----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:16:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.519738280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.449811410000000 Atomic positions (fractional): *1 O 0.28710966283918 0.45695735425062 0.71397789483369 15.999 2 O 0.21289033716082 0.54304264574938 0.21397789483369 15.999 3 O 0.78710966283918 0.04304264574938 0.78602210516631 15.999 4 O 0.71289033716082 0.95695735425062 0.28602210516631 15.999 5 O 0.71289033716082 0.54304264574938 0.28602210516631 15.999 6 O 0.78710966283918 0.45695735425062 0.78602210516631 15.999 7 O 0.21289033716082 0.95695735425062 0.21397789483369 15.999 8 O 0.28710966283918 0.04304264574938 0.71397789483369 15.999 *9 O 0.48329237950560 0.25000000000000 0.07952699626372 15.999 10 O 0.01670762049440 0.75000000000000 0.57952699626372 15.999 11 O 0.98329237950560 0.25000000000000 0.42047300373628 15.999 12 O 0.51670762049440 0.75000000000000 0.92047300373628 15.999 *13 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 15 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 *17 Pr 0.95677630011775 0.75000000000000 0.01068807788735 140.908 18 Pr 0.54322369988225 0.25000000000000 0.51068807788736 140.908 19 Pr 0.45677630011775 0.75000000000000 0.48931192211265 140.908 20 Pr 0.04322369988225 0.25000000000000 0.98931192211264 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.519738280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.449811410000000 Atomic positions (fractional): *1 O 0.28710966283918 0.45695735425062 0.71397789483369 15.999 > 1 2 O 0.21289033716082 0.54304264574938 0.21397789483369 15.999 > 2 3 O 0.78710966283918 0.04304264574938 0.78602210516631 15.999 > 3 4 O 0.71289033716082 0.95695735425062 0.28602210516631 15.999 > 4 5 O 0.71289033716082 0.54304264574938 0.28602210516631 15.999 > 5 6 O 0.78710966283918 0.45695735425062 0.78602210516631 15.999 > 6 7 O 0.21289033716082 0.95695735425062 0.21397789483369 15.999 > 7 8 O 0.28710966283918 0.04304264574938 0.71397789483369 15.999 > 8 *9 O 0.48329237950560 0.25000000000000 0.07952699626372 15.999 > 9 10 O 0.01670762049440 0.75000000000000 0.57952699626372 15.999 > 10 11 O 0.98329237950560 0.25000000000000 0.42047300373628 15.999 > 11 12 O 0.51670762049440 0.75000000000000 0.92047300373628 15.999 > 12 *13 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 > 13 14 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 > 14 15 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 > 15 16 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 > 16 *17 Pr 0.95677630011775 0.75000000000000 0.01068807788735 140.908 > 17 18 Pr 0.54322369988225 0.25000000000000 0.51068807788736 140.908 > 18 19 Pr 0.45677630011775 0.75000000000000 0.48931192211265 140.908 > 19 20 Pr 0.04322369988225 0.25000000000000 0.98931192211264 140.908 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.039476560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899622819999999 Atomic positions (fractional): *1 O 0.14355483141959 0.45695735425062 0.35698894741684 15.999 > 1 2 O 0.64355483141959 0.45695735425062 0.35698894741684 15.999 > 1 3 O 0.14355483141959 0.45695735425062 0.85698894741684 15.999 > 1 4 O 0.64355483141959 0.45695735425062 0.85698894741684 15.999 > 1 5 O 0.10644516858041 0.54304264574938 0.10698894741684 15.999 > 2 6 O 0.60644516858041 0.54304264574938 0.10698894741684 15.999 > 2 7 O 0.10644516858041 0.54304264574938 0.60698894741684 15.999 > 2 8 O 0.60644516858041 0.54304264574938 0.60698894741684 15.999 > 2 9 O 0.39355483141959 0.04304264574938 0.39301105258316 15.999 > 3 10 O 0.89355483141959 0.04304264574938 0.39301105258316 15.999 > 3 11 O 0.39355483141959 0.04304264574938 0.89301105258316 15.999 > 3 12 O 0.89355483141959 0.04304264574938 0.89301105258316 15.999 > 3 13 O 0.35644516858041 0.95695735425062 0.14301105258316 15.999 > 4 14 O 0.85644516858041 0.95695735425062 0.14301105258316 15.999 > 4 15 O 0.35644516858041 0.95695735425062 0.64301105258316 15.999 > 4 16 O 0.85644516858041 0.95695735425062 0.64301105258316 15.999 > 4 17 O 0.35644516858041 0.54304264574938 0.14301105258316 15.999 > 5 18 O 0.85644516858041 0.54304264574938 0.14301105258316 15.999 > 5 19 O 0.35644516858041 0.54304264574938 0.64301105258316 15.999 > 5 20 O 0.85644516858041 0.54304264574938 0.64301105258316 15.999 > 5 21 O 0.39355483141959 0.45695735425062 0.39301105258316 15.999 > 6 22 O 0.89355483141959 0.45695735425062 0.39301105258316 15.999 > 6 23 O 0.39355483141959 0.45695735425062 0.89301105258316 15.999 > 6 24 O 0.89355483141959 0.45695735425062 0.89301105258316 15.999 > 6 25 O 0.10644516858041 0.95695735425062 0.10698894741684 15.999 > 7 26 O 0.60644516858041 0.95695735425062 0.10698894741684 15.999 > 7 27 O 0.10644516858041 0.95695735425062 0.60698894741684 15.999 > 7 28 O 0.60644516858041 0.95695735425062 0.60698894741684 15.999 > 7 29 O 0.14355483141959 0.04304264574938 0.35698894741684 15.999 > 8 30 O 0.64355483141959 0.04304264574938 0.35698894741684 15.999 > 8 31 O 0.14355483141959 0.04304264574938 0.85698894741684 15.999 > 8 32 O 0.64355483141959 0.04304264574938 0.85698894741684 15.999 > 8 *33 O 0.24164618975280 0.25000000000000 0.03976349813186 15.999 > 9 34 O 0.74164618975280 0.25000000000000 0.03976349813186 15.999 > 9 35 O 0.24164618975280 0.25000000000000 0.53976349813186 15.999 > 9 36 O 0.74164618975280 0.25000000000000 0.53976349813186 15.999 > 9 37 O 0.00835381024720 0.75000000000000 0.28976349813186 15.999 > 10 38 O 0.50835381024720 0.75000000000000 0.28976349813186 15.999 > 10 39 O 0.00835381024720 0.75000000000000 0.78976349813186 15.999 > 10 40 O 0.50835381024720 0.75000000000000 0.78976349813186 15.999 > 10 41 O 0.49164618975280 0.25000000000000 0.21023650186814 15.999 > 11 42 O 0.99164618975280 0.25000000000000 0.21023650186814 15.999 > 11 43 O 0.49164618975280 0.25000000000000 0.71023650186814 15.999 > 11 44 O 0.99164618975280 0.25000000000000 0.71023650186814 15.999 > 11 45 O 0.25835381024720 0.75000000000000 0.46023650186814 15.999 > 12 46 O 0.75835381024720 0.75000000000000 0.46023650186814 15.999 > 12 47 O 0.25835381024720 0.75000000000000 0.96023650186814 15.999 > 12 48 O 0.75835381024720 0.75000000000000 0.96023650186814 15.999 > 12 *49 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 13 50 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 13 51 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 13 52 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 13 53 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 14 54 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 14 55 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 14 56 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 14 57 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 15 58 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 15 59 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 15 60 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 15 61 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 16 62 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 16 63 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 16 64 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 16 *65 Pr 0.47838815005888 0.75000000000000 0.00534403894368 140.908 > 17 66 Pr 0.97838815005888 0.75000000000000 0.00534403894368 140.908 > 17 67 Pr 0.47838815005888 0.75000000000000 0.50534403894368 140.908 > 17 68 Pr 0.97838815005888 0.75000000000000 0.50534403894368 140.908 > 17 69 Pr 0.27161184994112 0.25000000000000 0.25534403894368 140.908 > 18 70 Pr 0.77161184994112 0.25000000000000 0.25534403894368 140.908 > 18 71 Pr 0.27161184994112 0.25000000000000 0.75534403894368 140.908 > 18 72 Pr 0.77161184994112 0.25000000000000 0.75534403894368 140.908 > 18 73 Pr 0.22838815005888 0.75000000000000 0.24465596105632 140.908 > 19 74 Pr 0.72838815005888 0.75000000000000 0.24465596105632 140.908 > 19 75 Pr 0.22838815005888 0.75000000000000 0.74465596105632 140.908 > 19 76 Pr 0.72838815005888 0.75000000000000 0.74465596105632 140.908 > 19 77 Pr 0.02161184994112 0.25000000000000 0.49465596105632 140.908 > 20 78 Pr 0.52161184994112 0.25000000000000 0.49465596105632 140.908 > 20 79 Pr 0.02161184994112 0.25000000000000 0.99465596105632 140.908 > 20 80 Pr 0.52161184994112 0.25000000000000 0.99465596105632 140.908 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8934652 0.0000000 0.0000000 0.0000000 4.8003744 0.0000000 0.0000000 0.0000000 4.9815296 -------------------------- Born effective charges -------------------------- 1 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 2 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 3 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 4 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 5 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 6 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 7 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 8 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 9 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 10 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 11 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 12 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 13 Ga 3.3186429 0.1048776 0.1120284 0.0118891 3.3591779 -0.1162659 0.0820386 -0.0525555 3.3215355 14 Ga 3.3186429 0.1048776 -0.1120284 0.0118891 3.3591779 0.1162659 -0.0820386 0.0525555 3.3215355 15 Ga 3.3186429 -0.1048776 -0.1120284 -0.0118891 3.3591779 -0.1162659 -0.0820386 -0.0525555 3.3215355 16 Ga 3.3186429 -0.1048776 0.1120284 -0.0118891 3.3591779 0.1162659 0.0820386 0.0525555 3.3215355 17 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 18 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 19 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 20 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.725 Solver_block: 200 / 320 - Time: 0.726 Solver_block: 300 / 320 - Time: 0.725 Solver_block: 320 / 320 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.374 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 20:16:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.519738280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.449811410000000 Atomic positions (fractional): 1 O 0.28710966283918 0.45695735425062 0.71397789483369 15.999 2 O 0.21289033716082 0.54304264574938 0.21397789483369 15.999 3 O 0.78710966283918 0.04304264574938 0.78602210516631 15.999 4 O 0.71289033716082 0.95695735425062 0.28602210516631 15.999 5 O 0.71289033716082 0.54304264574938 0.28602210516631 15.999 6 O 0.78710966283918 0.45695735425062 0.78602210516631 15.999 7 O 0.21289033716082 0.95695735425062 0.21397789483369 15.999 8 O 0.28710966283918 0.04304264574938 0.71397789483369 15.999 9 O 0.48329237950560 0.25000000000000 0.07952699626372 15.999 10 O 0.01670762049440 0.75000000000000 0.57952699626372 15.999 11 O 0.98329237950560 0.25000000000000 0.42047300373628 15.999 12 O 0.51670762049440 0.75000000000000 0.92047300373628 15.999 13 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 15 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 17 Pr 0.95677630011775 0.75000000000000 0.01068807788735 140.908 18 Pr 0.54322369988225 0.25000000000000 0.51068807788736 140.908 19 Pr 0.45677630011775 0.75000000000000 0.48931192211265 140.908 20 Pr 0.04322369988225 0.25000000000000 0.98931192211264 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.039476560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899622819999999 Atomic positions (fractional): 1 O 0.14355483141959 0.45695735425062 0.35698894741684 15.999 > 1 2 O 0.64355483141959 0.45695735425062 0.35698894741684 15.999 > 1 3 O 0.14355483141959 0.45695735425062 0.85698894741684 15.999 > 1 4 O 0.64355483141959 0.45695735425062 0.85698894741684 15.999 > 1 5 O 0.10644516858041 0.54304264574938 0.10698894741684 15.999 > 5 6 O 0.60644516858041 0.54304264574938 0.10698894741684 15.999 > 5 7 O 0.10644516858041 0.54304264574938 0.60698894741684 15.999 > 5 8 O 0.60644516858041 0.54304264574938 0.60698894741684 15.999 > 5 9 O 0.39355483141959 0.04304264574938 0.39301105258316 15.999 > 9 10 O 0.89355483141959 0.04304264574938 0.39301105258316 15.999 > 9 11 O 0.39355483141959 0.04304264574938 0.89301105258316 15.999 > 9 12 O 0.89355483141959 0.04304264574938 0.89301105258316 15.999 > 9 13 O 0.35644516858041 0.95695735425062 0.14301105258316 15.999 > 13 14 O 0.85644516858041 0.95695735425062 0.14301105258316 15.999 > 13 15 O 0.35644516858041 0.95695735425062 0.64301105258316 15.999 > 13 16 O 0.85644516858041 0.95695735425062 0.64301105258316 15.999 > 13 17 O 0.35644516858041 0.54304264574938 0.14301105258316 15.999 > 17 18 O 0.85644516858041 0.54304264574938 0.14301105258316 15.999 > 17 19 O 0.35644516858041 0.54304264574938 0.64301105258316 15.999 > 17 20 O 0.85644516858041 0.54304264574938 0.64301105258316 15.999 > 17 21 O 0.39355483141959 0.45695735425062 0.39301105258316 15.999 > 21 22 O 0.89355483141959 0.45695735425062 0.39301105258316 15.999 > 21 23 O 0.39355483141959 0.45695735425062 0.89301105258316 15.999 > 21 24 O 0.89355483141959 0.45695735425062 0.89301105258316 15.999 > 21 25 O 0.10644516858041 0.95695735425062 0.10698894741684 15.999 > 25 26 O 0.60644516858041 0.95695735425062 0.10698894741684 15.999 > 25 27 O 0.10644516858041 0.95695735425062 0.60698894741684 15.999 > 25 28 O 0.60644516858041 0.95695735425062 0.60698894741684 15.999 > 25 29 O 0.14355483141959 0.04304264574938 0.35698894741684 15.999 > 29 30 O 0.64355483141959 0.04304264574938 0.35698894741684 15.999 > 29 31 O 0.14355483141959 0.04304264574938 0.85698894741684 15.999 > 29 32 O 0.64355483141959 0.04304264574938 0.85698894741684 15.999 > 29 33 O 0.24164618975280 0.25000000000000 0.03976349813186 15.999 > 33 34 O 0.74164618975280 0.25000000000000 0.03976349813186 15.999 > 33 35 O 0.24164618975280 0.25000000000000 0.53976349813186 15.999 > 33 36 O 0.74164618975280 0.25000000000000 0.53976349813186 15.999 > 33 37 O 0.00835381024720 0.75000000000000 0.28976349813186 15.999 > 37 38 O 0.50835381024720 0.75000000000000 0.28976349813186 15.999 > 37 39 O 0.00835381024720 0.75000000000000 0.78976349813186 15.999 > 37 40 O 0.50835381024720 0.75000000000000 0.78976349813186 15.999 > 37 41 O 0.49164618975280 0.25000000000000 0.21023650186814 15.999 > 41 42 O 0.99164618975280 0.25000000000000 0.21023650186814 15.999 > 41 43 O 0.49164618975280 0.25000000000000 0.71023650186814 15.999 > 41 44 O 0.99164618975280 0.25000000000000 0.71023650186814 15.999 > 41 45 O 0.25835381024720 0.75000000000000 0.46023650186814 15.999 > 45 46 O 0.75835381024720 0.75000000000000 0.46023650186814 15.999 > 45 47 O 0.25835381024720 0.75000000000000 0.96023650186814 15.999 > 45 48 O 0.75835381024720 0.75000000000000 0.96023650186814 15.999 > 45 49 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 49 50 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 49 51 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 49 52 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 49 53 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 53 54 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 53 55 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 53 56 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 53 57 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 57 58 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 57 59 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 57 60 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 57 61 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 61 62 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 61 63 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 61 64 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 61 65 Pr 0.47838815005888 0.75000000000000 0.00534403894368 140.908 > 65 66 Pr 0.97838815005888 0.75000000000000 0.00534403894368 140.908 > 65 67 Pr 0.47838815005888 0.75000000000000 0.50534403894368 140.908 > 65 68 Pr 0.97838815005888 0.75000000000000 0.50534403894368 140.908 > 65 69 Pr 0.27161184994112 0.25000000000000 0.25534403894368 140.908 > 69 70 Pr 0.77161184994112 0.25000000000000 0.25534403894368 140.908 > 69 71 Pr 0.27161184994112 0.25000000000000 0.75534403894368 140.908 > 69 72 Pr 0.77161184994112 0.25000000000000 0.75534403894368 140.908 > 69 73 Pr 0.22838815005888 0.75000000000000 0.24465596105632 140.908 > 73 74 Pr 0.72838815005888 0.75000000000000 0.24465596105632 140.908 > 73 75 Pr 0.22838815005888 0.75000000000000 0.74465596105632 140.908 > 73 76 Pr 0.72838815005888 0.75000000000000 0.74465596105632 140.908 > 73 77 Pr 0.02161184994112 0.25000000000000 0.49465596105632 140.908 > 77 78 Pr 0.52161184994112 0.25000000000000 0.49465596105632 140.908 > 77 79 Pr 0.02161184994112 0.25000000000000 0.99465596105632 140.908 > 77 80 Pr 0.52161184994112 0.25000000000000 0.99465596105632 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8934652 0.0000000 0.0000000 0.0000000 4.8003744 0.0000000 0.0000000 0.0000000 4.9815296 -------------------------- Born effective charges -------------------------- 1 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 2 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 3 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 4 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 5 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 6 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 7 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 8 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 9 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 10 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 11 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 12 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 13 Ga 3.3186429 0.1048776 0.1120284 0.0118891 3.3591779 -0.1162659 0.0820386 -0.0525555 3.3215355 14 Ga 3.3186429 0.1048776 -0.1120284 0.0118891 3.3591779 0.1162659 -0.0820386 0.0525555 3.3215355 15 Ga 3.3186429 -0.1048776 -0.1120284 -0.0118891 3.3591779 -0.1162659 -0.0820386 -0.0525555 3.3215355 16 Ga 3.3186429 -0.1048776 0.1120284 -0.0118891 3.3591779 0.1162659 0.0820386 0.0525555 3.3215355 17 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 18 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 19 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 20 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) 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 20:16:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.519738280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.449811410000000 Atomic positions (fractional): 1 O 0.28710966283918 0.45695735425062 0.71397789483369 15.999 2 O 0.21289033716082 0.54304264574938 0.21397789483369 15.999 3 O 0.78710966283918 0.04304264574938 0.78602210516631 15.999 4 O 0.71289033716082 0.95695735425062 0.28602210516631 15.999 5 O 0.71289033716082 0.54304264574938 0.28602210516631 15.999 6 O 0.78710966283918 0.45695735425062 0.78602210516631 15.999 7 O 0.21289033716082 0.95695735425062 0.21397789483369 15.999 8 O 0.28710966283918 0.04304264574938 0.71397789483369 15.999 9 O 0.48329237950560 0.25000000000000 0.07952699626372 15.999 10 O 0.01670762049440 0.75000000000000 0.57952699626372 15.999 11 O 0.98329237950560 0.25000000000000 0.42047300373628 15.999 12 O 0.51670762049440 0.75000000000000 0.92047300373628 15.999 13 Ga 0.00000000000000 0.50000000000000 0.50000000000000 69.723 14 Ga 0.50000000000000 0.50000000000000 0.00000000000000 69.723 15 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 16 Ga 0.00000000000000 0.00000000000000 0.50000000000000 69.723 17 Pr 0.95677630011775 0.75000000000000 0.01068807788735 140.908 18 Pr 0.54322369988225 0.25000000000000 0.51068807788736 140.908 19 Pr 0.45677630011775 0.75000000000000 0.48931192211265 140.908 20 Pr 0.04322369988225 0.25000000000000 0.98931192211264 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.039476560000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.737744000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.899622819999999 Atomic positions (fractional): 1 O 0.14355483141959 0.45695735425062 0.35698894741684 15.999 > 1 2 O 0.64355483141959 0.45695735425062 0.35698894741684 15.999 > 1 3 O 0.14355483141959 0.45695735425062 0.85698894741684 15.999 > 1 4 O 0.64355483141959 0.45695735425062 0.85698894741684 15.999 > 1 5 O 0.10644516858041 0.54304264574938 0.10698894741684 15.999 > 5 6 O 0.60644516858041 0.54304264574938 0.10698894741684 15.999 > 5 7 O 0.10644516858041 0.54304264574938 0.60698894741684 15.999 > 5 8 O 0.60644516858041 0.54304264574938 0.60698894741684 15.999 > 5 9 O 0.39355483141959 0.04304264574938 0.39301105258316 15.999 > 9 10 O 0.89355483141959 0.04304264574938 0.39301105258316 15.999 > 9 11 O 0.39355483141959 0.04304264574938 0.89301105258316 15.999 > 9 12 O 0.89355483141959 0.04304264574938 0.89301105258316 15.999 > 9 13 O 0.35644516858041 0.95695735425062 0.14301105258316 15.999 > 13 14 O 0.85644516858041 0.95695735425062 0.14301105258316 15.999 > 13 15 O 0.35644516858041 0.95695735425062 0.64301105258316 15.999 > 13 16 O 0.85644516858041 0.95695735425062 0.64301105258316 15.999 > 13 17 O 0.35644516858041 0.54304264574938 0.14301105258316 15.999 > 17 18 O 0.85644516858041 0.54304264574938 0.14301105258316 15.999 > 17 19 O 0.35644516858041 0.54304264574938 0.64301105258316 15.999 > 17 20 O 0.85644516858041 0.54304264574938 0.64301105258316 15.999 > 17 21 O 0.39355483141959 0.45695735425062 0.39301105258316 15.999 > 21 22 O 0.89355483141959 0.45695735425062 0.39301105258316 15.999 > 21 23 O 0.39355483141959 0.45695735425062 0.89301105258316 15.999 > 21 24 O 0.89355483141959 0.45695735425062 0.89301105258316 15.999 > 21 25 O 0.10644516858041 0.95695735425062 0.10698894741684 15.999 > 25 26 O 0.60644516858041 0.95695735425062 0.10698894741684 15.999 > 25 27 O 0.10644516858041 0.95695735425062 0.60698894741684 15.999 > 25 28 O 0.60644516858041 0.95695735425062 0.60698894741684 15.999 > 25 29 O 0.14355483141959 0.04304264574938 0.35698894741684 15.999 > 29 30 O 0.64355483141959 0.04304264574938 0.35698894741684 15.999 > 29 31 O 0.14355483141959 0.04304264574938 0.85698894741684 15.999 > 29 32 O 0.64355483141959 0.04304264574938 0.85698894741684 15.999 > 29 33 O 0.24164618975280 0.25000000000000 0.03976349813186 15.999 > 33 34 O 0.74164618975280 0.25000000000000 0.03976349813186 15.999 > 33 35 O 0.24164618975280 0.25000000000000 0.53976349813186 15.999 > 33 36 O 0.74164618975280 0.25000000000000 0.53976349813186 15.999 > 33 37 O 0.00835381024720 0.75000000000000 0.28976349813186 15.999 > 37 38 O 0.50835381024720 0.75000000000000 0.28976349813186 15.999 > 37 39 O 0.00835381024720 0.75000000000000 0.78976349813186 15.999 > 37 40 O 0.50835381024720 0.75000000000000 0.78976349813186 15.999 > 37 41 O 0.49164618975280 0.25000000000000 0.21023650186814 15.999 > 41 42 O 0.99164618975280 0.25000000000000 0.21023650186814 15.999 > 41 43 O 0.49164618975280 0.25000000000000 0.71023650186814 15.999 > 41 44 O 0.99164618975280 0.25000000000000 0.71023650186814 15.999 > 41 45 O 0.25835381024720 0.75000000000000 0.46023650186814 15.999 > 45 46 O 0.75835381024720 0.75000000000000 0.46023650186814 15.999 > 45 47 O 0.25835381024720 0.75000000000000 0.96023650186814 15.999 > 45 48 O 0.75835381024720 0.75000000000000 0.96023650186814 15.999 > 45 49 Ga 0.00000000000000 0.50000000000000 0.25000000000000 69.723 > 49 50 Ga 0.50000000000000 0.50000000000000 0.25000000000000 69.723 > 49 51 Ga 0.00000000000000 0.50000000000000 0.75000000000000 69.723 > 49 52 Ga 0.50000000000000 0.50000000000000 0.75000000000000 69.723 > 49 53 Ga 0.25000000000000 0.50000000000000 0.00000000000000 69.723 > 53 54 Ga 0.75000000000000 0.50000000000000 0.00000000000000 69.723 > 53 55 Ga 0.25000000000000 0.50000000000000 0.50000000000000 69.723 > 53 56 Ga 0.75000000000000 0.50000000000000 0.50000000000000 69.723 > 53 57 Ga 0.25000000000000 0.00000000000000 0.00000000000000 69.723 > 57 58 Ga 0.75000000000000 0.00000000000000 0.00000000000000 69.723 > 57 59 Ga 0.25000000000000 0.00000000000000 0.50000000000000 69.723 > 57 60 Ga 0.75000000000000 0.00000000000000 0.50000000000000 69.723 > 57 61 Ga 0.00000000000000 0.00000000000000 0.25000000000000 69.723 > 61 62 Ga 0.50000000000000 