.371 33.797 ( 6.347 3.502 0.000) 7.250 35.170 ( -16.945 -7.842 -0.000) 18.672 35.299 ( -20.995 -3.177 0.000) 21.234 36.481 ( 6.585 0.464 0.000) 6.602 36.583 ( 7.137 5.293 -0.000) 8.886 37.916 ( 34.184 -23.864 0.000) 41.690 38.404 ( 27.805 -5.972 -0.000) 28.439 ======================= Grid point 325 (100/120) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -0.160 -2.509 0.000) 2.514 1.654 ( -1.446 -1.147 0.000) 1.846 1.820 ( 11.583 3.811 0.000) 12.194 2.060 ( 12.029 11.031 0.000) 16.321 2.404 ( 8.591 -3.358 0.000) 9.224 2.680 ( 4.668 5.286 0.000) 7.052 2.921 ( 4.184 -1.468 0.000) 4.434 2.963 ( 0.672 -4.067 0.000) 4.122 3.053 ( -7.487 -10.038 0.000) 12.523 3.214 ( 5.570 3.059 0.000) 6.355 3.370 ( 6.181 6.375 0.000) 8.879 3.420 ( 0.686 3.229 0.000) 3.301 3.665 ( 4.265 -1.466 0.000) 4.510 3.758 ( 2.703 0.179 0.000) 2.709 4.271 ( -10.948 -0.078 0.000) 10.949 4.298 ( -6.834 0.801 -0.000) 6.880 4.330 ( 7.284 -1.418 -0.000) 7.421 4.378 ( 6.929 0.347 0.000) 6.938 5.344 ( -14.162 3.566 0.000) 14.604 5.457 ( -11.566 9.874 0.000) 15.207 5.959 ( -9.872 16.190 -0.000) 18.962 6.158 ( -19.590 22.310 0.000) 29.690 6.554 ( -7.080 -6.930 0.000) 9.907 6.673 ( -9.720 -3.376 0.000) 10.289 6.972 ( -10.062 -5.865 0.000) 11.647 7.099 ( -10.982 2.598 0.000) 11.285 7.392 ( 3.309 -2.274 -0.000) 4.015 7.430 ( 9.290 0.929 0.000) 9.336 8.250 ( 4.547 -9.087 0.000) 10.162 8.406 ( 17.082 -6.207 -0.000) 18.175 8.673 ( 8.389 7.501 0.000) 11.253 8.693 ( 14.161 6.127 -0.000) 15.429 9.351 ( 10.009 -9.734 -0.000) 13.962 9.390 ( 6.075 -2.265 0.000) 6.483 9.663 ( -1.785 8.506 0.000) 8.692 9.668 ( 0.327 -9.781 -0.000) 9.786 9.843 ( 1.723 -1.337 -0.000) 2.180 9.854 ( 5.553 8.950 0.000) 10.532 10.274 ( -0.054 -6.408 0.000) 6.408 10.403 ( -0.534 -0.850 0.000) 1.004 11.567 ( -3.555 -3.804 0.000) 5.207 11.606 ( -3.630 -2.198 -0.000) 4.243 16.077 ( 1.823 -1.525 -0.000) 2.377 16.105 ( 0.834 -0.646 0.000) 1.055 16.270 ( -0.143 0.010 0.000) 0.143 16.287 ( -0.358 0.623 -0.000) 0.719 17.332 ( -1.838 -1.023 0.000) 2.103 17.419 ( -4.588 1.697 0.000) 4.892 17.758 ( -2.364 1.776 0.000) 2.957 17.761 ( -4.484 1.592 -0.000) 4.758 19.701 ( 0.406 5.813 0.000) 5.827 19.826 ( -1.983 11.278 0.000) 11.451 21.081 ( -0.536 -4.784 0.000) 4.814 21.148 ( -1.290 -1.610 0.000) 2.063 26.128 ( 0.478 0.705 0.000) 0.852 26.140 ( 0.514 1.293 0.000) 1.392 26.407 ( -0.044 -2.523 0.000) 2.523 26.460 ( -0.511 -0.442 0.000) 0.676 33.913 ( 7.017 1.337 0.000) 7.143 33.943 ( 7.317 2.629 0.000) 7.775 34.879 ( -11.292 -4.185 0.000) 12.043 34.953 ( -12.931 -1.256 0.000) 12.992 36.633 ( 7.442 2.063 0.000) 7.722 36.726 ( 6.157 6.409 -0.000) 8.887 38.526 ( 23.971 -19.226 0.000) 30.729 38.854 ( 15.676 -6.566 -0.000) 16.995 ======================= Grid point 327 (101/120) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.387 -1.514 0.000) 1.563 1.618 ( -1.721 -0.662 0.000) 1.844 2.055 ( 10.525 1.229 0.000) 10.597 2.243 ( 4.730 7.387 0.000) 8.771 2.568 ( 6.356 -1.414 -0.000) 6.512 2.700 ( -1.752 1.572 0.000) 2.354 2.907 ( -4.709 -10.374 0.000) 11.393 2.988 ( -0.259 -4.978 0.000) 4.984 3.095 ( 11.736 1.648 0.000) 11.851 3.333 ( 4.513 7.140 -0.000) 8.447 3.465 ( 4.632 3.898 -0.000) 6.054 3.489 ( 4.977 4.619 0.000) 6.790 3.720 ( 0.993 0.034 0.000) 0.994 3.768 ( -1.384 0.443 -0.000) 1.453 4.011 ( -11.163 -1.554 0.000) 11.271 4.096 ( -10.378 0.817 0.000) 10.410 4.510 ( 6.828 -3.192 -0.000) 7.537 4.540 ( 5.699 -2.599 0.000) 6.264 5.079 ( -8.821 4.492 0.000) 9.899 5.203 ( -11.530 9.616 0.000) 15.014 5.771 ( -7.769 19.326 0.000) 20.829 5.810 ( -12.346 20.254 0.000) 23.721 6.439 ( -3.973 0.063 0.000) 3.974 6.486 ( -7.079 1.608 0.000) 7.259 6.822 ( -3.740 -5.064 0.000) 6.295 6.907 ( -6.961 -0.992 0.000) 7.032 7.470 ( 3.606 -3.842 -0.000) 5.269 7.552 ( 1.793 -0.209 0.000) 1.805 8.400 ( 9.785 -13.100 0.000) 16.351 8.644 ( 4.107 -10.156 0.000) 10.955 8.861 ( 9.460 5.426 0.000) 10.906 8.935 ( 7.816 4.934 -0.000) 9.244 9.486 ( 2.420 -1.408 -0.000) 2.800 9.500 ( 4.397 -0.123 0.000) 4.399 9.664 ( -1.095 -5.821 0.000) 5.923 9.678 ( 1.974 2.650 0.000) 3.304 9.908 ( 5.494 0.582 -0.000) 5.525 9.962 ( 4.756 5.154 0.000) 7.013 10.253 ( -1.580 -5.663 0.000) 5.879 10.350 ( -4.489 -0.847 0.000) 4.568 11.506 ( -1.927 -3.369 0.000) 3.881 11.535 ( -2.951 -2.228 -0.000) 3.698 16.100 ( 0.533 -0.951 -0.000) 1.090 16.113 ( -0.017 -0.550 0.000) 0.550 16.261 ( -0.420 0.171 0.000) 0.453 16.274 ( -0.778 0.595 -0.000) 0.979 17.307 ( -0.518 -0.980 0.000) 1.108 17.345 ( -2.475 0.316 0.000) 2.495 17.703 ( -1.320 0.868 0.000) 1.580 17.718 ( -1.523 1.480 -0.000) 2.123 19.716 ( 1.004 6.651 0.000) 6.726 19.783 ( -2.071 9.602 0.000) 9.823 21.079 ( 0.295 -4.317 0.000) 4.327 21.119 ( -1.388 -2.417 0.000) 2.787 26.137 ( 0.344 0.848 0.000) 0.915 26.145 ( 0.030 1.284 0.000) 1.284 26.412 ( 0.480 -2.006 0.000) 2.062 26.445 ( -0.868 -0.680 0.000) 1.103 34.055 ( 6.035 0.352 -0.000) 6.046 34.083 ( 5.442 1.539 0.000) 5.655 34.692 ( -6.348 -1.932 0.000) 6.636 34.737 ( -7.864 -0.127 -0.000) 7.865 36.771 ( 5.336 3.937 0.000) 6.631 36.825 ( 2.975 6.418 0.000) 7.074 38.917 ( 13.531 -14.206 0.000) 19.619 39.075 ( 5.721 -7.944 -0.000) 9.790 ======================= Grid point 329 (102/120) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.516 -0.435 0.000) 0.675 1.593 ( 0.516 -0.435 0.000) 0.675 2.233 ( -5.505 1.797 0.000) 5.791 2.233 ( 5.505 1.797 0.000) 5.791 2.653 ( -2.445 1.153 0.000) 2.703 2.653 ( 2.445 1.153 0.000) 2.703 2.916 ( -4.705 -8.578 0.000) 9.784 2.916 ( 4.705 -8.578 0.000) 9.784 3.328 ( -7.217 7.376 0.000) 10.319 3.328 ( 7.217 7.376 -0.000) 10.319 3.551 ( -0.531 3.409 0.000) 3.450 3.551 ( 0.531 3.409 0.000) 3.450 3.728 ( -1.221 0.514 0.000) 1.325 3.728 ( 1.221 0.514 -0.000) 1.325 3.913 ( -4.148 -1.136 -0.000) 4.301 3.913 ( 4.148 -1.136 0.000) 4.301 4.592 ( -0.813 -3.943 0.000) 4.026 4.592 ( 0.813 -3.943 0.000) 4.026 5.029 ( -3.899 6.915 0.000) 7.938 5.029 ( 3.899 6.915 0.000) 7.938 5.678 ( -0.177 20.411 0.000) 20.412 5.678 ( 0.177 20.411 0.000) 20.412 6.402 ( -0.880 3.018 0.000) 3.144 6.402 ( 0.880 3.018 0.000) 3.144 6.810 ( -2.256 -3.771 0.000) 4.394 6.810 ( 2.256 -3.771 0.000) 4.394 7.535 ( -2.479 -2.289 0.000) 3.374 7.535 ( 2.479 -2.289 0.000) 3.374 8.599 ( -7.340 -12.861 0.000) 14.809 8.599 ( 7.340 -12.861 0.000) 14.809 8.995 ( -2.130 2.486 0.000) 3.274 8.995 ( 2.130 2.486 0.000) 3.274 9.530 ( -1.908 2.338 0.000) 3.018 9.530 ( 1.908 2.338 0.000) 3.018 9.665 ( -2.040 -0.284 0.000) 2.059 9.665 ( 2.040 -0.284 0.000) 2.059 10.019 ( -1.402 1.271 0.000) 1.892 10.019 ( 1.402 1.271 0.000) 1.892 10.249 ( -3.026 -2.807 0.000) 4.128 10.250 ( 3.026 -2.807 -0.000) 4.128 11.494 ( -0.766 -2.667 0.000) 2.775 11.494 ( 0.766 -2.667 0.000) 2.775 16.108 ( -0.340 -0.514 0.000) 0.616 16.108 ( 0.340 -0.514 0.000) 0.616 16.260 ( -0.388 0.317 -0.000) 0.501 16.260 ( 0.388 0.317 0.000) 0.501 17.311 ( -0.882 -0.477 0.000) 1.003 17.311 ( 0.882 -0.477 