0.00000000000000 0.25000000000000 69.723 > 61 63 Ga 0.00000000000000 0.00000000000000 0.75000000000000 69.723 > 61 64 Ga 0.50000000000000 0.00000000000000 0.75000000000000 69.723 > 61 65 Pr 0.47838815005888 0.75000000000000 0.00534403894368 140.908 > 65 66 Pr 0.97838815005888 0.75000000000000 0.00534403894368 140.908 > 65 67 Pr 0.47838815005888 0.75000000000000 0.50534403894368 140.908 > 65 68 Pr 0.97838815005888 0.75000000000000 0.50534403894368 140.908 > 65 69 Pr 0.27161184994112 0.25000000000000 0.25534403894368 140.908 > 69 70 Pr 0.77161184994112 0.25000000000000 0.25534403894368 140.908 > 69 71 Pr 0.27161184994112 0.25000000000000 0.75534403894368 140.908 > 69 72 Pr 0.77161184994112 0.25000000000000 0.75534403894368 140.908 > 69 73 Pr 0.22838815005888 0.75000000000000 0.24465596105632 140.908 > 73 74 Pr 0.72838815005888 0.75000000000000 0.24465596105632 140.908 > 73 75 Pr 0.22838815005888 0.75000000000000 0.74465596105632 140.908 > 73 76 Pr 0.72838815005888 0.75000000000000 0.74465596105632 140.908 > 73 77 Pr 0.02161184994112 0.25000000000000 0.49465596105632 140.908 > 77 78 Pr 0.52161184994112 0.25000000000000 0.49465596105632 140.908 > 77 79 Pr 0.02161184994112 0.25000000000000 0.99465596105632 140.908 > 77 80 Pr 0.52161184994112 0.25000000000000 0.99465596105632 140.908 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8934652 0.0000000 0.0000000 0.0000000 4.8003744 0.0000000 0.0000000 0.0000000 4.9815296 -------------------------- Born effective charges -------------------------- 1 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 2 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 3 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 4 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 5 O -2.5936565 0.0678382 -0.1605677 0.1116611 -2.2954569 0.0848125 -0.1344736 0.1197591 -2.5305372 6 O -2.5936565 0.0678382 0.1605677 0.1116611 -2.2954569 -0.0848125 0.1344736 -0.1197591 -2.5305372 7 O -2.5936565 -0.0678382 0.1605677 -0.1116611 -2.2954569 0.0848125 0.1344736 0.1197591 -2.5305372 8 O -2.5936565 -0.0678382 -0.1605677 -0.1116611 -2.2954569 -0.0848125 -0.1344736 -0.1197591 -2.5305372 9 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 10 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 11 O -2.2218824 0.0000000 0.2182675 0.0000000 -2.6638120 0.0000000 0.2716164 0.0000000 -2.5441555 12 O -2.2218824 0.0000000 -0.2182675 0.0000000 -2.6638120 0.0000000 -0.2716164 0.0000000 -2.5441555 13 Ga 3.3186429 0.1048776 0.1120284 0.0118891 3.3591779 -0.1162659 0.0820386 -0.0525555 3.3215355 14 Ga 3.3186429 0.1048776 -0.1120284 0.0118891 3.3591779 0.1162659 -0.0820386 0.0525555 3.3215355 15 Ga 3.3186429 -0.1048776 -0.1120284 -0.0118891 3.3591779 -0.1162659 -0.0820386 -0.0525555 3.3215355 16 Ga 3.3186429 -0.1048776 0.1120284 -0.0118891 3.3591779 0.1162659 0.0820386 0.0525555 3.3215355 17 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 18 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 19 Pr 4.0905525 0.0000000 -0.0540844 0.0000000 3.8955480 0.0000000 -0.2505627 0.0000000 4.2836943 20 Pr 4.0905525 0.0000000 0.0540844 0.0000000 3.8955480 0.0000000 0.2505627 0.0000000 4.2836943 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 319, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 6.672 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.798 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.463 ( 0.000 0.000 0.000) 0.000 8.484 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.599 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.099 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.504 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 11.011 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 12.491 ( 0.000 0.000 0.000) 0.000 12.891 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 15.015 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.392 ( 0.000 0.000 0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 16.794 ( 0.000 0.000 0.000) 0.000 17.382 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 19.435 ( 0.000 0.000 0.000) 0.000 20.157 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 30.972 0.000 0.000) 30.972 0.756 ( 37.007 0.000 0.000) 37.007 1.048 ( 47.393 0.000 0.000) 47.393 2.779 ( 2.859 0.000 0.000) 2.859 2.845 ( 4.898 0.000 0.000) 4.898 3.325 ( 2.013 0.000 0.000) 2.013 3.471 ( -2.838 0.000 0.000) 2.838 3.567 ( -3.443 0.000 0.000) 3.443 4.301 ( -9.024 0.000 0.000) 9.024 4.414 ( -22.229 0.000 0.000) 22.229 4.435 ( -2.053 0.000 0.000) 2.053 4.515 ( -12.041 0.000 0.000) 12.041 4.970 ( 4.482 0.000 0.000) 4.482 5.157 ( -1.260 0.000 0.000) 1.260 5.332 ( 9.575 0.000 0.000) 9.575 5.476 ( -5.593 0.000 0.000) 5.593 5.508 ( 19.544 0.000 0.000) 19.544 5.588 ( 1.322 0.000 0.000) 1.322 5.971 ( 17.778 0.000 0.000) 17.778 6.691 ( 1.238 0.000 0.000) 1.238 6.701 ( 2.893 0.000 0.000) 2.893 7.149 ( -0.573 0.000 0.000) 0.573 7.409 ( -1.725 0.000 0.000) 1.725 7.696 ( -2.702 0.000 0.000) 2.702 7.828 ( 2.308 0.000 0.000) 2.308 8.060 ( 1.654 0.000 0.000) 1.654 8.319 ( -2.652 0.000 0.000) 2.652 8.468 ( -1.158 0.000 0.000) 1.158 8.532 ( -6.218 0.000 0.000) 6.218 8.557 ( 6.290 0.000 0.000) 6.290 8.822 ( -1.213 0.000 0.000) 1.213 9.147 ( 3.204 0.000 0.000) 3.204 9.581 ( -2.218 0.000 0.000) 2.218 9.984 ( 3.664 0.000 0.000) 3.664 10.027 ( -6.534 0.000 0.000) 6.534 10.205 ( 10.336 0.000 0.000) 10.336 10.328 ( -1.203 0.000 0.000) 1.203 10.485 ( -1.908 0.000 0.000) 1.908 10.549 ( -9.702 0.000 0.000) 9.702 11.213 ( 14.854 0.000 0.000) 14.854 11.640 ( -9.253 0.000 0.000) 9.253 11.724 ( 9.824 0.000 0.000) 9.824 11.850 ( 21.643 0.000 0.000) 21.643 12.514 ( 19.900 0.000 0.000) 19.900 12.847 ( -4.632 0.000 0.000) 4.632 13.187 ( -6.074 0.000 0.000) 6.074 13.257 ( 7.562 0.000 0.000) 7.562 13.589 ( 2.012 0.000 0.000) 2.012 14.328 ( 1.673 0.000 0.000) 1.673 15.042 ( 2.625 0.000 0.000) 2.625 15.698 ( -2.794 0.000 0.000) 2.794 15.831 ( -21.776 0.000 0.000) 21.776 15.968 ( 3.153 0.000 0.000) 3.153 16.660 ( -7.755 0.000 0.000) 7.755 16.767 ( -2.205 0.000 0.000) 2.205 17.300 ( -8.185 0.000 0.000) 8.185 18.240 ( 18.600 0.000 0.000) 18.600 18.589 ( 2.599 0.000 0.000) 2.599 19.412 ( -2.277 0.000 0.000) 2.277 20.135 ( -2.197 0.000 0.000) 2.197 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 28.999 0.000 0.000) 28.999 1.475 ( 33.976 0.000 0.000) 33.976 1.803 ( 26.000 0.000 0.000) 26.000 2.852 ( 3.923 0.000 0.000) 3.923 3.030 ( 12.472 0.000 0.000) 12.472 3.336 ( -2.199 0.000 0.000) 2.199 3.445 ( 1.455 0.000 0.000) 1.455 3.483 ( -3.631 0.000 0.000) 3.631 4.000 ( -18.141 0.000 0.000) 18.141 4.073 ( -12.904 0.000 0.000) 12.904 4.199 ( -17.838 0.000 0.000) 17.838 4.370 ( -4.484 0.000 0.000) 4.484 5.033 ( 0.528 0.000 0.000) 0.528 5.073 ( -5.589 0.000 0.000) 5.589 5.348 ( -5.163 0.000 0.000) 5.163 5.606 ( 17.133 0.000 0.000) 17.133 5.670 ( 7.726 0.000 0.000) 7.726 5.915 ( 19.510 0.000 0.000) 19.510 6.407 ( 22.953 0.000 0.000) 22.953 6.747 ( 4.057 0.000 0.000) 4.057 6.773 ( 3.056 0.000 0.000) 3.056 7.160 ( 1.932 0.000 0.000) 1.932 7.327 ( -6.393 0.000 0.000) 6.393 7.621 ( -4.687 0.000 0.000) 4.687 7.848 ( -1.163 0.000 0.000) 1.163 8.096 ( 1.511 0.000 0.000) 1.511 8.232 ( -6.375 0.000 0.000) 6.375 8.368 ( -9.658 0.000 0.000) 9.658 8.473 ( 2.774 0.000 0.000) 2.774 8.671 ( 4.840 0.000 0.000) 4.840 8.785 ( -2.245 0.000 0.000) 2.245 9.247 ( 6.312 0.000 0.000) 6.312 9.495 ( -6.540 0.000 0.000) 6.540 9.882 ( -7.041 0.000 0.000) 7.041 10.061 ( 3.103 0.000 0.000) 3.103 10.286 ( -2.021 0.000 0.000) 2.021 10.362 ( -8.687 0.000 0.000) 8.687 10.428 ( -3.636 0.000 0.000) 3.636 10.520 ( 19.705 0.000 0.000) 19.705 11.510 ( -2.861 0.000 0.000) 2.861 11.524 ( 15.226 0.000 0.000) 15.226 11.983 ( 14.047 0.000 0.000) 14.047 12.467 ( 38.529 0.000 0.000) 38.529 12.709 ( -8.508 0.000 0.000) 8.508 12.860 ( 10.023 0.000 0.000) 10.023 13.040 ( -6.988 0.000 0.000) 6.988 13.473 ( 13.194 0.000 0.000) 13.194 13.770 ( 19.679 0.000 0.000) 19.679 14.358 ( 0.909 0.000 0.000) 0.909 15.115 ( 4.419 0.000 0.000) 4.419 15.290 ( -30.202 0.000 0.000) 30.202 15.623 ( -4.421 0.000 0.000) 4.421 16.028 ( 0.772 0.000 0.000) 0.772 16.440 ( -12.496 0.000 0.000) 12.496 16.714 ( -3.095 0.000 0.000) 3.095 17.048 ( -17.010 0.000 0.000) 17.010 18.667 ( 5.067 0.000 0.000) 5.067 18.671 ( 22.502 0.000 0.000) 22.502 19.344 ( -4.413 0.000 0.000) 4.413 20.066 ( -4.715 0.000 0.000) 4.715 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 25.331 0.000 0.000) 25.331 2.103 ( 27.884 0.000 0.000) 27.884 2.157 ( 12.501 0.000 0.000) 12.501 2.910 ( 0.890 0.000 0.000) 0.890 3.131 ( -4.993 0.000 0.000) 4.993 3.282 ( -2.849 0.000 0.000) 2.849 3.435 ( -5.391 0.000 0.000) 5.391 3.513 ( 4.658 0.000 0.000) 4.658 3.707 ( -10.503 0.000 0.000) 10.503 3.814 ( -11.896 0.000 0.000) 11.896 3.910 ( -6.734 0.000 0.000) 6.734 4.254 ( -6.979 0.000 0.000) 6.979 4.958 ( -5.356 0.000 0.000) 5.356 4.985 ( -4.422 0.000 0.000) 4.422 5.380 ( 10.908 0.000 0.000) 10.908 5.898 ( 14.068 0.000 0.000) 14.068 5.994 ( 20.558 0.000 0.000) 20.558 6.256 ( 12.960 0.000 0.000) 12.960 6.728 ( -10.554 0.000 0.000) 10.554 6.813 ( 0.936 0.000 0.000) 0.936 6.818 ( 16.970 0.000 0.000) 16.970 7.212 ( -2.471 0.000 0.000) 2.471 7.214 ( 2.734 0.000 0.000) 2.734 7.506 ( -6.884 0.000 0.000) 6.884 7.798 ( -2.262 0.000 0.000) 2.262 8.089 ( -6.367 0.000 0.000) 6.367 8.106 ( -0.749 0.000 0.000) 0.749 8.160 ( -10.623 0.000 0.000) 10.623 8.595 ( 9.026 0.000 0.000) 9.026 8.744 ( 2.203 0.000 0.000) 2.203 8.748 ( -1.068 0.000 0.000) 1.068 9.319 ( -10.666 0.000 0.000) 10.666 9.385 ( 7.109 0.000 0.000) 7.109 9.756 ( -5.680 0.000 0.000) 5.680 10.089 ( -0.196 0.000 0.000) 0.196 10.205 ( -6.645 0.000 0.000) 6.645 10.248 ( -1.400 0.000 0.000) 1.400 10.347 ( -4.102 0.000 0.000) 4.102 10.975 ( 24.579 0.000 0.000) 24.579 11.532 ( 4.757 0.000 0.000) 4.757 11.787 ( 9.357 0.000 0.000) 9.357 12.148 ( -1.854 0.000 0.000) 1.854 12.547 ( -5.908 0.000 0.000) 5.908 12.884 ( -5.255 0.000 0.000) 5.255 13.034 ( 10.185 0.000 0.000) 10.185 13.343 ( 46.845 0.000 0.000) 46.845 13.758 ( 14.355 0.000 0.000) 14.355 14.313 ( 7.198 0.000 0.000) 7.198 14.415 ( 28.055 0.000 0.000) 28.055 14.658 ( -31.845 0.000 0.000) 31.845 15.213 ( 5.096 0.000 0.000) 5.096 15.529 ( -4.647 0.000 0.000) 4.647 15.806 ( -24.303 0.000 0.000) 24.303 16.330 ( 2.634 0.000 0.000) 2.634 16.612 ( -26.352 0.000 0.000) 26.352 16.640 ( -4.226 0.000 0.000) 4.226 18.789 ( 6.974 0.000 0.000) 6.974 19.106 ( 20.145 0.000 0.000) 20.145 19.236 ( -6.245 0.000 0.000) 6.245 19.941 ( -7.804 0.000 0.000) 7.804 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 16.841 0.000 0.000) 16.841 2.357 ( 5.152 0.000 0.000) 5.152 2.577 ( 18.761 0.000 0.000) 18.761 2.847 ( -7.948 0.000 0.000) 7.948 2.989 ( -4.435 0.000 0.000) 4.435 3.100 ( -13.287 0.000 0.000) 13.287 3.390 ( 3.780 0.000 0.000) 3.780 3.502 ( -5.234 0.000 0.000) 5.234 3.584 ( -1.782 0.000 0.000) 1.782 3.628 ( -5.989 0.000 0.000) 5.989 3.941 ( 6.559 0.000 0.000) 6.559 4.098 ( -8.242 0.000 0.000) 8.242 4.881 ( -1.739 0.000 0.000) 1.739 4.898 ( -3.256 0.000 0.000) 3.256 5.782 ( 26.301 0.000 0.000) 26.301 6.188 ( 13.403 0.000 0.000) 13.403 6.295 ( -14.576 0.000 0.000) 14.576 6.369 ( -2.625 0.000 0.000) 2.625 6.451 ( 8.250 0.000 0.000) 8.250 6.726 ( -10.181 0.000 0.000) 10.181 7.103 ( 12.444 0.000 0.000) 12.444 7.225 ( 1.898 0.000 0.000) 1.898 7.246 ( 0.207 0.000 0.000) 0.207 7.335 ( -10.208 0.000 0.000) 10.208 7.816 ( 4.459 0.000 0.000) 4.459 7.958 ( -9.015 0.000 0.000) 9.015 8.025 ( 0.256 0.000 0.000) 0.256 8.067 ( -2.788 0.000 0.000) 2.788 8.746 ( 0.668 0.000 0.000) 0.668 8.760 ( -0.324 0.000 0.000) 0.324 8.817 ( 12.499 0.000 0.000) 12.499 9.078 ( -12.927 0.000 0.000) 12.927 9.523 ( 6.487 0.000 0.000) 6.487 9.644 ( -5.610 0.000 0.000) 5.610 10.077 ( -0.179 0.000 0.000) 0.179 10.105 ( -3.169 0.000 0.000) 3.169 10.239 ( 0.607 0.000 0.000) 0.607 10.275 ( -2.873 0.000 0.000) 2.873 11.473 ( 24.114 0.000 0.000) 24.114 11.677 ( 8.798 0.000 0.000) 8.798 11.834 ( -4.699 0.000 0.000) 4.699 11.913 ( -18.589 0.000 0.000) 18.589 12.547 ( 6.110 0.000 0.000) 6.110 12.723 ( -9.624 0.000 0.000) 9.624 13.432 ( 26.260 0.000 0.000) 26.260 14.007 ( -27.916 0.000 0.000) 27.916 14.028 ( 12.074 0.000 0.000) 12.074 14.230 ( -7.681 0.000 0.000) 7.681 14.309 ( 43.235 0.000 0.000) 43.235 15.161 ( -38.312 0.000 0.000) 38.312 15.182 ( 35.592 0.000 0.000) 35.592 15.312 ( 4.531 0.000 0.000) 4.531 15.454 ( 0.033 0.000 0.000) 0.033 15.994 ( -34.550 0.000 0.000) 34.550 16.429 ( 5.846 0.000 0.000) 5.846 16.544 ( -5.337 0.000 0.000) 5.337 18.940 ( 7.835 0.000 0.000) 7.835 19.097 ( -7.508 0.000 0.000) 7.508 19.470 ( 15.943 0.000 0.000) 15.943 19.747 ( -11.596 0.000 0.000) 11.596 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 34.960 0.000) 34.960 0.778 ( 0.000 35.295 0.000) 35.295 1.347 ( 0.000 60.837 0.000) 60.837 2.722 ( 0.000 -7.474 0.000) 7.474 2.766 ( 0.000 -0.797 0.000) 0.797 3.264 ( 0.000 -0.998 0.000) 0.998 3.579 ( 0.000 6.674 0.000) 6.674 3.590 ( 0.000 1.697 0.000) 1.697 4.311 ( 0.000 -8.086 0.000) 8.086 4.351 ( 0.000 -7.915 0.000) 7.915 4.551 ( 0.000 -7.821 0.000) 7.821 4.823 ( 0.000 1.930 0.000) 1.930 4.920 ( 0.000 -9.700 0.000) 9.700 4.982 ( 0.000 5.297 0.000) 5.297 5.185 ( 0.000 -6.244 0.000) 6.244 5.230 ( 0.000 -0.417 0.000) 0.417 5.746 ( 0.000 15.015 0.000) 15.015 5.781 ( 0.000 4.967 0.000) 4.967 5.902 ( 0.000 9.605 0.000) 9.605 6.643 ( 0.000 -3.682 0.000) 3.682 6.771 ( 0.000 9.140 0.000) 9.140 6.859 ( 0.000 -14.184 0.000) 14.184 7.345 ( 0.000 -7.027 0.000) 7.027 7.772 ( 0.000 4.281 0.000) 4.281 8.005 ( 0.000 -3.828 0.000) 3.828 8.144 ( 0.000 2.586 0.000) 2.586 8.370 ( 0.000 1.401 0.000) 1.401 8.476 ( 0.000 1.420 0.000) 1.420 8.534 ( 0.000 0.007 0.000) 0.007 8.631 ( 0.000 2.818 0.000) 2.818 8.689 ( 0.000 -12.557 0.000) 12.557 9.146 ( 0.000 -2.954 0.000) 2.954 9.159 ( 0.000 -3.384 0.000) 3.384 9.398 ( 0.000 -15.204 0.000) 15.204 9.986 ( 0.000 3.924 0.000) 3.924 10.167 ( 0.000 4.429 0.000) 4.429 10.382 ( 0.000 2.455 0.000) 2.455 10.563 ( 0.000 4.913 0.000) 4.913 10.657 ( 0.000 -2.839 0.000) 2.839 11.049 ( 0.000 2.588 0.000) 2.588 11.611 ( 0.000 -1.212 0.000) 1.212 11.764 ( 0.000 -2.005 0.000) 2.005 11.922 ( 0.000 26.007 0.000) 26.007 12.579 ( 0.000 7.893 0.000) 7.893 12.888 ( 0.000 -0.295 0.000) 0.295 13.074 ( 0.000 -4.629 0.000) 4.629 13.462 ( 0.000 14.146 0.000) 14.146 13.516 ( 0.000 -5.768 0.000) 5.768 14.901 ( 0.000 -10.553 0.000) 10.553 14.988 ( 0.000 2.136 0.000) 2.136 15.276 ( 0.000 -2.265 0.000) 2.265 15.637 ( 0.000 -26.699 0.000) 26.699 16.180 ( 0.000 1.440 0.000) 1.440 16.377 ( 0.000 -1.359 0.000) 1.359 16.748 ( 0.000 2.088 0.000) 2.088 17.329 ( 0.000 -4.726 0.000) 4.726 18.076 ( 0.000 4.471 0.000) 4.471 18.641 ( 0.000 -3.606 0.000) 3.606 19.573 ( 0.000 11.225 0.000) 11.225 20.158 ( 0.000 -0.111 0.000) 0.111 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 15.662 23.210 0.000) 28.000 0.980 ( 17.743 26.026 0.000) 31.499 1.776 ( 31.372 45.727 0.000) 55.454 2.735 ( 3.873 -8.433 0.000) 9.280 2.766 ( -0.004 -2.646 0.000) 2.646 3.293 ( 2.664 -1.684 0.000) 3.152 3.541 ( -3.508 6.701 0.000) 7.563 3.564 ( -3.612 -0.003 0.000) 3.612 4.190 ( -11.116 -9.542 0.000) 14.650 4.317 ( -4.708 -7.338 0.000) 8.718 4.435 ( -18.539 -1.007 0.000) 18.567 4.458 ( -8.927 -5.305 0.000) 10.384 5.051 ( 5.994 6.228 0.000) 8.644 5.174 ( 0.728 -8.923 0.000) 8.953 5.323 ( 10.255 -0.824 0.000) 10.288 5.328 ( 9.517 -0.398 0.000) 9.525 5.626 ( 1.495 7.988 0.000) 8.127 5.746 ( 0.317 14.324 0.000) 14.327 6.059 ( 13.630 6.544 0.000) 15.120 6.655 ( 1.702 -3.345 0.000) 3.754 6.783 ( 1.113 7.122 0.000) 7.209 6.922 ( 3.251 -16.326 0.000) 16.647 7.346 ( -0.178 -5.282 0.000) 5.285 7.743 ( -2.887 3.900 0.000) 4.853 7.962 ( -5.910 6.938 0.000) 9.114 8.030 ( 2.127 -3.087 0.000) 3.749 8.292 ( -3.542 -1.399 0.000) 3.808 8.465 ( -0.876 1.051 0.000) 1.368 8.515 ( -8.150 -3.315 0.000) 8.798 8.643 ( 4.856 3.694 0.000) 6.101 8.739 ( 1.571 -5.627 0.000) 5.842 9.166 ( 5.790 1.586 0.000) 6.004 9.352 ( -4.338 -16.439 0.000) 17.002 9.713 ( 23.141 -17.654 0.000) 29.106 10.101 ( 13.701 0.197 0.000) 13.702 10.129 ( -3.384 6.101 0.000) 6.976 10.376 ( -0.262 3.062 0.000) 3.073 10.521 ( -8.144 -1.743 0.000) 8.328 10.557 ( -2.555 5.894 0.000) 6.424 11.223 ( 13.636 0.406 0.000) 13.642 11.689 ( -3.051 1.402 0.000) 3.358 11.855 ( 18.594 0.674 0.000) 18.607 12.003 ( 7.652 24.150 0.000) 25.333 12.642 ( 10.170 7.803 0.000) 12.818 12.851 ( -3.878 0.740 0.000) 3.948 13.051 ( -2.854 -6.237 0.000) 6.859 13.486 ( 3.479 14.738 0.000) 15.143 13.529 ( 1.949 -5.754 0.000) 6.075 14.618 ( -13.325 16.328 0.000) 21.075 14.931 ( 2.872 -10.292 0.000) 10.685 15.516 ( 4.991 -12.114 0.000) 13.102 15.679 ( 4.056 -26.272 0.000) 26.584 15.904 ( -21.345 4.643 0.000) 21.844 16.445 ( 1.588 -14.092 0.000) 14.181 16.664 ( -8.415 1.904 0.000) 8.627 17.248 ( -8.159 -4.710 0.000) 9.421 18.280 ( 17.867 3.684 0.000) 18.243 18.686 ( 3.789 1.903 0.000) 4.240 19.551 ( -2.193 11.282 0.000) 11.493 20.136 ( -2.195 -0.110 0.000) 2.198 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 23.947 1.235 0.000) 23.979 1.401 ( 22.494 14.014 0.000) 26.502 2.298 ( 17.501 27.920 0.000) 32.952 2.765 ( -0.011 -7.376 0.000) 7.376 2.948 ( 15.987 -5.883 0.000) 17.035 3.353 ( 2.167 -3.092 0.000) 3.775 3.443 ( -7.772 -3.392 0.000) 8.480 3.456 ( -4.431 5.651 0.000) 7.180 3.912 ( -14.933 -10.849 0.000) 18.458 4.030 ( -16.083 2.264 0.000) 16.241 4.221 ( -13.561 -0.964 0.000) 13.595 4.279 ( -4.124 -6.695 0.000) 7.864 5.037 ( -7.526 -3.623 0.000) 8.352 5.169 ( 4.237 10.465 0.000) 11.290 5.436 ( 3.067 9.106 0.000) 9.609 5.595 ( 16.203 -0.656 0.000) 16.216 5.794 ( 5.853 11.232 0.000) 12.665 5.911 ( 19.028 -1.172 0.000) 19.064 6.410 ( 19.211 0.203 0.000) 19.212 6.724 ( 4.895 -2.233 0.000) 5.380 6.798 ( -0.597 1.419 0.000) 1.540 6.987 ( 3.772 -13.635 0.000) 14.147 7.329 ( -1.775 1.066 0.000) 2.071 7.656 ( -5.555 3.173 0.000) 6.397 7.903 ( -2.194 4.105 0.000) 4.655 8.070 ( 1.347 -2.722 0.000) 3.037 8.208 ( -5.315 -1.517 0.000) 5.527 8.332 ( -9.740 -3.894 0.000) 10.489 8.447 ( -0.054 -0.793 0.000) 0.794 8.715 ( 2.904 0.835 0.000) 3.021 8.731 ( -2.144 -4.280 0.000) 4.787 9.239 ( -6.489 -17.303 0.000) 18.480 9.326 ( 8.858 7.376 0.000) 11.527 9.960 ( 6.317 -6.552 0.000) 9.101 10.045 ( -4.759 9.084 0.000) 10.255 10.339 ( -8.655 -1.827 0.000) 8.845 10.361 ( 2.396 2.772 0.000) 3.664 10.514 ( -2.395 8.163 0.000) 8.507 10.524 ( 21.793 0.996 0.000) 21.816 11.518 ( 14.797 -0.904 0.000) 14.824 11.580 ( -4.579 6.750 0.000) 8.157 12.189 ( 8.829 16.686 0.000) 18.877 12.422 ( 33.089 -4.183 0.000) 33.352 12.730 ( -8.365 3.347 0.000) 9.010 12.909 ( 12.573 4.467 0.000) 13.343 12.966 ( -3.306 -4.912 0.000) 5.921 13.631 ( 10.602 12.843 0.000) 16.653 13.698 ( 18.560 -6.471 0.000) 19.656 14.463 ( -4.792 8.588 0.000) 9.835 15.011 ( 4.847 -9.569 0.000) 10.727 15.355 ( -24.855 3.773 0.000) 25.140 15.565 ( -5.057 -4.045 0.000) 6.476 15.787 ( 6.124 -24.339 0.000) 25.097 16.405 ( -17.283 0.758 0.000) 17.300 16.431 ( -2.400 -19.576 0.000) 19.722 16.996 ( -16.972 -4.678 0.000) 17.605 18.695 ( 21.304 2.545 0.000) 21.455 18.786 ( 6.484 6.788 0.000) 9.387 19.486 ( -4.296 11.408 0.000) 12.191 20.067 ( -4.695 -0.089 0.000) 4.696 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 20.194 -9.526 0.000) 22.328 1.842 ( 20.310 4.734 0.000) 20.854 2.571 ( 12.328 16.532 0.000) 20.623 2.771 ( 0.769 -11.335 0.000) 11.361 3.127 ( -2.313 -0.737 0.000) 2.427 3.288 ( -9.115 -7.266 0.000) 11.657 3.313 ( -4.040 -15.397 0.000) 15.918 3.372 ( -5.456 3.541 0.000) 6.504 3.700 ( -3.943 -6.958 0.000) 7.998 3.763 ( -10.372 3.218 0.000) 10.860 3.961 ( -10.568 0.929 0.000) 10.608 4.182 ( -6.035 -4.421 0.000) 7.481 5.011 ( 4.825 6.263 0.000) 7.906 5.193 ( -1.381 16.572 0.000) 16.629 5.528 ( 8.842 11.497 0.000) 14.504 5.921 ( 14.889 0.984 0.000) 14.921 6.035 ( 17.906 4.672 0.000) 18.505 6.257 ( 13.538 -0.115 0.000) 13.539 6.707 ( -9.722 -1.857 0.000) 9.898 6.768 ( 14.607 -4.485 0.000) 15.280 6.811 ( 3.286 -1.445 0.000) 3.590 7.064 ( 3.073 -11.086 0.000) 11.503 7.263 ( -4.628 4.702 0.000) 6.597 7.531 ( -6.878 2.232 0.000) 7.231 7.855 ( -1.622 4.162 0.000) 4.467 8.062 ( -3.105 -3.886 0.000) 4.974 8.089 ( -5.506 -0.011 0.000) 5.506 8.150 ( -6.895 -1.502 0.000) 7.056 8.486 ( 3.759 -5.209 0.000) 6.424 8.675 ( -2.759 -6.185 0.000) 6.773 8.772 ( 2.720 -1.652 0.000) 3.183 9.100 ( -7.333 -14.504 0.000) 16.252 9.498 ( 8.172 9.697 0.000) 12.681 9.938 ( -5.999 10.507 0.000) 12.099 10.031 ( 1.409 -3.179 0.000) 3.477 10.188 ( -6.198 -1.444 0.000) 6.363 10.407 ( 2.102 10.513 0.000) 10.721 10.465 ( -2.158 11.282 0.000) 11.486 10.999 ( 24.352 2.010 0.000) 24.435 11.560 ( 3.261 3.319 0.000) 4.653 11.772 ( 8.438 -0.407 0.000) 8.448 12.266 ( -1.196 5.385 0.000) 5.516 12.495 ( -13.997 -2.020 0.000) 14.142 12.763 ( -2.090 -9.940 0.000) 10.158 13.071 ( 14.838 5.663 0.000) 15.882 13.428 ( 42.014 6.718 0.000) 42.548 13.880 ( 13.322 10.394 0.000) 16.897 14.204 ( 13.796 -7.049 0.000) 15.493 14.413 ( 11.062 1.221 0.000) 11.129 14.845 ( -21.246 12.416 0.000) 24.607 15.116 ( 5.343 -8.597 0.000) 10.122 15.477 ( -4.461 -4.852 0.000) 6.591 15.833 ( -12.893 -2.680 0.000) 13.169 16.044 ( -7.574 -19.332 0.000) 20.763 16.360 ( -4.486 -21.881 0.000) 22.336 16.561 ( -26.246 -4.651 0.000) 26.654 18.918 ( 7.655 9.289 0.000) 12.037 19.124 ( 19.595 1.513 0.000) 19.653 19.380 ( -6.182 11.480 0.000) 13.039 19.943 ( -7.733 -0.003 0.000) 7.733 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 12.061 -12.472 0.000) 17.350 2.160 ( 8.756 -5.660 0.000) 10.427 2.773 ( 4.330 8.800 0.000) 9.808 2.783 ( -0.072 -5.054 0.000) 5.055 3.050 ( 0.847 4.870 0.000) 4.943 3.110 ( -4.381 -12.093 0.000) 12.862 3.201 ( -6.255 -22.563 0.000) 23.413 3.228 ( -8.196 2.320 0.000) 8.518 3.621 ( -3.212 0.903 0.000) 3.336 3.636 ( -3.799 -1.684 0.000) 4.156 3.898 ( 4.342 -2.963 0.000) 5.257 4.036 ( -7.882 -4.065 0.000) 8.868 5.105 ( 2.831 17.639 0.000) 17.865 5.149 ( -2.282 19.742 0.000) 19.873 5.871 ( 23.626 7.484 0.000) 24.783 6.196 ( 9.884 0.291 0.000) 9.888 6.359 ( -7.959 5.479 0.000) 9.663 6.386 ( -1.621 1.490 0.000) 2.202 6.451 ( 7.338 0.432 0.000) 7.350 6.728 ( -9.925 0.150 0.000) 9.926 7.059 ( 9.512 -4.073 0.000) 10.348 7.129 ( 7.290 -9.618 0.000) 12.068 7.165 ( -4.711 -3.691 0.000) 5.985 7.358 ( -10.811 0.228 0.000) 10.814 7.871 ( 3.043 3.930 0.000) 4.970 7.956 ( -5.296 -0.163 0.000) 5.298 8.029 ( -0.092 0.323 0.000) 0.336 8.067 ( -3.006 -0.184 0.000) 3.012 8.573 ( 4.061 -9.570 0.000) 10.396 8.630 ( -1.954 -9.097 0.000) 9.305 8.833 ( 3.995 -3.494 0.000) 5.308 8.949 ( -7.192 -8.858 0.000) 11.410 9.657 ( 7.644 9.850 0.000) 12.468 9.805 ( -7.053 10.110 0.000) 12.328 10.050 ( 1.134 -1.497 0.000) 1.877 10.093 ( -3.312 -0.864 0.000) 3.423 10.430 ( 0.262 15.520 0.000) 15.522 10.435 ( -0.719 14.709 0.000) 14.726 11.465 ( 20.403 1.041 0.000) 20.429 11.724 ( 13.215 2.063 0.000) 13.376 11.765 ( -8.970 -0.489 0.000) 8.984 12.069 ( -18.303 6.859 0.000) 19.546 12.414 ( 7.721 -10.930 0.000) 13.382 12.615 ( -10.161 -9.191 0.000) 13.702 13.481 ( 23.773 5.898 0.000) 24.493 13.959 ( -21.132 -1.193 0.000) 21.165 14.143 ( 12.476 9.445 0.000) 15.648 14.286 ( 23.364 6.250 0.000) 24.185 14.474 ( 7.526 10.328 0.000) 12.779 15.138 ( -18.973 -3.463 0.000) 19.286 15.150 ( 34.508 -2.581 0.000) 34.605 15.324 ( -13.468 2.393 0.000) 13.679 15.399 ( -0.586 -5.243 0.000) 5.276 15.937 ( -33.451 -5.574 0.000) 33.912 16.127 ( 5.679 -24.919 0.000) 25.558 16.254 ( -6.000 -23.732 0.000) 24.478 19.079 ( 8.179 10.685 0.000) 13.456 19.240 ( -7.602 11.315 0.000) 13.631 19.480 ( 15.621 0.700 0.000) 15.637 19.751 ( -11.426 0.228 0.000) 11.428 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 0.000 30.217 0.000) 30.217 1.503 ( 0.000 31.644 0.000) 31.644 2.477 ( 0.000 -15.044 0.000) 15.044 2.574 ( 0.000 51.261 0.000) 51.261 2.586 ( 0.000 -16.115 0.000) 16.115 3.383 ( 0.000 11.958 0.000) 11.958 3.621 ( 0.000 0.038 0.000) 0.038 3.771 ( 0.000 9.990 0.000) 9.990 4.073 ( 0.000 -12.917 0.000) 12.917 4.188 ( 0.000 -5.820 0.000) 5.820 4.334 ( 0.000 -11.722 0.000) 11.722 4.600 ( 0.000 -19.655 0.000) 19.655 4.867 ( 0.000 2.431 0.000) 2.431 5.049 ( 0.000 -5.941 0.000) 5.941 5.095 ( 0.000 4.586 0.000) 4.586 5.213 ( 0.000 -1.262 0.000) 1.262 5.915 ( 0.000 7.472 0.000) 7.472 6.133 ( 0.000 11.000 0.000) 11.000 6.182 ( 0.000 23.930 0.000) 23.930 6.478 ( 0.000 -18.971 0.000) 18.971 6.530 ( 0.000 -6.730 0.000) 6.730 7.058 ( 0.000 17.078 