0.000) 1.003 17.696 ( -0.486 0.874 0.000) 1.000 17.696 ( 0.486 0.874 0.000) 1.000 19.743 ( -1.617 8.003 0.000) 8.165 19.743 ( 1.617 8.003 0.000) 8.165 21.093 ( -1.004 -3.429 0.000) 3.573 21.093 ( 1.004 -3.429 0.000) 3.573 26.143 ( -0.236 1.092 0.000) 1.118 26.143 ( 0.236 1.092 0.000) 1.118 26.426 ( -0.847 -1.288 0.000) 1.542 26.426 ( 0.847 -1.288 0.000) 1.542 34.137 ( -0.966 0.341 0.000) 1.024 34.137 ( 0.966 0.341 0.000) 1.024 34.635 ( -1.316 -0.259 0.000) 1.341 34.635 ( 1.316 -0.259 0.000) 1.341 36.843 ( -1.345 5.501 0.000) 5.663 36.843 ( 1.345 5.501 0.000) 5.663 39.096 ( -3.701 -10.400 0.000) 11.038 39.096 ( 3.701 -10.400 0.000) 11.038 ======================= Grid point 341 (103/120) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.000 2.740 -5.306) 5.972 1.566 ( 0.000 2.740 5.306) 5.972 1.710 ( 0.000 12.948 -16.176) 20.720 1.710 ( 0.000 12.948 16.176) 20.720 2.313 ( 0.000 16.007 -1.354) 16.064 2.313 ( 0.000 16.007 1.354) 16.064 2.842 ( 0.000 -9.517 -2.668) 9.884 2.842 ( 0.000 -9.517 2.668) 9.884 3.099 ( 0.000 1.942 -3.059) 3.623 3.099 ( 0.000 1.942 3.059) 3.623 3.274 ( 0.000 -0.576 -2.402) 2.470 3.274 ( 0.000 -0.576 2.402) 2.470 3.423 ( 0.000 -2.266 -4.162) 4.739 3.423 ( 0.000 -2.266 4.162) 4.739 4.084 ( 0.000 2.825 -23.232) 23.404 4.084 ( 0.000 2.825 23.232) 23.404 4.847 ( 0.000 -0.737 -0.409) 0.843 4.847 ( 0.000 -0.737 0.409) 0.843 5.901 ( 0.000 3.565 -16.728) 17.104 5.901 ( 0.000 3.565 16.728) 17.104 6.613 ( 0.000 2.994 -5.800) 6.528 6.613 ( 0.000 2.994 5.800) 6.528 6.694 ( 0.000 -4.313 -10.260) 11.129 6.694 ( 0.000 -4.313 10.260) 11.129 7.221 ( 0.000 0.297 -0.236) 0.379 7.221 ( 0.000 0.297 0.236) 0.379 7.666 ( 0.000 -13.188 -6.649) 14.769 7.666 ( 0.000 -13.188 6.649) 14.769 7.888 ( 0.000 7.768 -0.300) 7.774 7.888 ( 0.000 7.768 0.300) 7.774 8.477 ( 0.000 0.414 -10.221) 10.229 8.477 ( 0.000 0.414 10.221) 10.229 8.644 ( 0.000 11.828 -0.192) 11.830 8.644 ( 0.000 11.828 0.192) 11.830 9.772 ( 0.000 -5.510 -1.109) 5.621 9.772 ( 0.000 -5.510 1.109) 5.621 9.971 ( 0.000 -9.722 -5.265) 11.056 9.971 ( 0.000 -9.722 5.265) 11.056 10.118 ( 0.000 11.914 -4.190) 12.629 10.118 ( 0.000 11.914 4.190) 12.629 11.638 ( 0.000 -4.764 -17.317) 17.960 11.638 ( 0.000 -4.764 17.317) 17.960 15.955 ( 0.000 1.739 -5.372) 5.646 15.955 ( 0.000 1.739 5.372) 5.646 16.216 ( 0.000 -1.240 -4.311) 4.486 16.216 ( 0.000 -1.240 4.311) 4.486 17.648 ( 0.000 6.065 -0.808) 6.119 17.648 ( 0.000 6.065 0.808) 6.119 18.077 ( 0.000 -3.099 -0.363) 3.121 18.077 ( 0.000 -3.099 0.363) 3.121 20.076 ( 0.000 15.781 -6.223) 16.964 20.076 ( 0.000 15.781 6.223) 16.964 21.072 ( 0.000 -5.671 -0.444) 5.689 21.072 ( 0.000 -5.671 0.444) 5.689 26.115 ( 0.000 1.345 -1.174) 1.785 26.115 ( 0.000 1.345 1.174) 1.785 26.400 ( 0.000 -2.165 -0.025) 2.165 26.400 ( 0.000 -2.165 0.025) 2.165 33.773 ( 0.000 7.284 -8.930) 11.524 33.773 ( 0.000 7.284 8.930) 11.524 35.634 ( 0.000 -27.793 -20.756) 34.688 35.634 ( 0.000 -27.793 20.756) 34.688 36.404 ( 0.000 2.172 -5.129) 5.570 36.404 ( 0.000 2.172 5.129) 5.570 36.739 ( 0.000 -3.134 -8.024) 8.615 36.739 ( 0.000 -3.134 8.024) 8.615 ======================= Grid point 343 (104/120) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.078 0.206 -0.000) 0.220 1.598 ( 1.785 1.138 0.000) 2.117 1.733 ( 2.378 12.398 -0.000) 12.624 1.766 ( 5.878 12.251 0.000) 13.588 2.297 ( 1.965 13.934 0.000) 14.071 2.475 ( 9.834 12.979 0.000) 16.284 2.803 ( -1.144 -7.566 -0.000) 7.652 2.851 ( -0.416 -8.960 0.000) 8.970 3.095 ( -1.207 -1.279 0.000) 1.758 3.136 ( 2.397 1.252 0.000) 2.705 3.287 ( 3.124 1.801 0.000) 3.606 3.334 ( 4.212 -0.157 -0.000) 4.214 3.429 ( 1.793 -2.233 -0.000) 2.864 3.495 ( 5.742 -1.012 0.000) 5.831 4.073 ( 0.920 2.138 -0.000) 2.327 4.124 ( 2.504 3.265 0.000) 4.114 4.706 ( -8.837 0.094 0.000) 8.837 4.795 ( -8.262 -3.529 0.000) 8.984 5.819 ( -3.564 6.060 -0.000) 7.030 5.941 ( -0.629 5.656 0.000) 5.691 6.484 ( 0.068 4.222 0.000) 4.223 6.580 ( -5.021 -7.297 0.000) 8.858 6.735 ( -2.588 1.033 -0.000) 2.787 6.817 ( 4.886 -3.373 0.000) 5.937 7.173 ( 2.914 10.973 0.000) 11.353 7.406 ( 7.082 1.101 0.000) 7.167 7.493 ( -5.481 -11.821 0.000) 13.030 7.771 ( -11.458 4.089 0.000) 12.166 7.851 ( 0.132 4.813 0.000) 4.815 8.012 ( 14.870 -3.432 0.000) 15.261 8.175 ( -7.292 -0.952 0.000) 7.354 8.441 ( -2.247 7.193 0.000) 7.536 8.833 ( 12.888 3.382 0.000) 13.324 8.904 ( 13.670 5.987 0.000) 14.923 9.568 ( -8.713 -9.453 0.000) 12.855 9.738 ( -7.424 -11.092 0.000) 13.347 9.979 ( 4.195 -2.411 0.000) 4.838 10.025 ( -4.859 10.585 0.000) 11.647 10.134 ( -0.893 7.910 -0.000) 7.961 10.161 ( 8.224 -6.721 0.000) 10.621 11.608 ( -2.168 -4.752 0.000) 5.224 11.637 ( -0.917 -4.673 -0.000) 4.763 15.943 ( 1.288 0.834 0.000) 1.534 16.020 ( 2.961 0.636 -0.000) 3.028 16.212 ( 1.043 -0.946 0.000) 1.408 16.253 ( 1.930 -0.726 0.000) 2.062 17.529 ( -6.073 4.497 0.000) 7.557 17.700 ( -1.007 5.204 0.000) 5.300 17.948 ( -6.951 -1.917 0.000) 7.211 18.063 ( -4.382 -0.842 0.000) 4.463 19.965 ( -4.340 14.373 0.000) 15.014 20.166 ( 2.341 16.337 0.000) 16.504 21.018 ( -2.601 -6.909 0.000) 7.382 21.107 ( 0.957 -4.685 0.000) 4.782 26.123 ( 0.652 1.272 0.000) 1.429 26.128 ( 1.082 1.462 -0.000) 1.819 26.377 ( -1.088 -2.251 0.000) 2.500 26.422 ( 0.857 -2.173 0.000) 2.336 33.792 ( 2.036 6.565 -0.000) 6.873 33.807 ( 2.903 6.751 0.000) 7.348 35.281 ( -16.311 -15.846 -0.000) 22.741 35.550 ( -18.556 -20.654 0.000) 27.766 36.393 ( 3.108 1.464 0.000) 3.436 36.538 ( 6.961 5.064 0.000) 8.608 36.768 ( 26.797 -10.290 0.000) 28.705 37.458 ( 36.527 -13.906 0.000) 39.085 ======================= Grid point 345 (105/120) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.861 -2.607 0.000) 2.746 1.618 ( -0.053 -2.514 0.000) 2.515 1.822 ( 5.988 12.127 -0.000) 13.524 1.960 ( 12.118 7.746 0.000) 14.382 2.363 ( 4.089 11.447 0.000) 12.155 2.663 ( 6.983 6.492 0.000) 9.534 2.814 ( 1.905 -6.019 -0.000) 6.313 2.843 ( 0.222 -7.267 0.000) 7.270 3.024 ( -5.072 -2.935 0.000) 5.860 3.186 ( 2.924 2.073 0.000) 3.585 3.392 ( 5.777 4.706 0.000) 7.451 3.399 ( 1.602 -2.565 -0.000) 3.024 3.533 ( 7.544 1.622 0.000) 7.716 3.635 ( 6.621 -1.148 0.000) 6.720 4.143 ( 5.931 1.508 -0.000) 6.120 4.199 ( 4.869 1.417 0.000) 5.071 4.507 ( -9.869 -0.734 0.000) 9.896 4.567 ( -12.059 -2.381 0.000) 12.291 5.710 ( -7.981 7.005 -0.000) 10.620 5.883 ( -4.705 11.617 0.000) 12.533 6.456 ( -6.427 -11.385 0.000) 13.074 6.524 ( -2.348 19.124 -0.000) 19.267 6.619 ( -3.263 -8.143 0.000) 8.773 6.866 ( -2.464 -6.260 0.000) 6.728 7.171 ( -7.191 26.734 0.000) 27.684 7.359 ( -7.712 -5.046 -0.000) 9.216 7.426 ( -10.538 1.428 0.000) 10.634 7.439 ( -4.354 6.174 -0.000) 7.554 7.977 ( 11.783 -2.570 0.000) 12.060 8.085 ( 0.017 -1.956 0.000) 1.956 8.444 ( 19.493 -0.578 0.000) 19.502 8.553 ( 11.890 3.931 0.000) 12.523 9.044 ( 7.136 0.862 0.000) 7.188 9.172 ( 11.263 0.114 0.000) 11.263 9.441 ( -3.164 -12.148 0.000) 12.554 9.660 ( 1.291 -11.968 0.000) 12.038 9.947 ( -6.038 6.165 -0.000) 8.630 9.950 ( -1.536 6.575 0.000) 6.752 10.145 ( 1.357 -2.133 -0.000) 2.528 10.300 ( 4.905 -4.631 0.000) 6.746 11.548 ( -3.433 -4.758 0.000) 5.867 11.600 ( -2.586 -4.561 -0.000) 5.243 15.994 ( 3.009 -0.574 0.000) 3.063 16.063 ( 1.305 -0.932 0.000) 1.603 16.249 ( 1.921 -0.160 0.000) 1.928 16.287 ( 1.122 -0.140 0.000) 1.131 17.411 ( -4.888 2.415 0.000) 5.452 17.587 ( -8.004 1.051 0.000) 8.073 17.857 ( -2.489 2.345 0.000) 3.420 17.932 ( -7.097 1.479 0.000) 7.250 19.905 ( -1.529 12.810 0.000) 12.901 20.170 ( -1.654 16.195 0.000) 16.279 20.971 ( -1.791 -7.806 0.000) 8.009 21.109 ( -0.731 -4.423 0.000) 4.483 26.137 ( 0.675 1.255 0.000) 1.424 26.154 ( 1.228 1.659 0.000) 2.064 26.358 ( -0.603 -2.382 0.000) 2.458 26.435 ( 0.343 -2.094 0.000) 2.122 33.857 ( 4.147 4.864 -0.000) 6.392 33.892 ( 5.072 5.291 0.000) 7.330 34.990 ( -11.677 -8.726 -0.000) 14.577 35.165 ( -15.918 -9.070 0.000) 18.321 36.519 ( 8.454 3.145 0.000) 9.020 36.718 ( 9.239 7.310 0.000) 11.781 37.447 ( 34.044 -19.007 0.000) 38.991 38.139 ( 27.491 -17.490 0.000) 32.583 ======================= Grid point 347 (106/120) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.266 -3.605 0.000) 3.615 1.602 ( -1.207 -3.552 0.000) 3.752 1.968 ( 7.636 8.911 0.000) 11.735 2.229 ( 12.125 4.053 0.000) 12.784 2.465 ( 5.675 9.701 0.000) 11.239 2.722 ( -0.950 -2.766 0.000) 2.925 2.820 ( -4.377 -10.692 0.000) 11.553 2.896 ( 4.283 0.234 0.000) 4.289 2.968 ( 3.790 4.458 0.000) 5.851 3.286 ( 6.738 4.031 0.000) 7.851 3.430 ( 2.036 -2.975 -0.000) 3.605 3.500 ( 4.482 5.054 0.000) 6.755 3.676 ( 5.314 2.657 -0.000) 5.941 3.740 ( 3.219 -1.162 0.000) 3.423 4.258 ( -7.230 -1.491 -0.000) 7.382 4.295 ( 2.166 -0.599 -0.000) 2.248 4.302 ( -4.418 -1.796 -0.000) 4.769 4.370 ( 0.365 -0.984 0.000) 1.049 5.484 ( -12.465 9.454 0.000) 15.645 5.730 ( -10.247 15.586 0.000) 18.652 6.357 ( -3.061 -6.795 -0.611) 7.477 6.358 ( -8.841 13.164 0.611) 15.869 6.587 ( -17.940 3.017 0.000) 18.192 6.621 ( -0.819 3.377 0.000) 3.475 6.993 ( -8.123 18.461 0.000) 20.169 7.137 ( -12.475 1.236 0.000) 12.536 7.364 ( -1.219 1.073 0.000) 1.624 7.442 ( 6.211 -0.016 0.000) 6.211 8.085 ( 0.435 -6.174 0.000) 6.190 8.248 ( 11.698 -8.285 0.000) 14.334 8.807 ( 9.000 5.187 0.000) 10.388 8.810 ( 14.504 3.783 -0.000) 14.989 9.201 ( 10.442 -5.990 0.000) 12.038 9.346 ( 5.081 -6.704 0.000) 8.412 9.447 ( 3.971 -5.797 0.000) 7.027 9.771 ( 6.671 -5.250 0.000) 8.489 9.817 ( -4.262 5.115 0.000) 6.658 9.966 ( 2.541 1.203 0.000) 2.811 10.151 ( -0.815 -3.733 -0.000) 3.820 10.361 ( 0.798 -2.487 0.000) 2.612 11.474 ( -3.322 -4.627 0.000) 5.696 11.535 ( -3.433 -4.365 -0.000) 5.553 16.049 ( 2.085 -1.046 0.000) 2.332 16.084 ( 0.808 -1.223 0.000) 1.466 16.273 ( 0.224 0.236 0.000) 0.325 16.297 ( -0.164 0.233 0.000) 0.285 17.331 ( -2.753 0.794 0.000) 2.865 17.436 ( -5.822 0.032 0.000) 5.823 17.800 ( -5.045 1.988 0.000) 5.423 17.805 ( -2.635 2.374 -0.000) 3.547 19.895 ( 0.488 12.115 0.000) 12.125 20.113 ( -3.396 15.390 0.000) 15.760 20.947 ( -0.414 -8.052 0.000) 8.062 21.080 ( -1.977 -4.904 0.000) 5.287 26.150 ( 0.577 1.322 0.000) 1.443 26.175 ( 0.649 1.885 0.000) 1.993 26.354 ( 0.178 -2.404 0.000) 2.411 26.434 ( -0.428 -1.924 0.000) 1.971 33.959 ( 5.436 2.913 0.000) 6.168 34.009 ( 5.835 3.410 0.000) 6.758 34.784 ( -8.126 -4.443 -0.000) 9.261 34.896 ( -10.288 -3.991 0.000) 11.035 36.718 ( 9.809 5.918 0.000) 11.456 36.895 ( 7.185 9.363 0.000) 11.802 38.101 ( 27.451 -19.772 0.000) 33.830 38.592 ( 15.924 -17.199 -0.000) 23.439 ======================= Grid point 349 (107/120) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.785 -3.483 0.000) 3.570 1.578 ( -0.967 -3.231 0.000) 3.372 2.130 ( 7.802 4.989 0.000) 9.261 2.380 ( 0.603 4.619 -0.000) 4.658 2.602 ( 6.665 5.223 -0.000) 8.468 2.682 ( -2.011 -2.936 0.000) 3.559 2.716 ( -1.834 -6.983 0.000) 7.220 2.941 ( -1.531 1.662 0.000) 2.260 3.165 ( 13.440 4.556 0.000) 14.191 3.429 ( 5.699 2.205 0.000) 6.111 3.534 ( 8.440 1.482 -0.000) 8.569 3.586 ( 3.937 3.701 0.000) 5.403 3.738 ( 0.413 1.361 0.000) 1.422 3.767 ( -0.580 0.315 -0.000) 0.660 3.999 ( -13.526 0.639 -0.000) 13.541 4.079 ( -11.419 -2.346 0.000) 11.658 4.431 ( 4.696 -4.104 -0.000) 6.236 4.450 ( 3.445 -5.563 0.000) 6.543 5.269 ( -6.198 12.831 0.000) 14.249 5.478 ( -12.568 15.822 0.000) 20.206 6.185 ( -7.130 13.249 0.000) 15.046 6.192 ( -10.086 10.624 0.000) 14.649 6.449 ( 2.717 -2.650 0.000) 3.795 6.578 ( -2.521 9.575 -0.000) 9.901 6.830 ( -6.417 13.707 0.000) 15.135 6.897 ( -9.532 2.515 0.000) 9.858 7.388 ( 3.029 -3.343 0.000) 4.511 7.524 ( 0.118 -2.397 0.000) 2.400 8.153 ( 6.635 -9.710 0.000) 11.760 8.392 ( 1.278 -12.274 0.000) 12.340 8.930 ( 4.784 -0.201 0.000) 4.788 9.014 ( 4.574 0.326 0.000) 4.586 9.434 ( 8.439 -3.083 -0.000) 8.984 9.439 ( 4.627 -7.583 0.000) 8.883 9.557 ( 5.566 0.419 0.000) 5.582 9.734 ( -2.216 1.712 0.000) 2.800 9.946 ( 7.763 1.511 -0.000) 7.909 10.024 ( 2.334 -0.947 0.000) 2.519 10.130 ( -0.219 -4.072 -0.000) 4.077 10.328 ( -4.009 -0.434 0.000) 4.032 11.423 ( -1.351 -4.227 0.000) 4.438 11.466 ( -2.930 -4.058 -0.000) 5.005 16.080 ( 1.026 -0.786 -0.000) 1.293 16.096 ( 0.347 -0.885 0.000) 0.951 16.267 ( -0.404 0.386 0.000) 0.558 16.284 ( -0.889 0.329 0.000) 0.948 17.296 ( -0.657 -0.069 0.000) 0.660 17.345 ( -3.074 -0.281 0.000) 3.087 17.729 ( -1.845 1.436 0.000) 2.338 17.751 ( -2.293 1.489 0.000) 2.734 19.921 ( 1.872 12.334 0.000) 12.475 20.039 ( -3.536 14.260 0.000) 14.692 20.954 ( 0.975 -7.667 0.000) 7.729 21.033 ( -2.392 -5.825 0.000) 6.297 26.162 ( 0.589 1.531 0.000) 1.640 26.181 ( -0.056 1.970 0.000) 1.971 26.366 ( 0.945 -2.272 0.000) 2.461 26.417 ( -1.125 -1.874 0.000) 2.186 34.072 ( 4.979 1.251 0.000) 5.133 34.117 ( 3.875 1.505 0.000) 4.157 34.653 ( -4.132 -1.612 -0.000) 4.436 34.721 ( -6.550 -1.333 0.000) 6.684 36.902 ( 7.282 8.363 0.000) 11.089 37.002 ( 2.820 10.197 0.000) 10.579 38.568 ( 16.921 -18.010 0.000) 24.712 38.811 ( 5.078 -16.397 -0.000) 17.165 ======================= Grid point 351 (108/120) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.849 -3.040 0.000) 3.156 1.560 ( 0.849 -3.040 -0.000) 3.156 2.290 ( -7.116 2.752 0.000) 7.630 2.290 ( 7.116 2.752 0.000) 7.630 2.652 ( -0.816 -0.943 0.000) 1.247 2.652 ( 0.816 -0.943 -0.000) 1.247 2.829 ( -8.033 1.357 0.000) 8.147 2.829 ( 8.033 1.357 0.000) 8.147 3.437 ( -8.455 3.136 0.000) 9.018 3.437 ( 8.455 3.136 0.000) 9.018 3.664 ( -2.032 5.574 0.000) 5.933 3.664 ( 2.032 5.574 0.000) 5.933 3.734 ( -1.680 1.425 0.000) 2.203 3.734 ( 1.680 1.425 -0.000) 2.202 3.853 ( -6.231 -4.762 -0.000) 7.843 3.853 ( 6.231 -4.762 0.000) 7.843 4.485 ( -0.373 -5.822 0.000) 5.834 4.485 ( 0.373 -5.822 0.000) 5.834 5.268 ( -6.032 15.042 0.000) 16.206 5.268 ( 6.032 15.042 0.000) 16.206 6.093 ( -0.631 13.328 0.000) 13.343 6.093 ( 0.631 13.328 0.000) 13.343 6.523 ( -3.160 6.272 0.000) 7.023 6.523 ( 3.160 6.272 0.000) 7.023 6.772 ( -1.652 