0.000) 17.078 7.111 ( 0.000 -14.934 0.000) 14.934 7.842 ( 0.000 -12.380 0.000) 12.380 7.899 ( 0.000 7.400 0.000) 7.400 8.220 ( 0.000 4.221 0.000) 4.221 8.364 ( 0.000 -15.367 0.000) 15.367 8.373 ( 0.000 -1.450 0.000) 1.450 8.528 ( 0.000 2.966 0.000) 2.966 8.551 ( 0.000 1.387 0.000) 1.387 8.710 ( 0.000 4.447 0.000) 4.447 9.067 ( 0.000 -13.818 0.000) 13.818 9.074 ( 0.000 -3.181 0.000) 3.181 9.081 ( 0.000 -3.317 0.000) 3.317 10.108 ( 0.000 7.229 0.000) 7.229 10.271 ( 0.000 5.350 0.000) 5.350 10.389 ( 0.000 -2.535 0.000) 2.535 10.535 ( 0.000 -5.830 0.000) 5.830 10.749 ( 0.000 9.476 0.000) 9.476 11.068 ( 0.000 -1.861 0.000) 1.861 11.598 ( 0.000 0.516 0.000) 0.516 11.705 ( 0.000 -3.221 0.000) 3.221 12.615 ( 0.000 31.647 0.000) 31.647 12.806 ( 0.000 12.457 0.000) 12.457 12.878 ( 0.000 -0.545 0.000) 0.545 13.049 ( 0.000 7.296 0.000) 7.296 13.340 ( 0.000 -10.313 0.000) 10.313 13.831 ( 0.000 19.770 0.000) 19.770 14.541 ( 0.000 -25.172 0.000) 25.172 14.903 ( 0.000 -36.095 0.000) 36.095 15.049 ( 0.000 3.426 0.000) 3.426 15.211 ( 0.000 -3.576 0.000) 3.576 16.223 ( 0.000 2.439 0.000) 2.439 16.336 ( 0.000 -2.344 0.000) 2.344 16.845 ( 0.000 6.556 0.000) 6.556 17.190 ( 0.000 -7.784 0.000) 7.784 18.207 ( 0.000 7.272 0.000) 7.272 18.531 ( 0.000 -6.449 0.000) 6.449 19.836 ( 0.000 11.658 0.000) 11.658 20.136 ( 0.000 -2.341 0.000) 2.341 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 2.062 28.949 0.000) 29.023 1.583 ( 7.528 28.192 0.000) 29.180 2.467 ( -0.307 -13.099 0.000) 13.102 2.582 ( -0.694 -15.031 0.000) 15.047 2.764 ( 15.815 38.849 0.000) 41.944 3.348 ( -2.919 7.667 0.000) 8.203 3.554 ( -6.807 -1.827 0.000) 7.047 3.726 ( -5.012 7.552 0.000) 9.064 3.948 ( -10.170 -9.840 0.000) 14.151 4.171 ( -1.242 -4.181 0.000) 4.362 4.292 ( -4.866 -9.850 0.000) 10.986 4.380 ( -13.747 -4.747 0.000) 14.543 5.006 ( 1.586 -4.815 0.000) 5.069 5.182 ( 8.041 5.173 0.000) 9.561 5.194 ( 17.319 -9.994 0.000) 19.995 5.311 ( 9.457 -1.285 0.000) 9.544 5.853 ( -2.913 11.225 0.000) 11.597 6.163 ( -1.687 22.743 0.000) 22.806 6.226 ( 7.786 7.843 0.000) 11.051 6.484 ( 2.829 -15.388 0.000) 15.646 6.601 ( 5.582 -8.339 0.000) 10.035 6.911 ( -7.860 -1.421 0.000) 7.987 7.270 ( 8.931 3.713 0.000) 9.672 7.819 ( -1.848 -1.954 0.000) 2.689 7.931 ( 2.020 -2.016 0.000) 2.853 8.088 ( -6.862 5.117 0.000) 8.560 8.255 ( -5.279 -2.318 0.000) 5.765 8.315 ( -4.857 -13.052 0.000) 13.926 8.523 ( -1.754 3.925 0.000) 4.299 8.668 ( 2.825 -1.116 0.000) 3.038 8.701 ( -1.047 1.800 0.000) 2.082 9.008 ( -5.428 -13.842 0.000) 14.868 9.212 ( 14.048 2.730 0.000) 14.311 9.435 ( 25.404 -9.022 0.000) 26.958 10.163 ( 6.501 5.016 0.000) 8.211 10.244 ( -2.430 4.838 0.000) 5.414 10.393 ( 0.978 -2.134 0.000) 2.348 10.452 ( -7.066 -4.272 0.000) 8.257 10.756 ( 0.934 11.732 0.000) 11.769 11.189 ( 10.353 -4.535 0.000) 11.303 11.723 ( 7.980 2.338 0.000) 8.316 11.848 ( 15.908 -1.697 0.000) 15.998 12.604 ( -2.138 22.358 0.000) 22.460 12.839 ( 4.832 10.869 0.000) 11.895 12.895 ( 0.805 -1.305 0.000) 1.533 13.017 ( -1.701 15.533 0.000) 15.626 13.351 ( 1.814 -10.461 0.000) 10.617 13.857 ( 2.952 19.067 0.000) 19.294 14.586 ( 4.279 -23.445 0.000) 23.832 14.891 ( -10.813 9.823 0.000) 14.608 14.952 ( 4.697 -36.163 0.000) 36.467 15.273 ( 2.018 -9.973 0.000) 10.175 16.013 ( -17.708 5.268 0.000) 18.475 16.247 ( -7.902 -6.322 0.000) 10.120 16.761 ( -8.433 6.641 0.000) 10.734 17.109 ( -8.159 -7.801 0.000) 11.288 18.389 ( 16.088 6.089 0.000) 17.202 18.648 ( 9.952 -4.346 0.000) 10.860 19.815 ( -2.124 11.672 0.000) 11.864 20.114 ( -2.178 -2.330 0.000) 3.189 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 7.513 20.694 0.000) 22.016 1.779 ( 11.015 19.672 0.000) 22.546 2.499 ( 4.028 -12.468 0.000) 13.102 2.546 ( -3.018 -13.164 0.000) 13.506 3.039 ( 7.765 14.480 0.000) 16.431 3.292 ( -2.549 -0.380 0.000) 2.577 3.355 ( -12.207 -4.408 0.000) 12.978 3.536 ( -12.684 -4.884 0.000) 13.592 3.768 ( -6.827 3.668 0.000) 7.749 4.085 ( -10.786 3.368 0.000) 11.300 4.136 ( -10.137 -6.642 0.000) 12.119 4.189 ( -2.381 -0.824 0.000) 2.520 5.022 ( 4.401 4.606 0.000) 6.371 5.382 ( 10.732 8.063 0.000) 13.423 5.562 ( 15.263 -4.065 0.000) 15.795 5.572 ( 15.697 -1.732 0.000) 15.792 5.910 ( 10.526 5.037 0.000) 11.669 6.137 ( 0.020 19.158 0.000) 19.158 6.362 ( 5.485 -7.889 0.000) 9.609 6.635 ( 10.591 -3.767 0.000) 11.241 6.745 ( 8.428 -5.812 0.000) 10.237 6.766 ( -6.576 -5.794 0.000) 8.765 7.429 ( 5.789 8.976 0.000) 10.681 7.755 ( -5.257 5.850 0.000) 7.865 7.958 ( 0.467 -8.104 0.000) 8.118 8.000 ( -2.974 4.654 0.000) 5.523 8.168 ( -4.181 -2.530 0.000) 4.887 8.178 ( -7.921 -10.047 0.000) 12.794 8.471 ( -2.567 3.006 0.000) 3.953 8.654 ( -3.979 -1.676 0.000) 4.318 8.670 ( -0.824 -4.255 0.000) 4.334 8.886 ( -5.458 -13.743 0.000) 14.787 9.524 ( 13.806 9.621 0.000) 16.828 9.828 ( 11.967 -5.620 0.000) 13.221 10.181 ( -3.773 3.767 0.000) 5.331 10.294 ( -7.971 -2.318 0.000) 8.301 10.382 ( 10.863 0.820 0.000) 10.894 10.521 ( 17.083 -2.491 0.000) 17.264 10.786 ( 1.973 16.433 0.000) 16.551 11.434 ( 13.219 -8.223 0.000) 15.568 11.796 ( -0.683 12.441 0.000) 12.460 12.287 ( 21.816 -8.313 0.000) 23.346 12.496 ( -8.657 8.782 0.000) 12.332 12.785 ( -11.143 -4.860 0.000) 12.157 13.050 ( 16.762 8.554 0.000) 18.818 13.121 ( 11.203 28.476 0.000) 30.600 13.509 ( 17.565 -10.536 0.000) 20.482 13.963 ( 7.496 16.364 0.000) 18.000 14.682 ( -9.734 11.257 0.000) 14.882 14.703 ( 7.060 -19.585 0.000) 20.819 15.084 ( 8.162 -35.696 0.000) 36.617 15.240 ( -6.111 -12.788 0.000) 14.173 15.630 ( -17.589 8.656 0.000) 19.604 16.070 ( -9.037 -13.095 0.000) 15.910 16.500 ( -17.644 6.957 0.000) 18.966 16.857 ( -16.996 -7.864 0.000) 18.727 18.767 ( 19.846 3.815 0.000) 20.210 18.871 ( 11.493 0.921 0.000) 11.530 19.750 ( -4.276 11.650 0.000) 12.410 20.047 ( -4.607 -2.263 0.000) 5.133 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 10.181 9.785 0.000) 14.120 1.983 ( 8.027 8.214 0.000) 11.485 2.481 ( -2.326 -14.342 0.000) 14.529 2.624 ( 7.182 -16.650 0.000) 18.133 3.022 ( -8.558 -1.230 0.000) 8.646 3.134 ( -6.628 -2.131 0.000) 6.962 3.172 ( -9.955 -1.685 0.000) 10.097 3.369 ( -2.933 -6.131 0.000) 6.796 3.654 ( -4.316 4.437 0.000) 6.190 3.856 ( -10.895 5.958 0.000) 12.417 3.919 ( -10.039 -4.402 0.000) 10.962 4.105 ( -7.086 -3.559 0.000) 7.929 5.272 ( 17.790 17.908 0.000) 25.242 5.561 ( 5.840 15.035 0.000) 16.130 5.772 ( 8.976 8.480 0.000) 12.348 5.905 ( 16.202 -2.598 0.000) 16.409 6.215 ( 8.850 11.464 0.000) 14.483 6.237 ( 16.507 -1.983 0.000) 16.626 6.513 ( 12.066 -17.492 0.000) 21.250 6.640 ( -6.217 -4.948 0.000) 7.946 6.794 ( 3.389 0.293 0.000) 3.401 6.891 ( 4.344 -4.476 0.000) 6.237 7.409 ( -10.007 8.591 0.000) 13.189 7.600 ( -10.143 3.841 0.000) 10.846 7.946 ( -0.912 -6.286 0.000) 6.352 7.949 ( -1.552 4.391 0.000) 4.657 8.062 ( -2.324 -7.172 0.000) 7.540 8.081 ( -3.968 -1.107 0.000) 4.119 8.440 ( -0.345 1.178 0.000) 1.227 8.552 ( -5.135 -2.834 0.000) 5.866 8.669 ( 0.728 -6.739 0.000) 6.778 8.804 ( -3.141 -12.177 0.000) 12.576 9.726 ( 7.118 9.827 0.000) 12.134 9.968 ( 3.490 -2.912 0.000) 4.545 10.087 ( -5.729 3.505 0.000) 6.716 10.154 ( -5.395 -1.446 0.000) 5.585 10.612 ( 12.831 8.714 0.000) 15.510 10.833 ( 2.514 21.630 0.000) 21.776 10.992 ( 25.684 -4.654 0.000) 26.103 11.693 ( 11.574 -10.388 0.000) 15.552 11.745 ( -2.587 14.664 0.000) 14.890 12.276 ( -12.266 1.554 0.000) 12.364 12.492 ( -1.272 -15.014 0.000) 15.068 12.500 ( -16.296 -1.878 0.000) 16.404 13.405 ( 16.198 25.934 0.000) 30.577 13.605 ( 36.985 9.572 0.000) 38.204 14.041 ( 28.771 -8.620 0.000) 30.034 14.146 ( 10.274 12.177 0.000) 15.932 14.511 ( -4.874 8.592 0.000) 9.878 14.858 ( 8.025 -15.001 0.000) 17.013 15.025 ( -12.381 -1.611 0.000) 12.486 15.268 ( 9.780 -34.022 0.000) 35.400 15.377 ( -8.379 0.622 0.000) 8.402 15.888 ( -9.092 -19.061 0.000) 21.118 16.047 ( -27.237 7.729 0.000) 28.313 16.421 ( -26.282 -7.963 0.000) 27.462 19.092 ( 11.232 5.885 0.000) 12.680 19.159 ( 17.824 1.409 0.000) 17.879 19.642 ( -6.427 11.415 0.000) 13.100 19.926 ( -7.468 -2.034 0.000) 7.740 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.663 0.553 0.000) 7.683 2.058 ( -0.891 -1.594 0.000) 1.826 2.499 ( 4.796 -18.895 0.000) 19.494 2.647 ( -7.199 -26.034 0.000) 27.011 2.920 ( 2.007 5.575 0.000) 5.925 3.005 ( -5.897 3.923 0.000) 7.083 3.113 ( 4.823 -0.607 0.000) 4.861 3.270 ( -7.996 -2.333 0.000) 8.329 3.611 ( -0.224 1.484 0.000) 1.501 3.671 ( -6.653 4.599 0.000) 8.088 3.816 ( 1.560 -4.817 0.000) 5.063 3.937 ( -8.482 -5.383 0.000) 10.045 5.544 ( 7.109 21.616 0.000) 22.755 5.609 ( -0.464 20.706 0.000) 20.712 6.034 ( 15.637 4.914 0.000) 16.391 6.161 ( 6.442 -4.500 0.000) 7.858 6.436 ( 4.323 3.759 0.000) 5.729 6.475 ( 14.849 3.894 0.000) 15.351 6.511 ( -5.801 5.212 0.000) 7.798 6.736 ( -9.027 0.660 0.000) 9.051 6.869 ( 16.791 -13.089 0.000) 21.290 6.941 ( 7.344 -6.717 0.000) 9.952 7.108 ( -15.819 -0.798 0.000) 15.839 7.309 ( -18.400 -4.903 0.000) 19.042 7.951 ( 1.095 3.237 0.000) 3.417 7.954 ( 0.871 0.148 0.000) 0.884 8.031 ( -0.741 -0.423 0.000) 0.853 8.042 ( -0.938 -2.621 0.000) 2.784 8.448 ( 0.864 -1.079 0.000) 1.383 8.476 ( -2.295 -2.506 0.000) 3.398 8.695 ( 1.874 -8.241 0.000) 8.451 8.744 ( -2.865 -9.950 0.000) 10.355 9.848 ( 5.612 6.991 0.000) 8.965 9.964 ( -6.034 4.584 0.000) 7.577 10.017 ( 2.148 -1.854 0.000) 2.837 10.070 ( -3.296 -1.317 0.000) 3.549 10.827 ( 6.744 19.735 0.000) 20.856 10.874 ( 0.934 24.433 0.000) 24.451 11.489 ( 22.300 -4.011 0.000) 22.658 11.768 ( 6.687 6.627 0.000) 9.414 11.793 ( -5.635 -3.340 0.000) 6.550 12.027 ( -14.661 -6.636 0.000) 16.093 12.243 ( -2.027 -3.573 0.000) 4.108 12.366 ( -8.795 -13.427 0.000) 16.051 13.748 ( 17.222 19.400 0.000) 25.941 14.050 ( -9.099 10.312 0.000) 13.752 14.359 ( 10.481 7.971 0.000) 13.168 14.444 ( 20.017 5.794 0.000) 20.839 14.647 ( 11.823 5.007 0.000) 12.840 14.997 ( 3.080 -8.521 0.000) 9.061 15.097 ( 29.043 -4.092 0.000) 29.330 15.236 ( -5.733 -6.789 0.000) 8.886 15.381 ( -19.697 -11.148 0.000) 22.633 15.511 ( -2.935 -12.327 0.000) 12.671 15.702 ( -9.315 -23.342 0.000) 25.132 15.813 ( -32.748 -8.069 0.000) 33.728 19.306 ( 10.024 9.013 0.000) 13.480 19.487 ( 14.539 -0.374 0.000) 14.544 19.492 ( -8.429 10.678 0.000) 13.604 19.743 ( -10.829 -1.473 0.000) 10.929 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.000 -23.218 0.000) 23.218 2.062 ( 0.000 23.218 0.000) 23.218 2.125 ( 0.000 -25.721 0.000) 25.721 2.125 ( 0.000 25.721 0.000) 25.721 3.437 ( 0.000 -23.811 0.000) 23.811 3.437 ( 0.000 23.811 0.000) 23.811 3.700 ( 0.000 -15.510 0.000) 15.510 3.700 ( 0.000 15.510 0.000) 15.510 4.070 ( 0.000 -11.948 0.000) 11.948 4.070 ( 0.000 11.948 0.000) 11.948 4.200 ( 0.000 -10.823 0.000) 10.823 4.200 ( 0.000 10.823 0.000) 10.823 4.938 ( 0.000 -4.246 0.000) 4.246 4.938 ( 0.000 4.246 0.000) 4.246 5.172 ( 0.000 -2.660 0.000) 2.660 5.172 ( 0.000 2.660 0.000) 2.660 6.125 ( 0.000 -12.868 0.000) 12.868 6.125 ( 0.000 12.868 0.000) 12.868 6.355 ( 0.000 -9.375 0.000) 9.375 6.355 ( 0.000 9.375 0.000) 9.375 6.702 ( 0.000 -22.653 0.000) 22.653 6.702 ( 0.000 22.653 0.000) 22.653 7.473 ( 0.000 -20.127 0.000) 20.127 7.473 ( 0.000 20.127 0.000) 20.127 8.089 ( 0.000 -10.339 0.000) 10.339 8.089 ( 0.000 10.339 0.000) 10.339 8.312 ( 0.000 -3.927 0.000) 3.927 8.312 ( 0.000 3.927 0.000) 3.927 8.569 ( 0.000 -0.343 0.000) 0.343 8.569 ( 0.000 0.343 0.000) 0.343 8.835 ( 0.000 -7.757 0.000) 7.757 8.835 ( 0.000 7.757 0.000) 7.757 9.038 ( 0.000 -0.271 0.000) 0.271 9.038 ( 0.000 0.271 0.000) 0.271 10.275 ( 0.000 -7.406 0.000) 7.406 10.275 ( 0.000 7.406 0.000) 7.406 10.399 ( 0.000 -6.421 0.000) 6.421 10.399 ( 0.000 6.421 0.000) 6.421 10.954 ( 0.000 -8.335 0.000) 8.335 10.954 ( 0.000 8.335 0.000) 8.335 11.637 ( 0.000 -2.820 0.000) 2.820 11.637 ( 0.000 2.820 0.000) 2.820 12.863 ( 0.000 -1.278 0.000) 1.278 12.863 ( 0.000 1.278 0.000) 1.278 13.086 ( 0.000 -12.903 0.000) 12.903 13.086 ( 0.000 12.903 0.000) 12.903 13.734 ( 0.000 -44.001 0.000) 44.001 13.734 ( 0.000 44.001 0.000) 44.001 14.294 ( 0.000 -23.027 0.000) 23.027 14.294 ( 0.000 23.027 0.000) 23.027 15.129 ( 0.000 -3.877 0.000) 3.877 15.129 ( 0.000 3.877 0.000) 3.877 16.280 ( 0.000 -2.745 0.000) 2.745 16.280 ( 0.000 2.745 0.000) 2.745 17.011 ( 0.000 -8.454 0.000) 8.454 17.011 ( 0.000 8.454 0.000) 8.454 18.373 ( 0.000 -7.850 0.000) 7.850 18.373 ( 0.000 7.850 0.000) 7.850 20.039 ( 0.000 -6.923 0.000) 6.923 20.039 ( 0.000 6.923 0.000) 6.923 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.220 -23.037 0.000) 23.038 2.062 ( 0.220 23.037 0.000) 23.038 2.152 ( 2.372 -23.935 0.000) 24.053 2.152 ( 2.372 23.935 0.000) 24.053 3.397 ( -4.422 -16.360 0.000) 16.947 3.397 ( -4.422 16.360 0.000) 16.947 3.585 ( -9.982 -12.925 0.000) 16.331 3.585 ( -9.982 12.925 0.000) 16.331 4.051 ( -2.566 -11.809 0.000) 12.085 4.051 ( -2.566 11.809 0.000) 12.085 4.217 ( 0.608 -8.252 0.000) 8.275 4.217 ( 0.608 8.252 0.000) 8.275 5.003 ( 7.421 -5.164 0.000) 9.040 5.003 ( 7.421 5.164 0.000) 9.040 5.268 ( 9.087 -2.904 0.000) 9.540 5.268 ( 9.087 2.904 0.000) 9.540 6.110 ( -1.009 -13.330 0.000) 13.368 6.110 ( -1.009 13.330 0.000) 13.368 6.441 ( 8.335 -7.657 0.000) 11.318 6.441 ( 8.335 7.657 0.000) 11.318 6.641 ( -5.185 -19.754 0.000) 20.423 6.641 ( -5.185 19.754 0.000) 20.423 7.545 ( 6.402 -16.911 0.000) 18.082 7.545 ( 6.402 16.911 0.000) 18.082 8.062 ( -2.982 -9.732 0.000) 10.179 8.062 ( -2.982 9.732 0.000) 10.179 8.187 ( -6.486 -3.989 0.000) 7.614 8.187 ( -6.486 3.989 0.000) 7.614 8.611 ( -0.545 -3.787 0.000) 3.827 8.611 ( -0.545 3.787 0.000) 3.827 8.788 ( -4.325 -6.636 0.000) 7.922 8.788 ( -4.325 6.636 0.000) 7.922 9.291 ( 21.538 -4.825 0.000) 22.072 9.291 ( 21.538 4.825 0.000) 22.072 10.293 ( 2.574 -6.284 0.000) 6.790 10.293 ( 2.574 6.284 0.000) 6.790 10.349 ( -4.444 -4.964 0.000) 6.663 10.349 ( -4.444 4.964 0.000) 6.663 11.015 ( 5.642 -11.056 0.000) 12.413 11.015 ( 5.642 11.056 0.000) 12.413 11.789 ( 13.695 -3.392 0.000) 14.109 11.789 ( 13.695 3.392 0.000) 14.109 12.811 ( -5.249 -4.611 0.000) 6.987 12.811 ( -5.249 4.611 0.000) 6.987 13.098 ( 2.205 -12.497 0.000) 12.690 13.098 ( 2.205 12.497 0.000) 12.690 13.774 ( 3.970 -41.421 0.000) 41.611 13.774 ( 3.970 41.421 0.000) 41.611 14.347 ( 5.286 -21.066 0.000) 21.719 14.347 ( 5.286 21.066 0.000) 21.719 15.080 ( -4.792 -8.356 0.000) 9.633 15.080 ( -4.792 8.356 0.000) 9.633 16.127 ( -13.207 -5.288 0.000) 14.227 16.127 ( -13.207 5.288 0.000) 14.227 16.929 ( -8.249 -8.520 0.000) 11.859 16.929 ( -8.249 8.520 0.000) 11.859 18.528 ( 13.555 -6.419 0.000) 14.998 18.528 ( 13.555 6.419 0.000) 14.998 20.018 ( -2.141 -6.910 0.000) 7.235 20.018 ( -2.141 6.910 0.000) 7.235 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 2.289 -22.950 0.000) 23.064 2.085 ( 2.289 22.950 0.000) 23.064 2.200 ( 1.648 -18.512 0.000) 18.585 2.200 ( 1.648 18.512 0.000) 18.585 3.253 ( -9.331 -5.762 0.000) 10.966 3.253 ( -9.331 5.762 0.000) 10.966 3.366 ( -10.200 -6.967 0.000) 12.352 3.366 ( -10.200 6.967 0.000) 12.352 3.954 ( -6.978 -9.769 0.000) 12.005 3.954 ( -6.978 9.769 0.000) 12.005 4.168 ( -6.011 -2.752 0.000) 6.612 4.168 ( -6.011 2.752 0.000) 6.612 5.276 ( 19.343 -17.012 0.000) 25.760 5.276 ( 19.343 17.012 0.000) 25.760 5.511 ( 14.237 -4.181 0.000) 14.838 5.511 ( 14.237 4.181 0.000) 14.838 6.115 ( 2.273 -11.755 0.000) 11.973 6.115 ( 2.273 11.755 0.000) 11.973 6.531 ( -4.948 -15.648 0.000) 16.412 6.531 ( -4.948 15.648 0.000) 16.412 6.656 ( 11.327 -3.439 0.000) 11.837 6.656 ( 11.327 3.439 0.000) 11.837 7.687 ( 6.136 -13.202 0.000) 14.558 7.687 ( 6.136 13.202 0.000) 14.558 7.951 ( -7.984 -9.679 0.000) 12.547 7.951 ( -7.984 9.679 0.000) 12.547 8.096 ( -3.395 -4.080 0.000) 5.308 8.096 ( -3.395 4.080 0.000) 5.308 8.563 ( -2.901 -5.122 0.000) 5.886 8.563 ( -2.901 5.122 0.000) 5.886 8.685 ( -5.234 -4.949 0.000) 7.204 8.685 ( -5.234 4.949 0.000) 7.204 9.702 ( 15.481 -6.689 0.000) 16.864 9.702 ( 15.481 6.689 0.000) 16.864 10.242 ( -5.781 -2.448 0.000) 6.278 10.242 ( -5.781 2.448 0.000) 6.278 10.436 ( 13.291 -4.135 0.000) 13.919 10.436 ( 13.291 4.135 0.000) 13.919 11.158 ( 8.056 -16.434 0.000) 18.302 11.158 ( 8.056 16.434 0.000) 18.302 12.068 ( 10.016 -11.879 0.000) 15.538 12.068 ( 10.016 11.879 0.000) 15.538 12.650 ( -10.719 -6.745 0.000) 12.665 12.650 ( -10.719 6.745 0.000) 12.665 13.268 ( 17.790 -11.241 0.000) 21.044 13.268 ( 17.790 11.241 0.000) 21.044 13.889 ( 7.231 -35.085 0.000) 35.823 13.889 ( 7.231 35.085 0.000) 35.823 14.501 ( 9.748 -16.617 0.000) 19.265 14.501 ( 9.748 16.617 0.000) 19.265 14.946 ( -8.143 -13.291 0.000) 15.587 14.946 ( -8.143 13.291 0.000) 15.587 15.833 ( -14.610 -9.838 0.000) 17.614 15.833 ( -14.610 9.838 0.000) 17.614 16.674 ( -17.196 -8.735 0.000) 19.288 16.674 ( -17.196 8.735 0.000) 19.288 18.844 ( 16.558 -2.901 0.000) 16.810 18.844 ( 16.558 2.901 0.000) 16.810 19.952 ( -4.437 -6.817 0.000) 8.133 19.952 ( -4.437 6.817 0.000) 8.133 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 2.715 -22.341 0.000) 22.506 2.144 ( 2.715 22.341 0.000) 22.506 2.196 ( -1.976 -11.649 0.000) 11.815 2.196 ( -1.976 11.649 0.000) 11.815 3.073 ( -6.790 -3.333 0.000) 7.564 3.073 ( -6.790 3.333 0.000) 7.564 3.220 ( -4.161 -5.653 0.000) 7.019 3.220 ( -4.161 5.653 0.000) 7.019 3.792 ( -7.965 -6.867 0.000) 10.517 3.792 ( -7.965 6.867 0.000) 10.517 3.998 ( -9.904 -6.352 0.000) 11.766 3.998 ( -9.904 6.352 0.000) 11.766 5.699 ( 19.376 -17.194 0.000) 25.904 5.699 ( 19.376 17.194 0.000) 25.904 5.800 ( 13.179 -7.507 0.000) 15.167 5.800 ( 13.179 7.507 0.000) 15.167 6.237 ( 11.384 -5.423 0.000) 12.609 6.237 ( 11.384 5.423 0.000) 12.609 6.472 ( -0.185 -10.744 0.000) 10.746 6.472 ( -0.185 10.744 0.000) 10.746 6.823 ( 3.706 -2.234 0.000) 4.327 6.823 ( 3.706 2.234 0.000) 4.327 7.599 ( -16.712 -6.722 0.000) 18.013 7.599 ( -16.712 6.722 0.000) 18.013 7.898 ( 4.254 -4.916 0.000) 6.501 7.898 ( 4.254 4.916 0.000) 6.501 8.034 ( -2.471 -3.216 0.000) 4.055 8.034 ( -2.471 3.216 0.000) 4.055 8.524 ( -0.910 -5.981 0.000) 6.050 8.524 ( -0.910 5.981 0.000) 6.050 8.597 ( -3.418 -6.503 0.000) 7.347 8.597 ( -3.418 6.503 0.000) 7.347 9.887 ( 4.802 -5.157 0.000) 7.047 9.887 ( 4.802 5.157 0.000) 7.047 10.128 ( -5.329 -1.111 0.000) 5.443 10.128 ( -5.329 1.111 0.000) 5.443 10.815 ( 22.030 -10.043 0.000) 24.211 10.815 ( 22.030 10.043 0.000) 24.211 11.321 ( 7.541 -21.921 0.000) 23.182 11.321 ( 7.541 21.921 0.000) 23.182 12.125 ( -2.807 -18.543 0.000) 18.754 12.125 ( -2.807 18.543 0.000) 18.754 12.391 ( -14.434 -6.921 0.000) 16.008 12.391 ( -14.434 6.921 0.000) 16.008 13.829 ( 34.579 -10.695 0.000) 36.195 13.829 ( 34.579 10.695 0.000) 36.195 14.056 ( 9.056 -27.745 0.000) 29.186 14.056 ( 9.056 27.745 0.000) 29.186 14.726 ( 12.124 -12.742 0.000) 17.589 14.726 ( 12.124 12.742 0.000) 17.589 14.777 ( -7.521 -15.021 0.000) 16.799 14.777 ( -7.521 15.021 0.000) 16.799 15.558 ( -12.671 -12.483 0.000) 17.787 15.558 ( -12.671 12.483 0.000) 17.787 16.234 ( -26.486 -9.094 0.000) 28.004 16.234 ( -26.486 9.094 0.000) 28.004 19.166 ( 15.114 -1.215 0.000) 15.162 19.166 ( 15.114 1.215 0.000) 15.162 19.838 ( -6.975 -6.482 0.000) 9.522 19.838 ( -6.975 6.482 0.000) 9.522 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -1.026 -10.996 0.000) 11.044 2.155 ( -1.026 10.996 0.000) 11.044 2.162 ( -0.798 -17.139 0.000) 17.158 2.162 ( -0.798 17.139 0.000) 17.158 3.039 ( 3.454 -5.173 0.000) 6.221 3.039 ( 3.454 5.173 0.000) 6.221 3.145 ( -4.941 -7.540 0.000) 9.015 3.145 ( -4.941 7.540 0.000) 9.015 3.700 ( 0.349 -5.548 0.000) 5.559 3.700 ( 0.349 5.548 0.000) 5.559 3.803 ( -8.598 -6.780 0.000) 10.950 3.803 ( -8.598 6.780 0.000) 10.950 5.951 ( 6.024 -13.463 0.000) 14.749 5.951 ( 6.024 13.463 0.000) 14.749 5.978 ( 3.519 -12.856 0.000) 13.329 5.978 ( 3.519 12.856 0.000) 13.329 6.552 ( 7.825 -2.063 0.000) 8.092 6.552 ( 7.825 2.063 0.000) 8.092 6.586 ( 17.200 -10.264 0.000) 20.030 6.586 ( 17.200 10.264 0.000) 20.030 6.808 ( -0.100 -4.747 0.000) 4.748 6.808 ( -0.100 4.747 0.000) 4.748 7.170 ( -24.076 -6.378 0.000) 24.906 7.170 ( -24.076 6.378 0.000) 24.906 7.977 ( 2.703 -2.318 0.000) 3.560 7.977 ( 2.703 2.318 0.000) 3.560 8.006 ( -0.691 -1.854 0.000) 1.978 8.006 ( -0.691 1.854 0.000) 1.978 8.521 ( 0.551 -6.865 0.000) 6.887 8.521 ( 0.551 6.865 0.000) 6.887 8.545 ( -1.827 -7.565 0.000) 7.782 8.545 ( -1.827 7.565 0.000) 7.782 9.959 ( 3.205 -3.662 0.000) 4.866 9.959 ( 3.205 3.662 0.000) 4.866 10.032 ( -4.177 -2.257 0.000) 4.748 10.032 ( -4.177 2.257 0.000) 4.748 11.232 ( 17.255 -17.019 0.000) 24.236 11.232 ( 17.255 17.019 0.000) 24.236 11.416 ( -0.235 -24.356 0.000) 24.357 11.416 ( -0.235 24.356 0.000) 24.357 12.045 ( -2.713 -15.766 0.000) 15.998 12.045 ( -2.713 15.766 0.000) 15.998 12.117 ( -10.584 -8.019 0.000) 13.279 12.117 ( -10.584 8.019 0.000) 13.279 14.241 ( 8.960 -21.256 0.000) 23.067 14.241 ( 8.960 21.256 0.000) 23.067 14.348 ( 4.812 -13.800 0.000) 14.615 14.348 ( 4.812 13.800 0.000) 14.615 14.832 ( 20.955 -13.575 0.000) 24.968 14.832 ( 20.955 13.575 0.000) 24.968 14.963 ( 9.994 -10.603 0.000) 14.571 14.963 ( 9.994 10.603 0.000) 14.571 15.334 ( -7.632 -11.640 0.000) 13.919 15.334 ( -7.632 11.640 0.000) 13.919 15.630 ( -31.743 -8.649 0.000) 32.901 15.630 ( -31.743 8.649 0.000) 32.901 19.445 ( 12.560 -3.952 0.000) 13.167 19.445 ( 12.560 3.952 0.000) 13.167 19.670 ( -9.736 -5.643 0.000) 11.254 19.670 ( -9.736 5.643 0.000) 11.254 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 0.000 30.417) 30.417 0.735 ( 0.000 0.000 35.348) 35.348 1.258 ( 0.000 0.000 59.685) 59.685 2.798 ( 0.000 0.000 4.476) 4.476 2.824 ( 0.000 0.000 1.899) 1.899 3.126 ( 0.000 0.000 -15.643) 15.643 3.502 ( 0.000 0.000 -0.655) 0.655 3.559 ( 0.000 0.000 -1.275) 1.275 4.324 ( 0.000 0.000 -6.768) 6.768 4.366 ( 0.000 0.000 -9.002) 9.002 4.466 ( 0.000 0.000 -24.942) 24.942 4.608 ( 0.000 0.000 -3.053) 3.053 4.851 ( 0.000 0.000 5.702) 5.702 5.230 ( 0.000 0.000 3.279) 3.279 5.330 ( 0.000 0.000 1.723) 1.723 5.365 ( 0.000 0.000 8.774) 8.774 5.513 ( 0.000 0.000 -5.604) 5.604 5.746 ( 0.000 0.000 13.164) 13.164 5.919 ( 0.000 0.000 14.846) 14.846 6.630 ( 0.000 0.000 -4.664) 4.664 6.681 ( 0.000 0.000 1.067) 1.067 7.075 ( 0.000 0.000 4.669) 4.669 7.557 ( 0.000 0.000 -3.924) 3.924 7.787 ( 0.000 0.000 5.449) 5.449 7.810 ( 0.000 0.000 1.138) 1.138 8.166 ( 0.000 0.000 4.039) 4.039 8.344 ( 0.000 0.000 -9.744) 9.744 8.433 ( 0.000 0.000 -4.965) 4.965 8.492 ( 0.000 0.000 -4.507) 4.507 8.570 ( 0.000 0.000 -2.458) 2.458 8.738 ( 0.000 0.000 0.340) 0.340 9.084 ( 0.000 0.000 -10.377) 10.377 9.519 ( 0.000 0.000 -7.272) 7.272 9.731 ( 0.000 0.000 5.153) 5.153 10.026 ( 0.000 0.000 5.678) 5.678 10.128 ( 0.000 0.000 -0.311) 0.311 10.136 ( 0.000 0.000 3.026) 3.026 10.301 ( 0.000 0.000 -0.651) 0.651 10.621 ( 0.000 0.000 7.467) 7.467 10.687 ( 0.000 0.000 -0.793) 0.793 11.703 ( 0.000 0.000 7.688) 7.688 11.799 ( 0.000 0.000 17.292) 17.292 11.840 ( 0.000 0.000 3.764) 3.764 12.445 ( 0.000 0.000 -4.343) 4.343 12.741 ( 0.000 0.000 -13.912) 13.912 13.042 ( 0.000 0.000 -3.748) 3.748 13.177 ( 0.000 0.000 -7.089) 7.089 13.895 ( 0.000 0.000 22.854) 22.854 15.061 ( 0.000 0.000 5.394) 5.394 15.381 ( 0.000 0.000 5.958) 5.958 15.885 ( 0.000 0.000 -8.450) 8.450 16.007 ( 0.000 0.000 -6.553) 6.553 16.197 ( 0.000 0.000 -0.327) 0.327 16.312 ( 0.000 0.000 -7.710) 7.710 16.403 ( 0.000 0.000 -22.027) 22.027 16.768 ( 0.000 0.000 -2.461) 2.461 18.357 ( 0.000 0.000 25.303) 25.303 18.890 ( 0.000 0.000 1.908) 1.908 19.421 ( 0.000 0.000 -1.398) 1.398 20.143 ( 0.000 0.000 -1.343) 1.343 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 17.160 0.000 20.143) 26.461 1.041 ( 25.590 0.000 23.708) 34.885 1.667 ( 31.595 0.000 45.528) 55.417 2.827 ( 2.746 0.000 4.384) 5.173 2.832 ( 2.812 0.000 -0.201) 2.819 3.157 ( 3.062 0.000 -15.286) 15.590 3.442 ( -5.162 0.000 -2.392) 5.689 3.561 ( -1.220 0.000 -0.582) 1.351 4.187 ( -11.369 0.000 -9.632) 14.901 4.310 ( -3.902 0.000 -9.692) 10.448 4.357 ( -11.667 0.000 -8.613) 14.501 4.493 ( -11.049 0.000 -2.225) 11.271 4.886 ( 4.860 0.000 -2.136) 5.308 5.156 ( -4.282 0.000 -3.900) 5.792 5.180 ( -3.801 0.000 1.248) 4.001 5.406 ( 4.484 0.000 -2.528) 5.147 5.726 ( 6.598 0.000 8.471) 10.738 5.842 ( 9.641 0.000 13.634) 16.698 6.124 ( 18.398 0.000 14.869) 23.656 6.635 ( 1.275 0.000 -4.150) 4.341 6.739 ( 4.857 0.000 2.349) 5.396 7.116 ( 2.050 0.000 -0.295) 2.071 7.472 ( -6.475 0.000 0.519) 6.496 7.735 ( -5.138 0.000 1.349) 5.312 7.831 ( 1.153 0.000 1.651) 2.014 8.024 ( -3.824 0.000 0.889) 3.926 8.284 ( -1.618 0.000 -4.417) 4.704 8.386 ( -3.049 0.000 -4.484) 5.422 8.572 ( -0.443 0.000 1.066) 1.155 8.680 ( 