6.449 0.000) 6.657 6.772 ( 1.652 6.449 0.000) 6.657 7.469 ( -4.147 -3.795 0.000) 5.621 7.469 ( 4.147 -3.795 0.000) 5.621 8.317 ( -7.269 -12.576 0.000) 14.526 8.317 ( 7.269 -12.576 0.000) 14.526 9.020 ( -2.989 -2.486 0.000) 3.888 9.020 ( 2.989 -2.486 0.000) 3.888 9.506 ( -0.715 -3.041 0.000) 3.124 9.506 ( 0.715 -3.041 0.000) 3.124 9.669 ( -4.673 1.111 0.000) 4.803 9.669 ( 4.673 1.111 0.000) 4.803 10.045 ( -0.848 -1.646 0.000) 1.852 10.045 ( 0.848 -1.646 -0.000) 1.852 10.203 ( -6.967 0.498 0.000) 6.984 10.203 ( 6.967 0.498 -0.000) 6.984 11.421 ( -1.158 -3.941 0.000) 4.107 11.421 ( 1.158 -3.941 0.000) 4.107 16.096 ( -0.419 -0.588 0.000) 0.722 16.096 ( 0.419 -0.588 0.000) 0.722 16.267 ( -0.499 0.316 0.000) 0.591 16.267 ( 0.499 0.316 0.000) 0.591 17.301 ( -1.174 -0.353 0.000) 1.226 17.301 ( 1.174 -0.353 0.000) 1.226 17.718 ( -0.696 1.102 0.000) 1.303 17.718 ( 0.696 1.102 0.000) 1.303 19.971 ( -2.902 13.149 0.000) 13.466 19.971 ( 2.902 13.149 0.000) 13.466 20.986 ( -1.994 -6.842 0.000) 7.127 20.986 ( 1.994 -6.842 0.000) 7.127 26.174 ( -0.492 1.812 0.000) 1.878 26.174 ( 0.492 1.812 0.000) 1.878 26.390 ( -1.338 -2.034 0.000) 2.435 26.390 ( 1.338 -2.034 0.000) 2.435 34.146 ( -1.423 0.464 0.000) 1.496 34.146 ( 1.423 0.464 0.000) 1.496 34.628 ( -1.932 -0.327 0.000) 1.959 34.628 ( 1.932 -0.327 0.000) 1.959 37.006 ( -2.490 9.832 0.000) 10.142 37.006 ( 2.490 9.832 0.000) 10.142 38.804 ( -5.748 -16.573 0.000) 17.541 38.804 ( 5.748 -16.573 0.000) 17.541 ======================= Grid point 363 (109/120) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 -0.896 -1.055) 1.384 1.569 ( 0.000 -0.896 1.055) 1.384 2.007 ( 0.000 14.846 -12.278) 19.265 2.007 ( 0.000 14.846 12.278) 19.265 2.601 ( 0.000 -10.560 -5.666) 11.984 2.601 ( 0.000 -10.560 5.666) 11.984 2.637 ( 0.000 10.782 -3.601) 11.367 2.637 ( 0.000 10.782 3.601) 11.367 3.118 ( 0.000 0.125 -2.274) 2.277 3.118 ( 0.000 0.125 2.274) 2.277 3.198 ( 0.000 -7.382 -8.607) 11.339 3.198 ( 0.000 -7.382 8.607) 11.339 3.452 ( 0.000 5.208 -0.393) 5.223 3.452 ( 0.000 5.208 0.393) 5.223 4.181 ( 0.000 5.560 -21.978) 22.671 4.181 ( 0.000 5.560 21.978) 22.671 4.762 ( 0.000 -5.841 -3.811) 6.975 4.762 ( 0.000 -5.841 3.811) 6.975 5.939 ( 0.000 -0.751 -7.640) 7.677 5.939 ( 0.000 -0.751 7.640) 7.677 6.590 ( 0.000 2.207 -8.348) 8.634 6.590 ( 0.000 2.207 8.348) 8.634 6.808 ( 0.000 7.906 -0.810) 7.947 6.808 ( 0.000 7.906 0.810) 7.947 7.182 ( 0.000 -4.248 -3.124) 5.273 7.182 ( 0.000 -4.248 3.124) 5.273 7.373 ( 0.000 -13.140 -4.936) 14.036 7.373 ( 0.000 -13.140 4.936) 14.036 8.033 ( 0.000 5.376 -1.259) 5.522 8.033 ( 0.000 5.376 1.259) 5.522 8.627 ( 0.000 11.585 -12.827) 17.284 8.627 ( 0.000 11.585 12.827) 17.284 8.855 ( 0.000 7.769 -0.838) 7.814 8.855 ( 0.000 7.769 0.838) 7.814 9.628 ( 0.000 -6.888 -0.173) 6.890 9.628 ( 0.000 -6.888 0.173) 6.890 9.731 ( 0.000 -12.039 -6.572) 13.716 9.731 ( 0.000 -12.039 6.572) 13.716 10.325 ( 0.000 7.114 -2.989) 7.717 10.325 ( 0.000 7.114 2.989) 7.717 11.543 ( 0.000 -3.810 -10.761) 11.416 11.543 ( 0.000 -3.810 10.761) 11.416 15.989 ( 0.000 1.330 -3.477) 3.722 15.989 ( 0.000 1.330 3.477) 3.722 16.192 ( 0.000 -0.989 -2.851) 3.018 16.192 ( 0.000 -0.989 2.851) 3.018 17.760 ( 0.000 4.396 -0.251) 4.404 17.760 ( 0.000 4.396 0.251) 4.404 18.014 ( 0.000 -2.764 -0.089) 2.766 18.014 ( 0.000 -2.764 0.089) 2.766 20.404 ( 0.000 15.072 -6.168) 16.286 20.404 ( 0.000 15.072 6.168) 16.286 20.919 ( 0.000 -8.952 -1.780) 9.127 20.919 ( 0.000 -8.952 1.780) 9.127 26.142 ( 0.000 1.039 -0.866) 1.353 26.142 ( 0.000 1.039 0.866) 1.353 26.362 ( 0.000 -1.399 -0.101) 1.403 26.362 ( 0.000 -1.399 0.101) 1.403 33.932 ( 0.000 7.155 -8.876) 11.401 33.932 ( 0.000 7.155 8.876) 11.401 35.148 ( 0.000 -17.580 -18.095) 25.228 35.148 ( 0.000 -17.580 18.095) 25.228 36.459 ( 0.000 2.924 -4.777) 5.601 36.459 ( 0.000 2.924 4.777) 5.601 36.661 ( 0.000 -3.876 -6.840) 7.862 36.661 ( 0.000 -3.876 6.840) 7.862 ======================= Grid point 365 (110/120) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.638 -0.849 0.000) 1.845 1.575 ( -0.361 -1.936 0.000) 1.970 2.022 ( 1.882 14.292 -0.000) 14.415 2.041 ( 2.854 13.761 0.000) 14.053 2.587 ( -1.346 -3.531 0.000) 3.779 2.606 ( 1.594 5.148 -0.000) 5.389 2.615 ( -0.144 -12.544 0.000) 12.545 2.722 ( 5.167 9.340 0.000) 10.674 3.097 ( -2.077 1.032 0.000) 2.320 3.142 ( 2.542 -1.124 -0.000) 2.779 3.241 ( 5.460 -6.157 -0.000) 8.229 3.246 ( 2.386 -7.169 0.000) 7.555 3.477 ( 4.078 5.785 0.000) 7.078 3.530 ( 5.377 3.912 0.000) 6.650 4.168 ( 0.745 6.098 -0.000) 6.143 4.219 ( 1.630 4.892 0.000) 5.156 4.653 ( -8.357 -4.382 0.000) 9.437 4.674 ( -8.059 -6.586 -0.000) 10.408 5.906 ( -1.525 1.630 -0.000) 2.232 5.989 ( 2.738 -1.719 0.000) 3.233 6.518 ( -0.700 2.830 -0.000) 2.916 6.519 ( -8.098 2.348 0.000) 8.432 6.814 ( 0.443 2.862 -0.000) 2.896 6.896 ( -1.086 7.513 0.000) 7.591 7.216 ( 6.002 -5.314 -0.000) 8.016 7.260 ( 2.006 -8.957 0.000) 9.178 7.377 ( 11.787 -1.470 0.000) 11.878 7.721 ( 19.959 -8.825 0.000) 21.823 7.960 ( -4.444 5.110 -0.000) 6.772 8.006 ( -1.724 3.552 0.000) 3.948 8.383 ( -12.444 17.730 -0.000) 21.661 8.625 ( -2.613 10.170 0.000) 10.501 8.976 ( 10.688 7.871 0.000) 13.273 9.024 ( 9.323 4.089 0.000) 10.181 9.351 ( -12.264 -10.135 0.000) 15.910 9.435 ( -12.524 -16.779 0.000) 20.938 9.872 ( 8.037 -5.027 0.000) 9.480 9.957 ( 7.974 -9.047 -0.000) 12.060 10.246 ( -4.198 7.462 0.000) 8.562 10.298 ( -4.183 5.431 -0.000) 6.855 11.518 ( -1.921 -3.351 -0.000) 3.862 11.540 ( -0.969 -4.117 0.000) 4.229 15.969 ( 0.169 1.520 0.000) 1.529 16.021 ( 1.046 -0.505 -0.000) 1.161 16.202 ( 2.025 0.073 -0.000) 2.026 16.234 ( 2.441 -1.030 0.000) 2.650 17.623 ( -7.603 4.352 0.000) 8.760 17.752 ( -6.267 -0.446 0.000) 6.283 17.944 ( -1.540 1.635 0.000) 2.246 18.037 ( -1.830 -1.687 0.000) 2.489 20.284 ( -5.190 15.399 -0.000) 16.250 20.495 ( 2.419 14.650 0.000) 14.849 20.840 ( -3.754 -10.196 0.000) 10.865 20.975 ( 1.598 -7.966 0.000) 8.125 26.149 ( 0.695 1.131 0.000) 1.327 26.156 ( 1.185 1.029 -0.000) 1.570 26.342 ( -0.995 -0.906 0.000) 1.346 26.376 ( 0.531 -2.051 0.000) 2.119 33.936 ( 0.690 6.534 -0.000) 6.571 33.951 ( 1.539 6.271 0.000) 6.458 34.994 ( -8.179 -10.401 -0.000) 13.232 35.132 ( -6.415 -17.040 0.000) 18.208 36.437 ( 4.108 2.689 0.000) 4.910 36.580 ( 8.286 -3.224 0.000) 8.891 36.718 ( 17.536 6.337 0.000) 18.645 37.163 ( 28.471 -13.563 0.000) 31.536 ======================= Grid point 367 (111/120) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -1.948 -1.363 0.000) 2.377 1.554 ( -1.543 -3.182 0.000) 3.536 2.081 ( 3.521 12.435 -0.000) 12.924 2.135 ( 6.367 9.440 0.000) 11.387 2.575 ( 0.056 -4.299 0.000) 4.299 2.600 ( -0.965 -10.917 -0.000) 10.959 2.671 ( 4.138 5.835 0.000) 7.153 2.843 ( 6.276 5.673 0.000) 8.460 3.053 ( -1.513 3.282 0.000) 3.614 3.227 ( 5.494 0.017 0.000) 5.494 3.282 ( 1.150 -6.078 -0.000) 6.186 3.391 ( 7.958 -4.441 0.000) 9.114 3.610 ( 7.699 4.410 -0.000) 8.873 3.650 ( 5.517 2.426 0.000) 6.027 4.216 ( 3.548 4.764 -0.000) 5.940 4.237 ( 0.010 2.145 0.000) 2.145 4.454 ( -10.021 -3.692 0.000) 10.679 4.494 ( -8.229 -4.147 0.000) 9.215 5.852 ( -4.291 6.184 -0.000) 7.527 6.060 ( 4.347 0.849 0.000) 4.429 6.324 ( -10.437 2.957 0.000) 10.848 6.505 ( -2.378 -1.999 0.000) 3.107 6.741 ( -8.260 -5.130 0.000) 9.724 6.776 ( -6.841 0.148 -0.000) 6.843 7.337 ( 5.198 -1.431 -0.000) 5.391 7.365 ( 3.561 5.699 0.000) 6.720 7.527 ( -0.372 5.422 0.000) 5.434 7.764 ( -9.192 15.853 0.000) 18.325 7.948 ( 5.388 1.102 0.000) 5.500 8.145 ( -7.562 10.629 0.000) 13.044 8.348 ( 23.206 -7.685 0.000) 24.445 8.698 ( 10.851 9.889 0.000) 14.681 9.043 ( -6.979 -6.081 0.000) 9.257 9.163 ( -2.626 -5.847 0.000) 6.410 9.229 ( 8.174 -3.209 0.000) 8.781 9.372 ( 9.479 -11.991 0.000) 15.285 9.955 ( -0.706 -2.187 0.000) 2.298 9.994 ( -3.450 -2.252 -0.000) 4.119 10.196 ( -3.850 4.103 -0.000) 5.627 10.243 ( 3.726 -0.029 0.000) 3.727 11.463 ( -3.237 -2.938 0.000) 4.372 11.502 ( -2.561 -4.294 0.000) 5.000 15.994 ( 1.947 0.539 0.000) 2.020 16.039 ( 0.836 -1.277 0.000) 1.526 16.252 ( 2.168 0.414 0.000) 2.207 16.279 ( 1.601 -0.582 0.000) 1.704 17.470 ( -6.599 3.000 0.000) 7.249 17.577 ( -8.655 -1.613 0.000) 8.804 17.912 ( -2.341 2.447 0.000) 3.387 17.953 ( -5.445 0.462 0.000) 5.464 20.203 ( -2.445 15.019 0.000) 15.217 20.500 ( -1.732 14.791 0.000) 14.892 20.774 ( -2.343 -10.993 0.000) 11.240 20.982 ( -0.956 -7.835 0.000) 7.893 26.165 ( 0.761 1.309 0.000) 1.515 26.185 ( 1.385 0.994 0.000) 1.705 26.324 ( -0.618 -0.618 0.000) 0.874 26.385 ( 0.300 -2.514 0.000) 2.531 33.965 ( 2.186 4.969 -0.000) 5.428 33.999 ( 2.953 4.216 0.000) 5.148 34.836 ( -6.766 -5.146 -0.000) 8.501 34.958 ( -8.592 -9.644 0.000) 12.916 36.609 ( 11.484 5.378 0.000) 12.681 36.834 ( 13.195 0.718 0.000) 13.215 37.204 ( 27.405 -1.344 0.000) 27.437 37.744 ( 25.570 -19.065 0.000) 31.896 ======================= Grid point 369 (112/120) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.968 -2.093 0.000) 2.306 1.519 ( -1.564 -3.867 0.000) 4.171 2.158 ( 3.642 8.930 0.000) 9.644 2.301 ( 8.668 3.788 0.000) 9.460 2.570 ( -0.759 -8.246 0.000) 8.281 2.590 ( 0.388 -7.678 0.000) 7.688 2.758 ( 3.620 12.148 0.000) 12.676 2.980 ( 6.233 5.740 0.000) 8.473 3.073 ( 4.532 4.177 0.000) 6.163 3.291 ( 1.357 -9.105 -0.000) 9.205 3.384 ( 8.346 4.481 0.000) 9.473 3.536 ( 5.280 -1.749 0.000) 5.562 3.748 ( 4.295 3.149 -0.000) 5.326 3.749 ( 3.885 2.049 0.000) 4.393 4.208 ( -4.028 -2.701 -0.000) 4.850 4.240 ( -9.274 -3.608 0.000) 9.951 4.297 ( 2.452 0.767 0.000) 2.570 4.348 ( -4.674 -1.085 0.000) 4.798 5.714 ( -8.199 11.979 0.000) 14.516 6.070 ( -11.430 14.198 0.000) 18.227 6.192 ( 5.892 -6.036 0.000) 8.435 6.395 ( -7.085 -2.070 0.000) 7.381 6.484 ( -14.216 -6.724 0.000) 15.726 6.689 ( -2.020 -6.525 0.000) 6.831 7.336 ( -5.554 15.484 0.000) 16.450 7.436 ( 3.679 -0.245 0.000) 3.687 7.439 ( -5.041 7.821 0.000) 9.304 7.545 ( -11.140 23.877 0.000) 26.347 8.028 ( -2.876 3.345 0.000) 4.411 8.113 ( 7.563 -2.657 0.000) 8.016 8.715 ( 9.762 -15.106 0.000) 17.986 8.824 ( -4.671 -9.138 0.000) 10.263 9.102 ( 17.921 1.257 -0.000) 17.965 9.215 ( 8.016 0.495 0.000) 8.031 9.428 ( 9.795 -0.669 0.000) 9.817 9.612 ( 10.477 -8.996 0.000) 13.809 9.881 ( -3.832 1.145 0.000) 4.000 9.925 ( -1.867 -3.394 0.000) 3.873 10.158 ( -0.560 3.699 0.000) 3.741 10.316 ( 2.316 -2.170 0.000) 3.174 11.394 ( -3.016 -2.597 0.000) 3.980 11.440 ( -3.111 -4.203 0.000) 5.229 16.036 ( 1.898 -0.162 0.000) 1.905 16.059 ( 1.065 -1.063 0.000) 1.504 16.279 ( 0.387 0.401 0.000) 0.557 16.296 ( 0.084 -0.229 0.000) 0.244 17.358 ( -3.987 1.672 0.000) 4.324 17.424 ( -5.736 -1.079 0.000) 5.837 17.838 ( -5.040 1.472 0.000) 5.251 17.846 ( -3.645 1.312 0.000) 3.874 20.180 ( 0.176 14.516 0.000) 14.517 20.437 ( -3.916 14.929 0.000) 15.434 20.746 ( -0.303 -11.135 0.000) 11.139 20.941 ( -2.774 -8.432 0.000) 8.877 26.180 ( 0.744 1.488 0.000) 1.663 26.210 ( 0.912 1.087 0.000) 1.419 26.318 ( 0.005 -0.658 0.000) 0.658 26.386 ( -0.280 -2.552 0.000) 2.567 34.026 ( 3.546 3.205 0.000) 4.779 34.070 ( 3.691 1.974 0.000) 4.186 34.713 ( -4.972 -1.910 -0.000) 5.326 34.799 ( -6.491 -4.777 0.000) 8.059 36.873 ( 12.704 8.641 0.000) 15.364 37.078 ( 9.573 5.992 0.000) 11.293 37.777 ( 25.716 -8.655 0.000) 27.133 38.193 ( 16.936 -19.623 0.000) 25.921 ======================= Grid point 371 (113/120) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.267 -3.247 0.000) 3.258 1.493 ( -0.971 -4.230 0.000) 4.340 2.232 ( 3.689 4.524 0.000) 5.838 2.401 ( -1.422 -2.408 -0.000) 2.797 2.600 ( 4.954 -1.804 0.000) 5.272 2.622 ( 2.347 -2.197 0.000) 3.215 2.822 ( 3.311 12.237 0.000) 12.677 3.036 ( -2.007 5.862 0.000) 6.196 3.253 ( 11.799 3.118 0.000) 12.204 3.390 ( 8.523 -6.072 0.000) 10.465 3.557 ( 7.366 1.598 -0.000) 7.538 3.607 ( 2.192 -1.159 0.000) 2.480 3.763 ( -2.618 0.952 0.000) 2.786 3.804 ( 1.032 1.859 0.000) 2.126 4.022 ( -11.279 -1.729 0.000) 11.411 4.031 ( -11.138 1.744 -0.000) 11.274 4.334 ( 1.778 -4.760 -0.000) 5.081 4.346 ( 1.801 -3.830 0.000) 4.232 5.575 ( -3.416 15.600 0.000) 15.969 5.812 ( -12.014 14.450 0.000) 18.792 6.222 ( -7.166 -8.362 0.000) 11.013 6.251 ( -6.206 -2.809 0.000) 6.812 6.363 ( 7.339 1.548 0.000) 7.501 6.639 ( -3.747 -5.634 0.000) 6.766 7.214 ( -4.279 20.273 0.000) 20.719 7.324 ( -9.029 24.264 0.000) 25.889 7.372 ( -0.943 4.660 0.000) 4.754 7.460 ( -1.721 -2.931 0.000) 3.399 8.033 ( 3.176 -0.174 0.000) 3.181 8.192 ( -0.359 -5.272 -0.000) 5.284 8.773 ( 0.510 -15.063 0.000) 15.071 8.813 ( 1.411 -18.302 -0.000) 18.357 9.408 ( 8.463 4.887 -0.000) 9.772 9.438 ( 10.922 4.203 0.000) 11.703 9.602 ( 6.166 2.363 0.000) 6.604 9.721 ( 0.447 -3.800 0.000) 3.826 9.882 ( 3.095 -4.676 0.000) 5.608 9.926 ( 1.276 -6.833 0.000) 6.951 10.173 ( 2.632 5.604 0.000) 6.192 10.326 ( -1.409 -0.624 0.000) 1.541 11.348 ( -1.189 -2.506 0.000) 2.774 11.381 ( -2.408 -3.648 0.000) 4.371 16.069 ( 1.215 -0.269 0.000) 1.244 16.079 ( 0.774 -0.683 0.000) 1.032 16.275 ( -0.467 0.385 0.000) 0.605 16.287 ( -0.815 -0.052 0.000) 0.817 17.303 ( -1.392 0.673 0.000) 1.546 17.335 ( -2.920 -0.630 0.000) 2.988 17.758 ( -2.438 1.246 0.000) 2.738 17.775 ( -2.822 0.641 0.000) 2.894 20.206 ( 2.159 14.341 0.000) 14.503 20.349 ( -4.272 14.771 0.000) 15.376 20.760 ( 1.573 -10.784 0.000) 10.898 20.875 ( -3.369 -9.302 0.000) 9.893 26.197 ( 0.858 1.712 0.000) 1.915 26.221 ( 0.106 1.574 0.000) 1.578 26.325 ( 0.719 -1.311 0.000) 1.496 26.372 ( -1.014 -2.339 0.000) 2.550 34.103 ( 3.459 1.575 0.000) 3.801 34.139 ( 2.396 0.391 0.000) 2.428 34.633 ( -2.388 -0.136 -0.000) 2.392 34.686 ( -4.384 -1.937 0.000) 4.793 37.105 ( 8.923 10.448 0.000) 13.740 37.219 ( 3.756 9.059 0.000) 9.807 38.228 ( 16.637 -12.497 0.000) 20.808 38.440 ( 6.466 -17.668 0.000) 18.814 ======================= Grid point 373 (114/120) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -0.733 -4.201 0.000) 4.265 