5.995 0.000 1.604) 6.206 8.798 ( 1.669 0.000 -1.937) 2.557 9.061 ( 4.007 0.000 -5.546) 6.842 9.519 ( -0.557 0.000 -5.870) 5.897 9.981 ( -3.304 0.000 -3.829) 5.058 10.059 ( 1.277 0.000 7.362) 7.472 10.226 ( 9.078 0.000 2.048) 9.306 10.260 ( 15.413 0.000 -18.343) 23.959 10.293 ( -0.780 0.000 -0.260) 0.823 10.618 ( -0.624 0.000 9.201) 9.222 10.798 ( 13.242 0.000 -9.100) 16.067 11.638 ( 2.390 0.000 -1.067) 2.617 11.762 ( -4.396 0.000 6.467) 7.820 12.151 ( 25.932 0.000 22.434) 34.290 12.594 ( 8.455 0.000 -6.673) 10.771 12.764 ( 7.303 0.000 -9.835) 12.250 13.043 ( -0.268 0.000 -2.186) 2.203 13.114 ( -5.970 0.000 -7.023) 9.217 13.953 ( 5.954 0.000 23.195) 23.947 14.947 ( -22.847 0.000 30.608) 38.195 15.100 ( 0.840 0.000 6.537) 6.591 15.576 ( -24.562 0.000 -21.278) 32.497 15.721 ( -8.067 0.000 1.319) 8.174 16.051 ( 3.394 0.000 4.202) 5.401 16.478 ( 2.441 0.000 -14.021) 14.232 16.749 ( -1.852 0.000 -2.071) 2.778 16.993 ( 16.973 0.000 -19.740) 26.034 18.471 ( 10.931 0.000 19.313) 22.192 18.674 ( -11.242 0.000 5.200) 12.386 19.393 ( -2.704 0.000 -1.820) 3.259 20.119 ( -2.374 0.000 -1.518) 2.817 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 22.723 0.000 5.070) 23.281 1.616 ( 29.566 0.000 13.077) 32.329 2.214 ( 18.150 0.000 31.239) 36.128 2.897 ( 3.718 0.000 4.127) 5.555 2.987 ( 11.200 0.000 -3.303) 11.677 3.254 ( 7.456 0.000 -10.876) 13.187 3.339 ( -3.780 0.000 -5.933) 7.034 3.490 ( -5.730 0.000 0.892) 5.799 3.922 ( -13.793 0.000 -6.226) 15.133 4.072 ( -14.953 0.000 -2.104) 15.100 4.203 ( -14.679 0.000 0.101) 14.679 4.230 ( -5.669 0.000 -11.613) 12.923 4.986 ( 2.689 0.000 -4.205) 4.991 5.092 ( -4.634 0.000 1.623) 4.910 5.146 ( 1.885 0.000 -9.982) 10.159 5.509 ( 7.557 0.000 -7.971) 10.984 5.858 ( 9.103 0.000 13.669) 16.423 6.107 ( 15.197 0.000 12.547) 19.707 6.551 ( 21.361 0.000 12.616) 24.808 6.697 ( 4.647 0.000 -3.417) 5.768 6.843 ( 3.760 0.000 4.813) 6.107 7.145 ( 1.191 0.000 -2.162) 2.469 7.329 ( -7.104 0.000 -0.020) 7.104 7.571 ( -11.161 0.000 -9.258) 14.501 7.833 ( -0.743 0.000 3.178) 3.264 8.015 ( 1.149 0.000 -2.851) 3.073 8.191 ( -7.450 0.000 -5.716) 9.391 8.356 ( -0.622 0.000 1.422) 1.552 8.557 ( 0.241 0.000 4.753) 4.759 8.736 ( -0.024 0.000 -2.573) 2.573 8.840 ( 3.499 0.000 9.937) 10.535 9.214 ( 9.217 0.000 -3.272) 9.781 9.470 ( -4.679 0.000 -2.601) 5.353 9.862 ( -6.309 0.000 -2.377) 6.742 10.065 ( -0.645 0.000 1.245) 1.402 10.274 ( -0.928 0.000 1.009) 1.371 10.347 ( -2.708 0.000 0.889) 2.850 10.475 ( 10.556 0.000 2.275) 10.799 10.608 ( 4.357 0.000 8.921) 9.928 11.108 ( 13.915 0.000 -20.847) 25.064 11.770 ( 5.558 0.000 10.593) 11.962 11.816 ( 13.754 0.000 -10.402) 17.245 12.569 ( -6.174 0.000 -11.312) 12.887 12.756 ( 26.566 0.000 19.873) 33.177 12.995 ( 2.295 0.000 -1.744) 2.882 13.008 ( -2.520 0.000 -10.321) 10.625 13.174 ( 25.362 0.000 4.213) 25.710 14.163 ( 15.863 0.000 23.122) 28.040 14.646 ( -8.553 0.000 23.525) 25.032 15.012 ( -30.219 0.000 -23.548) 38.311 15.160 ( 3.969 0.000 4.561) 6.046 15.608 ( -4.731 0.000 -1.367) 4.925 16.126 ( 2.769 0.000 6.807) 7.348 16.413 ( -8.409 0.000 -3.159) 8.983 16.700 ( -2.815 0.000 -1.343) 3.119 17.038 ( -9.427 0.000 -2.091) 9.656 18.580 ( 1.223 0.000 -6.110) 6.231 18.763 ( 17.066 0.000 8.631) 19.124 19.313 ( -5.211 0.000 -3.017) 6.021 20.046 ( -4.998 0.000 -1.975) 5.374 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 22.722 0.000 -3.123) 22.936 2.182 ( 25.731 0.000 7.502) 26.802 2.429 ( 6.089 0.000 17.417) 18.450 2.950 ( 0.692 0.000 3.802) 3.864 3.065 ( -3.382 0.000 -4.197) 5.390 3.264 ( -8.311 0.000 -7.123) 10.946 3.392 ( 0.624 0.000 -8.201) 8.224 3.455 ( 6.360 0.000 5.377) 8.328 3.678 ( -9.509 0.000 -2.887) 9.937 3.791 ( -12.339 0.000 -2.527) 12.595 3.955 ( -6.525 0.000 3.133) 7.238 4.123 ( -5.768 0.000 -11.251) 12.644 4.959 ( -3.764 0.000 -0.353) 3.781 5.006 ( -4.279 0.000 1.651) 4.586 5.278 ( 13.665 0.000 -7.924) 15.796 5.748 ( 15.716 0.000 -11.009) 19.188 6.120 ( 16.037 0.000 9.443) 18.611 6.384 ( 10.126 0.000 10.616) 14.671 6.738 ( -13.300 0.000 -0.578) 13.312 6.801 ( 1.644 0.000 -0.925) 1.887 6.896 ( 11.416 0.000 7.283) 13.542 7.182 ( 2.910 0.000 -1.215) 3.153 7.255 ( -0.295 0.000 2.096) 2.116 7.325 ( -11.350 0.000 -17.566) 20.914 7.839 ( 2.412 0.000 7.304) 7.692 8.010 ( -4.348 0.000 -5.389) 6.924 8.050 ( -2.761 0.000 -4.174) 5.004 8.288 ( -6.471 0.000 8.309) 10.532 8.646 ( 8.510 0.000 4.571) 9.660 8.739 ( 1.012 0.000 -0.156) 1.024 8.885 ( 0.299 0.000 10.793) 10.797 9.329 ( -9.214 0.000 0.648) 9.237 9.396 ( 8.513 0.000 -0.847) 8.555 9.752 ( -4.736 0.000 -1.304) 4.913 10.041 ( -1.124 0.000 -1.573) 1.933 10.243 ( -6.492 0.000 4.225) 7.745 10.264 ( 0.169 0.000 3.010) 3.015 10.455 ( -4.864 0.000 9.351) 10.540 10.972 ( 23.556 0.000 -0.278) 23.558 11.364 ( 12.479 0.000 -12.838) 17.904 11.909 ( 4.872 0.000 8.651) 9.929 12.049 ( 3.707 0.000 -8.718) 9.473 12.446 ( -3.615 0.000 -9.122) 9.812 12.835 ( 5.411 0.000 -12.407) 13.536 12.904 ( -7.457 0.000 -4.567) 8.745 13.661 ( 43.119 0.000 23.020) 48.879 13.665 ( 21.519 0.000 0.832) 21.535 14.390 ( -30.964 0.000 -22.649) 38.364 14.440 ( -2.748 0.000 11.258) 11.588 14.698 ( 26.255 0.000 21.721) 34.075 15.248 ( 4.519 0.000 3.531) 5.735 15.520 ( -3.901 0.000 -0.572) 3.943 15.958 ( -22.105 0.000 11.065) 24.720 16.336 ( 3.616 0.000 0.789) 3.702 16.635 ( -3.735 0.000 -0.465) 3.763 16.693 ( -23.664 0.000 6.977) 24.671 18.675 ( 7.174 0.000 -10.180) 12.454 19.120 ( 17.587 0.000 1.447) 17.646 19.186 ( -7.319 0.000 -4.827) 8.768 19.915 ( -8.044 0.000 -2.502) 8.424 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 20.687 0.000 -4.799) 21.237 2.447 ( -7.472 0.000 3.115) 8.095 2.625 ( 17.843 0.000 4.664) 18.442 2.886 ( -7.860 0.000 3.710) 8.691 2.976 ( -1.243 0.000 -0.752) 1.453 3.071 ( -8.524 0.000 -3.448) 9.195 3.431 ( 2.215 0.000 -1.846) 2.884 3.477 ( -1.763 0.000 2.972) 3.456 3.562 ( -1.860 0.000 -2.211) 2.889 3.602 ( -5.849 0.000 -2.510) 6.365 3.927 ( 1.933 0.000 -0.260) 1.950 4.006 ( -5.430 0.000 -7.357) 9.144 4.901 ( -1.196 0.000 1.468) 1.893 4.923 ( -3.203 0.000 1.872) 3.710 5.708 ( 26.849 0.000 -6.853) 27.710 6.099 ( 17.931 0.000 -8.620) 19.895 6.246 ( -21.761 0.000 -5.324) 22.403 6.402 ( -9.428 0.000 1.316) 9.519 6.523 ( 12.174 0.000 6.395) 13.751 6.769 ( -7.532 0.000 3.596) 8.347 7.041 ( 6.011 0.000 -3.349) 6.881 7.165 ( -5.823 0.000 -9.767) 11.371 7.229 ( 1.605 0.000 -0.422) 1.659 7.253 ( -0.604 0.000 0.542) 0.812 7.947 ( 7.889 0.000 10.578) 13.195 7.957 ( 0.879 0.000 -5.012) 5.089 8.008 ( -2.856 0.000 -3.421) 4.456 8.125 ( -9.061 0.000 10.968) 14.226 8.783 ( 3.250 0.000 3.558) 4.818 8.853 ( -3.086 0.000 7.653) 8.252 8.862 ( 12.181 0.000 4.310) 12.921 9.111 ( -12.034 0.000 3.073) 12.420 9.548 ( 6.501 0.000 0.164) 6.503 9.660 ( -4.775 0.000 -0.103) 4.776 10.044 ( 1.787 0.000 -0.273) 1.808 10.118 ( -5.374 0.000 2.248) 5.825 10.288 ( 2.327 0.000 5.404) 5.884 10.357 ( -4.422 0.000 7.762) 8.933 11.456 ( 23.553 0.000 -1.670) 23.612 11.621 ( 12.900 0.000 -5.096) 13.870 11.858 ( -9.233 0.000 0.945) 9.281 11.880 ( -17.287 0.000 -3.177) 17.577 12.509 ( 8.943 0.000 -3.868) 9.744 12.719 ( -10.514 0.000 -2.860) 10.896 13.180 ( 25.457 0.000 -19.758) 32.225 13.752 ( -30.066 0.000 -21.562) 36.998 14.029 ( 15.089 0.000 3.135) 15.411 14.284 ( -10.402 0.000 6.244) 12.132 14.560 ( 42.809 0.000 19.987) 47.246 15.324 ( 18.476 0.000 9.562) 20.803 15.337 ( 6.151 0.000 2.542) 6.656 15.362 ( -35.702 0.000 15.714) 39.007 15.497 ( 12.206 0.000 6.612) 13.882 16.119 ( -32.593 0.000 11.172) 34.454 16.441 ( 5.640 0.000 1.168) 5.759 16.548 ( -4.898 0.000 0.460) 4.920 18.842 ( 8.981 0.000 -9.212) 12.866 19.023 ( -8.742 0.000 -7.026) 11.215 19.451 ( 15.046 0.000 -1.783) 15.151 19.719 ( -11.514 0.000 -2.686) 11.823 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.000 21.219 17.757) 27.669 0.988 ( 0.000 26.333 18.190) 32.004 1.891 ( 0.000 42.985 39.929) 58.669 2.751 ( 0.000 -6.869 2.743) 7.397 2.779 ( 0.000 -4.678 -0.477) 4.703 3.130 ( 0.000 2.953 -10.394) 10.806 3.550 ( 0.000 -0.265 -3.617) 3.626 3.565 ( 0.000 5.861 -1.378) 6.021 4.169 ( 0.000 -8.713 -12.935) 15.596 4.344 ( 0.000 -6.041 -0.888) 6.106 4.474 ( 0.000 -0.920 -21.844) 21.864 4.519 ( 0.000 -6.833 -5.300) 8.647 4.880 ( 0.000 0.669 5.013) 5.057 5.259 ( 0.000 -2.662 9.383) 9.753 5.311 ( 0.000 -3.788 4.265) 5.705 5.331 ( 0.000 0.400 11.305) 11.312 5.534 ( 0.000 8.761 -12.618) 15.361 5.823 ( 0.000 8.152 8.409) 11.712 6.015 ( 0.000 8.242 10.560) 13.395 6.601 ( 0.000 -2.425 -3.498) 4.256 6.775 ( 0.000 7.583 0.730) 7.618 6.933 ( 0.000 -11.377 6.094) 12.906 7.426 ( 0.000 -8.586 1.405) 8.700 7.824 ( 0.000 3.335 4.466) 5.573 7.963 ( 0.000 3.840 -1.702) 4.200 8.184 ( 0.000 1.783 2.724) 3.256 8.276 ( 0.000 -1.959 -8.034) 8.269 8.486 ( 0.000 0.039 -4.938) 4.938 8.525 ( 0.000 -1.140 -1.151) 1.620 8.622 ( 0.000 4.072 -0.043) 4.073 8.640 ( 0.000 -4.429 -4.373) 6.224 9.048 ( 0.000 -2.708 -9.825) 10.192 9.331 ( 0.000 -15.648 -1.675) 15.738 9.358 ( 0.000 -14.406 12.167) 18.856 10.028 ( 0.000 3.026 4.130) 5.120 10.105 ( 0.000 4.538 -4.387) 6.311 10.357 ( 0.000 3.932 -0.315) 3.945 10.612 ( 0.000 -2.551 1.082) 2.771 10.673 ( 0.000 0.704 3.084) 3.163 10.759 ( 0.000 20.800 -12.673) 24.357 11.788 ( 0.000 -0.768 16.891) 16.909 11.798 ( 0.000 -0.811 1.269) 1.506 12.013 ( 0.000 24.548 8.772) 26.069 12.514 ( 0.000 5.903 -5.911) 8.353 12.760 ( 0.000 1.978 -11.573) 11.740 13.005 ( 0.000 -2.929 -0.415) 2.958 13.220 ( 0.000 2.994 -10.916) 11.319 13.903 ( 0.000 1.885 22.331) 22.411 14.956 ( 0.000 -9.886 5.994) 11.561 15.349 ( 0.000 -2.658 5.275) 5.907 15.516 ( 0.000 -21.667 27.958) 35.371 15.650 ( 0.000 -23.551 0.513) 23.556 16.104 ( 0.000 0.925 -7.283) 7.341 16.292 ( 0.000 -1.691 -9.019) 9.176 16.389 ( 0.000 2.067 -26.835) 26.915 16.990 ( 0.000 2.543 -20.508) 20.665 18.390 ( 0.000 3.063 24.212) 24.405 18.832 ( 0.000 -3.999 9.964) 10.736 19.559 ( 0.000 11.238 -1.357) 11.320 20.144 ( 0.000 -0.125 -1.353) 1.359 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 18.092 12.111 17.955) 28.220 1.106 ( 12.201 23.181 13.824) 29.620 2.166 ( 22.356 35.418 32.240) 52.855 2.723 ( -0.305 -7.557 -0.328) 7.570 2.815 ( 3.296 -4.973 2.471) 6.457 3.152 ( 2.098 0.881 -11.440) 11.664 3.497 ( -4.981 3.287 -3.648) 6.994 3.550 ( -2.022 1.808 -1.543) 3.120 4.102 ( -7.502 -7.388 -9.946) 14.484 4.243 ( -6.565 -6.346 -6.360) 11.128 4.334 ( -13.134 -2.008 -8.697) 15.880 4.440 ( -8.260 -4.224 -2.790) 9.688 4.931 ( 5.810 2.498 -3.928) 7.445 5.133 ( -3.731 -1.732 -2.184) 4.658 5.276 ( -3.417 3.531 1.822) 5.241 5.536 ( 2.918 10.145 -4.059) 11.309 5.589 ( 12.709 -3.145 10.987) 17.092 5.898 ( 8.040 4.253 11.693) 14.814 6.176 ( 14.772 4.772 11.151) 19.114 6.617 ( 2.166 -1.756 -2.926) 4.042 6.806 ( 2.785 5.387 1.864) 6.344 6.963 ( 2.017 -11.859 3.399) 12.500 7.396 ( -2.633 -5.765 1.518) 6.518 7.784 ( -4.194 3.222 2.994) 6.078 7.938 ( -4.920 6.559 -3.316) 8.845 7.994 ( -4.818 -2.452 -0.100) 5.407 8.270 ( -2.041 -0.077 -2.870) 3.523 8.483 ( -1.801 5.745 -1.707) 6.258 8.512 ( -2.398 -7.161 -0.047) 7.552 8.643 ( 4.347 -2.718 -1.661) 5.389 8.770 ( 4.098 -0.885 2.326) 4.795 9.081 ( 7.080 1.763 -6.435) 9.729 9.310 ( -2.695 -14.962 -4.202) 15.773 9.732 ( 22.230 -18.233 2.509) 28.860 10.071 ( -2.148 5.389 -4.551) 7.373 10.116 ( 9.744 1.403 1.979) 10.041 10.353 ( -0.167 4.054 -0.253) 4.065 10.484 ( -8.068 1.550 -2.036) 8.464 10.643 ( -0.021 3.126 6.591) 7.295 10.984 ( 13.351 11.857 -13.093) 22.141 11.759 ( -3.005 0.153 5.273) 6.071 11.794 ( 4.095 9.827 -0.532) 10.659 12.258 ( 20.955 12.949 19.330) 31.312 12.643 ( 8.920 4.160 -7.024) 12.092 12.750 ( 1.665 -0.218 -10.267) 10.404 12.997 ( -0.470 -2.608 4.977) 5.638 13.196 ( -1.689 4.847 -12.598) 13.604 13.955 ( 5.318 1.289 22.712) 23.361 14.970 ( -7.155 -2.781 14.413) 16.330 15.005 ( -9.882 -4.133 14.627) 18.130 15.561 ( -9.740 -6.817 -5.822) 13.237 15.609 ( -3.235 -10.993 -1.307) 11.533 15.854 ( -8.033 -11.844 -1.067) 14.351 16.386 ( 2.511 -14.775 -5.731) 16.045 16.491 ( 2.903 0.616 -13.777) 14.093 17.059 ( 2.914 -1.502 -14.829) 15.187 18.499 ( 10.441 2.666 18.370) 21.298 18.753 ( -4.663 3.306 5.227) 7.746 19.533 ( -2.577 11.326 -1.736) 11.745 20.120 ( -2.385 -0.131 -1.541) 2.843 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 16.362 12.881 7.920) 22.280 1.558 ( 24.598 2.336 13.406) 28.112 2.507 ( 8.391 15.983 16.230) 24.275 2.758 ( 1.717 -7.547 0.112) 7.741 3.005 ( 16.125 -1.696 6.082) 17.318 3.208 ( 3.085 -4.260 -13.220) 14.228 3.367 ( -7.956 1.021 -4.472) 9.184 3.473 ( -5.242 2.404 -0.104) 5.768 3.884 ( -12.054 -5.756 -2.965) 13.683 4.031 ( -15.026 0.317 -1.650) 15.119 4.127 ( -6.325 -6.653 -10.279) 13.781 4.225 ( -11.253 -1.184 -2.185) 11.525 4.991 ( -1.812 -0.348 -2.680) 3.254 5.173 ( 8.315 4.385 -7.117) 11.791 5.229 ( 0.017 8.294 -2.934) 8.798 5.607 ( 4.737 9.466 -8.274) 13.436 5.846 ( 13.341 1.325 13.228) 18.834 6.138 ( 14.498 1.819 13.378) 19.811 6.533 ( 18.113 -1.855 10.852) 21.196 6.699 ( 5.700 -0.157 -1.696) 5.949 6.852 ( 0.134 0.209 3.850) 3.858 7.006 ( 2.773 -11.178 0.981) 11.558 7.337 ( -2.832 1.653 0.375) 3.301 7.622 ( -11.774 3.934 -7.638) 14.575 7.852 ( -2.367 1.770 -0.407) 2.983 7.979 ( 0.649 -2.575 -3.801) 4.636 8.175 ( -6.860 -0.610 -3.892) 7.911 8.389 ( -5.038 -1.884 3.723) 6.542 8.525 ( 1.336 -1.619 3.291) 3.903 8.703 ( 1.497 -2.013 0.754) 2.620 8.827 ( 2.559 -1.622 7.653) 8.231 9.224 ( -3.509 -14.539 -1.557) 15.037 9.293 ( 9.912 5.620 -3.454) 11.906 9.977 ( 4.759 -6.275 1.501) 8.017 10.010 ( -3.175 7.708 -3.280) 8.959 10.285 ( -3.346 -0.795 -0.827) 3.537 10.380 ( -0.977 3.497 2.145) 4.217 10.516 ( 21.251 0.375 -0.813) 21.270 10.629 ( -1.153 4.706 8.945) 10.173 11.209 ( 8.577 8.472 -18.097) 21.744 11.760 ( 4.160 0.061 9.023) 9.936 11.966 ( 11.480 10.500 -12.005) 19.651 12.609 ( -4.167 2.181 -7.709) 9.031 12.749 ( 16.159 1.938 16.258) 23.004 12.825 ( -0.858 -6.292 -12.805) 14.293 13.116 ( 14.135 3.980 14.900) 20.920 13.301 ( 18.786 8.598 -7.962) 22.141 14.134 ( 12.793 -1.286 21.626) 25.160 14.684 ( -11.269 3.899 17.255) 20.974 15.061 ( 4.272 -9.034 4.992) 11.171 15.133 ( -24.665 9.030 -17.920) 31.797 15.552 ( -3.733 -5.338 0.017) 6.514 15.871 ( 5.011 -24.702 5.406) 25.778 16.382 ( -4.282 -13.262 -2.662) 14.188 16.411 ( -9.020 -6.645 -2.224) 11.422 16.990 ( -10.428 -4.511 -1.616) 11.476 18.718 ( 3.463 8.384 -3.319) 9.659 18.790 ( 15.434 2.589 7.046) 17.162 19.457 ( -4.998 11.554 -2.797) 12.896 20.047 ( -4.995 -0.135 -2.024) 5.391 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 17.808 3.987 1.454) 18.307 2.021 ( 19.979 -5.037 11.651) 23.670 2.634 ( 6.158 6.886 3.469) 9.868 2.776 ( 0.375 -8.738 1.791) 8.928 3.153 ( -10.007 0.968 -2.623) 10.391 3.234 ( -1.297 -8.292 -8.880) 12.219 3.242 ( 2.161 -13.643 2.027) 13.961 3.356 ( -6.411 4.054 -0.274) 7.590 3.694 ( -6.493 -2.264 -0.686) 6.910 3.779 ( -9.513 -0.448 0.810) 9.558 3.939 ( -9.775 -1.894 -2.186) 10.194 4.069 ( -5.621 -2.676 -9.482) 11.343 5.021 ( 5.490 6.850 0.768) 8.812 5.218 ( -1.433 16.240 1.689) 16.390 5.382 ( 13.045 8.203 -10.404) 18.593 5.787 ( 13.674 3.762 -11.637) 18.345 6.149 ( 16.743 2.578 10.735) 20.056 6.397 ( 7.822 0.889 10.038) 12.757 6.719 ( -7.333 -1.951 0.430) 7.600 6.806 ( 1.243 0.558 1.426) 1.972 6.867 ( 10.979 -4.057 7.185) 13.734 7.065 ( 1.419 -8.670 -0.871) 8.828 7.285 ( -3.187 3.742 2.176) 5.375 7.368 ( -10.494 2.831 -15.570) 18.988 7.840 ( 1.424 0.236 2.026) 2.487 7.995 ( 0.459 -2.826 -4.116) 5.014 8.031 ( -6.012 0.368 -4.240) 7.366 8.272 ( -6.875 -2.526 8.450) 11.182 8.581 ( 4.320 -4.682 5.659) 8.521 8.716 ( 0.701 -1.856 4.648) 5.053 8.870 ( 1.182 -2.637 8.767) 9.231 9.117 ( -6.156 -13.435 1.488) 14.853 9.501 ( 9.602 9.160 -1.245) 13.329 9.929 ( -4.555 10.078 -1.691) 11.188 10.020 ( 0.290 -1.563 -0.473) 1.659 10.188 ( -4.986 -2.817 2.441) 6.225 10.399 ( 1.830 9.397 2.042) 9.789 10.577 ( -2.954 10.143 8.544) 13.587 10.991 ( 23.829 1.459 -0.825) 23.888 11.379 ( 9.993 2.516 -13.747) 17.181 11.860 ( 1.960 -0.905 4.289) 4.802 12.161 ( 6.934 2.378 -7.779) 10.689 12.424 ( -13.333 -0.736 -6.803) 14.986 12.784 ( -3.402 -7.705 -3.131) 8.986 12.896 ( 9.104 6.476 -10.799) 15.538 13.691 ( 30.568 3.941 12.729) 33.346 13.794 ( 30.371 8.750 7.518) 32.488 14.263 ( -12.575 -1.743 -2.699) 12.979 14.649 ( 3.905 1.584 14.961) 15.543 14.725 ( 1.209 10.527 -0.575) 10.612 15.161 ( 5.160 -7.725 4.288) 10.232 15.468 ( -4.310 -4.839 -0.184) 6.483 15.973 ( -2.129 -12.112 9.341) 15.443 16.063 ( -15.140 -9.741 2.557) 18.183 16.315 ( -5.924 -24.394 -2.869) 25.266 16.658 ( -21.386 -4.280 7.268) 22.989 18.826 ( 7.341 10.950 -8.208) 15.529 19.132 ( 17.062 1.102 0.887) 17.120 19.335 ( -7.009 11.781 -4.298) 14.366 19.917 ( -7.997 -0.087 -2.588) 8.406 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 16.069 -3.732 0.264) 16.498 2.275 ( 1.839 -9.191 7.287) 11.873 2.724 ( 1.261 3.955 -3.615) 5.505 2.754 ( -1.948 -7.707 -1.577) 8.104 3.042 ( 3.238 0.940 -2.706) 4.323 3.181 ( -3.444 -2.118 0.529) 4.078 3.195 ( -5.418 -12.951 1.250) 14.094 3.233 ( -4.337 -8.267 4.380) 10.312 3.601 ( -2.039 0.574 -1.972) 2.894 3.635 ( -5.066 -1.344 -0.288) 5.249 3.850 ( 1.662 -4.608 -3.634) 6.099 3.947 ( -6.364 -3.720 -7.803) 10.734 5.117 ( 3.214 16.890 0.912) 17.218 5.173 ( -2.657 19.314 1.940) 19.592 5.774 ( 24.482 5.482 -8.629) 26.531 6.117 ( 16.000 1.549 -7.927) 17.923 6.266 ( -17.611 0.817 -7.348) 19.100 6.440 ( -2.288 4.128 4.276) 6.369 6.554 ( 4.688 3.006 5.994) 8.182 6.778 ( -7.130 0.839 4.029) 8.233 7.018 ( 4.728 -2.484 -2.401) 5.856 7.080 ( 1.167 -6.453 -3.160) 7.279 7.203 ( -1.377 -3.921 0.875) 4.247 7.260 ( -3.894 1.079 -1.969) 4.495 7.901 ( 3.798 -1.951 -3.395) 5.455 7.958 ( -1.867 -1.895 -4.420) 5.158 8.013 ( 2.291 0.701 3.679) 4.390 8.121 ( -7.474 -0.835 9.852) 12.394 8.679 ( 4.644 -7.058 7.367) 11.209 8.734 ( -0.129 -5.692 9.756) 11.296 8.889 ( 2.162 -2.546 4.936) 5.960 8.985 ( -6.494 -8.440 3.508) 11.212 9.677 ( 7.903 9.748 0.150) 12.550 9.820 ( -6.317 10.285 0.049) 12.070 10.034 ( 1.718 -0.662 -0.240) 1.857 10.094 ( -4.081 -1.563 1.640) 4.668 10.444 ( 2.741 13.285 3.549) 14.021 10.509 ( -3.532 13.527 6.215) 15.300 11.440 ( 19.430 0.628 -2.482) 19.598 11.646 ( 16.358 0.439 -6.286) 17.530 11.754 ( -10.727 -1.598 -2.532) 11.137 12.036 ( -19.016 4.419 -3.495) 19.833 12.391 ( 10.719 -9.657 -2.347) 14.617 12.618 ( -10.711 -8.722 -1.779) 13.927 13.271 ( 23.878 9.494 -16.607) 30.595 13.771 ( -23.551 3.567 -16.465) 28.956 14.142 ( 13.225 9.441 2.437) 16.431 14.388 ( -7.482 8.197 5.845) 12.543 14.621 ( 36.034 5.059 16.119) 39.798 15.212 ( 0.757 -7.089 7.730) 10.516 15.280 ( 13.313 -5.294 4.604) 15.048 15.419 ( 8.068 -3.354 9.827) 13.150 15.484 ( -21.107 3.889 10.277) 23.796 16.009 ( -27.357 -12.872 5.762) 30.778 16.147 ( 6.311 -24.049 2.065) 24.949 16.297 ( -9.679 -17.370 4.652) 20.422 18.994 ( 8.968 11.681 -7.955) 16.738 19.173 ( -8.563 11.851 -6.335) 15.934 19.458 ( 14.740 0.491 -1.996) 14.883 19.722 ( -11.380 0.085 -2.829) 11.727 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 29.035 -0.253) 29.036 1.584 ( 0.000 27.174 9.384) 28.749 2.520 ( 0.000 -14.387 3.959) 14.922 2.529 ( 0.000 -17.514 -6.173) 18.570 2.813 ( 0.000 38.300 18.401) 42.491 3.294 ( 0.000 9.872 -6.861) 12.022 3.570 ( 0.000 2.806 -4.227) 5.074 3.742 ( 0.000 9.730 -2.622) 10.077 4.008 ( 0.000 -5.920 -9.128) 10.880 4.145 ( 0.000 -9.469 -0.135) 9.470 4.299 ( 0.000 -11.244 -3.531) 11.785 4.419 ( 0.000 -7.296 -15.908) 17.502 4.906 ( 0.000 2.665 3.285) 4.230 5.160 ( 0.000 -4.999 10.066) 11.239 5.237 ( 0.000 -2.835 0.985) 3.001 5.274 ( 0.000 -6.114 15.752) 16.897 5.789 ( 0.000 12.925 -6.087) 14.287 6.091 ( 0.000 11.883 -3.749) 12.461 6.242 ( 0.000 11.873 7.532) 14.061 6.524 ( 0.000 -4.747 -0.546) 4.778 6.604 ( 0.000 -10.590 8.567) 13.621 7.077 ( 0.000 16.752 1.981) 16.869 7.178 ( 0.000 -14.877 2.919) 15.161 7.872 ( 0.000 -12.442 2.193) 12.633 7.927 ( 0.000 6.080 2.087) 6.428 8.242 ( 0.000 3.318 0.280) 3.330 8.250 ( 0.000 -4.631 -7.370) 8.704 8.338 ( 0.000 -5.818 -3.798) 6.948 8.507 ( 0.000 1.871 -4.676) 5.036 8.636 ( 0.000 -1.187 1.961) 2.292 8.725 ( 0.000 5.434 2.948) 6.182 8.994 ( 0.000 -1.998 -7.569) 7.828 9.042 ( 0.000 -10.007 -3.457) 10.588 9.093 ( 0.000 -10.199 7.037) 12.391 10.130 ( 0.000 6.235 2.115) 6.584 10.218 ( 0.000 5.865 -4.127) 7.171 10.392 ( 0.000 -1.938 0.459) 1.992 10.502 ( 0.000 -6.649 -2.954) 7.276 10.761 ( 0.000 7.070 2.205) 7.406 10.992 ( 0.000 2.553 -4.234) 4.944 11.772 ( 0.000 -0.660 1.990) 2.097 11.776 ( 0.000 -0.314 14.156) 14.160 12.654 ( 0.000 5.751 -8.858) 10.561 12.663 ( 0.000 24.450 5.870) 25.145 12.850 ( 0.000 7.084 -5.947) 9.249 12.998 ( 0.000 10.630 0.119) 10.631 13.228 ( 0.000 -2.621 -9.131) 9.500 14.048 ( 0.000 12.405 17.238) 21.238 14.606 ( 0.000 -25.306 6.687) 26.175 14.957 ( 0.000 -33.550 4.891) 33.905 15.277 ( 0.000 -4.024 17.934) 18.379 15.296 ( 0.000 -2.770 7.038) 7.563 16.142 ( 0.000 2.343 -7.936) 8.275 16.251 ( 0.000 -2.214 -8.467) 8.752 16.513 ( 0.000 8.514 -26.607) 27.936 16.915 ( 0.000 -7.454 -21.580) 22.831 18.483 ( 0.000 5.317 21.594) 22.239 18.732 ( 0.000 -5.298 14.798) 15.717 19.822 ( 0.000 11.650 -1.358) 11.729 20.122 ( 0.000 -2.358 -1.377) 2.731 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 5.914 24.440 3.624) 25.405 1.659 ( 6.871 25.987 7.842) 28.001 2.473 ( -2.436 -15.366 -0.826) 15.580 2.586 ( 3.365 -15.102 0.224) 15.475 2.921 ( 8.815 28.649 12.313) 32.405 3.238 ( -4.834 6.279 -7.735) 11.074 3.519 ( -5.182 1.672 -3.489) 6.467 3.708 ( -3.916 8.266 -1.941) 9.350 3.938 ( -7.155 -6.464 -2.212) 9.893 4.075 ( -3.589 -4.694 -7.292) 9.385 4.259 ( -5.431 -7.439 -4.580) 10.286 4.333 ( -7.974 -4.519 -5.278) 10.576 4.964 ( 5.537 1.102 -3.187) 6.483 5.085 ( -1.877 -2.566 0.908) 3.307 5.272 ( 4.446 -0.372 3.032) 5.395 5.513 ( 16.084 -7.080 13.657) 22.256 5.815 ( 3.726 12.939 0.480) 13.474 6.099 ( 0.846 10.701 -2.710) 11.071 6.328 ( 7.414 9.781 7.771) 14.527 6.543 ( 3.152 -5.726 2.533) 7.010 6.650 ( 4.443 -9.430 5.263) 11.678 6.954 ( -7.644 -0.484 2.565) 8.077 7.306 ( 8.139 2.611 2.417) 8.882 7.836 ( -2.554 -3.593 1.537) 4.669 7.922 ( -0.803 0.272 -0.149) 0.861 8.075 ( -9.678 5.813 -3.784) 11.907 8.244 ( -3.752 -9.287 -1.626) 10.147 8.288 ( -1.735 -4.810 -3.237) 6.052 8.536 ( -2.497 -0.345 -3.355) 4.197 8.613 ( 0.351 -1.697 2.521) 3.059 8.787 ( 2.854 2.746 4.991) 6.372 9.013 ( -2.569 -9.537 0.610) 9.895 9.142 ( 14.625 2.812 -6.213) 16.137 9.417 ( 24.844 -11.389 -0.485) 27.335 10.175 ( 2.976 4.753 -0.241) 5.613 10.190 ( 0.011 5.064 -2.628) 5.705 10.380 ( -2.519 -2.283 -1.098) 3.572 10.439 ( -3.177 -4.460 -0.466) 5.495 10.782 ( 2.287 9.694 2.970) 10.394 11.125 ( 10.679 0.059 -4.419) 11.558 11.790 ( 1.471 2.925 1.422) 3.569 11.895 ( 10.555 0.425 4.465) 11.468 12.654 ( -1.612 11.121 -0.304) 11.241 12.701 ( 2.869 0.793 -4.330) 5.254 12.893 ( 5.687 11.711 -1.905) 13.158 13.040 ( 5.427 18.667 7.236) 20.743 13.227 ( 1.071 -2.880 -9.848) 10.317 14.080 ( 3.278 10.904 17.174) 20.606 14.652 ( 4.345 -23.284 6.705) 24.617 14.979 ( 0.245 -26.946 4.128) 27.262 15.097 ( -8.588 -1.742 14.532) 16.970 15.371 ( 0.763 -9.277 8.592) 12.668 15.864 ( -20.186 5.880 -13.981) 25.249 16.150 ( -8.802 -7.876 -9.183) 14.961 16.591 ( 2.126 7.062 -14.280) 16.073 16.950 ( 0.556 -7.522 -13.706) 15.644 18.580 ( 9.319 4.538 16.115) 19.161 18.760 ( 3.093 -2.215 9.220) 9.974 19.797 ( -2.435 11.696 -1.665) 12.062 20.098 ( -2.390 -2.360 -1.588) 3.715 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 8.723 15.704 8.370) 19.818 1.846 ( 11.342 20.028 5.830) 23.744 2.441 ( -0.431 -14.471 -2.491) 14.690 2.646 ( 2.321 -11.718 5.337) 13.084 3.039 ( 0.503 3.941 -1.804) 4.364 3.143 ( -4.348 -1.048 -8.414) 9.529 3.365 ( -9.083 1.197 -1.177) 9.237 3.569 ( -9.203 -0.242 1.497) 9.327 3.778 ( -7.673 0.839 1.004) 7.784 4.014 ( -5.941 -0.990 -8.107) 10.099 4.087 ( -8.948 2.131 -6.720) 11.392 4.156 ( -8.415 -4.207 0.492) 9.421 5.031 ( 5.023 5.266 0.760) 7.317 5.225 ( 12.941 0.373 -14.154) 19.182 5.402 ( 8.882 7.603 0.417) 11.699 5.841 ( 12.898 3.548 4.202) 14.022 5.930 ( 7.654 7.166 10.219) 14.641 6.178 ( 9.691 2.514 4.769) 11.089 6.450 ( 3.923 -4.222 6.973) 9.046 6.680 ( 8.273 -1.147 3.594) 9.093 6.783 ( 4.921 -5.556 2.871) 7.958 6.819 ( -1.248 -5.200 4.037) 6.701 7.450 ( 4.903 9.421 1.586) 10.738 7.731 ( -10.631 6.180 -4.897) 13.236 7.898 ( -6.131 1.464 -5.929) 8.654 7.917 ( 0.620 -3.331 -2.050) 3.960 8.147 ( -6.770 -3.176 -3.726) 8.355 8.224 ( -3.009 -10.533 1.142) 11.014 8.483 ( -1.859 -1.830 0.373) 2.635 8.651 ( 3.171 -5.548 8.170) 10.372 8.788 ( -2.440 0.383 5.320) 5.865 