1.476 ( 0.733 -4.201 0.000) 4.265 2.319 ( -4.611 0.199 0.000) 4.615 2.319 ( 4.611 0.199 -0.000) 4.615 2.661 ( -0.353 1.691 0.000) 1.728 2.661 ( 0.353 1.691 0.000) 1.728 2.931 ( -6.608 6.676 0.000) 9.393 2.931 ( 6.608 6.676 0.000) 9.393 3.479 ( -5.691 1.495 0.000) 5.884 3.479 ( 5.691 1.495 0.000) 5.884 3.672 ( -4.764 -2.471 0.000) 5.366 3.672 ( 4.764 -2.471 0.000) 5.366 3.723 ( -10.025 -6.229 -0.000) 11.802 3.723 ( 10.025 -6.229 0.000) 11.802 3.868 ( -1.140 7.644 -0.000) 7.729 3.868 ( 1.140 7.644 0.000) 7.729 4.364 ( -0.374 -5.422 0.000) 5.435 4.364 ( 0.374 -5.422 0.000) 5.435 5.608 ( -6.452 16.341 0.000) 17.569 5.608 ( 6.452 16.341 0.000) 17.569 6.162 ( -1.400 -4.637 0.000) 4.844 6.162 ( 1.400 -4.637 0.000) 4.844 6.522 ( -7.089 -1.535 0.000) 7.253 6.522 ( 7.089 -1.535 0.000) 7.253 7.196 ( -2.773 23.217 0.000) 23.382 7.196 ( 2.773 23.217 0.000) 23.382 7.399 ( -2.991 -1.340 0.000) 3.277 7.399 ( 2.991 -1.340 0.000) 3.277 8.127 ( -4.796 -4.094 0.000) 6.306 8.127 ( 4.796 -4.094 0.000) 6.306 8.807 ( -1.612 -16.946 0.000) 17.022 8.807 ( 1.612 -16.946 0.000) 17.022 9.521 ( -1.707 4.637 0.000) 4.942 9.521 ( 1.707 4.637 0.000) 4.942 9.697 ( -3.060 1.069 0.000) 3.241 9.697 ( 3.060 1.069 0.000) 3.241 9.932 ( -1.302 -7.201 0.000) 7.318 9.932 ( 1.302 -7.201 0.000) 7.318 10.260 ( -4.553 2.970 0.000) 5.437 10.260 ( 4.553 2.970 0.000) 5.437 11.345 ( -0.876 -2.918 0.000) 3.046 11.345 ( 0.876 -2.918 0.000) 3.046 16.086 ( -0.268 -0.341 0.000) 0.434 16.086 ( 0.268 -0.341 -0.000) 0.434 16.272 ( -0.333 0.154 0.000) 0.367 16.272 ( 0.333 0.154 0.000) 0.367 17.297 ( -0.783 -0.080 0.000) 0.787 17.297 ( 0.783 -0.080 0.000) 0.787 17.738 ( -0.497 0.718 0.000) 0.873 17.738 ( 0.497 0.718 0.000) 0.873 20.266 ( -3.551 14.492 0.000) 14.921 20.266 ( 3.551 14.492 0.000) 14.921 20.808 ( -2.881 -10.134 0.000) 10.535 20.808 ( 2.881 -10.134 0.000) 10.535 26.214 ( -0.666 1.861 0.000) 1.976 26.214 ( 0.666 1.861 0.000) 1.976 26.347 ( -1.251 -1.981 0.000) 2.343 26.347 ( 1.251 -1.981 0.000) 2.343 34.154 ( -1.045 0.318 0.000) 1.093 34.154 ( 1.045 0.318 0.000) 1.093 34.622 ( -1.415 -0.208 0.000) 1.430 34.622 ( 1.415 -0.208 0.000) 1.430 37.229 ( -2.801 10.493 0.000) 10.861 37.229 ( 2.801 10.493 0.000) 10.861 38.456 ( -5.055 -15.132 0.000) 15.954 38.456 ( 5.055 -15.132 0.000) 15.954 ======================= Grid point 385 (115/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 -0.000 -0.000) 0.000 2.282 ( 0.000 0.000 -0.000) 0.000 2.353 ( 0.000 -0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 -0.000 -0.000) 0.000 2.803 ( 0.000 0.000 -0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 -0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 -0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 -0.000 -0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 -0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 -0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 -0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 -0.000) 0.000 8.804 ( 0.000 0.000 -0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 -0.000) 0.000 9.544 ( 0.000 0.000 -0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 11.500 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.004 ( 0.000 0.000 0.000) 0.000 16.180 ( 0.000 0.000 0.000) 0.000 16.180 ( 0.000 0.000 0.000) 0.000 17.813 ( 0.000 0.000 0.000) 0.000 17.813 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 20.672 ( 0.000 -0.000 -0.000) 0.000 20.672 ( 0.000 -0.000 0.000) 0.000 20.717 ( 0.000 0.000 -0.000) 0.000 20.717 ( 0.000 0.000 0.000) 0.000 26.154 ( 0.000 0.000 0.000) 0.000 26.154 ( 0.000 0.000 0.000) 0.000 26.346 ( 0.000 0.000 0.000) 0.000 26.346 ( 0.000 0.000 0.000) 0.000 34.021 ( 0.000 0.000 0.000) 0.000 34.021 ( 0.000 0.000 0.000) 0.000 34.951 ( 0.000 0.000 0.000) 0.000 34.951 ( 0.000 -0.000 0.000) 0.000 36.504 ( 0.000 0.000 0.000) 0.000 36.504 ( 0.000 0.000 0.000) 0.000 36.606 ( 0.000 0.000 0.000) 0.000 36.606 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 389 (116/120) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.408 -0.923 0.000) 1.683 1.542 ( -1.408 0.923 0.000) 1.683 2.298 ( 1.266 -3.309 -0.000) 3.543 2.298 ( 1.266 3.309 -0.000) 3.543 2.356 ( 0.332 -3.366 0.000) 3.382 2.356 ( 0.332 3.366 0.000) 3.382 2.811 ( 1.187 -3.978 -0.000) 4.151 2.811 ( 1.187 3.978 0.000) 4.151 3.094 ( 2.279 -0.390 0.000) 2.313 3.094 ( 2.279 0.390 0.000) 2.313 3.160 ( 3.455 -0.851 0.000) 3.559 3.160 ( 3.455 0.851 0.000) 3.559 3.569 ( 3.882 -1.464 0.000) 4.149 3.569 ( 3.882 1.464 0.000) 4.149 4.269 ( 1.038 -1.638 -0.000) 1.940 4.269 ( 1.038 1.638 -0.000) 1.940 4.587 ( -7.796 -0.125 0.000) 7.797 4.587 ( -7.796 0.125 0.000) 7.797 5.931 ( 1.576 -2.114 -0.000) 2.636 5.931 ( 1.576 2.114 0.000) 2.636 6.581 ( -5.107 -0.114 0.000) 5.109 6.581 ( -5.107 0.114 0.000) 5.109 6.894 ( -6.861 -4.196 0.000) 8.042 6.894 ( -6.861 4.196 0.000) 8.042 7.146 ( 9.429 -1.638 0.000) 9.570 7.146 ( 9.429 1.638 0.000) 9.570 7.493 ( 20.512 -11.225 0.000) 23.383 7.493 ( 20.512 11.225 0.000) 23.383 8.034 ( -4.666 -1.377 0.000) 4.865 8.034 ( -4.666 1.377 0.000) 4.865 8.732 ( -3.662 -7.520 0.000) 8.364 8.732 ( -3.662 7.520 -0.000) 8.364 9.047 ( 6.397 -1.045 0.000) 6.482 9.047 ( 6.397 1.045 -0.000) 6.482 9.210 ( -15.050 -1.324 0.000) 15.108 9.210 ( -15.050 1.324 0.000) 15.108 9.827 ( 9.730 -1.940 0.000) 9.922 9.827 ( 9.730 1.940 0.000) 9.922 10.342 ( -4.995 -1.343 0.000) 5.172 10.342 ( -4.995 1.343 0.000) 5.172 11.486 ( -1.371 -0.609 0.000) 1.500 11.486 ( -1.371 0.609 0.000) 1.500 16.000 ( 0.001 -1.383 0.000) 1.383 16.000 ( 0.001 1.383 0.000) 1.383 16.213 ( 2.574 -0.876 0.000) 2.719 16.213 ( 2.574 0.876 0.000) 2.719 17.705 ( -8.141 -3.381 0.000) 8.815 17.705 ( -8.141 3.381 0.000) 8.815 17.993 ( -0.253 -2.470 0.000) 2.483 17.993 ( -0.253 2.470 0.000) 2.483 20.587 ( -4.646 -13.163 -0.000) 13.959 20.587 ( -4.646 13.163 0.000) 13.959 20.774 ( 2.032 -11.195 0.000) 11.378 20.774 ( 2.032 11.195 0.000) 11.378 26.165 ( 0.972 -0.256 0.000) 1.005 26.165 ( 0.972 0.256 0.000) 1.005 26.343 ( -0.295 -0.941 0.000) 0.986 26.343 ( -0.295 0.941 0.000) 0.986 34.022 ( 0.186 -0.560 0.000) 0.590 34.022 ( 0.186 0.560 0.000) 0.590 34.907 ( -3.877 -3.328 0.000) 5.109 34.907 ( -3.877 3.328 0.000) 5.109 36.503 ( 5.976 -3.549 0.000) 6.950 36.503 ( 5.976 3.549 0.000) 6.950 36.906 ( 20.945 -10.842 0.000) 23.584 36.906 ( 20.945 10.842 0.000) 23.584 ======================= Grid point 393 (117/120) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.148 -1.386 0.000) 2.557 1.503 ( -2.148 1.386 0.000) 2.557 2.322 ( 0.843 -3.768 -0.000) 3.861 2.322 ( 0.843 3.768 -0.000) 3.861 2.378 ( 2.114 -2.845 0.000) 3.544 2.378 ( 2.114 2.845 0.000) 3.544 2.872 ( 4.905 -5.740 -0.000) 7.550 2.872 ( 4.905 5.740 0.000) 7.550 3.118 ( 0.190 -3.917 -0.000) 3.922 3.118 ( 0.190 3.917 0.000) 3.922 3.293 ( 8.428 -3.371 0.000) 9.077 3.293 ( 8.428 3.371 0.000) 9.077 3.674 ( 5.739 -0.981 0.000) 5.823 3.674 ( 5.739 0.981 0.000) 5.823 4.278 ( -1.158 -0.570 -0.000) 1.291 4.278 ( -1.158 0.570 -0.000) 1.291 4.416 ( -7.254 -1.940 0.000) 7.508 4.416 ( -7.254 1.940 0.000) 7.508 5.971 ( 1.684 -5.615 0.000) 5.862 5.971 ( 1.684 5.615 0.000) 5.862 6.477 ( -4.597 -4.791 0.000) 6.640 6.477 ( -4.597 4.791 -0.000) 6.640 6.682 ( -12.545 -2.164 0.000) 12.731 6.682 ( -12.545 2.164 0.000) 12.731 7.356 ( 8.247 -3.129 0.000) 8.821 7.356 ( 8.247 3.129 0.000) 8.821 7.784 ( -0.317 -10.675 0.000) 10.680 7.784 ( -0.317 10.675 0.000) 10.680 8.052 ( 11.152 -9.957 0.000) 14.950 8.052 ( 11.152 9.957 0.000) 14.950 8.654 ( -7.290 -24.023 -0.000) 25.105 8.654 ( -7.290 24.023 0.000) 25.105 8.955 ( 1.082 -10.800 0.000) 10.854 8.955 ( 1.082 10.800 0.000) 10.854 9.255 ( 9.048 -2.407 0.000) 9.362 9.255 ( 9.048 2.407 0.000) 9.362 9.940 ( 0.543 -1.318 0.000) 1.426 9.940 ( 0.543 1.318 0.000) 1.426 10.248 ( -2.322 -0.697 0.000) 2.424 10.248 ( -2.322 0.697 0.000) 2.424 11.441 ( -2.810 -1.088 0.000) 3.013 11.441 ( -2.810 1.088 0.000) 3.013 16.012 ( 1.121 -1.146 0.000) 1.603 16.012 ( 1.121 1.146 0.000) 1.603 16.265 ( 1.987 -0.700 0.000) 2.107 16.265 ( 1.987 0.700 0.000) 2.107 17.530 ( -7.844 -2.669 0.000) 8.286 17.530 ( -7.844 2.669 0.000) 8.286 17.948 ( -3.719 -0.997 0.000) 3.850 17.948 ( -3.719 0.997 0.000) 3.850 20.509 ( -2.655 -13.795 0.000) 14.048 20.509 ( -2.655 13.795 0.000) 14.048 20.780 ( -1.337 -11.428 0.000) 11.506 20.780 ( -1.337 11.428 0.000) 11.506 26.188 ( 1.071 -0.674 0.000) 1.266 26.188 ( 1.071 0.674 0.000) 1.266 26.338 ( -0.141 -1.735 0.000) 1.741 26.338 ( -0.141 1.735 0.000) 1.741 34.036 ( 1.318 -1.085 0.000) 1.707 34.036 ( 1.318 1.085 0.000) 1.707 34.812 ( -4.768 -3.316 0.000) 5.807 34.812 ( -4.768 3.316 0.000) 5.807 36.739 ( 14.881 -6.729 0.000) 16.332 36.739 ( 14.881 6.729 0.000) 16.332 37.382 ( 23.212 -14.764 0.000) 27.509 37.382 ( 23.212 14.764 0.000) 27.509 ======================= Grid point 397 (118/120) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -1.695 -1.317 0.000) 2.146 1.461 ( -1.695 1.317 0.000) 2.146 2.329 ( -0.116 -5.862 0.000) 5.863 2.329 ( -0.116 5.862 0.000) 5.863 2.455 ( 5.445 -3.068 0.000) 6.250 2.455 ( 5.445 3.068 0.000) 6.250 3.019 ( 8.596 -8.914 -0.000) 12.383 3.019 ( 8.596 8.914 0.000) 12.383 3.113 ( -0.039 -1.691 0.000) 1.692 3.113 ( -0.039 1.691 0.000) 1.692 3.472 ( 7.820 -3.709 0.000) 8.655 3.472 ( 7.820 3.709 0.000) 8.655 3.781 ( 3.602 -0.191 0.000) 3.607 3.781 ( 3.602 0.191 0.000) 3.607 4.184 ( -6.841 -0.986 0.000) 6.912 4.184 ( -6.841 0.986 0.000) 6.912 4.322 ( -2.639 -1.387 0.000) 2.981 4.322 ( -2.639 1.387 0.000) 2.981 5.961 ( -3.176 -11.121 0.000) 11.566 5.961 ( -3.176 11.121 0.000) 11.566 6.388 ( -10.678 -1.896 -0.000) 10.845 6.388 ( -10.678 1.896 -0.000) 10.845 6.437 ( -2.456 -15.161 0.000) 15.359 6.437 ( -2.456 15.161 0.000) 15.359 7.433 ( -0.948 -0.520 0.000) 1.082 7.433 ( -0.948 0.520 0.000) 1.082 7.704 ( -4.602 -6.098 0.000) 7.640 7.704 ( -4.602 6.098 0.000) 7.640 8.216 ( 1.716 -6.571 0.000) 6.791 8.216 ( 1.716 6.571 0.000) 6.791 8.477 ( -4.663 -12.773 0.000) 13.597 8.477 ( -4.663 12.773 0.000) 13.597 9.220 ( 18.022 -4.855 0.000) 18.665 9.220 ( 18.022 4.856 0.000) 18.665 9.443 ( 8.656 -5.390 0.000) 10.197 9.443 ( 8.656 5.390 0.000) 10.197 9.887 ( -3.670 -0.219 0.000) 3.676 9.887 ( -3.670 0.219 0.000) 3.676 10.251 ( 1.407 -4.176 0.000) 4.406 10.251 ( 1.407 4.176 0.000) 4.406 11.379 ( -2.890 -1.285 0.000) 3.163 11.379 ( -2.890 1.285 0.000) 3.163 16.041 ( 1.478 -0.578 0.000) 1.587 16.041 ( 1.478 0.578 0.000) 1.587 16.289 ( 0.303 -0.450 0.000) 0.543 16.289 ( 0.303 0.450 0.000) 0.543 17.395 ( -5.021 -1.670 0.000) 5.292 17.395 ( -5.021 1.670 0.000) 5.292 17.857 ( -4.536 -0.236 0.000) 4.542 17.857 ( -4.536 0.236 0.000) 4.542 20.479 ( -0.200 -13.597 0.000) 13.598 20.479 ( -0.200 13.597 0.000) 13.598 20.727 ( -3.470 -11.927 0.000) 12.422 20.727 ( -3.470 11.927 0.000) 12.422 26.208 ( 0.954 -1.007 0.000) 1.387 26.208 ( 0.954 1.007 0.000) 1.387 26.335 ( -0.196 -2.022 0.000) 2.031 26.335 ( -0.196 2.022 0.000) 2.031 34.078 ( 2.538 -1.313 0.000) 2.858 34.078 ( 2.538 1.313 0.000) 2.858 34.718 ( -4.029 -2.441 0.000) 4.710 34.718 ( -4.029 2.441 0.000) 4.710 37.054 ( 13.903 -7.301 0.000) 15.703 37.054 ( 13.903 7.301 0.000) 15.703 37.833 ( 19.203 -12.783 0.000) 23.068 37.833 ( 19.203 12.783 0.000) 23.068 ======================= Grid point 401 (119/120) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.882 -0.798 0.000) 1.189 1.434 ( -0.882 0.798 0.000) 1.189 2.323 ( -0.386 -4.225 0.000) 4.243 2.323 ( -0.386 4.225 -0.000) 4.243 2.594 ( 7.006 -0.596 0.000) 7.031 2.594 ( 7.006 0.596 0.000) 7.031 3.057 ( -2.241 -7.326 0.000) 7.661 3.057 ( -2.241 7.326 -0.000) 7.661 3.283 ( 13.251 -1.234 0.000) 13.308 3.283 ( 13.251 1.234 0.000) 13.308 3.582 ( 2.110 -0.862 0.000) 2.279 3.582 ( 2.110 0.862 0.000) 2.279 3.792 ( -3.040 -1.979 0.000) 3.628 3.792 ( -3.040 1.979 0.000) 3.628 4.036 ( -6.601 -1.527 0.000) 6.775 4.036 ( -6.601 1.527 0.000) 6.775 4.289 ( -0.246 -0.862 0.000) 0.896 4.289 ( -0.246 0.862 0.000) 0.896 5.881 ( -2.760 -11.648 0.000) 11.971 5.881 ( -2.760 11.648 0.000) 11.971 6.145 ( -9.990 -5.912 0.000) 11.608 6.145 ( -9.990 5.912 0.000) 11.608 6.476 ( 2.945 -7.962 0.000) 8.489 6.476 ( 2.945 7.962 0.000) 8.489 7.371 ( -3.428 -3.710 0.000) 5.051 7.371 ( -3.428 3.710 0.000) 5.051 7.597 ( -5.135 -2.570 0.000) 5.742 7.597 ( -5.135 2.570 0.000) 5.742 8.181 ( -2.245 -5.123 0.000) 5.593 8.181 ( -2.245 5.123 0.000) 5.594 8.483 ( 2.371 -1.111 0.000) 2.618 8.483 ( 2.371 1.111 -0.000) 2.618 9.525 ( 8.971 -1.490 0.000) 9.094 9.525 ( 8.971 1.490 0.000) 9.094 9.616 ( 7.710 -1.532 0.000) 7.861 9.616 ( 7.710 1.532 0.000) 7.861 9.832 ( -1.277 -0.464 0.000) 1.359 9.832 ( -1.277 0.464 0.000) 1.359 10.280 ( 1.151 -3.939 0.000) 4.103 10.280 ( 1.151 3.939 0.000) 4.103 11.330 ( -1.639 -0.897 0.000) 1.868 11.330 ( -1.639 0.897 0.000) 1.868 16.069 ( 1.097 -0.261 0.000) 1.128 16.069 ( 1.097 0.261 0.000) 1.128 16.283 ( -0.633 -0.295 0.000) 0.698 16.283 ( -0.633 0.295 0.000) 0.698 17.320 ( -2.254 -0.835 0.000) 2.404 17.320 ( -2.254 0.835 0.000) 2.404 17.777 ( -2.842 -0.444 0.000) 2.876 17.777 ( -2.842 0.444 0.000) 2.876 20.497 ( 1.724 -12.588 0.000) 12.706 20.497 ( 1.724 12.588 0.000) 12.706 20.648 ( -3.834 -11.803 0.000) 12.410 20.648 ( -3.834 11.803 0.000) 12.410 26.228 ( 0.874 -0.947 0.000) 1.288 26.228 ( 0.874 0.947 0.000) 1.288 26.328 ( -0.481 -1.555 0.000) 1.628 26.328 ( -0.481 1.555 0.000) 1.628 34.132 ( 2.260 -0.992 0.000) 2.468 34.132 ( 2.260 0.992 0.000) 2.468 34.648 ( -2.529 -1.440 0.000) 2.910 34.648 ( -2.529 1.440 0.000) 2.910 37.284 ( 7.654 -4.316 0.000) 8.787 37.284 ( 7.654 4.316 0.000) 8.787 38.154 ( 10.887 -6.885 0.000) 12.881 38.154 ( 10.887 6.885 0.000) 12.881 ======================= Grid point 405 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 0.000 -0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 