8.954 ( -2.847 -7.914 6.027) 10.347 9.482 ( 16.010 9.814 -4.625) 19.339 9.830 ( 13.247 -6.840 -0.022) 14.909 10.130 ( -2.596 3.688 -4.357) 6.271 10.252 ( -6.117 -2.013 -1.618) 6.640 10.403 ( 10.293 -0.577 1.266) 10.386 10.503 ( 13.839 -2.169 -1.257) 14.064 10.835 ( 2.726 14.137 4.636) 15.126 11.353 ( 10.979 0.115 -7.463) 13.276 11.801 ( -0.228 5.982 0.190) 5.989 12.119 ( 8.014 1.216 -11.599) 14.150 12.566 ( -6.918 -2.414 -3.075) 7.946 12.701 ( -3.470 -4.974 -1.947) 6.369 13.046 ( 7.130 17.914 -2.167) 19.402 13.283 ( 20.504 14.904 15.285) 29.600 13.418 ( 20.757 2.723 -1.753) 21.008 14.186 ( 7.201 6.363 15.832) 18.520 14.767 ( 5.200 -16.591 5.989) 18.390 14.816 ( -9.640 5.342 10.880) 15.486 15.121 ( 5.452 -27.011 3.755) 27.810 15.302 ( -8.922 -10.191 3.763) 14.057 15.486 ( -13.576 3.757 -10.054) 17.307 15.964 ( -9.227 -15.999 -9.285) 20.671 16.507 ( -10.779 6.921 -0.788) 12.834 16.855 ( -10.643 -7.670 -1.328) 13.186 18.828 ( 13.753 3.154 5.178) 15.030 18.870 ( 8.540 2.806 1.054) 9.050 19.724 ( -4.833 11.770 -2.516) 12.970 20.025 ( -4.957 -2.336 -2.145) 5.885 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 9.345 8.817 7.811) 15.037 2.068 ( 8.983 8.125 7.081) 14.030 2.446 ( 0.630 -14.371 -1.865) 14.505 2.698 ( 3.478 -13.748 5.023) 15.044 2.928 ( -10.197 -3.321 -6.077) 12.327 3.056 ( -3.096 -5.342 -6.334) 8.846 3.225 ( -4.741 1.009 -0.111) 4.849 3.385 ( -7.896 -5.321 2.919) 9.959 3.639 ( -5.534 2.981 -1.419) 6.444 3.815 ( -10.349 1.989 -3.784) 11.197 3.895 ( -10.234 -1.615 -3.233) 10.853 4.019 ( -7.085 -2.696 -6.304) 9.860 5.264 ( 15.758 14.128 -1.117) 21.194 5.478 ( 10.742 5.410 -14.394) 18.758 5.637 ( 13.573 14.801 2.875) 20.287 5.932 ( 3.865 10.077 -8.794) 13.921 6.197 ( 14.225 -0.186 12.030) 18.631 6.428 ( 3.439 3.015 6.371) 7.843 6.542 ( 13.369 -17.487 4.595) 22.487 6.708 ( 0.781 -6.008 4.314) 7.437 6.842 ( 2.702 2.192 5.089) 6.164 6.946 ( 2.927 -2.699 4.823) 6.254 7.398 ( -14.608 6.423 -4.732) 16.644 7.464 ( -9.489 6.137 -9.022) 14.460 7.842 ( 0.096 -0.632 -4.839) 4.881 7.938 ( 0.912 -2.846 -2.798) 4.094 8.030 ( -3.481 -0.516 -2.194) 4.147 8.158 ( -4.058 -7.202 5.148) 9.738 8.485 ( 2.437 -2.551 5.550) 6.576 8.703 ( -0.239 -0.940 12.726) 12.763 8.734 ( -0.418 -7.336 5.316) 9.069 8.894 ( -3.376 -6.628 7.424) 10.509 9.728 ( 8.782 10.262 -0.764) 13.528 9.978 ( 3.258 -2.296 0.548) 4.023 10.074 ( -3.551 3.183 -1.780) 5.090 10.133 ( -4.807 -1.947 -0.184) 5.190 10.593 ( 10.966 7.697 -0.628) 13.413 10.888 ( 2.437 18.968 4.951) 19.755 10.958 ( 25.474 -5.844 -3.433) 26.360 11.531 ( 6.346 8.566 -11.464) 15.655 11.818 ( 2.459 -4.411 3.366) 6.068 12.128 ( -5.469 -0.098 -12.298) 13.459 12.366 ( -12.841 -5.747 -8.105) 16.236 12.577 ( -8.532 -10.093 1.512) 13.302 13.271 ( 15.929 26.270 -7.613) 31.651 13.807 ( 26.399 6.289 7.338) 28.113 13.966 ( 30.910 5.703 8.121) 32.464 14.327 ( 2.858 4.995 7.163) 9.188 14.638 ( -0.230 1.527 11.344) 11.449 14.932 ( 7.705 -9.721 7.264) 14.374 14.993 ( -11.449 6.535 -3.529) 13.647 15.312 ( 0.218 -14.047 0.486) 14.057 15.329 ( 3.448 -25.558 3.348) 26.006 15.773 ( -10.046 -22.364 -8.980) 26.110 16.167 ( -22.408 7.718 8.854) 25.300 16.526 ( -21.481 -7.573 7.771) 24.066 19.037 ( 9.955 7.544 -4.881) 13.410 19.155 ( 15.773 0.644 -0.230) 15.788 19.604 ( -7.106 11.692 -3.718) 14.178 19.897 ( -7.814 -2.192 -2.834) 8.596 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 7.843 1.488 6.636) 10.381 2.147 ( -1.616 -1.747 7.486) 7.855 2.490 ( 4.770 -15.850 -0.508) 16.560 2.642 ( -9.190 -19.339 -1.175) 21.444 2.894 ( 6.863 3.547 -1.973) 7.974 2.999 ( -3.030 -0.917 -0.234) 3.174 3.161 ( -0.248 -0.721 2.555) 2.666 3.245 ( -6.959 -3.305 -1.318) 7.816 3.585 ( 0.105 0.891 -2.458) 2.616 3.647 ( -6.089 2.998 -2.329) 7.175 3.762 ( -0.466 -4.149 -4.821) 6.378 3.860 ( -7.859 -4.587 -6.894) 11.417 5.515 ( 7.969 18.038 -2.600) 19.891 5.605 ( -0.226 18.122 -0.813) 18.141 5.895 ( 14.512 4.581 -11.082) 18.825 6.132 ( 2.105 -2.153 -3.471) 4.595 6.290 ( 7.263 3.916 -8.583) 11.906 6.561 ( 11.507 5.135 6.570) 14.211 6.660 ( -12.155 6.302 6.089) 14.984 6.801 ( -3.721 0.846 4.195) 5.671 6.884 ( 8.109 -9.137 0.330) 12.221 6.940 ( 7.780 -6.230 3.081) 10.433 7.113 ( -9.798 -3.061 0.850) 10.300 7.249 ( -12.546 -2.932 -1.212) 12.941 7.879 ( 3.043 0.378 -7.716) 8.303 7.933 ( -1.609 0.347 -5.587) 5.824 8.015 ( 1.398 -0.574 3.669) 3.968 8.070 ( -4.005 -3.939 5.268) 7.701 8.568 ( 4.914 -2.218 10.531) 11.831 8.653 ( -3.287 -0.820 12.768) 13.210 8.765 ( 2.038 -8.062 6.764) 10.719 8.821 ( -3.505 -6.452 6.623) 9.888 9.869 ( 5.934 6.934 1.248) 9.212 9.981 ( -5.233 4.252 1.001) 6.817 10.019 ( 1.663 -1.049 0.199) 1.976 10.062 ( -2.708 -1.365 0.077) 3.033 10.801 ( 8.308 18.135 -1.234) 19.986 10.904 ( -1.758 22.194 2.391) 22.391 11.450 ( 22.025 -5.777 -3.979) 23.115 11.669 ( 9.872 7.159 -7.975) 14.571 11.775 ( -9.836 -2.290 -3.149) 10.579 11.959 ( -14.948 -6.080 -5.886) 17.177 12.199 ( 3.629 -7.863 -3.783) 9.451 12.377 ( -10.682 -12.864 -0.502) 16.728 13.632 ( 18.620 24.026 -9.295) 31.786 13.969 ( -11.986 15.108 -7.990) 20.875 14.386 ( 10.633 11.646 3.300) 16.111 14.547 ( 7.243 3.258 8.921) 11.944 14.723 ( 14.605 1.823 6.350) 16.030 15.022 ( 5.825 -12.097 -3.201) 13.803 15.095 ( 10.463 -10.483 6.408) 16.138 15.244 ( 4.905 -10.970 4.360) 12.783 15.529 ( -9.707 -23.203 -3.333) 25.372 15.557 ( 0.347 -10.647 10.019) 14.624 15.682 ( -13.897 -1.832 11.812) 18.331 16.032 ( -25.697 -9.277 13.639) 30.536 19.243 ( 10.220 10.021 -5.846) 15.461 19.434 ( -4.799 9.299 -5.115) 11.647 19.463 ( 9.638 1.085 -2.732) 10.076 19.708 ( -10.911 -1.769 -3.272) 11.527 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 -14.306 -4.512) 15.000 2.032 ( 0.000 14.306 -4.512) 15.000 2.150 ( 0.000 -11.103 4.874) 12.125 2.150 ( 0.000 11.103 4.874) 12.125 3.352 ( 0.000 -9.097 -7.565) 11.831 3.352 ( 0.000 9.097 -7.565) 11.831 3.737 ( 0.000 -11.794 1.438) 11.881 3.737 ( 0.000 11.794 1.438) 11.881 4.045 ( 0.000 -11.789 -2.013) 11.960 4.045 ( 0.000 11.789 -2.013) 11.960 4.172 ( 0.000 -11.925 -3.949) 12.562 4.172 ( 0.000 11.925 -3.949) 12.562 5.015 ( 0.000 -7.352 7.827) 10.739 5.015 ( 0.000 7.352 7.827) 10.739 5.199 ( 0.000 -0.078 4.104) 4.104 5.199 ( 0.000 0.078 4.104) 4.104 6.063 ( 0.000 -11.824 -3.133) 12.232 6.063 ( 0.000 11.824 -3.133) 12.232 6.397 ( 0.000 -6.634 4.009) 7.751 6.397 ( 0.000 6.634 4.009) 7.751 6.792 ( 0.000 -19.666 5.418) 20.399 6.792 ( 0.000 19.666 5.418) 20.399 7.490 ( 0.000 -20.417 1.655) 20.484 7.490 ( 0.000 20.417 1.655) 20.484 8.079 ( 0.000 -7.935 -1.138) 8.016 8.079 ( 0.000 7.935 -1.138) 8.016 8.305 ( 0.000 -1.806 -3.251) 3.719 8.305 ( 0.000 1.806 -3.251) 3.719 8.566 ( 0.000 -3.742 -1.768) 4.139 8.566 ( 0.000 3.742 -1.768) 4.139 8.865 ( 0.000 -7.631 6.000) 9.708 8.865 ( 0.000 7.631 6.000) 9.708 8.974 ( 0.000 -0.828 -5.743) 5.802 8.974 ( 0.000 0.828 -5.743) 5.802 10.282 ( 0.000 -7.195 0.583) 7.219 10.282 ( 0.000 7.195 0.583) 7.219 10.355 ( 0.000 -6.683 -3.576) 7.579 10.355 ( 0.000 6.683 -3.576) 7.579 10.929 ( 0.000 -6.938 -0.007) 6.938 10.929 ( 0.000 6.938 -0.007) 6.938 11.771 ( 0.000 -0.225 7.730) 7.733 11.771 ( 0.000 0.225 7.730) 7.733 12.747 ( 0.000 -3.258 -4.060) 5.205 12.747 ( 0.000 3.258 -4.060) 5.205 13.044 ( 0.000 -9.337 -6.880) 11.597 13.044 ( 0.000 9.337 -6.880) 11.597 13.794 ( 0.000 -44.032 6.211) 44.468 13.794 ( 0.000 44.032 6.211) 44.468 14.408 ( 0.000 -20.022 10.454) 22.587 14.408 ( 0.000 20.022 10.454) 22.587 15.254 ( 0.000 -0.950 10.496) 10.539 15.254 ( 0.000 0.950 10.496) 10.539 16.197 ( 0.000 -2.641 -8.076) 8.497 16.197 ( 0.000 2.641 -8.076) 8.497 16.719 ( 0.000 -9.961 -23.749) 25.754 16.719 ( 0.000 9.961 -23.749) 25.754 18.608 ( 0.000 -6.026 18.315) 19.281 18.608 ( 0.000 6.026 18.315) 19.281 20.025 ( 0.000 -6.924 -1.382) 7.061 20.025 ( 0.000 6.924 -1.382) 7.061 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.748 -20.070 -1.903) 20.173 2.040 ( 0.748 20.070 -1.903) 20.173 2.192 ( 4.009 -18.928 3.889) 19.735 2.192 ( 4.009 18.928 3.889) 19.735 3.283 ( -6.858 -5.671 -8.140) 12.060 3.283 ( -6.858 5.671 -8.140) 12.060 3.642 ( -8.216 -9.502 1.839) 12.695 3.642 ( -8.216 9.502 1.839) 12.695 4.023 ( -2.718 -9.705 -3.144) 10.558 4.023 ( -2.718 9.705 -3.144) 10.558 4.187 ( -0.004 -8.347 -3.164) 8.927 4.187 ( -0.004 8.347 -3.164) 8.927 5.016 ( 2.511 -3.690 1.567) 4.731 5.016 ( 2.511 3.690 1.567) 4.731 5.332 ( 11.672 -6.635 7.684) 15.469 5.332 ( 11.672 6.635 7.684) 15.469 6.072 ( 1.156 -10.261 -1.533) 10.439 6.072 ( 1.156 10.261 -1.533) 10.439 6.485 ( 8.054 -3.770 4.384) 9.914 6.485 ( 8.054 3.770 4.384) 9.914 6.725 ( -5.449 -15.702 4.905) 17.329 6.725 ( -5.449 15.702 4.905) 17.329 7.567 ( 6.622 -16.489 2.070) 17.889 7.567 ( 6.622 16.489 2.070) 17.889 8.034 ( -3.291 -7.401 -1.959) 8.333 8.034 ( -3.291 7.401 -1.959) 8.333 8.202 ( -7.919 -5.676 -2.503) 10.060 8.202 ( -7.919 5.676 -2.503) 10.060 8.552 ( -2.127 -2.463 -2.865) 4.335 8.552 ( -2.127 2.463 -2.865) 4.335 8.873 ( -0.454 -4.720 7.693) 9.038 8.873 ( -0.454 4.720 7.693) 9.038 9.233 ( 22.258 -5.937 -5.362) 23.651 9.233 ( 22.258 5.937 -5.362) 23.651 10.290 ( -2.219 -5.285 -1.696) 5.978 10.290 ( -2.219 5.285 -1.696) 5.978 10.314 ( 0.204 -6.387 -1.173) 6.497 10.314 ( 0.204 6.387 -1.173) 6.497 11.007 ( 6.802 -9.566 0.593) 11.753 11.007 ( 6.802 9.566 0.593) 11.753 11.862 ( 7.994 -2.982 2.498) 8.890 11.862 ( 7.994 2.982 2.498) 8.890 12.714 ( -3.519 -0.849 -3.416) 4.977 12.714 ( -3.519 0.849 -3.416) 4.977 13.075 ( 4.206 -8.747 -3.807) 10.426 13.075 ( 4.206 8.747 -3.807) 10.426 13.841 ( 4.555 -41.839 6.688) 42.614 13.841 ( 4.555 41.839 6.688) 42.614 14.454 ( 4.663 -18.338 9.843) 21.329 14.454 ( 4.663 18.338 9.843) 21.329 15.201 ( -5.209 -6.544 10.295) 13.264 15.201 ( -5.209 6.544 10.295) 13.264 16.001 ( -15.440 -6.499 -11.960) 20.583 16.001 ( -15.440 6.499 -11.960) 20.583 16.767 ( 1.049 -8.833 -13.919) 16.519 16.767 ( 1.049 8.833 -13.919) 16.519 18.682 ( 7.167 -4.575 13.026) 15.555 18.682 ( 7.167 4.575 13.026) 15.555 20.001 ( -2.392 -6.935 -1.631) 7.514 20.001 ( -2.392 6.935 -1.631) 7.514 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.241 -18.909 0.389) 19.045 2.068 ( 2.241 18.909 0.389) 19.045 2.288 ( 4.503 -19.565 5.650) 20.856 2.288 ( 4.503 19.565 5.650) 20.856 3.103 ( -9.559 -2.746 -9.178) 13.533 3.103 ( -9.559 2.746 -9.178) 13.533 3.448 ( -10.323 -6.251 2.689) 12.365 3.448 ( -10.323 6.251 2.689) 12.365 3.922 ( -7.176 -8.024 -3.812) 11.420 3.922 ( -7.176 8.024 -3.812) 11.420 4.120 ( -6.807 -0.563 -3.418) 7.638 4.120 ( -6.807 0.563 -3.418) 7.638 5.176 ( 13.163 -5.448 -7.642) 16.166 5.176 ( 13.163 5.448 -7.642) 16.166 5.632 ( 17.530 -14.430 10.749) 25.121 5.632 ( 17.530 14.430 10.749) 25.121 6.120 ( 3.499 -7.287 1.543) 8.229 6.120 ( 3.499 7.287 1.543) 8.229 6.569 ( -3.606 -10.946 3.044) 11.919 6.569 ( -3.606 10.946 3.044) 11.919 6.734 ( 9.892 -1.798 5.871) 11.643 6.734 ( 9.892 1.798 5.871) 11.643 7.708 ( 5.938 -12.170 1.955) 13.682 7.708 ( 5.938 12.170 1.955) 13.682 7.897 ( -12.413 -4.482 -5.605) 14.338 7.897 ( -12.413 4.482 -5.605) 14.338 8.075 ( -2.457 -0.712 -3.698) 4.496 8.075 ( -2.457 0.712 -3.698) 4.496 8.514 ( -0.913 -4.828 1.609) 5.170 8.514 ( -0.913 4.828 1.609) 5.170 8.843 ( -2.450 -3.694 10.601) 11.491 8.843 ( -2.450 3.694 10.601) 11.491 9.676 ( 17.997 -7.893 -3.021) 19.883 9.676 ( 17.997 7.893 -3.021) 19.883 10.197 ( -4.854 -2.889 -3.341) 6.563 10.197 ( -4.854 2.889 -3.341) 6.563 10.430 ( 11.214 -3.267 -0.416) 11.687 10.430 ( 11.214 3.267 -0.416) 11.687 11.167 ( 8.580 -14.523 1.312) 16.919 11.167 ( 8.580 14.523 1.312) 16.919 12.007 ( 3.943 -9.964 -8.260) 13.530 12.007 ( 3.943 9.964 -8.260) 13.530 12.595 ( -8.518 -4.285 -2.282) 9.804 12.595 ( -8.518 4.285 -2.282) 9.804 13.290 ( 18.688 -7.626 1.633) 20.251 13.290 ( 18.688 7.626 1.633) 20.251 13.971 ( 8.200 -34.096 8.124) 35.997 13.971 ( 8.200 34.096 8.124) 35.997 14.597 ( 9.496 -13.596 8.864) 18.804 14.597 ( 9.496 13.596 8.864) 18.804 15.053 ( -9.039 -11.551 9.300) 17.367 15.053 ( -9.039 11.551 9.300) 17.367 15.683 ( -15.044 -11.140 -13.102) 22.849 15.683 ( -15.044 11.140 -13.102) 22.849 16.677 ( -10.568 -8.456 -1.025) 13.573 16.677 ( -10.568 8.456 -1.025) 13.573 18.881 ( 12.019 -1.385 3.662) 12.641 18.881 ( 12.019 1.385 3.662) 12.641 19.928 ( -4.872 -6.912 -2.308) 8.766 19.928 ( -4.872 6.912 -2.308) 8.766 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.278 -14.641 1.399) 15.069 2.128 ( 3.278 14.641 1.399) 15.069 2.325 ( -1.508 -15.586 8.584) 17.857 2.325 ( -1.508 15.586 8.584) 17.857 2.969 ( -2.378 -3.571 -8.047) 9.119 2.969 ( -2.378 3.571 -8.047) 9.119 3.261 ( -7.460 -3.613 1.859) 8.494 3.261 ( -7.460 3.613 1.859) 8.494 3.756 ( -8.230 -5.717 -3.952) 10.772 3.756 ( -8.230 5.717 -3.952) 10.772 3.943 ( -9.880 -4.139 -4.106) 11.472 3.943 ( -9.880 4.139 -4.106) 11.472 5.490 ( 16.403 -4.703 -12.799) 21.330 5.490 ( 16.403 4.703 -12.799) 21.330 5.994 ( 15.058 -17.403 10.947) 25.484 5.994 ( 15.058 17.403 10.947) 25.484 6.184 ( 3.858 -10.824 -1.665) 11.611 6.184 ( 3.858 10.824 -1.665) 11.611 6.562 ( 5.555 -7.586 5.221) 10.754 6.562 ( 5.555 7.586 5.221) 10.754 6.895 ( 3.374 -2.463 6.824) 8.001 6.895 ( 3.374 2.463 6.824) 8.001 7.531 ( -19.095 -3.202 -7.713) 20.841 7.531 ( -19.095 3.202 -7.713) 20.841 7.847 ( 4.476 -3.778 -1.692) 6.096 7.847 ( 4.476 3.778 -1.692) 6.096 8.043 ( -1.752 -2.475 -0.544) 3.080 8.043 ( -1.752 2.475 -0.544) 3.080 8.530 ( 2.593 -6.597 5.637) 9.056 8.530 ( 2.593 6.597 5.637) 9.056 8.781 ( -3.638 -4.352 12.041) 13.310 8.781 ( -3.638 4.352 12.041) 13.310 9.900 ( 5.629 -5.506 0.787) 7.913 9.900 ( 5.629 5.506 0.787) 7.913 10.107 ( -4.037 -0.808 -1.694) 4.452 10.107 ( -4.037 0.808 -1.694) 4.452 10.773 ( 20.876 -9.383 -3.814) 23.203 10.773 ( 20.876 9.383 -3.814) 23.203 11.337 ( 7.728 -20.229 1.730) 21.724 11.337 ( 7.728 20.229 1.730) 21.724 11.993 ( -4.037 -14.143 -12.523) 19.317 11.993 ( -4.037 14.143 -12.523) 19.317 12.376 ( -12.754 -7.813 -0.884) 14.983 12.376 ( -12.754 7.813 -0.884) 14.983 13.793 ( 27.813 -13.836 -2.780) 31.189 13.793 ( 27.813 13.836 -2.780) 31.189 14.170 ( 11.699 -17.983 10.178) 23.745 14.170 ( 11.699 17.983 10.178) 23.745 14.793 ( 2.216 -12.392 5.744) 13.837 14.793 ( 2.216 12.392 5.744) 13.837 14.904 ( 2.706 -9.104 11.554) 14.957 14.904 ( 2.706 9.104 11.554) 14.957 15.404 ( -12.701 -12.725 -12.047) 21.642 15.404 ( -12.701 12.725 -12.047) 21.642 16.347 ( -21.695 -8.662 8.326) 24.800 16.347 ( -21.695 8.662 8.326) 24.800 19.141 ( 13.343 -2.359 -2.111) 13.713 19.141 ( 13.343 2.359 -2.111) 13.713 19.804 ( -7.466 -6.705 -3.217) 10.538 19.804 ( -7.466 6.705 -3.217) 10.538 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.626 -11.001 3.894) 11.962 2.185 ( 2.626 11.001 3.894) 11.962 2.254 ( -4.265 -12.764 6.707) 15.036 2.254 ( -4.265 12.764 6.707) 15.036 3.009 ( 5.520 -2.676 -2.874) 6.774 3.009 ( 5.520 2.676 -2.874) 6.774 3.139 ( -6.033 -2.455 -0.773) 6.559 3.139 ( -6.033 2.455 -0.773) 6.559 3.656 ( -0.145 -4.362 -4.172) 6.037 3.656 ( -0.145 4.362 -4.172) 6.037 3.752 ( -8.350 -5.030 -4.443) 10.713 3.752 ( -8.350 5.030 -4.443) 10.713 5.792 ( 13.035 -4.582 -10.143) 17.141 5.792 ( 13.035 4.582 -10.143) 17.141 6.005 ( -7.847 -7.886 -2.235) 11.348 6.005 ( -7.847 7.886 -2.235) 11.348 6.478 ( 19.305 -11.651 -0.732) 22.560 6.478 ( 19.305 11.651 -0.732) 22.560 6.785 ( 11.134 -6.375 4.045) 13.452 6.785 ( 11.134 6.375 4.045) 13.452 6.817 ( -7.449 -2.697 7.698) 11.046 6.817 ( -7.449 2.697 7.698) 11.046 7.138 ( -18.874 -5.443 -1.671) 19.714 7.138 ( -18.874 5.443 -1.671) 19.714 7.930 ( 3.830 -3.107 -1.947) 5.303 7.930 ( 3.830 3.107 -1.947) 5.303 7.998 ( -2.778 -1.083 -0.952) 3.129 7.998 ( -2.778 1.083 -0.952) 3.129 8.606 ( 4.542 -5.492 9.006) 11.485 8.606 ( 4.542 5.492 9.006) 11.485 8.699 ( -4.441 -4.526 11.294) 12.952 8.699 ( -4.441 4.526 11.294) 12.952 9.974 ( 2.846 -3.238 1.283) 4.497 9.974 ( 2.846 3.238 1.283) 4.497 10.034 ( -3.262 -1.465 0.212) 3.583 10.034 ( -3.262 1.465 0.212) 3.583 11.180 ( 17.738 -16.224 -4.887) 24.531 11.180 ( 17.738 16.224 -4.887) 24.531 11.410 ( -3.275 -22.984 -0.917) 23.234 11.410 ( -3.275 22.984 -0.917) 23.234 11.942 ( 2.165 -13.015 -8.345) 15.612 11.942 ( 2.165 13.015 -8.345) 15.612 12.110 ( -12.548 -10.257 -1.339) 16.262 12.110 ( -12.548 10.257 -1.339) 16.262 14.229 ( 14.064 -24.243 -2.829) 28.170 14.229 ( 14.064 24.243 -2.829) 28.170 14.385 ( 2.161 -13.573 3.527) 14.189 14.385 ( 2.161 13.573 3.527) 14.189 14.770 ( 8.507 -12.517 -0.278) 15.137 14.770 ( 8.507 12.517 -0.278) 15.137 15.031 ( -8.766 -6.553 -2.500) 11.227 15.031 ( -8.766 6.553 -2.500) 11.227 15.331 ( 16.987 -4.342 9.304) 19.848 15.331 ( 16.987 4.342 9.304) 19.848 15.836 ( -27.735 -8.956 14.530) 32.566 15.836 ( -27.735 8.956 14.530) 32.566 19.402 ( 12.271 -4.703 -4.055) 13.752 19.402 ( 12.271 4.703 -4.055) 13.752 19.628 ( -10.058 -6.072 -4.014) 12.415 19.628 ( -10.058 6.072 -4.014) 12.415 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 0.000 27.961) 27.961 1.427 ( 0.000 0.000 32.183) 32.183 2.347 ( 0.000 0.000 41.640) 41.640 2.750 ( 0.000 0.000 -18.830) 18.830 2.883 ( 0.000 0.000 6.395) 6.395 2.905 ( 0.000 0.000 5.150) 5.150 3.501 ( 0.000 0.000 1.066) 1.066 3.525 ( 0.000 0.000 -1.629) 1.629 3.992 ( 0.000 0.000 -20.629) 20.629 4.091 ( 0.000 0.000 -17.052) 17.052 4.150 ( 0.000 0.000 -9.881) 9.881 4.526 ( 0.000 0.000 -4.936) 4.936 4.973 ( 0.000 0.000 5.287) 5.287 5.230 ( 0.000 0.000 -1.747) 1.747 5.403 ( 0.000 0.000 -3.201) 3.201 5.405 ( 0.000 0.000 6.256) 6.256 5.601 ( 0.000 0.000 13.724) 13.724 5.963 ( 0.000 0.000 8.636) 8.636 6.351 ( 0.000 0.000 23.944) 23.944 6.527 ( 0.000 0.000 -4.617) 4.617 6.726 ( 0.000 0.000 3.497) 3.497 7.171 ( 0.000 0.000 3.872) 3.872 7.437 ( 0.000 0.000 -7.619) 7.619 7.837 ( 0.000 0.000 1.149) 1.149 7.900 ( 0.000 0.000 4.470) 4.470 8.101 ( 0.000 0.000 -13.924) 13.924 8.106 ( 0.000 0.000 -16.450) 16.450 8.286 ( 0.000 0.000 -9.254) 9.254 8.464 ( 0.000 0.000 6.757) 6.757 8.524 ( 0.000 0.000 -1.280) 1.280 8.720 ( 0.000 0.000 -1.597) 1.597 8.863 ( 0.000 0.000 -9.106) 9.106 9.330 ( 0.000 0.000 -10.754) 10.754 9.835 ( 0.000 0.000 2.365) 2.365 9.970 ( 0.000 0.000 -5.035) 5.035 10.201 ( 0.000 0.000 3.051) 3.051 10.338 ( 0.000 0.000 3.065) 3.065 10.360 ( 0.000 0.000 18.389) 18.389 10.651 ( 0.000 0.000 -3.101) 3.101 10.773 ( 0.000 0.000 8.798) 8.798 11.873 ( 0.000 0.000 -0.804) 0.804 11.918 ( 0.000 0.000 12.403) 12.403 12.314 ( 0.000 0.000 -9.789) 9.789 12.329 ( 0.000 0.000 33.689) 33.689 12.385 ( 0.000 0.000 -17.967) 17.967 12.987 ( 0.000 0.000 -10.311) 10.311 13.176 ( 0.000 0.000 17.071) 17.071 14.385 ( 0.000 0.000 24.096) 24.096 15.242 ( 0.000 0.000 11.682) 11.682 15.389 ( 0.000 0.000 -35.750) 35.750 15.468 ( 0.000 0.000 1.073) 1.073 15.790 ( 0.000 0.000 -15.053) 15.053 16.088 ( 0.000 0.000 -13.622) 13.622 16.180 ( 0.000 0.000 -1.620) 1.620 16.217 ( 0.000 0.000 1.059) 1.059 16.701 ( 0.000 0.000 -3.964) 3.964 18.882 ( 0.000 0.000 24.578) 24.578 18.946 ( 0.000 0.000 3.507) 3.507 19.379 ( 0.000 0.000 -2.706) 2.706 20.100 ( 0.000 0.000 -2.969) 2.969 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 6.440 0.000 25.406) 26.209 1.585 ( 14.682 0.000 27.729) 31.376 2.595 ( 21.879 0.000 37.679) 43.571 2.779 ( 2.714 0.000 -18.679) 18.875 2.845 ( -2.845 0.000 3.562) 4.559 2.933 ( 2.664 0.000 5.227) 5.867 3.402 ( -7.703 0.000 -0.871) 7.752 3.544 ( 0.439 0.000 -0.969) 1.064 3.923 ( -6.299 0.000 -15.473) 16.706 4.043 ( -4.384 0.000 -16.202) 16.785 4.118 ( -4.365 0.000 -12.116) 12.878 4.431 ( -9.048 0.000 -3.862) 9.838 4.933 ( -2.613 0.000 4.448) 5.159 5.143 ( -11.587 0.000 2.429) 11.839 5.193 ( -3.106 0.000 -0.397) 3.132 5.415 ( 0.597 0.000 4.001) 4.045 5.868 ( 13.096 0.000 7.570) 15.126 6.080 ( 11.100 0.000 9.926) 14.891 6.502 ( 13.878 0.000 19.772) 24.156 6.540 ( 1.805 0.000 -4.614) 4.955 6.809 ( 7.359 0.000 4.815) 8.795 7.120 ( -3.429 0.000 -0.293) 3.442 7.407 ( -3.689 0.000 -5.950) 7.000 7.661 ( -15.708 0.000 -7.361) 17.347 7.925 ( 2.321 0.000 5.529) 5.997 8.058 ( -2.752 0.000 -2.987) 4.061 8.085 ( -2.378 0.000 -14.457) 14.651 8.343 ( 4.750 0.000 0.360) 4.764 8.558 ( 2.495 0.000 -1.963) 3.174 8.598 ( 8.719 0.000 -2.973) 9.212 8.744 ( 4.000 0.000 -2.147) 4.540 8.976 ( 9.673 0.000 -4.539) 10.686 9.357 ( 2.109 0.000 -9.619) 9.847 9.904 ( -5.781 0.000 -6.480) 8.684 10.039 ( 16.566 0.000 -3.123) 16.858 10.276 ( 7.424 0.000 2.430) 7.811 10.283 ( -4.248 0.000 13.431) 14.087 10.350 ( 1.249 0.000 5.110) 5.261 10.722 ( 3.721 0.000 -0.299) 3.733 10.798 ( 2.229 0.000 8.748) 9.028 11.734 ( -9.380 0.000 10.116) 13.796 11.860 ( 0.562 0.000 2.542) 2.603 12.367 ( -0.069 0.000 -12.098) 12.098 12.413 ( 6.256 0.000 -20.592) 21.522 12.711 ( 29.051 0.000 30.317) 41.989 12.926 ( -5.724 0.000 -8.785) 10.485 13.273 ( 9.586 0.000 20.278) 22.429 14.437 ( 5.536 0.000 23.518) 24.161 15.013 ( -26.711 0.000 -32.490) 42.060 15.260 ( 1.715 0.000 11.013) 11.145 15.357 ( -11.408 0.000 8.883) 14.459 15.722 ( -12.811 0.000 -1.342) 12.881 16.038 ( 13.767 0.000 -11.465) 17.916 16.250 ( 3.105 0.000 -2.243) 3.830 16.626 ( 20.909 0.000 -16.530) 26.654 16.690 ( -1.045 0.000 -3.545) 3.696 18.779 ( -13.932 0.000 5.388) 14.938 18.906 ( 2.500 0.000 21.516) 21.661 19.339 ( -3.903 0.000 -3.471) 5.224 20.071 ( -2.842 0.000 -3.257) 4.323 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.466 0.000 16.590) 19.616 1.961 ( 21.323 0.000 19.570) 28.942 2.733 ( -4.733 0.000 7.319) 8.716 2.870 ( 5.474 0.000 -13.385) 14.461 3.000 ( 3.574 0.000 5.427) 6.498 3.084 ( 13.809 0.000 9.332) 16.667 3.273 ( 0.173 0.000 -0.001) 0.173 3.536 ( 0.486 0.000 4.683) 4.708 3.762 ( -8.983 0.000 -9.364) 12.976 3.932 ( -6.301 0.000 -16.527) 17.688 3.949 ( -11.732 0.000 -9.513) 15.104 4.206 ( -11.456 0.000 -0.492) 11.467 4.918 ( 0.967 0.000 -1.239) 1.572 5.016 ( -1.381 0.000 -2.144) 2.550 5.118 ( -4.208 0.000 0.265) 4.216 5.435 ( 2.376 0.000 0.854) 2.525 6.085 ( 9.875 0.000 9.362) 13.607 6.369 ( 16.304 0.000 12.509) 20.550 6.616 ( 5.620 0.000 -4.436) 7.160 6.838 ( 17.310 0.000 13.131) 21.727 6.938 ( -0.916 0.000 2.878) 3.020 7.061 ( 0.086 0.000 -5.191) 5.191 7.276 ( -21.434 0.000 -15.938) 26.710 7.318 ( -2.497 0.000 -0.563) 2.560 7.968 ( 1.831 0.000 7.717) 7.931 7.984 ( -5.508 0.000 -11.304) 12.574 8.045 ( -0.340 0.000 1.831) 1.862 8.444 ( 3.716 0.000 6.860) 7.801 8.610 ( 3.794 0.000 0.160) 3.798 8.692 ( 2.570 0.000 -0.853) 2.708 8.920 ( 10.512 0.000 -2.528) 10.812 9.180 ( 9.167 0.000 0.434) 9.177 9.383 ( -0.280 0.000 -5.940) 5.946 9.772 ( -6.438 0.000 -6.611) 9.228 10.148 ( -2.987 0.000 6.121) 6.811 10.366 ( 1.414 0.000 7.749) 7.877 10.423 ( 9.541 0.000 5.507) 11.017 10.520 ( 15.159 0.000 2.486) 15.361 10.780 ( 6.609 0.000 -9.418) 11.505 10.831 ( 0.284 0.000 11.468) 11.471 11.673 ( 4.287 0.000 -2.240) 4.837 11.943 ( 7.235 0.000 5.555) 9.122 12.309 ( -5.189 0.000 -12.468) 13.505 12.553 ( 5.563 0.000 -24.454) 25.079 12.756 ( -10.026 0.000 -10.765) 14.711 13.397 ( 37.505 0.000 31.617) 49.054 13.553 ( 17.480 0.000 23.418) 29.222 14.440 ( -29.485 0.000 -31.132) 42.878 14.623 ( 12.832 0.000 21.788) 25.286 15.090 ( -12.118 0.000 15.999) 20.070 15.308 ( 2.874 0.000 10.369) 10.760 15.573 ( -4.093 0.000 -1.728) 4.443 16.229 ( 4.846 0.000 -1.377) 5.038 16.304 ( 1.123 0.000 -3.631) 3.801 16.662 ( -1.625 0.000 -2.316) 2.829 16.914 ( 6.154 0.000 -10.604) 12.260 18.512 ( -10.004 0.000 0.401) 10.012 18.994 ( 6.568 0.000 13.197) 14.741 19.224 ( -7.393 0.000 -5.597) 9.272 19.985 ( -5.734 0.000 -3.994) 6.988 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 14.848 0.000 5.630) 15.879 2.394 ( 20.600 0.000 12.737) 24.220 2.629 ( -6.152 0.000 0.180) 6.155 2.966 ( 1.966 0.000 -11.412) 11.580 3.051 ( 0.593 0.000 5.664) 5.695 3.056 ( -5.051 0.000 -4.912) 7.046 3.276 ( -3.556 0.000 -1.572) 3.888 3.591 ( -7.285 0.000 -5.583) 9.178 3.671 ( 0.318 0.000 9.862) 9.867 3.700 ( -11.597 0.000 -6.513) 13.301 3.845 ( 3.270 0.000 -8.709) 9.303 4.040 ( -4.582 0.000 3.196) 5.587 4.928 ( -0.585 0.000 -2.524) 2.591 5.029 ( -4.561 0.000 -0.023) 4.561 5.112 ( 12.364 0.000 -7.568) 14.497 5.564 ( 11.172 0.000 -5.542) 12.471 6.299 ( 9.865 0.000 7.181) 12.202 6.633 ( -14.808 0.000 -10.141) 17.947 6.642 ( 1.811 0.000 12.508) 12.638 6.792 ( 3.543 0.000 0.342) 3.559 6.876 ( -9.564 0.000 -19.459) 21.683 7.119 ( 8.946 0.000 9.762) 13.241 7.131 ( 2.629 0.000 -4.088) 4.860 7.339 ( 1.728 0.000 7.022) 7.231 7.877 ( -3.496 0.000 -6.508) 7.387 8.021 ( 4.191 0.000 8.750) 9.702 8.044 ( -0.585 0.000 2.971) 3.028 8.431 ( -4.366 0.000 5.346) 6.902 8.759 ( 10.170 0.000 6.198) 11.910 8.760 ( 4.613 0.000 2.336) 5.171 9.069 ( 2.527 0.000 4.877) 5.493 9.330 ( -4.964 0.000 -0.823) 5.032 9.330 ( 6.634 0.000 -3.232) 7.379 9.669 ( -3.673 0.000 -6.708) 7.648 10.110 ( -0.336 0.000 7.469) 7.477 10.393 ( -7.501 0.000 10.332) 12.768 10.402 ( 2.439 0.000 10.644) 10.920 10.699 ( -3.184 0.000 13.578) 13.946 10.972 ( 19.385 0.000 0.866) 19.404 11.089 ( 19.639 0.000 -13.267) 23.701 11.848 ( 8.495 0.000 -9.556) 12.786 12.045 ( -3.752 0.000 2.494) 4.505 12.227 ( 3.031 0.000 -10.088) 10.534 12.575 ( -4.523 0.000 -13.346) 14.092 12.606 ( -0.444 0.000 -20.917) 20.921 13.830 ( -28.589 0.000 -27.674) 39.790 13.918 ( 17.422 0.000 20.335) 26.778 14.204 ( 39.489 0.000 26.441) 47.524 14.733 ( -8.498 0.000 16.142) 18.242 15.119 ( 19.974 0.000 15.762) 25.444 15.375 ( 3.936 0.000 9.847) 10.604 15.525 ( -0.233 0.000 2.122) 2.135 16.118 ( -14.940 0.000 2.465) 15.142 16.378 ( 5.206 0.000 3.694) 6.384 16.624 ( -2.307 0.000 -0.582) 2.379 16.832 ( -14.187 0.000 4.806) 14.979 18.442 ( 3.188 0.000 -10.676) 11.142 19.046 ( -10.140 0.000 -8.671) 13.342 19.170 ( 10.656 0.000 3.675) 11.272 19.841 ( -8.593 0.000 -4.764) 9.826 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 18.488 0.000 -2.332) 18.635 2.423 ( -15.293 0.000 -5.117) 16.126 2.759 ( 15.176 0.000 8.138) 17.221 2.934 ( -1.087 0.000 -4.208) 4.346 2.969 ( -3.694 0.000 -5.624) 6.729 2.989 ( -7.303 0.000 6.040) 9.477 3.334 ( 8.053 0.000 -4.605) 9.277 3.496 ( -1.764 0.000 -4.156) 4.515 3.523 ( -9.740 0.000 -4.220) 10.615 3.527 ( -5.053 0.000 -4.800) 6.970 3.937 ( 2.838 0.000 4.899) 5.661 3.985 ( -2.128 0.000 6.201) 6.556 4.913 ( -0.007 0.000 -0.726) 0.726 4.946 ( -3.214 0.000 -0.151) 3.218 5.516 ( 25.853 0.000 -11.777) 28.409 5.875 ( 18.949 0.000 -11.666) 22.252 6.065 ( -26.571 0.000 -12.815) 29.500 6.297 ( -22.203 0.000 -12.693) 25.575 6.661 ( 13.045 0.000 6.284) 14.479 6.848 ( -2.760 0.000 3.937) 4.809 7.028 ( 10.610 0.000 5.778) 12.081 7.174 ( -3.046 0.000 7.871) 8.439 7.176 ( 3.558 0.000 -3.782) 5.193 7.289 ( -6.116 0.000 2.854) 6.749 7.896 ( 4.734 0.000 -0.120) 4.735 7.998 ( -4.163 0.000 2.347) 4.779 8.145 ( 7.700 0.000 7.800) 10.960 8.305 ( -7.619 0.000 6.228) 9.840 8.879 ( 6.942 0.000 5.491) 8.851 8.980 ( 11.178 0.000 6.739) 13.053 9.018 ( -6.032 0.000 7.610) 9.711 9.187 ( -9.012 0.000 3.876) 9.810 9.473 ( 7.116 0.000 -6.377) 9.555 9.595 ( -4.658 0.000 -5.646) 7.320 10.139 ( 3.262 0.000 8.724) 9.313 10.240 ( -6.691 0.000 9.365) 11.510 10.472 ( 4.622 0.000 12.635) 13.454 10.585 ( -6.310 0.000 14.268) 15.601 11.411 ( 21.881 0.000 -2.549) 22.029 11.479 ( 18.467 0.000 -8.793) 20.454 11.793 ( -14.005 0.000 -5.002) 14.871 11.820 ( -15.049 0.000 -5.289) 15.951 12.387 ( 8.929 0.000 -7.755) 11.827 12.540 ( -5.816 0.000 -13.816) 14.991 12.743 ( 20.246 0.000 -22.086) 29.961 13.249 ( -27.998 0.000 -26.259) 38.386 14.236 ( 14.307 0.000 16.370) 21.740 14.504 ( -12.541 0.000 14.711) 19.331 14.998 ( 37.595 0.000 21.534) 43.326 15.392 ( 4.074 0.000 2.814) 4.951 15.437 ( -0.544 0.000 2.909) 2.959 15.673 ( -28.602 0.000 13.062) 31.444 15.796 ( 28.948 0.000 19.392) 34.844 16.394 ( -27.596 0.000 14.570) 31.206 16.479 ( 4.714 0.000 2.638) 5.402 16.564 ( -3.643 0.000 1.138) 3.817 18.594 ( 10.521 0.000 -14.130) 17.617 18.824 ( -11.648 0.000 -12.029) 16.744 19.405 ( 12.146 0.000 -2.463) 12.393 19.642 ( -11.035 0.000 -4.729) 12.006 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 1.861 28.243) 28.305 1.422 ( 0.000 16.227 22.851) 28.026 2.620 ( 0.000 -9.718 -14.009) 17.050 2.647 ( 0.000 18.159 22.256) 28.724 2.864 ( 0.000 0.302 15.315) 15.318 3.022 ( 0.000 7.607 0.110) 7.607 3.467 ( 0.000 -3.221 -3.841) 5.013 3.537 ( 0.000 3.857 -0.801) 3.939 3.850 ( 0.000 -11.040 -17.929) 21.056 4.015 ( 0.000 1.314 -20.582) 20.623 4.260 ( 0.000 0.313 -7.136) 7.143 4.422 ( 0.000 -8.426 -5.755) 10.204 4.974 ( 0.000 -1.652 3.645) 4.002 5.342 ( 0.000 -2.278 4.221) 4.796 5.405 ( 0.000 12.369 2.940) 12.714 5.486 ( 0.000 9.142 4.379) 10.137 5.553 ( 0.000 -2.519 13.437) 13.671 6.031 ( 0.000 4.415 9.501) 10.476 6.324 ( 0.000 -1.481 18.997) 19.055 6.523 ( 0.000 -0.404 -3.652) 3.674 6.811 ( 0.000 6.578 2.964) 7.215 7.062 ( 0.000 -8.104 5.669) 9.890 7.366 ( 0.000 -6.279 -6.270) 8.874 7.919 ( 0.000 1.571 3.987) 4.285 7.936 ( 0.000 4.879 -2.013) 5.278 8.076 ( 0.000 -1.434 -11.467) 11.557 8.106 ( 0.000 0.177 -15.415) 15.416 8.372 ( 0.000 5.515 -11.218) 12.501 8.373 ( 0.000 -2.631 -3.012) 4.000 8.575 ( 0.000 -11.612 -2.375) 11.852 8.691 ( 0.000 8.129 7.188) 10.851 8.841 ( 0.000 -0.138 -7.827) 7.828 9.173 ( 0.000 -12.165 -9.750) 15.590 9.653 ( 0.000 -12.132 10.413) 15.988 10.020 ( 0.000 4.685 -2.397) 5.263 10.182 ( 0.000 -0.130 9.595) 9.595 10.387 ( 0.000 3.235 2.216) 3.921 10.584 ( 0.000 -5.584 -2.912) 6.298 10.639 ( 0.000 17.065 -0.226) 17.066 10.787 ( 0.000 1.607 8.386) 8.539 11.789 ( 0.000 -3.070 -1.800) 3.559 12.125 ( 0.000 -9.582 1.846) 9.759 12.249 ( 0.000 24.795 12.713) 27.864 12.397 ( 0.000 5.254 -5.978) 7.959 12.574 ( 0.000 10.518 8.872) 13.760 12.949 ( 0.000 -2.788 -9.360) 9.766 13.221 ( 0.000 2.883 16.078) 16.334 14.371 ( 0.000 -0.406 22.977) 22.981 15.144 ( 0.000 -9.277 11.256) 14.587 15.330 ( 0.000 -3.815 -16.220) 16.663 15.561 ( 0.000 3.740 -7.935) 8.772 15.794 ( 0.000 -1.052 -7.977) 8.046 15.956 ( 0.000 -19.033 -5.137) 19.714 15.970 ( 0.000 -12.926 2.848) 13.236 16.074 ( 0.000 -1.334 -13.945) 14.009 16.648 ( 0.000 -5.595 -13.447) 14.565 18.893 ( 0.000 1.161 23.344) 23.373 18.987 ( 0.000 2.460 6.239) 6.706 19.520 ( 0.000 11.336 -2.407) 11.589 20.101 ( 0.000 -0.135 -2.976) 2.979 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.547 13.878 20.910) 25.936 1.556 ( 13.367 2.117 24.978) 28.408 2.642 ( 1.605 -9.988 -11.949) 15.656 2.773 ( 4.820 -0.971 -1.449) 5.126 2.865 ( 7.063 13.700 29.749) 33.505 3.034 ( 1.031 5.192 1.622) 5.537 3.418 ( -4.895 0.009 -3.524) 6.032 3.514 ( -1.532 1.813 -1.217) 2.668 3.818 ( -2.879 -9.161 -16.939) 19.472 3.973 ( -4.631 1.261 -17.060) 17.723 4.188 ( -6.992 -2.430 -7.036) 10.213 4.346 ( -7.138 -5.421 -5.870) 10.714 4.934 ( -2.100 0.014 3.093) 3.739 5.169 ( -10.155 2.333 6.183) 12.116 5.340 ( -3.565 6.866 5.127) 9.281 5.488 ( 1.442 10.020 -0.244) 10.126 5.811 ( 14.411 -0.465 11.002) 18.137 6.131 ( 9.756 2.934 9.835) 14.160 6.474 ( 13.544 -2.284 16.540) 21.500 6.554 ( 3.479 0.996 -2.842) 4.601 6.860 ( 4.269 3.368 3.437) 6.433 7.029 ( -2.261 -7.052 2.367) 7.775 7.356 ( -1.340 -3.897 -4.836) 6.353 7.731 ( -16.380 5.032 -8.925) 19.320 7.927 ( -1.129 -0.135 1.120) 1.596 8.001 ( -3.011 -3.907 -0.320) 4.943 8.106 ( -1.534 1.195 -14.252) 14.384 8.447 ( 6.933 1.379 -2.225) 7.411 8.514 ( -0.700 -1.054 1.231) 1.766 8.553 ( 8.754 -2.676 -5.132) 10.494 8.774 ( 6.060 3.982 0.566) 7.273 8.972 ( 10.867 0.316 -4.761) 11.869 9.182 ( 0.859 -12.353 -8.050) 14.769 9.829 ( 14.895 -13.130 4.478) 20.355 9.989 ( -2.806 4.911 -2.222) 6.078 10.216 ( 4.255 -0.095 8.113) 9.161 10.387 ( -0.360 2.820 2.738) 3.947 10.471 ( -3.150 2.891 0.251) 4.283 10.771 ( 4.977 4.731 3.145) 7.553 10.832 ( 4.043 5.799 1.243) 7.178 11.757 ( -1.649 -0.166 -1.089) 1.983 11.960 ( -6.700 6.099 9.881) 13.406 12.355 ( 5.535 0.446 -12.893) 14.037 12.444 ( 0.610 7.987 -12.516) 14.860 12.852 ( 24.330 9.575 29.101) 39.121 12.920 ( -2.285 0.440 -12.682) 12.894 13.298 ( 8.573 1.932 20.552) 22.352 14.415 ( 4.215 -1.144 21.855) 22.287 15.053 ( -21.452 2.375 -24.391) 32.569 15.169 ( 1.025 -8.010 10.447) 13.204 15.391 ( -11.857 3.105 4.921) 13.207 15.682 ( -10.227 -3.795 1.724) 11.044 15.900 ( 3.029 -21.767 4.153) 22.365 16.137 ( 12.358 0.997 -17.899) 21.774 16.283 ( 6.373 -19.778 -6.246) 21.698 16.744 ( 8.710 -2.407 -15.124) 17.618 18.865 ( -9.555 5.525 7.011) 13.076 18.917 ( 1.761 1.336 19.355) 19.480 19.483 ( -3.634 11.521 -3.066) 12.464 20.072 ( -2.881 -0.171 -3.281) 4.369 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 8.567 13.527 14.401) 21.535 1.903 ( 19.571 -2.913 19.441) 27.740 2.641 ( -1.690 -8.942 -3.302) 9.681 2.824 ( 4.675 -3.305 -5.603) 8.010 2.948 ( -2.712 -2.333 -1.305) 3.808 3.206 ( 9.262 -0.646 9.285) 13.130 3.296 ( -4.808 4.862 -0.345) 6.847 3.473 ( -3.022 -1.822 1.205) 3.729 3.767 ( -0.613 -0.925 -10.572) 10.630 3.830 ( -8.914 0.204 -11.996) 14.947 4.003 ( -10.233 -4.893 -5.013) 12.401 4.154 ( -11.338 -1.168 -4.863) 12.392 4.945 ( 2.889 2.750 -1.302) 4.196 5.033 ( -2.038 1.634 0.132) 2.615 5.304 ( 0.091 11.136 5.348) 12.354 5.497 ( 0.517 9.316 -2.306) 9.611 6.086 ( 13.196 2.037 10.785) 17.164 6.394 ( 15.081 1.187 10.398) 18.356 6.657 ( 6.138 3.383 -1.917) 7.266 6.795 ( 15.325 -5.242 12.467) 20.439 6.912 ( -3.612 -2.931 0.373) 4.667 7.002 ( 2.786 -4.802 -1.072) 5.654 7.316 ( -10.423 3.492 -7.395) 13.248 7.361 ( -10.264 4.781 -8.042) 13.888 7.880 ( -3.762 -3.667 -3.584) 6.360 7.971 ( -0.349 -3.934 1.712) 4.305 8.061 ( -1.809 1.110 -2.334) 3.155 8.478 ( -1.858 -5.145 3.746) 6.630 8.582 ( 5.931 -1.314 3.546) 7.035 8.713 ( 5.159 7.282 0.735) 8.955 8.933 ( 9.456 -0.395 -0.127) 9.465 9.175 ( 2.769 -9.088 -2.806) 9.906 9.220 ( 7.737 0.454 -2.692) 8.204 9.912 ( -3.449 7.904 -5.578) 10.271 10.056 ( 3.678 -7.594 5.849) 10.267 10.355 ( 1.863 -2.164 6.885) 7.454 10.470 ( 1.816 2.655 6.158) 6.948 10.489 ( 18.879 -1.952 -1.622) 19.049 10.829 ( 0.840 2.170 9.633) 9.910 10.906 ( 4.342 9.846 -9.709) 14.494 11.772 ( 3.149 5.995 -6.810) 9.604 11.934 ( 3.873 -0.500 7.868) 8.784 12.372 ( -4.218 1.056 -14.569) 15.204 12.497 ( 4.579 3.377 -16.123) 17.097 12.790 ( -7.911 1.726 -10.257) 13.068 13.481 ( 33.405 6.483 27.001) 43.440 13.578 ( 19.370 2.644 23.927) 30.898 14.425 ( -14.724 0.090 -8.013) 16.764 14.705 ( 0.689 6.207 1.797) 6.499 15.109 ( -11.907 1.073 11.147) 16.346 15.235 ( 2.402 -5.717 12.708) 14.140 15.545 ( -4.515 -2.602 -1.058) 5.318 15.976 ( 4.379 -25.803 4.934) 26.633 16.294 ( 0.669 2.412 -9.742) 10.058 16.320 ( -0.137 -24.097 -3.098) 24.296 16.888 ( 2.593 -3.779 -8.866) 9.980 18.675 ( -6.849 11.527 0.617) 13.423 18.997 ( 6.173 0.510 11.898) 13.414 19.377 ( -6.831 12.018 -4.817) 14.639 19.985 ( -5.773 -0.244 -4.063) 7.064 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 11.805 9.271 6.591) 16.393 2.278 ( 15.515 -6.914 13.422) 21.649 2.621 ( 0.601 -4.294 -3.359) 5.484 2.855 ( -4.353 -6.634 1.872) 8.153 2.965 ( 5.308 -1.123 -12.678) 13.790 3.065 ( -9.145 -9.151 -3.763) 13.473 3.348 ( -0.771 7.455 2.179) 7.805 3.377 ( -5.284 -13.306 2.945) 14.617 3.643 ( -8.430 0.743 -6.696) 10.791 3.790 ( -6.335 -0.374 1.806) 6.598 3.817 ( -2.614 -4.967 -9.433) 10.976 3.942 ( -8.072 -3.377 -0.805) 8.787 5.026 ( 5.444 8.478 -0.531) 10.090 5.137 ( 11.595 3.172 -7.343) 14.086 5.299 ( -1.126 19.917 0.837) 19.967 5.595 ( 10.779 3.658 -5.257) 12.538 6.347 ( 10.247 4.496 6.969) 13.182 6.544 ( -11.602 -5.126 -0.933) 12.719 6.724 ( 10.162 2.286 3.253) 10.912 6.850 ( -15.152 6.700 -4.685) 17.217 6.899 ( -0.733 1.027 -9.346) 9.431 7.039 ( 6.917 -6.662 6.578) 11.641 7.140 ( 6.061 0.267 0.408) 6.080 7.372 ( 1.012 2.774 6.672) 7.296 7.795 ( -3.433 -5.000 -6.060) 8.574 7.965 ( -1.315 -5.143 1.093) 5.419 8.065 ( 2.808 1.533 6.389) 7.145 8.410 ( -5.102 -3.843 4.562) 7.849 8.696 ( 6.143 -3.507 5.760) 9.122 8.822 ( 6.410 4.117 6.057) 9.733 9.069 ( 1.971 -0.447 8.239) 8.483 9.146 ( -2.719 -10.746 0.945) 11.125 9.413 ( 9.506 7.548 -5.770) 13.440 9.847 ( -3.299 10.241 -6.219) 12.427 10.080 ( 0.658 -2.399 6.459) 6.922 10.315 ( -5.045 -4.939 9.198) 11.596 10.514 ( 2.885 7.179 9.074) 11.925 10.789 ( -2.990 6.940 11.489) 13.752 10.964 ( 23.099 -1.869 -2.210) 23.279 11.089 ( 14.491 2.625 -12.938) 19.603 11.814 ( -1.773 0.313 -7.980) 8.180 12.084 ( 9.797 -3.387 0.194) 10.368 12.223 ( -10.777 -1.993 -13.052) 17.043 12.585 ( 1.538 2.685 -13.191) 13.550 12.659 ( 0.083 8.292 -12.701) 15.169 13.816 ( -8.821 1.038 -7.168) 11.414 14.059 ( 2.677 10.568 3.972) 11.603 14.262 ( 36.482 5.046 24.637) 44.310 14.800 ( -8.116 5.762 11.740) 15.392 15.055 ( 16.890 -6.079 14.103) 22.828 15.310 ( 4.559 -5.491 11.060) 13.163 15.482 ( -1.360 -4.001 1.972) 4.663 16.057 ( 0.704 -21.966 0.713) 21.989 16.174 ( -8.734 -3.454 4.221) 10.297 16.282 ( -4.470 -23.126 0.528) 23.560 16.787 ( -12.595 -4.345 4.013) 13.914 18.640 ( 3.440 14.425 -8.382) 17.034 19.151 ( 5.048 2.889 -1.132) 5.925 19.227 ( -4.104 9.874 -3.740) 11.328 19.840 ( -8.610 -0.300 -4.898) 9.910 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 14.975 3.402 0.456) 15.363 2.374 ( -8.197 -4.392 0.595) 9.318 2.681 ( 4.044 -3.532 0.724) 5.418 2.749 ( -3.702 -10.444 0.766) 11.107 2.964 ( 4.014 -3.900 -3.227) 6.461 3.083 ( -1.716 -0.411 -6.060) 6.311 3.257 ( 0.072 -7.420 1.754) 7.624 3.333 ( -3.129 -3.953 2.358) 5.566 3.530 ( -1.636 0.769 -5.270) 5.571 3.600 ( -7.963 -0.114 -4.894) 9.348 3.798 ( -0.406 -9.430 -1.026) 9.495 3.833 ( -3.656 -8.703 1.079) 9.501 5.124 ( 4.240 15.283 -0.556) 15.870 5.205 ( -3.694 18.942 0.626) 19.309 5.552 ( 23.780 3.115 -12.373) 26.987 5.914 ( 19.645 4.259 -10.206) 22.544 6.058 ( -24.327 -0.705 -13.283) 27.726 6.367 ( -23.888 6.261 -13.113) 27.960 6.687 ( 13.147 2.194 7.943) 15.516 6.868 ( -2.273 1.801 4.789) 5.599 7.015 ( 7.857 -1.744 3.907) 8.946 7.139 ( -1.469 -2.066 6.747) 7.207 7.214 ( 5.291 2.404 2.742) 6.426 7.334 ( -4.823 2.741 6.844) 8.810 7.799 ( 3.955 -6.583 -3.535) 8.454 7.901 ( -4.848 -6.553 -0.509) 8.167 8.160 ( 5.910 -0.291 7.253) 9.361 8.287 ( -6.567 -2.455 6.071) 9.274 8.839 ( 7.724 -2.464 8.095) 11.457 8.952 ( 3.787 -2.407 10.071) 11.025 9.007 ( -3.536 -0.905 6.074) 7.087 9.089 ( -4.309 -6.412 6.541) 10.123 9.600 ( 8.867 10.245 -6.861) 15.187 9.756 ( -6.203 11.057 -6.031) 14.040 10.114 ( 2.942 -2.090 7.679) 8.485 10.199 ( -5.417 -3.242 8.199) 10.348 10.591 ( 4.663 9.537 10.621) 15.017 10.695 ( -5.399 9.345 11.666) 15.893 11.367 ( 16.885 -0.493 -4.471) 17.474 11.482 ( 22.259 -2.484 -9.639) 24.383 11.666 ( -11.921 -2.717 -5.010) 13.213 11.907 ( -18.828 -0.920 -9.509) 21.113 12.305 ( 10.000 -7.135 -6.432) 13.866 12.481 ( -7.424 -5.347 -11.105) 14.389 12.914 ( 19.623 16.204 -17.187) 30.709 13.370 ( -24.600 11.635 -21.331) 34.577 14.314 ( 13.848 7.003 14.116) 20.978 14.574 ( -12.113 6.157 12.513) 18.472 14.998 ( 32.689 -1.084 18.485) 37.569 15.338 ( 0.365 -7.604 2.989) 8.178 15.364 ( 4.847 -3.146 5.865) 8.234 15.651 ( 7.053 -9.630 10.713) 16.039 15.770 ( -7.943 2.529 15.312) 17.434 16.122 ( -13.434 -25.069 5.169) 28.908 16.224 ( 7.076 -18.960 5.713) 21.028 16.452 ( -16.869 -6.058 9.805) 20.430 18.783 ( 9.693 14.337 -11.858) 20.978 18.995 ( -10.742 13.382 -10.698) 20.222 19.407 ( 11.912 -0.048 -2.788) 12.233 19.641 ( -10.993 -0.280 -4.953) 12.060 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 0.000 15.285 12.424) 19.697 1.838 ( 0.000 20.376 14.662) 25.103 2.356 ( 0.000 -14.393 -9.012) 16.982 2.624 ( 0.000 -11.688 5.697) 13.003 3.094 ( 0.000 8.037 5.420) 9.694 3.133 ( 0.000 1.466 -9.072) 9.190 3.506 ( 0.000 8.201 -1.508) 8.339 3.685 ( 0.000 7.862 -3.344) 8.544 3.754 ( 0.000 5.078 -14.336) 15.208 4.024 ( 0.000 -0.788 -20.140) 20.155 4.139 ( 0.000 -10.013 -2.198) 10.251 4.205 ( 0.000 -11.131 -6.283) 12.781 5.013 ( 0.000 8.195 10.670) 13.454 5.327 ( 0.000 0.695 9.926) 9.951 5.427 ( 0.000 -4.511 15.432) 16.077 5.644 ( 0.000 -1.499 17.300) 17.365 5.772 ( 0.000 14.850 2.734) 15.099 6.065 ( 0.000 0.223 2.753) 2.762 6.403 ( 0.000 9.622 6.739) 11.747 6.508 ( 0.000 -0.978 -1.006) 1.403 6.753 ( 0.000 -8.455 5.858) 10.286 7.145 ( 0.000 15.245 4.773) 15.975 7.165 ( 0.000 -12.436 -3.901) 13.033 7.901 ( 0.000 -9.805 -0.141) 9.806 7.964 ( 0.000 2.679 1.147) 2.914 8.081 ( 0.000 1.076 -9.738) 9.797 8.118 ( 0.000 0.817 -14.357) 14.380 8.223 ( 0.000 -12.119 -6.802) 13.898 8.362 ( 0.000 1.371 -7.791) 7.911 8.509 ( 0.000 0.153 -10.878) 10.879 8.781 ( 0.000 2.461 -5.123) 5.683 8.929 ( 0.000 -8.083 -7.005) 10.696 8.948 ( 0.000 8.045 11.560) 14.084 9.387 ( 0.000 -12.276 17.180) 21.115 10.146 ( 0.000 6.543 -2.443) 6.984 10.205 ( 0.000 2.578 5.722) 6.276 10.404 ( 0.000 -2.522 0.298) 2.539 10.437 ( 0.000 -7.447 -3.102) 8.068 10.869 ( 0.000 6.000 8.742) 10.603 10.936 ( 0.000 8.934 -2.054) 9.167 11.733 ( 0.000 -1.440 -3.773) 4.038 11.927 ( 0.000 -8.648 -4.437) 9.720 12.550 ( 0.000 8.419 -8.591) 12.028 12.801 ( 0.000 10.284 14.691) 17.933 12.852 ( 0.000 5.671 -13.848) 14.964 12.905 ( 0.000 16.208 15.789) 22.627 13.301 ( 0.000 10.055 17.174) 19.901 14.424 ( 0.000 6.437 18.583) 19.666 14.803 ( 0.000 -26.537 11.901) 29.084 15.051 ( 0.000 -23.215 1.642) 23.273 15.444 ( 0.000 -2.856 6.599) 7.190 15.626 ( 0.000 -9.681 14.476) 17.415 15.896 ( 0.000 2.186 -16.271) 16.417 15.901 ( 0.000 9.417 -26.229) 27.868 16.038 ( 0.000 -1.267 -16.040) 16.090 16.462 ( 0.000 -11.187 -21.468) 24.208 18.933 ( 0.000 2.348 20.832) 20.964 19.013 ( 0.000 -0.250 12.081) 12.083 19.782 ( 0.000 11.561 -2.460) 11.820 20.079 ( 0.000 -2.324 -2.906) 3.721 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 9.194 12.446 12.408) 19.834 1.888 ( 4.223 19.756 13.828) 24.482 2.377 ( 1.698 -14.476 -7.655) 16.463 2.622 ( 0.372 -11.094 3.331) 11.589 3.041 ( -5.449 1.893 -4.287) 7.187 3.143 ( 0.272 0.810 -1.267) 1.529 3.456 ( -4.656 5.903 -1.463) 7.659 3.645 ( -3.732 6.497 -5.254) 9.151 3.780 ( 2.522 7.115 -11.388) 13.663 3.957 ( -8.393 -6.177 -9.867) 14.351 4.038 ( -4.945 -5.079 -10.501) 12.670 4.226 ( -1.147 -6.702 -5.850) 8.970 5.001 ( -0.791 7.046 9.276) 11.676 5.197 ( -9.077 -0.232 10.368) 13.782 5.402 ( 0.608 3.272 10.416) 10.934 5.774 ( 8.938 8.065 9.120) 15.103 5.921 ( 11.409 7.996 7.964) 16.048 6.117 ( 6.121 -4.513 6.490) 9.997 6.479 ( 6.225 5.450 5.856) 10.136 6.575 ( 6.912 1.063 0.929) 7.054 6.765 ( 2.396 -8.393 5.298) 10.211 6.976 ( -8.726 -3.730 -0.920) 9.535 7.338 ( 8.610 6.599 1.138) 10.908 7.838 ( -10.527 2.409 -6.668) 12.692 7.902 ( -3.569 -1.413 -2.637) 4.657 7.951 ( -5.141 0.209 -2.660) 5.792 8.095 ( -4.357 -2.985 -14.455) 15.390 8.210 ( 0.862 -14.912 -2.701) 15.179 8.449 ( 4.966 -0.183 -2.925) 5.767 8.643 ( 9.933 -3.085 -3.940) 11.122 8.907 ( 5.319 9.257 1.913) 10.846 8.990 ( 4.554 1.397 3.242) 5.762 9.009 ( 11.258 -0.873 -6.823) 13.193 9.523 ( 13.610 -14.680 11.436) 23.054 10.107 ( -3.242 5.791 -2.578) 7.120 10.240 ( 4.021 2.424 4.550) 6.538 10.367 ( -4.642 -4.650 -0.371) 6.581 10.437 ( 2.063 -4.064 0.180) 4.562 10.897 ( 3.051 8.024 8.497) 12.079 11.032 ( 7.013 7.885 -4.864) 11.620 11.727 ( 0.062 -1.401 -4.593) 4.802 11.921 ( -0.457 -7.101 -5.918) 9.255 12.497 ( -4.359 8.812 -7.452) 12.336 12.716 ( -2.891 8.819 -3.148) 9.801 12.915 ( 1.964 5.062 -4.092) 6.799 13.138 ( 18.553 10.051 18.814) 28.270 13.387 ( 10.044 13.246 21.805) 27.419 14.443 ( 1.765 4.208 17.355) 17.944 14.847 ( 4.045 -22.680 11.729) 25.852 15.018 ( -3.972 -14.657 -3.888) 15.676 15.369 ( -6.224 -6.727 9.807) 13.423 15.519 ( -15.299 3.325 -10.832) 19.038 15.583 ( -5.841 -5.908 6.101) 10.308 15.906 ( -8.039 -13.651 -13.117) 20.568 16.248 ( 13.740 7.178 -18.883) 24.431 16.620 ( 10.558 -8.118 -17.756) 22.196 18.940 ( 0.170 2.095 16.643) 16.776 18.967 ( -2.938 1.973 11.271) 11.813 19.749 ( -3.295 11.694 -3.005) 12.516 20.049 ( -2.965 -2.372 -3.269) 5.010 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 11.167 5.906 14.406) 19.160 1.993 ( 7.612 18.008 8.374) 21.269 2.401 ( 0.759 -12.741 -1.842) 12.896 2.682 ( 6.054 -10.394 -2.801) 12.351 2.898 ( -7.693 -1.317 -6.331) 10.050 3.070 ( -8.539 -8.466 -3.625) 12.559 3.336 ( -6.810 1.796 -0.738) 7.082 3.562 ( -4.282 4.418 -2.113) 6.506 3.744 ( -9.787 -6.985 -8.733) 14.861 3.820 ( -2.117 1.113 -8.002) 8.352 3.924 ( -6.162 2.657 -7.981) 10.427 4.129 ( -8.431 -2.375 -4.565) 9.878 5.031 ( 4.966 4.025 0.133) 6.394 5.078 ( -0.467 2.020 3.378) 3.964 5.502 ( 9.096 12.789 9.560) 18.376 5.869 ( -0.153 19.455 0.475) 19.461 6.172 ( 13.394 3.711 10.326) 17.314 6.356 ( 16.629 -9.039 11.699) 22.251 6.580 ( 2.360 -8.393 4.849) 9.976 6.739 ( 1.938 0.839 -0.018) 2.111 6.807 ( -0.185 -4.500 -0.773) 4.570 6.916 ( 10.912 -2.960 5.585) 12.611 7.457 ( -4.637 9.833 -5.406) 12.142 7.517 ( -11.771 9.326 -7.968) 17.001 7.817 ( -7.336 -2.852 -7.063) 10.575 7.905 ( 0.402 -2.434 0.746) 2.577 8.030 ( -0.461 -3.771 -2.583) 4.594 8.244 ( 1.474 -13.741 0.754) 13.840 8.531 ( 3.833 -0.847 3.093) 4.998 8.788 ( 4.442 -10.500 2.088) 11.591 8.962 ( 1.697 10.339 12.921) 16.635 9.081 ( 2.655 0.685 4.191) 5.008 9.329 ( 17.612 8.361 -9.431) 21.657 9.845 ( 13.673 -11.466 2.930) 18.083 10.047 ( -1.996 4.802 -3.357) 6.190 10.273 ( -4.265 -5.562 2.817) 7.553 10.411 ( 14.041 -1.331 0.088) 14.104 10.506 ( 5.554 -2.368 1.896) 6.328 10.968 ( 3.494 11.198 8.310) 14.376 11.161 ( 5.567 10.979 -10.380) 16.102 11.764 ( 3.791 -5.048 -5.720) 8.519 11.906 ( -1.433 -5.183 -8.090) 9.715 12.379 ( -7.722 5.162 -9.092) 12.997 12.658 ( -4.085 -0.329 -6.673) 7.831 12.962 ( 4.179 19.907 -4.247) 20.780 13.534 ( 20.083 -2.267 16.648) 26.184 13.762 ( 26.155 14.688 26.294) 39.889 14.470 ( -0.659 3.052 9.332) 9.840 14.830 ( -7.538 0.910 -6.221) 9.816 14.994 ( 5.438 -8.233 9.066) 13.400 15.235 ( -11.238 4.668 6.829) 13.955 15.311 ( 1.258 -26.729 5.556) 27.329 15.477 ( -5.058 -5.914 3.413) 8.498 15.756 ( -7.217 -24.235 -8.679) 26.735 16.416 ( 2.028 7.019 -8.636) 11.312 16.760 ( 1.721 -7.510 -8.464) 11.445 18.890 ( -1.434 7.406 3.462) 8.300 19.010 ( 5.131 0.277 9.871) 11.128 19.651 ( -6.326 12.019 -4.476) 14.301 19.960 ( -5.881 -2.488 -4.202) 7.644 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 6.032 9.466 10.477) 15.355 2.211 ( 9.223 3.081 6.542) 11.720 2.443 ( 4.031 -9.737 1.850) 10.700 2.755 ( -1.852 -5.743 -0.967) 6.112 2.814 ( -9.527 -10.677 -5.106) 15.193 2.891 ( 5.404 -5.375 -8.441) 11.373 3.194 ( -7.281 -1.482 -0.592) 7.454 3.451 ( -7.229 -3.978 1.761) 8.437 3.570 ( -6.498 -2.272 -6.738) 9.633 3.703 ( -7.329 -2.846 -7.234) 10.684 3.793 ( -7.756 1.906 -4.262) 9.052 3.920 ( -11.299 -1.238 -4.402) 12.189 5.196 ( 10.843 4.436 -9.147) 14.863 5.220 ( 13.434 4.455 -3.923) 14.687 5.745 ( 12.783 19.160 6.867) 24.035 5.805 ( -3.537 17.378 -3.488) 18.074 6.405 ( -13.173 -8.013 -2.041) 15.553 6.468 ( 11.210 5.081 6.949) 14.134 6.707 ( 14.956 -9.626 8.792) 19.840 6.734 ( 4.257 -9.810 -2.800) 11.055 6.992 ( 8.783 3.046 5.937) 11.030 7.049 ( -14.664 8.633 1.470) 17.080 7.146 ( 2.094 1.308 -4.231) 4.899 7.437 ( -6.255 1.345 0.421) 6.412 7.722 ( -1.591 0.262 -4.849) 5.110 7.910 ( -0.786 0.115 -0.009) 0.794 8.054 ( 2.218 -2.026 3.567) 4.664 8.236 ( -2.298 -11.211 2.784) 11.778 8.639 ( 7.218 -0.809 8.009) 10.813 8.854 ( 2.592 -6.600 5.876) 9.209 8.980 ( -0.046 1.677 12.549) 12.660 9.078 ( -2.744 -0.538 10.823) 11.179 9.639 ( 12.346 12.349 -8.227) 19.303 9.986 ( 1.691 0.309 -1.123) 2.053 10.036 ( 0.501 0.510 0.734) 1.025 10.194 ( -3.796 -5.881 5.279) 8.767 10.621 ( 8.622 2.292 3.337) 9.525 10.846 ( 23.818 -7.854 -7.044) 26.050 11.019 ( 0.862 15.452 7.032) 16.999 11.283 ( 7.663 13.019 -11.373) 18.909 11.837 ( -5.663 -3.867 -10.621) 12.642 11.870 ( 5.853 -12.880 -3.950) 14.689 12.178 ( -11.799 2.270 -8.490) 14.713 12.524 ( -9.079 -6.332 -6.564) 12.869 13.129 ( 12.295 29.662 -6.138) 32.690 13.878 ( 8.369 3.146 1.789) 9.118 14.298 ( 15.869 8.024 13.009) 22.033 14.432 ( 11.803 12.896 9.936) 20.108 14.817 ( 6.303 -15.662 4.252) 17.410 14.957 ( -9.620 6.525 5.079) 12.686 15.189 ( 6.167 -3.853 15.063) 16.726 15.347 ( -3.102 -9.981 1.891) 10.622 15.484 ( 10.792 -22.602 8.444) 26.432 15.608 ( -6.748 -29.153 -3.798) 30.164 16.313 ( -12.099 7.137 4.164) 14.651 16.656 ( -12.040 -7.412 3.717) 14.619 18.930 ( 5.433 11.062 -4.620) 13.161 19.160 ( 9.552 -0.959 0.985) 9.651 19.498 ( -8.751 12.267 -6.356) 16.354 19.813 ( -8.648 -2.580 -5.265) 10.448 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 6.530 4.344 6.715) 10.325 2.289 ( -1.372 -1.670 4.894) 5.350 2.509 ( 2.137 -10.901 3.131) 11.542 2.600 ( -7.752 -8.540 -1.965) 11.699 2.830 ( 9.162 -1.144 -3.284) 9.800 3.028 ( -8.645 -2.753 0.505) 9.087 3.092 ( 9.736 -5.044 -5.430) 12.236 3.284 ( -8.954 -6.677 1.629) 11.288 3.512 ( 1.063 -0.139 -4.856) 4.973 3.584 ( -4.682 -0.158 -3.728) 5.987 3.652 ( -3.637 -3.612 -4.996) 7.158 3.713 ( -8.218 -3.354 -5.844) 10.627 5.421 ( 10.870 10.385 -7.047) 16.603 5.548 ( 12.165 6.966 -6.192) 15.325 5.666 ( -0.952 10.445 -9.376) 14.069 6.008 ( -18.463 -2.423 -10.256) 21.259 6.122 ( 17.534 13.930 -5.252) 23.001 6.547 ( -21.402 9.792 -12.106) 26.466 6.733 ( 10.675 0.566 7.876) 13.278 6.849 ( 0.827 -7.058 3.903) 8.107 6.989 ( 7.537 2.542 7.818) 11.153 7.096 ( -0.182 -1.878 8.335) 8.546 7.212 ( 3.489 -3.229 9.402) 10.536 7.321 ( -5.482 -5.664 6.694) 10.342 7.740 ( 3.873 4.092 -4.560) 7.248 7.848 ( -5.245 3.071 -2.353) 6.517 8.110 ( 3.136 -4.151 4.865) 7.122 8.175 ( -3.282 -8.184 