2.318 ( 0.000 0.000 -0.000) 0.000 2.318 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 -0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 -0.000 0.000) 0.000 3.515 ( -0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 -0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 -0.000 -0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 5.865 ( 0.000 -0.000 0.000) 0.000 5.865 ( 0.000 -0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 -0.000 0.000) 0.000 8.158 ( 0.000 -0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 -0.000 0.000) 0.000 9.612 ( 0.000 0.000 -0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 -0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 -0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 16.082 ( 0.000 0.000 -0.000) 0.000 16.082 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 -0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 0.000) 0.000 17.746 ( 0.000 0.000 0.000) 0.000 17.746 ( 0.000 0.000 0.000) 0.000 20.531 ( -0.000 -0.000 0.000) 0.000 20.531 ( 0.000 0.000 0.000) 0.000 20.591 ( 0.000 -0.000 0.000) 0.000 20.591 ( 0.000 0.000 0.000) 0.000 26.239 ( 0.000 -0.000 0.000) 0.000 26.239 ( 0.000 0.000 0.000) 0.000 26.321 ( 0.000 0.000 0.000) 0.000 26.321 ( 0.000 0.000 0.000) 0.000 34.158 ( 0.000 0.000 0.000) 0.000 34.158 ( 0.000 0.000 0.000) 0.000 34.620 ( 0.000 0.000 0.000) 0.000 34.620 ( 0.000 0.000 0.000) 0.000 37.364 ( 0.000 0.000 0.000) 0.000 37.364 ( 0.000 0.000 0.000) 0.000 38.270 ( 0.000 0.000 0.000) 0.000 38.270 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31680 10.0 694.376 799.683 1657.247 0.000 0.000 -0.000 3/31680 20.0 190.190 164.616 230.365 0.000 0.000 -0.000 3/31680 30.0 81.733 76.222 91.834 0.000 0.000 -0.000 3/31680 40.0 48.839 46.991 52.178 0.000 0.000 -0.000 3/31680 50.0 33.480 32.428 34.516 0.000 0.000 -0.000 3/31680 60.0 24.722 23.907 24.838 0.000 0.000 -0.000 3/31680 70.0 19.204 18.505 18.929 0.000 0.000 -0.000 3/31680 80.0 15.506 14.890 15.063 0.000 0.000 -0.000 3/31680 90.0 12.911 12.361 12.399 0.000 0.000 -0.000 3/31680 100.0 11.018 10.525 10.484 0.000 0.000 -0.000 3/31680 110.0 9.592 9.146 9.058 0.000 0.000 -0.000 3/31680 120.0 8.486 8.080 7.963 0.000 0.000 -0.000 3/31680 130.0 7.607 7.237 7.101 0.000 0.000 -0.000 3/31680 140.0 6.895 6.554 6.407 0.000 0.000 -0.000 3/31680 150.0 6.306 5.992 5.837 0.000 0.000 -0.000 3/31680 160.0 5.812 5.522 5.362 0.000 0.000 -0.000 3/31680 170.0 5.392 5.123 4.960 0.000 0.000 -0.000 3/31680 180.0 5.031 4.781 4.616 0.000 0.000 -0.000 3/31680 190.0 4.717 4.484 4.318 0.000 0.000 -0.000 3/31680 200.0 4.441 4.224 4.057 0.000 0.000 -0.000 3/31680 210.0 4.198 3.995 3.828 0.000 0.000 -0.000 3/31680 220.0 3.981 3.791 3.623 0.000 0.000 -0.000 3/31680 230.0 3.786 3.609 3.441 0.000 0.000 -0.000 3/31680 240.0 3.611 3.445 3.277 0.000 0.000 -0.000 3/31680 250.0 3.453 3.297 3.129 0.000 0.000 -0.000 3/31680 260.0 3.309 3.162 2.994 0.000 0.000 -0.000 3/31680 270.0 3.177 3.038 2.871 0.000 0.000 -0.000 3/31680 280.0 3.056 2.926 2.758 0.000 0.000 -0.000 3/31680 290.0 2.945 2.822 2.654 0.000 0.000 -0.000 3/31680 300.0 2.843 2.726 2.559 0.000 0.000 -0.000 3/31680 310.0 2.748 2.637 2.470 0.000 0.000 -0.000 3/31680 320.0 2.659 2.554 2.388 0.000 0.000 -0.000 3/31680 330.0 2.577 2.477 2.311 0.000 0.000 -0.000 3/31680 340.0 2.500 2.406 2.239 0.000 0.000 -0.000 3/31680 350.0 2.429 2.338 2.172 0.000 0.000 -0.000 3/31680 360.0 2.361 2.275 2.109 0.000 0.000 -0.000 3/31680 370.0 2.298 2.216 2.050 0.000 0.000 -0.000 3/31680 380.0 2.239 2.160 1.995 0.000 0.000 -0.000 3/31680 390.0 2.183 2.107 1.942 0.000 0.000 -0.000 3/31680 400.0 2.129 2.057 1.892 0.000 0.000 -0.000 3/31680 410.0 2.079 2.009 1.845 0.000 0.000 -0.000 3/31680 420.0 2.032 1.964 1.801 0.000 0.000 -0.000 3/31680 430.0 1.986 1.922 1.759 0.000 0.000 -0.000 3/31680 440.0 1.943 1.881 1.718 0.000 0.000 -0.000 3/31680 450.0 1.902 1.842 1.680 0.000 0.000 -0.000 3/31680 460.0 1.863 1.805 1.643 0.000 0.000 -0.000 3/31680 470.0 1.826 1.770 1.608 0.000 0.000 -0.000 3/31680 480.0 1.790 1.736 1.575 0.000 0.000 -0.000 3/31680 490.0 1.756 1.703 1.543 0.000 0.000 -0.000 3/31680 500.0 1.723 1.672 1.512 0.000 0.000 -0.000 3/31680 510.0 1.692 1.642 1.483 0.000 0.000 -0.000 3/31680 520.0 1.662 1.614 1.455 0.000 0.000 -0.000 3/31680 530.0 1.633 1.586 1.428 0.000 0.000 -0.000 3/31680 540.0 1.605 1.559 1.402 0.000 0.000 -0.000 3/31680 550.0 1.578 1.534 1.377 0.000 0.000 -0.000 3/31680 560.0 1.552 1.509 1.353 0.000 0.000 -0.000 3/31680 570.0 1.527 1.485 1.329 0.000 0.000 -0.000 3/31680 580.0 1.503 1.462 1.307 0.000 0.000 -0.000 3/31680 590.0 1.480 1.440 1.285 0.000 0.000 -0.000 3/31680 600.0 1.457 1.418 1.265 0.000 0.000 -0.000 3/31680 610.0 1.435 1.397 1.244 0.000 0.000 -0.000 3/31680 620.0 1.414 1.377 1.225 0.000 0.000 -0.000 3/31680 630.0 1.394 1.357 1.206 0.000 0.000 -0.000 3/31680 640.0 1.374 1.338 1.188 0.000 0.000 -0.000 3/31680 650.0 1.355 1.320 1.170 0.000 0.000 -0.000 3/31680 660.0 1.336 1.302 1.153 0.000 0.000 -0.000 3/31680 670.0 1.318 1.285 1.136 0.000 0.000 -0.000 3/31680 680.0 1.300 1.268 1.120 0.000 0.000 -0.000 3/31680 690.0 1.283 1.251 1.104 0.000 0.000 -0.000 3/31680 700.0 1.267 1.236 1.089 0.000 0.000 -0.000 3/31680 710.0 1.250 1.220 1.074 0.000 0.000 -0.000 3/31680 720.0 1.235 1.205 1.059 0.000 0.000 -0.000 3/31680 730.0 1.219 1.190 1.045 0.000 0.000 -0.000 3/31680 740.0 1.205 1.176 1.032 0.000 0.000 -0.000 3/31680 750.0 1.190 1.162 1.018 0.000 0.000 -0.000 3/31680 760.0 1.176 1.148 1.005 0.000 0.000 -0.000 3/31680 770.0 1.162 1.135 0.993 0.000 0.000 -0.000 3/31680 780.0 1.148 1.122 0.981 0.000 0.000 -0.000 3/31680 790.0 1.135 1.109 0.969 0.000 0.000 -0.000 3/31680 800.0 1.122 1.097 0.957 0.000 0.000 -0.000 3/31680 810.0 1.110 1.085 0.945 0.000 0.000 -0.000 3/31680 820.0 1.098 1.073 0.934 0.000 0.000 -0.000 3/31680 830.0 1.086 1.061 0.924 0.000 0.000 -0.000 3/31680 840.0 1.074 1.050 0.913 0.000 0.000 -0.000 3/31680 850.0 1.063 1.039 0.903 0.000 0.000 -0.000 3/31680 860.0 1.051 1.028 0.892 0.000 0.000 -0.000 3/31680 870.0 1.040 1.018 0.883 0.000 0.000 -0.000 3/31680 880.0 1.030 1.007 0.873 0.000 0.000 -0.000 3/31680 890.0 1.019 0.997 0.863 0.000 0.000 -0.000 3/31680 900.0 1.009 0.987 0.854 0.000 0.000 -0.000 3/31680 910.0 0.999 0.978 0.845 0.000 0.000 -0.000 3/31680 920.0 0.989 0.968 0.836 0.000 0.000 -0.000 3/31680 930.0 0.979 0.959 0.828 0.000 0.000 -0.000 3/31680 940.0 0.970 0.950 0.819 0.000 0.000 -0.000 3/31680 950.0 0.960 0.941 0.811 0.000 0.000 -0.000 3/31680 960.0 0.951 0.932 0.803 0.000 0.000 -0.000 3/31680 970.0 0.942 0.923 0.795 0.000 0.000 -0.000 3/31680 980.0 0.934 0.915 0.787 0.000 0.000 -0.000 3/31680 990.0 0.925 0.907 0.779 0.000 0.000 -0.000 3/31680 1000.0 0.917 0.899 0.772 0.000 0.000 -0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:58:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|