4.499) 9.899 8.804 ( 8.343 -0.603 11.595) 14.297 8.897 ( 1.057 -2.952 9.869) 10.355 8.962 ( -1.428 -3.424 10.473) 11.111 8.987 ( -5.394 -1.694 10.901) 12.280 9.835 ( 7.664 9.955 -5.209) 13.600 9.956 ( -4.184 6.375 -3.706) 8.478 10.063 ( 2.137 -2.404 4.756) 5.742 10.119 ( -3.398 -3.901 5.024) 7.211 10.809 ( 9.299 10.098 2.150) 13.895 10.966 ( -5.637 15.645 3.186) 16.932 11.317 ( 20.766 -10.023 -9.230) 24.837 11.491 ( 11.986 9.732 -7.812) 17.303 11.665 ( -10.455 -5.900 -7.605) 14.211 11.820 ( -14.684 1.645 -6.667) 16.210 12.100 ( 8.278 -11.294 -5.513) 15.049 12.313 ( -11.290 -10.081 -5.623) 16.146 13.427 ( 16.373 30.347 -10.179) 35.953 13.752 ( -14.790 23.264 -12.562) 30.294 14.518 ( 12.336 11.155 9.505) 19.156 14.743 ( -9.364 7.839 9.329) 15.367 14.879 ( 15.405 -10.442 8.373) 20.407 14.985 ( 6.376 -29.303 0.623) 29.995 15.229 ( -0.632 -10.723 4.326) 11.580 15.328 ( -4.399 -22.102 0.657) 22.546 15.555 ( 11.792 -7.681 11.032) 17.881 15.837 ( 17.390 -8.629 15.612) 24.912 15.969 ( -17.430 3.605 13.853) 22.554 16.306 ( -21.487 -7.691 12.547) 26.044 19.089 ( 9.733 12.531 -8.516) 18.008 19.291 ( -8.525 12.033 -8.599) 17.071 19.392 ( 9.791 -1.358 -3.869) 10.615 19.615 ( -10.843 -2.519 -5.641) 12.480 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 -16.537 -0.785) 16.556 1.959 ( 0.000 16.537 -0.785) 16.556 2.302 ( 0.000 -16.621 9.327) 19.059 2.302 ( 0.000 16.621 9.327) 19.059 3.140 ( 0.000 -0.244 -12.347) 12.350 3.140 ( 0.000 0.244 -12.347) 12.350 3.724 ( 0.000 -7.419 -4.356) 8.603 3.724 ( 0.000 7.419 -4.356) 8.603 3.965 ( 0.000 -9.428 -9.957) 13.712 3.965 ( 0.000 9.428 -9.957) 13.712 3.990 ( 0.000 -1.473 -8.233) 8.364 3.990 ( 0.000 1.473 -8.233) 8.364 5.297 ( 0.000 -11.792 19.114) 22.458 5.297 ( 0.000 11.792 19.114) 22.458 5.403 ( 0.000 -10.092 16.578) 19.408 5.403 ( 0.000 10.092 16.578) 19.408 6.030 ( 0.000 -6.978 -1.067) 7.059 6.030 ( 0.000 6.978 -1.067) 7.059 6.498 ( 0.000 -0.715 5.111) 5.161 6.498 ( 0.000 0.715 5.111) 5.161 6.846 ( 0.000 -15.532 -0.304) 15.535 6.846 ( 0.000 15.532 -0.304) 15.535 7.541 ( 0.000 -19.992 3.307) 20.264 7.541 ( 0.000 19.992 3.307) 20.264 8.034 ( 0.000 -3.862 -3.398) 5.144 8.034 ( 0.000 3.862 -3.398) 5.144 8.130 ( 0.000 -0.166 -13.676) 13.677 8.130 ( 0.000 0.166 -13.676) 13.677 8.433 ( 0.000 -4.990 -9.860) 11.051 8.433 ( 0.000 4.990 -9.860) 11.051 8.838 ( 0.000 -2.414 -6.847) 7.260 8.838 ( 0.000 2.414 -6.847) 7.260 9.141 ( 0.000 -10.207 18.392) 21.034 9.141 ( 0.000 10.207 18.392) 21.034 10.283 ( 0.000 -6.273 -1.592) 6.472 10.283 ( 0.000 6.273 -1.592) 6.472 10.303 ( 0.000 -6.041 0.329) 6.050 10.303 ( 0.000 6.041 0.329) 6.050 10.991 ( 0.000 -3.301 5.348) 6.285 10.991 ( 0.000 3.301 5.348) 6.285 11.770 ( 0.000 -5.165 -6.946) 8.656 11.770 ( 0.000 5.165 -6.946) 8.656 12.731 ( 0.000 -7.760 -10.781) 13.283 12.731 ( 0.000 7.760 -10.781) 13.283 12.997 ( 0.000 -6.872 16.774) 18.127 12.997 ( 0.000 6.872 16.774) 18.127 13.986 ( 0.000 -42.370 12.295) 44.118 13.986 ( 0.000 42.370 12.295) 44.118 14.656 ( 0.000 -14.540 12.270) 19.025 14.656 ( 0.000 14.540 12.270) 19.025 15.476 ( 0.000 -4.389 9.486) 10.452 15.476 ( 0.000 4.389 9.486) 10.452 15.955 ( 0.000 -2.647 -15.261) 15.489 15.955 ( 0.000 2.647 -15.261) 15.489 16.194 ( 0.000 -12.887 -25.873) 28.905 16.194 ( 0.000 12.887 -25.873) 28.905 18.984 ( 0.000 -2.151 17.163) 17.297 18.984 ( 0.000 2.151 17.163) 17.297 19.983 ( 0.000 -6.833 -2.712) 7.352 19.983 ( 0.000 6.833 -2.712) 7.352 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 4.898 -16.096 0.451) 16.831 2.014 ( 4.898 16.096 0.451) 16.831 2.314 ( 1.397 -16.613 7.853) 18.429 2.314 ( 1.397 16.613 7.853) 18.429 3.087 ( -5.425 -3.154 -10.895) 12.573 3.087 ( -5.425 3.154 -10.895) 12.573 3.639 ( -7.932 -9.051 -1.841) 12.175 3.639 ( -7.932 9.051 -1.841) 12.175 3.868 ( -4.438 -1.966 -13.138) 14.006 3.868 ( -4.438 1.966 -13.138) 14.006 4.070 ( 2.210 -6.860 -7.262) 10.231 4.070 ( 2.210 6.860 -7.262) 10.231 5.152 ( -7.492 -4.501 13.013) 15.675 5.152 ( -7.492 4.501 13.013) 15.675 5.607 ( 14.077 -15.386 18.528) 27.896 5.607 ( 14.077 15.386 18.528) 27.896 6.066 ( 3.822 -3.862 0.286) 5.441 6.066 ( 3.822 3.862 0.286) 5.441 6.597 ( 8.971 -2.124 5.676) 10.827 6.597 ( 8.971 2.124 5.676) 10.827 6.766 ( -6.552 -11.832 -1.050) 13.566 6.766 ( -6.552 11.832 -1.050) 13.566 7.626 ( 7.026 -16.303 3.531) 18.100 7.626 ( 7.026 16.303 3.531) 18.100 7.984 ( -5.386 -3.639 -5.482) 8.504 7.984 ( -5.386 3.639 -5.482) 8.504 8.011 ( -8.177 -6.092 -12.201) 15.901 8.011 ( -8.177 6.092 -12.201) 15.901 8.510 ( 4.906 -5.703 -2.842) 8.041 8.510 ( 4.906 5.703 -2.842) 8.041 8.996 ( 10.756 -1.605 -4.598) 11.807 8.996 ( 10.756 1.605 -4.598) 11.807 9.210 ( 9.790 -14.111 12.003) 20.953 9.210 ( 9.790 14.111 12.003) 20.953 10.235 ( -4.074 -5.941 -2.130) 7.512 10.235 ( -4.074 5.941 -2.130) 7.512 10.330 ( 2.831 -4.864 1.739) 5.891 10.330 ( 2.831 4.864 1.739) 5.891 11.063 ( 6.343 -5.078 4.265) 9.177 11.063 ( 6.343 5.078 4.265) 9.177 11.767 ( -0.344 -5.615 -9.730) 11.239 11.767 ( -0.344 5.615 -9.730) 11.239 12.675 ( -4.878 -7.023 -7.732) 11.528 12.675 ( -4.878 7.023 -7.732) 11.528 13.106 ( 9.964 -7.800 13.913) 18.806 13.106 ( 9.964 7.800 13.913) 18.806 14.049 ( 6.176 -38.899 13.607) 41.670 14.049 ( 6.176 38.899 13.607) 41.670 14.688 ( 3.319 -12.589 11.361) 17.279 14.688 ( 3.319 12.589 11.361) 17.279 15.425 ( -5.337 -6.470 9.834) 12.925 15.425 ( -5.337 6.470 9.834) 12.925 15.677 ( -16.913 -8.462 -18.127) 26.197 15.677 ( -16.913 8.462 -18.127) 26.197 16.428 ( 12.603 -9.105 -18.640) 24.273 16.428 ( 12.603 9.105 -18.640) 24.273 18.975 ( -0.459 -0.937 14.473) 14.510 18.975 ( -0.459 0.937 14.473) 14.510 19.952 ( -3.087 -6.910 -3.156) 8.200 19.952 ( -3.087 6.910 -3.156) 8.200 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 4.831 -12.248 4.515) 13.919 2.120 ( 4.831 12.248 4.515) 13.919 2.382 ( 5.677 -16.771 3.754) 18.099 2.382 ( 5.677 16.771 3.754) 18.099 2.926 ( -9.680 -4.158 -8.216) 13.360 2.926 ( -9.680 4.158 -8.216) 13.360 3.452 ( -9.683 -8.478 -1.442) 12.950 3.452 ( -9.683 8.478 -1.442) 12.950 3.766 ( -6.277 -4.555 -11.481) 13.855 3.766 ( -6.277 4.555 -11.481) 13.855 4.041 ( -5.498 -5.674 -5.364) 9.550 4.041 ( -5.498 5.674 -5.364) 9.550 5.088 ( 2.521 -1.259 1.766) 3.326 5.088 ( 2.521 1.259 1.766) 3.326 5.915 ( 15.395 -22.964 15.620) 31.754 5.915 ( 15.395 22.964 15.620) 31.754 6.181 ( 6.693 -7.287 4.397) 10.827 6.181 ( 6.693 7.287 4.397) 10.827 6.599 ( -6.377 -7.123 -1.660) 9.704 6.599 ( -6.377 7.123 -1.660) 9.704 6.850 ( 12.781 -3.456 5.222) 14.232 6.850 ( 12.781 3.456 5.222) 14.232 7.680 ( -17.337 -6.608 -13.575) 22.990 7.680 ( -17.337 6.608 -13.575) 22.990 7.769 ( 5.402 -8.837 3.229) 10.849 7.769 ( 5.402 8.837 3.229) 10.849 8.013 ( 2.192 -4.838 -1.338) 5.478 8.013 ( 2.192 4.838 -1.338) 5.478 8.594 ( 4.001 -6.523 3.735) 8.515 8.594 ( 4.001 6.523 3.735) 8.515 9.085 ( 0.107 -1.680 11.765) 11.885 9.085 ( 0.107 1.680 11.765) 11.885 9.574 ( 20.512 -13.077 -5.495) 24.938 9.574 ( 20.512 13.077 -5.495) 24.938 10.150 ( -3.891 -5.207 -1.031) 6.582 10.150 ( -3.891 5.207 -1.031) 6.582 10.433 ( 8.173 -2.998 1.116) 8.777 10.433 ( 8.173 2.998 1.116) 8.777 11.214 ( 8.288 -7.874 2.551) 11.713 11.214 ( 8.288 7.874 2.551) 11.713 11.748 ( -1.959 -6.084 -14.091) 15.473 11.748 ( -1.959 6.084 -14.091) 15.473 12.545 ( -8.149 -7.989 -4.959) 12.443 12.545 ( -8.149 7.989 -4.959) 12.443 13.376 ( 16.504 -13.542 8.133) 22.845 13.376 ( 16.504 13.542 8.133) 22.845 14.223 ( 10.430 -26.462 16.273) 32.769 14.223 ( 10.430 26.462 16.273) 32.769 14.800 ( 7.757 -9.070 8.909) 14.893 14.800 ( 7.757 9.070 8.909) 14.893 15.243 ( -11.507 -11.190 3.618) 16.454 15.243 ( -11.507 11.190 3.618) 16.454 15.402 ( -10.126 -5.845 -7.909) 14.116 15.402 ( -10.126 5.845 -7.909) 14.116 16.585 ( 1.908 -8.341 -8.511) 12.068 16.585 ( 1.908 8.341 -8.511) 12.068 18.992 ( 2.769 -2.388 7.048) 7.940 18.992 ( 2.769 2.388 7.048) 7.940 19.860 ( -6.043 -7.089 -4.332) 10.273 19.860 ( -6.043 7.089 -4.332) 10.273 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 4.134 -6.897 6.198) 10.152 2.208 ( 4.134 6.897 6.198) 10.152 2.478 ( 0.137 -13.504 5.294) 14.505 2.478 ( 0.137 13.504 5.294) 14.505 2.789 ( 0.075 -3.239 -8.684) 9.269 2.789 ( 0.075 3.239 -8.684) 9.269 3.269 ( -8.319 -7.462 -0.928) 11.214 3.269 ( -8.319 7.462 -0.928) 11.214 3.625 ( -6.846 -3.813 -8.379) 11.472 3.625 ( -6.846 3.813 -8.379) 11.472 3.866 ( -10.764 -3.563 -3.892) 11.988 3.866 ( -10.764 3.563 -3.892) 11.988 5.253 ( 12.866 -1.072 -8.646) 15.538 5.253 ( 12.866 1.072 -8.646) 15.538 6.138 ( -2.861 -5.384 0.105) 6.098 6.138 ( -2.861 5.384 0.105) 6.098 6.246 ( 7.400 -13.229 8.431) 17.345 6.246 ( 7.400 13.229 8.431) 17.345 6.629 ( 9.934 -5.121 1.855) 11.329 6.629 ( 9.934 5.121 1.855) 11.329 7.067 ( 6.453 -3.112 8.645) 11.228 7.067 ( 6.453 3.112 8.645) 11.228 7.323 ( -15.733 -10.239 -9.847) 21.197 7.323 ( -15.733 10.239 -9.847) 21.197 7.862 ( 3.532 -8.236 2.424) 9.283 7.862 ( 3.532 8.236 2.424) 9.283 8.038 ( -0.385 -3.248 0.566) 3.319 8.038 ( -0.385 3.248 0.566) 3.319 8.692 ( 5.894 -5.802 8.209) 11.653 8.692 ( 5.894 5.802 8.209) 11.653 9.047 ( -3.519 -2.531 13.834) 14.498 9.047 ( -3.519 2.531 13.834) 14.498 9.882 ( 9.271 -8.764 -3.343) 13.188 9.882 ( 9.271 8.764 -3.343) 13.188 10.088 ( -2.353 -3.394 0.327) 4.143 10.088 ( -2.353 3.394 0.327) 4.143 10.690 ( 16.951 -5.429 -3.352) 18.112 10.690 ( 16.951 5.429 -3.352) 18.112 11.382 ( 6.986 -13.617 1.379) 15.366 11.382 ( 6.986 13.617 1.379) 15.366 11.685 ( -2.961 -7.604 -15.021) 17.094 11.685 ( -2.961 7.604 -15.021) 17.094 12.341 ( -12.071 -9.827 -2.994) 15.851 12.341 ( -12.071 9.827 -2.994) 15.851 13.747 ( 19.525 -21.151 -0.975) 28.801 13.747 ( 19.525 21.151 -0.975) 28.801 14.426 ( 7.970 -9.248 13.001) 17.834 14.426 ( 7.970 9.248 13.001) 17.834 14.863 ( -5.772 -19.939 -0.989) 20.781 14.863 ( -5.772 19.939 -0.989) 20.781 15.181 ( 2.127 -7.916 2.861) 8.682 15.181 ( 2.127 7.916 2.861) 8.682 15.235 ( 2.334 -6.598 10.357) 12.500 15.235 ( 2.334 6.598 10.357) 12.500 16.483 ( -11.951 -8.293 3.740) 15.020 16.483 ( -11.951 8.293 3.740) 15.020 19.101 ( 7.963 -5.004 -1.264) 9.490 19.101 ( 7.963 5.004 -1.264) 9.490 19.711 ( -8.695 -7.230 -5.796) 12.707 19.711 ( -8.695 7.230 -5.796) 12.707 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 4.126 -4.940 5.906) 8.735 2.289 ( 4.126 4.940 5.906) 8.735 2.388 ( -5.834 -7.030 5.471) 10.648 2.388 ( -5.834 7.030 5.471) 10.648 2.926 ( 9.809 -7.168 -4.946) 13.117 2.926 ( 9.809 7.168 -4.946) 13.117 3.111 ( -8.091 -6.879 -2.068) 10.820 3.111 ( -8.091 6.879 -2.068) 10.820 3.546 ( 0.400 -2.451 -5.939) 6.437 3.546 ( 0.400 2.451 -5.939) 6.437 3.653 ( -9.249 -2.235 -4.699) 10.613 3.653 ( -9.249 2.235 -4.699) 10.613 5.561 ( 16.747 -3.114 -11.934) 20.798 5.561 ( 16.747 3.114 -11.934) 20.798 5.895 ( -15.724 -8.105 -8.691) 19.710 5.895 ( -15.724 8.105 -8.691) 19.710 6.498 ( 13.851 -17.958 2.372) 22.802 6.498 ( 13.851 17.958 2.372) 22.802 6.743 ( -6.164 -5.526 -2.745) 8.722 6.743 ( -6.164 5.526 -2.745) 8.722 7.063 ( 2.952 -1.961 11.298) 11.841 7.063 ( 2.952 1.961 11.298) 11.841 7.175 ( -3.840 -3.423 5.510) 7.538 7.175 ( -3.840 3.423 5.510) 7.538 7.928 ( 3.441 -7.555 1.502) 8.437 7.928 ( 3.441 7.555 1.502) 8.437 7.998 ( -3.181 -2.807 1.153) 4.396 7.998 ( -3.181 2.807 1.153) 4.396 8.823 ( 6.781 -2.596 11.098) 13.262 8.823 ( 6.781 2.596 11.098) 13.262 8.952 ( -5.768 -1.389 12.992) 14.282 8.952 ( -5.768 1.389 12.992) 14.282 9.993 ( 3.255 -4.654 -0.088) 5.680 9.993 ( 3.255 4.654 -0.088) 5.680 10.045 ( -2.169 -2.718 0.955) 3.606 10.045 ( -2.169 2.718 0.955) 3.606 11.051 ( 17.372 -12.415 -7.078) 22.495 11.051 ( 17.372 12.415 -7.078) 22.495 11.345 ( -10.671 -17.649 -6.494) 21.622 11.345 ( -10.671 17.649 -6.494) 21.622 11.779 ( 12.256 -13.519 -5.703) 19.118 11.779 ( 12.256 13.519 -5.703) 19.118 12.067 ( -14.789 -11.589 -2.553) 18.962 12.067 ( -14.789 11.589 -2.553) 18.962 14.126 ( 17.402 -23.157 -5.982) 29.578 14.126 ( 17.402 23.157 -5.982) 29.578 14.418 ( -10.005 -13.453 -2.767) 16.992 14.418 ( -10.005 13.453 -2.767) 16.992 14.832 ( 5.903 -13.532 6.047) 15.954 14.832 ( 5.903 13.532 6.047) 15.954 15.008 ( -9.898 -8.211 3.391) 13.300 15.008 ( -9.898 8.211 3.391) 13.300 15.637 ( 24.847 -8.236 17.463) 31.467 15.637 ( 24.847 8.236 17.463) 31.467 16.128 ( -22.331 -8.473 13.187) 27.284 16.128 ( -22.331 8.473 13.187) 27.284 19.295 ( 10.798 -6.504 -5.884) 13.911 19.295 ( 10.798 6.504 -5.884) 13.911 19.515 ( -10.606 -7.124 -6.770) 14.459 19.515 ( -10.606 7.124 -6.770) 14.459 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 0.000 23.066) 23.066 2.033 ( 0.000 0.000 26.895) 26.895 2.456 ( 0.000 0.000 -7.631) 7.631 2.619 ( 0.000 0.000 -5.536) 5.536 2.965 ( 0.000 0.000 -0.587) 0.587 3.183 ( 0.000 0.000 3.802) 3.802 3.509 ( 0.000 0.000 0.349) 0.349 3.541 ( 0.000 0.000 1.510) 1.510 3.666 ( 0.000 0.000 -10.172) 10.172 3.844 ( 0.000 0.000 2.398) 2.398 3.936 ( 0.000 0.000 -10.707) 10.707 4.407 ( 0.000 0.000 -6.742) 6.742 5.045 ( 0.000 0.000 1.978) 1.978 5.179 ( 0.000 0.000 -2.992) 2.992 5.482 ( 0.000 0.000 13.568) 13.568 5.596 ( 0.000 0.000 11.975) 11.975 5.900 ( 0.000 0.000 14.951) 14.951 6.089 ( 0.000 0.000 2.874) 2.874 6.457 ( 0.000 0.000 -2.415) 2.415 6.827 ( 0.000 0.000 22.256) 22.256 6.830 ( 0.000 0.000 6.656) 6.656 7.217 ( 0.000 0.000 0.922) 0.922 7.262 ( 0.000 0.000 -8.961) 8.961 7.566 ( 0.000 0.000 -33.480) 33.480 7.787 ( 0.000 0.000 -16.370) 16.370 7.828 ( 0.000 0.000 -3.737) 3.737 7.952 ( 0.000 0.000 1.017) 1.017 8.083 ( 0.000 0.000 -9.005) 9.005 8.544 ( 0.000 0.000 3.498) 3.498 8.689 ( 0.000 0.000 -1.209) 1.209 8.697 ( 0.000 0.000 13.229) 13.229 8.738 ( 0.000 0.000 -2.767) 2.767 9.096 ( 0.000 0.000 -11.892) 11.892 9.680 ( 0.000 0.000 -13.507) 13.507 10.025 ( 0.000 0.000 6.857) 6.857 10.256 ( 0.000 0.000 2.340) 2.340 10.370 ( 0.000 0.000 -0.288) 0.288 10.551 ( 0.000 0.000 -6.789) 6.789 10.780 ( 0.000 0.000 21.654) 21.654 11.040 ( 0.000 0.000 17.651) 17.651 11.849 ( 0.000 0.000 -0.474) 0.474 11.955 ( 0.000 0.000 -19.063) 19.063 12.098 ( 0.000 0.000 0.403) 0.403 12.164 ( 0.000 0.000 -8.992) 8.992 12.874 ( 0.000 0.000 4.222) 4.222 13.112 ( 0.000 0.000 41.447) 41.447 13.669 ( 0.000 0.000 29.267) 29.267 14.618 ( 0.000 0.000 -38.028) 38.028 14.852 ( 0.000 0.000 21.389) 21.389 15.350 ( 0.000 0.000 -13.440) 13.440 15.381 ( 0.000 0.000 -25.194) 25.194 15.507 ( 0.000 0.000 12.261) 12.261 15.809 ( 0.000 0.000 -11.872) 11.872 16.121 ( 0.000 0.000 -4.333) 4.333 16.292 ( 0.000 0.000 5.095) 5.095 16.612 ( 0.000 0.000 -4.647) 4.647 19.030 ( 0.000 0.000 4.548) 4.548 19.312 ( 0.000 0.000 -3.820) 3.820 19.329 ( 0.000 0.000 19.030) 19.030 20.018 ( 0.000 0.000 -5.250) 5.250 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 2.471 0.000 22.101) 22.239 2.127 ( 9.064 0.000 24.819) 26.422 2.437 ( 0.861 0.000 -11.778) 11.809 2.738 ( 6.880 0.000 -4.360) 8.145 3.001 ( 3.386 0.000 0.099) 3.387 3.243 ( 6.334 0.000 6.317) 8.946 3.413 ( -9.430 0.000 1.629) 9.570 3.471 ( -4.359 0.000 -7.388) 8.578 3.640 ( -2.671 0.000 -10.068) 10.417 3.845 ( -0.198 0.000 5.664) 5.668 3.885 ( -5.083 0.000 -10.796) 11.933 4.334 ( -6.746 0.000 -5.594) 8.763 5.007 ( -3.410 0.000 2.550) 4.259 5.157 ( -2.229 0.000 -2.795) 3.575 5.308 ( -11.560 0.000 15.951) 19.699 5.584 ( -1.438 0.000 12.062) 12.148 6.063 ( 11.022 0.000 11.211) 15.721 6.217 ( 11.870 0.000 2.122) 12.058 6.459 ( 0.952 0.000 -3.418) 3.548 6.873 ( 5.088 0.000 16.059) 16.846 6.919 ( 6.546 0.000 4.842) 8.142 7.072 ( -10.691 0.000 -8.047) 13.381 7.267 ( 1.722 0.000 -3.565) 3.959 7.494 ( -21.742 0.000 -7.923) 23.140 7.631 ( 4.254 0.000 -24.162) 24.534 7.936 ( 10.445 0.000 -10.860) 15.068 8.023 ( 5.238 0.000 4.217) 6.724 8.335 ( 15.031 0.000 -3.278) 15.384 8.555 ( 0.853 0.000 3.736) 3.832 8.658 ( 1.096 0.000 4.621) 4.749 8.747 ( 3.013 0.000 4.171) 5.146 8.877 ( 11.977 0.000 -3.621) 12.512 9.142 ( 4.190 0.000 -11.202) 11.960 9.671 ( -2.223 0.000 -14.418) 14.588 10.091 ( 7.633 0.000 5.606) 9.471 10.324 ( 6.895 0.000 2.358) 7.288 10.431 ( 5.831 0.000 1.591) 6.044 10.471 ( -4.769 0.000 1.237) 4.927 10.839 ( 2.277 0.000 13.944) 14.129 11.036 ( -0.127 0.000 15.822) 15.822 11.880 ( 3.413 0.000 0.360) 3.432 11.954 ( -11.538 0.000 6.295) 13.144 11.989 ( 3.122 0.000 -20.158) 20.398 12.155 ( -0.887 0.000 -8.745) 8.790 12.729 ( -8.807 0.000 -1.591) 8.950 13.469 ( 27.008 0.000 38.437) 46.977 13.788 ( 11.161 0.000 28.858) 30.941 14.311 ( -23.962 0.000 -35.072) 42.476 14.888 ( 3.952 0.000 20.057) 20.443 15.331 ( -2.387 0.000 -9.647) 9.938 15.511 ( 0.262 0.000 10.542) 10.545 15.634 ( 18.203 0.000 -25.351) 31.209 15.689 ( -7.304 0.000 -1.011) 7.374 16.312 ( 1.948 0.000 4.971) 5.339 16.313 ( 14.659 0.000 -14.036) 20.295 16.610 ( -0.138 0.000 -4.189) 4.192 18.896 ( -12.332 0.000 6.051) 13.737 19.254 ( -5.653 0.000 -4.810) 7.422 19.310 ( -1.775 0.000 17.709) 17.798 19.983 ( -3.417 0.000 -5.530) 6.500 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.966 0.000 16.623) 16.651 2.373 ( 14.504 0.000 19.938) 24.655 2.497 ( 3.579 0.000 -14.361) 14.800 2.784 ( -1.874 0.000 -1.247) 2.251 3.089 ( 4.831 0.000 2.140) 5.284 3.191 ( -10.621 0.000 0.271) 10.625 3.345 ( -2.277 0.000 0.592) 2.353 3.474 ( 6.080 0.000 -17.106) 18.155 3.559 ( -5.205 0.000 -9.329) 10.683 3.737 ( -9.281 0.000 -10.146) 13.751 3.866 ( 4.843 0.000 13.891) 14.711 4.180 ( -6.913 0.000 -1.904) 7.171 4.932 ( -3.421 0.000 1.823) 3.877 5.091 ( -4.193 0.000 -2.651) 4.961 5.109 ( -7.829 0.000 12.882) 15.075 5.543 ( -2.019 0.000 9.556) 9.767 6.272 ( 9.437 0.000 8.544) 12.730 6.495 ( 12.026 0.000 -6.027) 13.452 6.501 ( 1.347 0.000 -7.984) 8.096 6.817 ( -11.864 0.000 -11.664) 16.637 6.943 ( -7.214 0.000 1.851) 7.448 7.016 ( 3.200 0.000 -0.465) 3.233 7.164 ( -0.132 0.000 5.098) 5.100 7.405 ( 9.447 0.000 10.014) 13.767 7.695 ( 2.292 0.000 -15.236) 15.408 8.078 ( 3.513 0.000 -1.363) 3.768 8.115 ( 3.520 0.000 6.939) 7.781 8.535 ( -0.027 0.000 -3.382) 3.382 8.646 ( 12.560 0.000 8.467) 15.148 8.720 ( 4.532 0.000 3.672) 5.833 8.873 ( 9.313 0.000 -0.003) 9.313 9.148 ( 13.087 0.000 -3.940) 13.667 9.236 ( 4.337 0.000 -8.210) 9.285 9.583 ( -5.701 0.000 -11.856) 13.155 10.258 ( 3.707 0.000 4.300) 5.677 10.492 ( 11.420 0.000 -0.255) 11.423 10.522 ( 10.921 0.000 5.170) 12.083 10.597 ( 11.288 0.000 5.099) 12.386 10.803 ( -5.796 0.000 11.594) 12.962 11.049 ( 1.430 0.000 11.170) 11.261 11.740 ( -7.699 0.000 6.218) 9.896 11.983 ( 6.263 0.000 -0.804) 6.315 12.039 ( -1.151 0.000 -22.147) 22.177 12.145 ( 1.938 0.000 -6.761) 7.033 12.532 ( -11.001 0.000 -7.999) 13.602 13.784 ( -26.887 0.000 -32.466) 42.153 14.075 ( 15.927 0.000 26.858) 31.226 14.091 ( 33.196 0.000 35.444) 48.562 15.032 ( 10.435 0.000 17.293) 20.198 15.231 ( -7.420 0.000 -1.243) 7.524 15.504 ( -0.853 0.000 3.113) 3.228 15.620 ( 1.493 0.000 10.971) 11.072 15.954 ( 11.523 0.000 -19.975) 23.060 16.371 ( 3.959 0.000 4.638) 6.097 16.608 ( 0.005 0.000 -2.911) 2.911 16.622 ( 14.521 0.000 -17.138) 22.463 18.590 ( -16.481 0.000 6.486) 17.711 19.090 ( -10.449 0.000 -7.462) 12.840 19.272 ( -1.513 0.000 13.427) 13.512 19.882 ( -6.561 0.000 -6.184) 9.016 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 4.172 0.000 7.335) 8.438 2.483 ( -6.743 0.000 -12.609) 14.299 2.676 ( 14.760 0.000 14.347) 20.584 2.763 ( 1.580 0.000 -4.107) 4.400 3.010 ( -7.353 0.000 -1.942) 7.605 3.165 ( 1.586 0.000 5.011) 5.256 3.266 ( -3.303 0.000 -1.486) 3.622 3.452 ( -4.612 0.000 -8.098) 9.319 3.484 ( -4.340 0.000 -12.863) 13.575 3.541 ( -9.016 0.000 -8.018) 12.065 4.032 ( 4.902 0.000 8.557) 9.862 4.143 ( 5.626 0.000 8.132) 9.888 4.884 ( -1.365 0.000 -1.165) 1.795 4.998 ( -4.738 0.000 -2.706) 5.456 5.026 ( 1.626 0.000 1.611) 2.289 5.540 ( 2.831 0.000 3.076) 4.180 6.211 ( -20.373 0.000 -19.830) 28.431 6.385 ( -19.281 0.000 -21.957) 29.221 6.548 ( 10.722 0.000 7.166) 12.896 6.811 ( 8.499 0.000 1.123) 8.573 6.980 ( 12.859 0.000 14.570) 19.433 7.061 ( 1.254 0.000 -1.227) 1.754 7.311 ( 7.067 0.000 7.006) 9.951 7.490 ( -3.089 0.000 3.511) 4.676 7.782 ( 7.362 0.000 -0.416) 7.374 8.107 ( -0.294 0.000 1.850) 1.873 8.177 ( 3.227 0.000 6.833) 7.556 8.485 ( -4.102 0.000 -0.367) 4.119 8.840 ( 7.316 0.000 5.758) 9.310 8.902 ( 11.996 0.000 7.878) 14.352 9.076 ( 9.621 0.000 -1.261) 9.703 9.289 ( 0.516 0.000 -3.240) 3.281 9.312 ( 1.119 0.000 -0.752) 1.348 9.495 ( -1.150 0.000 -9.921) 9.987 10.284 ( 1.507 0.000 8.551) 8.683 10.639 ( -9.339 0.000 11.493) 14.809 10.679 ( 5.547 0.000 15.255) 16.232 10.853 ( 20.896 0.000 -7.448) 22.183 10.900 ( 14.223 0.000 3.862) 14.738 11.073 ( 2.534 0.000 9.727) 10.052 11.713 ( 4.917 0.000 -2.943) 5.730 11.909 ( -10.456 0.000 -14.800) 18.121 12.110 ( 5.992 0.000 -5.830) 8.360 12.224 ( 3.732 0.000 -10.737) 11.367 12.300 ( -10.584 0.000 -12.190) 16.143 13.239 ( -26.818 0.000 -28.925) 39.445 14.376 ( 13.360 0.000 22.891) 26.504 14.775 ( 33.664 0.000 28.232) 43.935 15.029 ( -9.995 0.000 10.563) 14.543 15.294 ( 10.866 0.000 4.582) 11.792 15.493 ( -0.331 0.000 1.352) 1.392 15.768 ( 14.748 0.000 19.158) 24.177 16.047 ( -2.562 0.000 -8.857) 9.220 16.464 ( 4.657 0.000 3.940) 6.100 16.610 ( -0.016 0.000 -0.902) 0.902 16.820 ( 2.721 0.000 -6.925) 7.441 18.314 ( -8.468 0.000 -0.787) 8.504 18.843 ( -13.748 0.000 -10.969) 17.588 19.272 ( 2.066 0.000 6.217) 6.551 19.724 ( -8.913 0.000 -6.586) 11.082 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 10.590 0.000 -2.590) 10.902 2.265 ( -13.127 0.000 -9.559) 16.239 2.816 ( 3.015 0.000 -4.954) 5.799 2.890 ( -4.647 0.000 -2.923) 5.490 2.939 ( 10.955 0.000 8.940) 14.140 3.114 ( -6.343 0.000 5.782) 8.583 3.266 ( 3.299 0.000 -2.421) 4.092 3.369 ( -6.160 0.000 -7.395) 9.624 3.399 ( -0.696 0.000 -5.272) 5.317 3.418 ( -2.986 0.000 -5.313) 6.095 4.106 ( 4.678 0.000 9.167) 10.292 4.198 ( -2.647 0.000 13.014) 13.281 4.875 ( 0.574 0.000 -2.547) 2.611 4.914 ( -3.310 0.000 -2.696) 4.269 5.249 ( 19.727 0.000 -13.091) 23.675 5.683 ( 11.450 0.000 -6.286) 13.062 5.725 ( -25.534 0.000 -19.691) 32.245 5.989 ( -18.331 0.000 -15.000) 23.686 6.788 ( 11.221 0.000 6.853) 13.148 6.937 ( -1.325 0.000 5.079) 5.249 7.120 ( 8.225 0.000 -1.650) 8.389 7.229 ( 10.303 0.000 11.341) 15.322 7.335 ( -10.651 0.000 0.149) 10.652 7.362 ( -2.338 0.000 8.686) 8.995 7.941 ( 7.450 0.000 3.951) 8.433 8.062 ( -4.271 0.000 2.861) 5.141 8.264 ( 5.418 0.000 4.253) 6.887 8.382 ( -5.859 0.000 1.555) 6.062 8.998 ( 7.938 0.000 6.087) 10.004 9.115 ( 8.880 0.000 6.109) 10.779 9.142 ( -5.087 0.000 4.560) 6.832 9.250 ( -4.381 0.000 2.021) 4.825 9.350 ( 7.029 0.000 -5.092) 8.679 9.474 ( -3.513 0.000 -5.468) 6.499 10.343 ( 4.379 0.000 10.426) 11.308 10.463 ( -7.597 0.000 11.610) 13.875 10.785 ( 5.574 0.000 17.012) 17.902 10.906 ( -6.015 0.000 15.711) 16.823 11.272 ( 20.007 0.000 -10.721) 22.699 11.370 ( 19.579 0.000 -0.623) 19.589 11.639 ( -16.096 0.000 -12.310) 20.264 11.709 ( -11.129 0.000 -1.788) 11.272 12.213 ( 3.977 0.000 -9.226) 10.046 12.259 ( -0.374 0.000 -10.503) 10.510 12.295 ( 14.024 0.000 -21.725) 25.858 12.716 ( -24.688 0.000 -25.524) 35.510 14.615 ( 10.730 0.000 18.781) 21.630 14.823 ( -10.225 0.000 14.734) 17.934 15.404 ( 27.770 0.000 17.741) 32.953 15.433 ( 3.773 0.000 0.966) 3.895 15.480 ( -1.251 0.000 1.188) 1.725 15.855 ( -16.349 0.000 4.475) 16.950 16.202 ( 25.347 0.000 19.581) 32.029 16.543 ( 3.258 0.000 3.317) 4.650 16.595 ( -1.725 0.000 1.724) 2.439 16.664 ( -17.687 0.000 10.498) 20.567 18.313 ( 7.842 0.000 -12.012) 14.345 18.554 ( -14.304 0.000 -13.847) 19.908 19.364 ( 6.956 0.000 -1.216) 7.061 19.535 ( -9.456 0.000 -5.483) 10.931 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 10.301 20.429) 22.880 1.934 ( 0.000 -5.730 23.395) 24.087 2.375 ( 0.000 -6.546 -7.191) 9.724 2.719 ( 0.000 5.720 -3.824) 6.881 3.020 ( 0.000 2.125 -1.908) 2.856 3.210 ( 0.000 0.525 0.390) 0.654 3.413 ( 0.000 -3.940 -1.359) 4.168 3.443 ( 0.000 -10.087 -11.010) 14.932 3.646 ( 0.000 -4.139 6.715) 7.888 3.685 ( 0.000 0.112 -10.589) 10.589 4.083 ( 0.000 3.089 -9.318) 9.817 4.282 ( 0.000 -9.487 -7.889) 12.339 5.124 ( 0.000 7.928 11.952) 14.342 5.416 ( 0.000 18.210 -0.974) 18.236 5.544 ( 0.000 4.202 14.585) 15.178 5.630 ( 0.000 5.400 10.826) 12.098 5.858 ( 0.000 -3.156 15.401) 15.721 6.157 ( 0.000 5.412 2.209) 5.845 6.463 ( 0.000 0.536 -2.323) 2.384 6.739 ( 0.000 -7.843 20.471) 21.922 6.896 ( 0.000 3.788 5.222) 6.452 7.153 ( 0.000 -3.297 3.922) 5.124 7.205 ( 0.000 -5.110 -8.727) 10.113 7.587 ( 0.000 1.963 -32.064) 32.124 7.798 ( 0.000 1.247 -13.515) 13.573 7.848 ( 0.000 0.081 -9.933) 9.934 7.980 ( 0.000 1.851 1.732) 2.535 8.160 ( 0.000 6.056 -7.916) 9.967 8.375 ( 0.000 -8.025 2.742) 8.481 8.537 ( 0.000 -13.194 -1.211) 13.249 8.687 ( 0.000 -3.183 -4.193) 5.264 8.951 ( 0.000 15.101 13.690) 20.383 8.955 ( 0.000 -10.022 -11.206) 15.034 9.712 ( 0.000 0.707 -4.556) 4.611 10.037 ( 0.000 2.021 4.530) 4.960 10.332 ( 0.000 4.707 3.167) 5.674 10.402 ( 0.000 1.760 -0.808) 1.936 10.496 ( 0.000 -4.805 -5.933) 7.635 10.783 ( 0.000 1.376 14.560) 14.625 11.049 ( 0.000 1.380 16.964) 17.020 11.754 ( 0.000 -4.091 -1.063) 4.227 11.876 ( 0.000 -6.692 -16.939) 18.213 12.198 ( 0.000 3.255 -9.982) 10.499 12.349 ( 0.000 15.168 -7.874) 17.090 12.929 ( 0.000 7.470 13.158) 15.130 13.197 ( 0.000 7.188 39.194) 39.847 13.697 ( 0.000 2.309 28.441) 28.534 14.710 ( 0.000 7.689 -34.786) 35.626 14.819 ( 0.000 -2.472 20.471) 20.619 15.361 ( 0.000 -0.575 -7.653) 7.675 15.415 ( 0.000 2.765 -24.719) 24.873 15.437 ( 0.000 -5.006 5.674) 7.567 15.787 ( 0.000 -2.375 -12.160) 12.390 16.016 ( 0.000 -22.744 6.515) 23.659 16.035 ( 0.000 -7.550 -0.594) 7.573 16.425 ( 0.000 -15.227 -8.629) 17.502 19.108 ( 0.000 5.902 5.749) 8.239 19.291 ( 0.000 0.019 13.052) 13.052 19.484 ( 0.000 10.840 1.311) 10.919 20.019 ( 0.000 -0.053 -5.171) 5.171 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 1.895 8.435 19.212) 21.068 2.045 ( 9.935 -4.060 21.161) 23.727 2.385 ( 1.948 -5.286 -8.883) 10.519 2.731 ( -0.162 -0.024 -2.975) 2.979 3.062 ( 2.460 0.073 -0.024) 2.461 3.246 ( 2.808 -2.596 3.659) 5.292 3.346 ( -4.607 -5.198 -7.136) 9.958 3.422 ( -1.269 0.792 -11.056) 11.157 3.602 ( -3.632 -4.935 2.738) 6.712 3.677 ( -1.365 -2.152 -8.451) 8.827 4.026 ( -5.208 2.116 -7.861) 9.664 4.212 ( -6.582 -8.729 -7.249) 13.118 5.103 ( -2.026 9.135 12.808) 15.862 5.373 ( -12.576 5.429 14.750) 20.130 5.402 ( -1.529 18.548 -0.507) 18.618 5.589 ( -1.514 1.293 11.324) 11.498 6.052 ( 12.822 0.091 12.541) 17.936 6.252 ( 8.951 2.907 1.029) 9.468 6.495 ( 3.296 2.738 -3.122) 5.301 6.816 ( 7.462 -5.848 16.151) 18.728 6.925 ( 2.033 -0.498 1.908) 2.832 7.024 ( -9.670 -4.369 -5.837) 12.111 7.261 ( 5.135 1.043 -0.502) 5.264 7.520 ( -19.254 1.816 -11.777) 22.643 7.630 ( 1.341 0.538 -21.787) 21.835 7.904 ( 7.273 -2.044 -8.650) 11.485 8.060 ( 2.919 0.664 4.002) 4.997 8.353 ( 12.185 -0.219 -6.075) 13.617 8.488 ( 10.249 -1.029 0.818) 10.333 8.560 ( 2.859 -9.656 1.307) 10.155 8.784 ( 7.412 -0.835 -3.904) 8.419 8.945 ( 3.848 1.471 -0.156) 4.123 9.024 ( 4.360 -0.001 -0.822) 4.437 9.765 ( 3.138 4.822 -8.883) 10.584 10.056 ( 3.524 -1.866 6.512) 7.635 10.375 ( 4.530 2.726 4.369) 6.858 10.424 ( -1.883 -2.179 0.168) 2.885 10.469 ( 3.563 0.298 -0.932) 3.695 10.830 ( 2.165 0.550 8.958) 9.232 11.049 ( 0.028 1.823 15.651) 15.757 11.733 ( -2.302 -5.061 -1.578) 5.780 11.894 ( 2.214 -6.653 -15.012) 16.569 12.189 ( -1.354 3.453 -8.456) 9.233 12.287 ( -4.084 17.495 -3.570) 18.316 12.771 ( -8.929 5.407 4.885) 11.525 13.549 ( 26.060 6.881 37.158) 45.904 13.805 ( 10.281 1.700 27.862) 29.747 14.412 ( -22.345 8.747 -31.203) 39.363 14.862 ( 3.880 -1.943 18.244) 18.752 15.322 ( -2.596 -1.589 -6.732) 7.388 15.443 ( 0.669 -5.620 7.440) 9.348 15.654 ( -1.179 -1.317 -8.809) 8.984 15.692 ( 11.517 3.138 -18.209) 21.773 16.024 ( 1.656 -23.728 5.478) 24.408 16.173 ( 7.616 -13.560 -5.302) 16.431 16.467 ( 5.237 -10.221 -11.293) 16.106 18.997 ( -10.194 7.668 6.590) 14.358 19.264 ( -2.619 0.486 10.452) 10.786 19.437 ( -4.489 10.573 1.738) 11.618 19.983 ( -3.500 -0.136 -5.479) 6.503 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 1.007 8.765 13.487) 16.116 2.299 ( 14.288 -4.976 16.984) 22.745 2.461 ( 4.599 -3.927 -9.669) 11.404 2.701 ( -1.888 -4.596 -1.821) 5.292 3.013 ( -6.421 -7.200 2.922) 10.080 3.202 ( -7.159 -9.755 -3.536) 12.606 3.336 ( 2.789 7.968 -1.215) 8.529 3.454 ( 0.277 -2.625 -13.969) 14.216 3.523 ( -3.314 -3.227 -2.595) 5.304 3.641 ( -0.845 -3.514 -8.313) 9.064 3.908 ( -5.083 -0.116 -2.495) 5.663 4.054 ( -7.741 -7.918 -4.752) 12.050 5.059 ( -1.543 10.364 10.845) 15.081 5.143 ( -9.170 2.938 11.730) 15.176 5.360 ( -2.836 20.587 -0.806) 20.797 5.561 ( -0.656 2.903 9.354) 9.816 6.299 ( 10.891 2.638 8.900) 14.311 6.470 ( 10.023 0.250 -4.714) 11.079 6.565 ( 0.205 2.708 -9.287) 9.676 6.782 ( -10.078 -2.716 -9.797) 14.315 6.954 ( -0.550 -0.513 -4.633) 4.693 7.016 ( 8.377 -2.227 10.098) 13.308 7.175 ( -7.230 3.224 1.251) 8.014 7.429 ( 9.230 1.966 9.177) 13.164 7.661 ( 0.806 -2.352 -13.488) 13.715 7.988 ( 1.187 -5.681 -1.667) 6.038 8.131 ( 3.877 -0.384 5.814) 6.998 8.479 ( 1.237 -6.275 -3.052) 7.087 8.654 ( 6.613 -5.197 2.850) 8.881 8.771 ( 14.334 11.085 3.481) 18.452 8.903 ( 7.098 0.327 0.265) 7.110 9.105 ( 4.414 -5.290 -4.468) 8.212 9.163 ( 12.450 1.856 -2.128) 12.766 9.759 ( -3.246 11.125 -9.832) 15.198 10.186 ( 5.319 -6.402 5.919) 10.214 10.451 ( 9.359 -4.387 -1.939) 10.517 10.519 ( 8.103 -1.590 7.433) 11.110 10.600 ( 7.910 0.105 4.860) 9.285 10.826 ( -1.096 3.238 3.981) 5.247 11.053 ( 0.359 1.833 12.349) 12.489 11.675 ( -2.473 -3.644 -3.985) 5.939 11.958 ( 2.470 -7.056 -15.219) 16.956 12.123 ( -3.987 4.759 -0.133) 6.210 12.263 ( 1.554 14.288 -8.054) 16.475 12.596 ( -8.685 7.118 -3.538) 11.773 13.865 ( -19.525 5.411 -19.035) 27.800 14.110 ( 16.128 5.812 18.825) 25.461 14.173 ( 26.055 6.119 31.335) 41.209 14.993 ( 9.233 -3.654 15.362) 18.292 15.227 ( -7.017 -0.554 -0.330) 7.047 15.452 ( -0.189 -4.637 2.543) 5.292 15.573 ( 0.173 -4.140 9.295) 10.177 15.969 ( 6.942 -4.258 -16.583) 18.475 16.106 ( 7.869 -17.108 2.217) 18.961 16.257 ( 1.749 -22.585 -3.392) 22.905 16.643 ( 10.176 -3.593 -14.120) 17.772 18.748 ( -13.066 11.950 5.996) 18.695 19.184 ( -5.877 4.657 -0.080) 7.499 19.325 ( -5.361 7.052 5.781) 10.578 19.880 ( -6.671 -0.325 -6.207) 9.118 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 3.596 8.561 5.917) 11.011 2.458 ( -3.686 -2.508 -6.120) 7.572 2.603 ( 11.235 -5.117 10.073) 15.934 2.713 ( 4.015 -4.095 -4.707) 7.419 2.897 ( -3.777 -7.015 -0.685) 7.997 3.056 ( -5.514 -10.524 1.999) 12.048 3.363 ( -0.651 6.455 -1.362) 6.629 3.369 ( -6.098 -7.241 -3.727) 10.174 3.447 ( -3.881 -0.928 -8.446) 9.341 3.587 ( -5.989 -0.234 -12.244) 13.632 3.852 ( -2.002 -9.844 1.559) 10.166 3.972 ( -0.539 -11.773 1.725) 11.911 5.048 ( 0.272 3.620 4.550) 5.821 5.078 ( 4.730 10.676 2.310) 11.903 5.283 ( -4.625 20.959 -2.324) 21.589 5.594 ( 4.405 6.670 4.299) 9.076 6.201 ( -20.937 -1.008 -19.201) 28.426 6.430 ( -16.859 3.747 -21.657) 27.700 6.609 ( 12.023 4.717 9.232) 15.875 6.811 ( 10.398 1.531 2.677) 10.846 6.963 ( 4.486 -1.442 1.663) 4.997 7.172 ( 9.408 7.174 11.080) 16.210 7.268 ( 5.737 -2.968 5.747) 8.646 7.547 ( 0.954 3.265 8.134) 8.817 7.678 ( 2.298 -7.016 -3.828) 8.316 7.982 ( -1.843 -8.104 -0.563) 8.329 8.204 ( 3.652 0.105 6.647) 7.585 8.453 ( -3.074 -4.534 -0.169) 5.481 8.814 ( 9.234 -1.992 6.143) 11.268 8.977 ( 7.422 5.697 8.326) 12.524 9.126 ( 11.617 2.348 -1.648) 11.966 9.154 ( 1.037 -2.531 0.140) 2.739 9.349 ( 4.744 1.852 -1.068) 5.203 9.684 ( -3.326 11.794 -9.450) 15.475 10.239 ( 2.031 -3.925 8.021) 9.158 10.524 ( -5.457 -8.438 9.178) 13.609 10.744 ( 6.013 2.018 11.919) 13.501 10.813 ( 20.534 -3.310 -7.100) 21.978 10.937 ( 10.140 2.679 0.736) 10.514 11.064 ( 2.890 1.801 9.524) 10.114 11.667 ( 1.181 -2.518 -6.069) 6.676 11.887 ( -9.368 -2.921 -17.862) 20.380 12.094 ( 0.226 -4.250 -0.332) 4.269 12.307 ( 0.216 6.379 -12.986) 14.469 12.462 ( -1.227 18.045 -4.777) 18.707 13.391 ( -23.796 13.250 -24.677) 36.752 14.411 ( 13.701 3.137 21.124) 25.372 14.802 ( 30.961 1.846 26.555) 40.830 15.044 ( -9.025 1.268 9.453) 13.131 15.226 ( 10.662 -6.889 5.161) 13.703 15.443 ( -0.452 -4.512 0.631) 4.578 15.677 ( 9.824 -8.265 15.279) 19.956 16.010 ( -0.945 -10.003 -5.658) 11.531 16.233 ( 3.478 -20.098 3.794) 20.747 16.300 ( 2.047 -14.291 -0.729) 14.455 16.776 ( 0.911 -4.399 -5.563) 7.151 18.541 ( -5.749 16.641 -0.563) 17.615 19.005 ( -11.383 12.385 -9.777) 19.456 19.277 ( 0.993 0.633 5.526) 5.650 19.720 ( -9.017 -0.538 -6.702) 11.248 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 8.729 6.414 -1.765) 10.975 2.294 ( -10.680 2.407 -6.975) 12.982 2.722 ( 2.831 -6.434 0.164) 7.031 2.773 ( -1.741 -8.151 2.966) 8.847 2.935 ( 7.124 -2.112 -0.833) 7.477 3.017 ( -0.488 -8.283 1.913) 8.515 3.264 ( -2.548 -5.225 -1.743) 6.068 3.306 ( -4.741 -0.406 -4.385) 6.471 3.409 ( 0.932 0.158 -4.750) 4.843 3.471 ( -4.589 2.687 -5.494) 7.647 3.847 ( 2.067 -16.410 3.949) 17.005 3.923 ( -4.403 -17.207 5.308) 18.537 5.102 ( 3.865 11.555 -0.814) 12.212 5.188 ( -4.553 17.825 -2.211) 18.530 5.308 ( 17.681 5.435 -10.257) 21.150 5.726 ( -14.060 2.070 -15.308) 20.888 5.763 ( 2.273 6.902 -7.117) 10.171 6.056 ( -17.892 7.072 -14.730) 24.231 6.849 ( 10.108 4.740 7.874) 13.661 6.967 ( -0.215 2.209 4.799) 5.288 7.078 ( 9.761 -1.155 1.968) 10.024 7.263 ( -6.211 -2.343 3.794) 7.646 7.366 ( 8.612 8.687 10.404) 16.058 7.497 ( -4.483 6.974 7.670) 11.295 7.771 ( 6.259 -11.806 0.696) 13.380 7.902 ( -5.914 -10.974 -0.354) 12.471 8.287 ( 4.472 -0.657 5.223) 6.908 8.376 ( -4.282 -2.409 2.818) 5.664 9.000 ( 8.184 0.491 7.602) 11.181 9.110 ( 2.369 0.333 5.752) 6.230 9.126 ( 0.714 -2.098 5.281) 5.727 9.235 ( -3.186 0.292 6.799) 7.514 9.457 ( 8.521 8.463 -6.360) 13.590 9.609 ( -5.375 10.377 -7.750) 14.023 10.295 ( 3.625 -4.154 9.171) 10.701 10.392 ( -6.097 -5.927 9.807) 12.980 10.849 ( 4.876 3.575 13.287) 14.598 10.943 ( -4.129 2.111 10.805) 11.758 11.233 ( 19.464 -1.925 -10.022) 21.977 11.326 ( 16.034 -3.075 -1.640) 16.408 11.599 ( -11.132 1.155 -1.323) 11.270 11.648 ( -12.422 -6.619 -14.376) 20.119 12.129 ( 4.542 -5.195 -10.485) 12.552 12.238 ( -5.063 -1.442 -11.258) 12.428 12.602 ( 12.845 23.420 -12.430) 29.462 12.942 ( -20.250 19.162 -20.003) 34.313 14.652 ( 10.558 3.386 17.123) 20.399 14.852 ( -9.602 2.632 13.108) 16.460 15.306 ( 12.606 -7.543 9.533) 17.512 15.393 ( 1.994 -6.045 2.919) 7.003 15.478 ( 12.614 -1.895 5.944) 14.073 15.778 ( -8.233 -12.958 1.787) 15.456 16.066 ( 10.802 -11.511 12.633) 20.219 16.242 ( -5.021 -20.002 6.555) 21.639 16.373 ( 9.664 -10.184 8.748) 16.542 16.643 ( -13.111 -4.055 7.494) 15.636 18.554 ( 6.666 17.819 -9.395) 21.219 18.759 ( -12.280 15.722 -11.902) 23.230 19.359 ( 6.799 -0.652 -1.490) 6.991 19.529 ( -9.513 -0.709 -5.693) 11.109 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.000 2.210 14.115) 14.287 2.114 ( 0.000 4.827 6.993) 8.497 2.254 ( 0.000 1.931 4.226) 4.646 2.729 ( 0.000 -6.331 3.840) 7.404 2.949 ( 0.000 -6.078 -8.023) 10.065 3.062 ( 0.000 -10.789 -5.650) 12.179 3.375 ( 0.000 4.423 -17.646) 18.192 3.487 ( 0.000 7.862 -0.584) 7.884 3.667 ( 0.000 -0.503 -13.692) 13.701 3.675 ( 0.000 4.684 -0.101) 4.685 4.029 ( 0.000 -7.172 -8.418) 11.059 4.054 ( 0.000 -11.029 -8.267) 13.783 5.416 ( 0.000 18.685 25.433) 31.559 5.606 ( 0.000 3.107 16.033) 16.332 5.754 ( 0.000 0.440 14.182) 14.189 5.830 ( 0.000 10.256 3.839) 10.951 5.852 ( 0.000 11.557 5.976) 13.011 6.252 ( 0.000 -2.812 8.931) 9.363 6.486 ( 0.000 2.077 -1.250) 2.424 6.533 ( 0.000 -4.747 10.460) 11.487 6.845 ( 0.000 -7.282 3.176) 7.945 7.044 ( 0.000 -9.898 -7.224) 12.254 7.266 ( 0.000 13.109 6.869) 14.800 7.650 ( 0.000 3.902 -27.968) 28.239 7.779 ( 0.000 -4.035 -14.066) 14.633 7.871 ( 0.000 3.008 -9.758) 10.211 8.001 ( 0.000 -0.325 1.143) 1.188 8.117 ( 0.000 -16.769 -2.356) 16.934 8.243 ( 0.000 -3.841 -3.768) 5.381 8.302 ( 0.000 -2.143 -8.169) 8.445 8.665 ( 0.000 1.370 -4.807) 4.998 8.776 ( 0.000 -5.257 -7.583) 9.227 9.263 ( 0.000 13.243 16.361) 21.049 9.663 ( 0.000 -5.030 8.421) 9.809 10.122 ( 0.000 5.372 0.270) 5.379 10.370 ( 0.000 -6.057 -3.929) 7.219 10.370 ( 0.000 -1.000 9.190) 9.244 10.400 ( 0.000 -2.132 -0.207) 2.142 10.893 ( 0.000 8.502 -1.151) 8.580 11.104 ( 0.000 2.548 12.776) 13.027 11.690 ( 0.000 -2.605 0.109) 2.608 11.713 ( 0.000 -6.970 -12.062) 13.931 12.299 ( 0.000 5.888 -12.633) 13.938 12.512 ( 0.000 -0.285 -17.454) 17.457 13.319 ( 0.000 25.113 22.846) 33.950 13.381 ( 0.000 8.993 35.597) 36.715 13.769 ( 0.000 6.372 27.161) 27.898 14.787 ( 0.000 0.545 16.826) 16.835 14.873 ( 0.000 4.180 -20.204) 20.632 15.070 ( 0.000 -28.330 13.886) 31.550 15.443 ( 0.000 0.002 -14.886) 14.886 15.477 ( 0.000 2.270 -24.804) 24.908 15.537 ( 0.000 -5.661 -6.587) 8.686 15.764 ( 0.000 -2.458 -4.534) 5.157 15.840 ( 0.000 -9.071 6.334) 11.064 16.056 ( 0.000 -17.489 -18.335) 25.338 19.226 ( 0.000 4.327 9.012) 9.997 19.296 ( 0.000 0.159 14.152) 14.153 19.730 ( 0.000 10.786 -2.107) 10.990 20.001 ( 0.000 -1.979 -4.740) 5.137 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.277 1.654 12.382) 14.457 2.175 ( 5.001 7.538 9.281) 12.960 2.254 ( 0.643 -1.500 1.227) 2.042 2.693 ( -3.321 -5.228 2.820) 6.805 2.917 ( -3.306 -7.935 -5.689) 10.308 3.049 ( -1.909 -11.169 -6.679) 13.153 3.399 ( 2.320 4.452 -15.357) 16.157 3.458 ( -3.505 4.811 0.902) 6.020 3.611 ( -2.752 -1.789 -8.983) 9.564 3.674 ( -2.433 5.553 -8.244) 10.233 3.914 ( -7.009 -9.643 -6.309) 13.488 4.067 ( -1.994 -5.557 -9.573) 11.247 5.373 ( -5.466 12.536 24.342) 27.921 5.479 ( -13.285 3.152 16.200) 21.187 5.645 ( 1.106 9.040 12.238) 15.255 5.848 ( 2.229 17.347 -0.186) 17.491 6.089 ( 13.652 2.543 9.750) 16.968 6.309 ( 5.940 -0.941 4.941) 7.784 6.548 ( 4.392 0.776 -2.591) 5.158 6.632 ( 9.172 -6.265 11.387) 15.907 6.843 ( 0.220 -6.378 0.786) 6.431 6.908 ( -8.795 -6.800 -4.599) 12.031 7.386 ( 7.421 10.763 3.981) 13.666 7.570 ( -12.816 3.347 -18.124) 22.449 7.647 ( -3.736 0.247 -18.673) 19.045 7.873 ( 2.391 -0.882 -4.215) 4.926 8.014 ( 0.785 -4.162 2.241) 4.791 8.165 ( 4.522 -16.610 -1.700) 17.298 8.384 ( 10.446 -1.682 -2.953) 10.985 8.529 ( 16.556 -1.490 -5.043) 17.371 8.786 ( 9.172 1.724 -7.529) 11.991 8.835 ( 9.284 -2.097 -8.788) 12.955 9.266 ( 0.189 13.243 15.998) 20.769 9.747 ( 8.081 -6.572 7.188) 12.655 10.086 ( -3.518 4.593 0.927) 5.859 10.327 ( -2.597 -5.290 -1.063) 5.989 10.395 ( 2.243 -1.398 7.192) 7.662 10.443 ( 4.101 -2.707 0.404) 4.931 10.926 ( 2.311 8.225 -3.811) 9.355 11.124 ( 1.844 3.893 11.946) 12.699 11.643 ( -3.561 -4.033 -6.203) 8.211 11.733 ( 1.559 -6.980 -6.185) 9.455 12.293 ( -0.935 5.994 -10.991) 12.554 12.496 ( -1.695 0.657 -15.752) 15.856 13.102 ( -8.759 23.983 19.612) 32.195 13.685 ( 15.164 1.580 30.538) 34.132 13.911 ( 15.333 11.954 28.629) 34.607 14.641 ( -15.116 10.523 -16.094) 24.459 14.832 ( 0.423 -0.653 7.999) 8.037 15.125 ( 5.072 -22.132 14.265) 26.815 15.304 ( -3.838 -7.924 -9.626) 13.045 15.491 ( -4.291 -12.451 -9.095) 16.005 15.618 ( -6.886 -4.201 3.940) 8.977 15.759 ( 6.793 -5.978 -12.553) 15.475 15.878 ( 8.496 -1.890 -5.983) 10.562 16.245 ( 13.892 -10.368 -18.611) 25.433 19.155 ( -6.567 5.994 8.872) 12.561 19.269 ( -2.506 -0.213 12.917) 13.160 19.685 ( -4.483 10.981 -2.722) 12.169 19.964 ( -3.733 -2.121 -5.150) 6.705 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 6.082 6.545 5.289) 10.382 2.257 ( 6.154 4.474 16.282) 17.972 2.344 ( 6.982 -5.610 -3.527) 9.626 2.624 ( -2.386 -3.616 -0.516) 4.363 2.823 ( -5.494 -8.290 -1.771) 10.101 2.959 ( -7.042 -11.385 -5.876) 14.620 3.341 ( -6.653 -2.225 0.402) 7.027 3.449 ( 0.349 1.840 -10.214) 10.384 3.555 ( -5.455 -1.753 -6.203) 8.444 3.575 ( -3.951 -1.928 -12.555) 13.302 3.813 ( -3.105 -2.387 -5.079) 6.413 3.973 ( -7.027 -2.015 -9.549) 12.026 5.208 ( -9.437 3.347 14.663) 17.756 5.254 ( -6.319 4.077 13.866) 15.774 5.746 ( 7.237 17.197 12.966) 22.721 5.846 ( -3.091 20.743 -2.906) 21.173 6.366 ( 12.706 2.720 7.342) 14.925 6.481 ( 8.266 -0.622 -4.794) 9.576 6.553 ( -10.221 -5.274 -9.534) 14.939 6.699 ( 2.269 -8.646 1.926) 9.144 6.874 ( 11.079 -3.286 8.849) 14.555 6.967 ( 7.000 0.560 -1.623) 7.207 7.281 ( -9.620 4.655 -4.624) 11.645 7.489 ( -0.548 1.760 -2.797) 3.349 7.642 ( 3.243 3.417 -4.215) 6.321 7.914 ( 1.104 -1.083 -0.756) 1.721 8.067 ( 3.853 -5.081 3.818) 7.432 8.251 ( 3.099 -13.847 -0.329) 14.194 8.577 ( 9.307 -0.326 2.376) 9.611 8.795 ( 9.084 -7.148 -0.494) 11.570 9.032 ( 15.678 8.191 -7.338) 19.150 9.139 ( 15.827 4.040 -8.876) 18.590 9.267 ( 0.081 11.262 15.000) 18.758 9.952 ( 8.617 -1.712 -0.588) 8.805 9.998 ( -2.572 -3.102 4.684) 6.178 10.300 ( 0.266 -8.276 -0.652) 8.306 10.481 ( 6.925 -1.169 7.192) 10.053 10.556 ( 6.873 -3.818 2.493) 8.249 10.964 ( 2.013 9.291 -7.743) 12.261 11.170 ( 2.527 7.384 10.304) 12.926 11.575 ( -2.678 -5.542 -11.176) 12.759 11.772 ( 1.791 -9.316 -4.836) 10.648 12.242 ( -4.677 6.673 -5.629) 9.904 12.445 ( -3.373 0.828 -12.792) 13.255 12.997 ( -1.407 28.680 8.982) 30.086 13.898 ( 3.335 -4.004 11.895) 12.987 14.338 ( 19.646 9.055 26.065) 33.872 14.379 ( -1.219 18.293 -6.152) 19.338 14.864 ( 2.564 -9.283 9.900) 13.812 15.186 ( -2.278 -3.450 4.713) 6.269 15.304 ( 2.662 -10.702 -2.048) 11.217 15.412 ( 1.262 -20.502 -0.916) 20.561 15.516 ( -3.526 -10.245 9.062) 14.125 15.740 ( -2.580 -17.648 4.593) 18.418 16.159 ( 12.736 6.808 -15.707) 21.337 16.513 ( 11.274 -7.778 -15.271) 20.514 18.997 ( -7.928 9.879 6.783) 14.369 19.212 ( -2.542 -0.884 8.793) 9.196 19.555 ( -8.178 11.365 -4.183) 14.613 19.854 ( -7.024 -2.493 -6.134) 9.653 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.455 11.337 2.515) 11.870 2.398 ( 1.551 -1.580 8.223) 8.516 2.486 ( 8.669 -5.397 3.405) 10.765 2.637 ( 1.315 -2.706 -5.506) 6.274 2.752 ( 1.656 -6.291 -2.721) 7.052 2.806 ( -5.673 -11.090 1.075) 12.503 3.207 ( -6.674 -5.092 0.378) 8.403 3.372 ( -5.713 -6.546 -10.543) 13.662 3.443 ( -5.053 -0.406 -3.062) 5.922 3.531 ( -1.629 -2.683 -8.454) 9.018 3.728 ( -6.528 -2.174 -3.153) 7.569 3.808 ( -8.450 -2.335 -6.245) 10.763 5.118 ( 1.648 3.591 2.599) 4.729 5.220 ( 3.255 1.296 4.425) 5.644 5.719 ( -9.015 17.493 -6.276) 20.656 5.910 ( 8.681 21.349 8.652) 24.617 6.155 ( -21.267 -3.669 -17.841) 28.001 6.521 ( -5.776 3.448 -14.310) 15.812 6.678 ( 13.914 0.765 10.225) 17.284 6.869 ( 6.812 -5.952 4.488) 10.098 6.950 ( 4.395 7.803 1.177) 9.033 7.156 ( 10.140 -2.523 6.320) 12.212 7.298 ( 6.853 -0.026 7.946) 10.493 7.446 ( -1.740 -10.456 0.425) 10.608 7.699 ( 1.110 8.642 2.737) 9.132 7.909 ( -1.838 1.848 -0.557) 2.665 8.141 ( 3.262 -5.204 4.417) 7.565 8.274 ( -0.502 -11.246 0.820) 11.287 8.789 ( 11.644 0.369 7.170) 13.679 8.952 ( 6.831 -5.538 3.547) 9.483 9.194 ( -0.622 5.502 7.179) 9.066 9.297 ( 1.897 5.029 10.218) 11.545 9.442 ( 14.268 11.354 -9.642) 20.627 9.907 ( -2.790 7.726 -5.528) 9.901 10.120 ( 4.357 -7.308 5.475) 10.118 10.296 ( -2.133 -11.649 3.311) 12.297 10.710 ( 8.221 -3.487 4.688) 10.085 10.723 ( 17.063 -4.242 -2.461) 17.753 11.024 ( 2.537 6.875 -7.525) 10.504 11.242 ( 6.175 12.395 8.403) 16.198 11.535 ( -2.295 -9.911 -16.214) 19.141 11.792 ( 0.757 -7.462 -5.035) 9.033 12.097 ( -9.245 5.941 -0.358) 10.995 12.348 ( -6.649 -1.366 -9.578) 11.739 13.052 ( 6.653 33.438 -0.273) 34.095 13.752 ( -13.138 17.865 -13.657) 26.043 14.489 ( 12.612 2.138 12.031) 17.561 14.788 ( 16.695 -6.631 16.194) 24.185 14.932 ( 4.193 -16.292 7.866) 18.571 15.089 ( -5.858 0.877 5.432) 8.037 15.300 ( -0.908 -9.202 -3.204) 9.786 15.451 ( -4.232 -17.382 2.680) 18.090 15.558 ( 9.407 -11.728 11.041) 18.653 15.811 ( 12.983 -13.976 15.595) 24.639 16.308 ( 1.093 6.256 -4.897) 8.019 16.643 ( 0.527 -7.515 -5.303) 9.213 18.885 ( -2.162 13.730 0.717) 13.918 19.188 ( 0.085 0.575 0.414) 0.714 19.371 ( -9.231 10.013 -4.510) 14.346 19.687 ( -9.378 -2.965 -6.971) 12.055 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.143 8.489 0.623) 9.467 2.353 ( -4.556 2.978 0.804) 5.502 2.588 ( 1.139 -7.679 4.219) 8.835 2.603 ( -1.592 -5.890 2.271) 6.510 2.821 ( 6.331 -5.934 2.902) 9.150 2.891 ( 4.680 -1.700 -7.913) 9.349 3.094 ( -1.460 -8.745 -0.207) 8.868 3.222 ( -9.333 -8.219 -7.248) 14.395 3.416 ( 3.114 0.648 -3.301) 4.584 3.506 ( -2.147 -0.428 -3.581) 4.197 3.585 ( -4.096 -6.242 -1.657) 7.648 3.648 ( -7.054 -7.009 -1.215) 10.018 5.258 ( 10.907 4.879 -7.221) 13.961 5.385 ( 12.937 0.335 -6.784) 14.612 5.500 ( -12.101 10.289 -9.042) 18.277 5.726 ( -20.063 -1.615 -15.155) 25.195 6.099 ( 10.109 21.511 1.415) 23.810 6.320 ( -11.621 16.746 -8.369) 22.034 6.898 ( 6.744 -3.690 7.679) 10.865 6.944 ( 2.052 -6.588 4.668) 8.330 7.124 ( 8.373 5.640 5.217) 11.364 7.242 ( -2.046 0.703 5.599) 6.002 7.409 ( 4.152 -6.290 6.442) 9.914 7.461 ( 0.753 -10.810 6.507) 12.639 7.720 ( 3.254 10.537 3.060) 11.445 7.831 ( -5.750 6.064 0.466) 8.370 8.200 ( 2.667 -6.847 3.690) 8.223 8.247 ( -1.954 -9.364 2.462) 9.878 9.017 ( 9.761 0.889 9.131) 13.395 9.075 ( 5.700 -2.257 7.984) 10.067 9.145 ( -3.108 2.762 8.664) 9.610 9.237 ( -6.937 -0.479 10.895) 12.925 9.693 ( 10.221 12.724 -7.650) 18.024 9.844 ( -4.711 10.383 -6.928) 13.341 10.177 ( 2.145 -6.668 5.611) 8.975 10.230 ( -3.355 -8.716 5.084) 10.634 10.868 ( 7.389 -0.161 2.949) 7.957 10.991 ( -3.522 3.434 -1.372) 5.107 11.104 ( 16.647 -8.784 -10.072) 21.348 11.378 ( -6.035 -3.612 -8.488) 11.023 11.492 ( 9.392 3.566 -2.745) 10.414 11.751 ( -10.085 9.976 0.228) 14.188 11.992 ( 4.589 -7.346 -4.830) 9.918 12.174 ( -10.193 -4.917 -7.305) 13.470 13.239 ( 11.184 34.846 -7.515) 37.361 13.483 ( -12.889 30.264 -13.139) 35.421 14.736 ( 10.703 0.697 10.644) 15.111 14.903 ( -5.179 -7.698 5.845) 10.966 15.027 ( 3.996 -20.972 5.610) 22.074 15.043 ( 2.388 -20.123 4.195) 20.694 15.272 ( -0.686 -11.453 1.225) 11.539 15.331 ( -6.174 -18.625 0.254) 19.623 15.858 ( 18.489 1.637 15.688) 24.303 16.157 ( 10.178 -2.930 14.148) 17.673 16.203 ( -2.984 -0.027 9.143) 9.617 16.514 ( -12.893 -7.374 7.193) 16.502 18.929 ( 6.309 15.352 -6.311) 17.757 19.102 ( -9.385 14.305 -9.345) 19.495 19.323 ( 5.660 -2.983 -2.406) 6.836 19.490 ( -9.736 -3.397 -6.336) 12.103 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 -7.335 3.860) 8.289 2.005 ( 0.000 7.335 3.860) 8.289 2.502 ( 0.000 -12.977 9.385) 16.015 2.502 ( 0.000 12.977 9.385) 16.015 2.901 ( 0.000 -3.006 -10.221) 10.654 2.901 ( 0.000 3.006 -10.221) 10.654 3.502 ( 0.000 -5.317 -12.530) 13.611 3.502 ( 0.000 5.317 -12.530) 13.611 3.781 ( 0.000 -3.033 -6.369) 7.055 3.781 ( 0.000 3.033 -6.369) 7.055 3.860 ( 0.000 -0.760 -7.250) 7.290 3.860 ( 0.000 0.760 -7.250) 7.290 5.673 ( 0.000 -4.433 17.746) 18.291 5.673 ( 0.000 4.433 17.746) 18.291 5.887 ( 0.000 -20.328 27.619) 34.293 5.887 ( 0.000 20.328 27.619) 34.293 6.000 ( 0.000 -1.677 -1.598) 2.316 6.000 ( 0.000 1.677 -1.598) 2.316 6.569 ( 0.000 -3.762 1.026) 3.900 6.569 ( 0.000 3.762 1.026) 3.900 6.805 ( 0.000 -9.407 -2.586) 9.755 6.805 ( 0.000 9.407 -2.586) 9.755 7.600 ( 0.000 -14.818 -1.205) 14.867 7.600 ( 0.000 14.818 -1.205) 14.867 7.771 ( 0.000 -9.099 -16.790) 19.097 7.771 ( 0.000 9.099 -16.790) 19.097 7.956 ( 0.000 -3.368 -4.516) 5.634 7.956 ( 0.000 3.368 -4.516) 5.634 8.238 ( 0.000 -2.970 -8.224) 8.744 8.238 ( 0.000 2.970 -8.224) 8.744 8.711 ( 0.000 -2.158 -5.320) 5.742 8.711 ( 0.000 2.158 -5.320) 5.742 9.507 ( 0.000 -9.319 15.723) 18.277 9.507 ( 0.000 9.319 15.723) 18.277 10.245 ( 0.000 -5.725 -1.982) 6.058 10.245 ( 0.000 5.725 -1.982) 6.058 10.355 ( 0.000 -0.812 4.830) 4.898 10.355 ( 0.000 0.812 4.830) 4.898 11.074 ( 0.000 -6.208 0.345) 6.217 11.074 ( 0.000 6.208 0.345) 6.217 11.642 ( 0.000 -0.717 -2.083) 2.202 11.642 ( 0.000 0.717 -2.083) 2.202 12.431 ( 0.000 -5.778 -15.356) 16.407 12.431 ( 0.000 5.778 -15.356) 16.407 13.537 ( 0.000 -3.666 31.352) 31.566 13.537 ( 0.000 3.666 31.352) 31.566 14.282 ( 0.000 -37.456 16.371) 40.878 14.282 ( 0.000 37.456 16.371) 40.878 14.856 ( 0.000 -4.792 6.068) 7.732 14.856 ( 0.000 4.792 6.068) 7.732 15.470 ( 0.000 -3.202 -16.474) 16.782 15.470 ( 0.000 3.202 -16.474) 16.782 15.677 ( 0.000 -9.671 -19.027) 21.344 15.677 ( 0.000 9.671 -19.027) 21.344 15.755 ( 0.000 -4.901 -2.846) 5.667 15.755 ( 0.000 4.901 -2.846) 5.667 19.286 ( 0.000 -1.391 12.302) 12.380 19.286 ( 0.000 1.391 12.302) 12.380 19.916 ( 0.000 -6.228 -3.754) 7.272 19.916 ( 0.000 6.228 -3.754) 7.272 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 5.703 -6.769 3.457) 9.502 2.065 ( 5.703 6.769 3.457) 9.502 2.493 ( -0.862 -12.122 9.096) 15.180 2.493 ( -0.862 12.122 9.096) 15.180 2.870 ( -3.197 -3.980 -9.589) 10.863 2.870 ( -3.197 3.980 -9.589) 10.863 3.507 ( 0.238 -4.676 -11.732) 12.632 3.507 ( 0.238 4.676 -11.732) 12.632 3.629 ( -10.405 -8.099 -5.603) 14.327 3.629 ( -10.405 8.099 -5.603) 14.327 3.915 ( 1.447 -7.941 -8.323) 11.595 3.915 ( 1.447 7.941 -8.323) 11.595 5.501 ( -12.626 -1.195 19.577) 23.326 5.501 ( -12.626 1.195 19.577) 23.326 6.004 ( 6.814 -18.639 11.959) 23.170 6.004 ( 6.814 18.639 11.959) 23.170 6.098 ( 10.705 -3.543 9.438) 14.705 6.098 ( 10.705 3.543 9.438) 14.705 6.628 ( 0.275 -4.744 -5.334) 7.144 6.628 ( 0.275 4.744 -5.334) 7.144 6.751 ( 0.330 -3.970 2.605) 4.759 6.751 ( 0.330 3.970 2.605) 4.759 7.607 ( -5.997 -4.813 -16.604) 18.299 7.607 ( -5.997 4.813 -16.604) 18.299 7.737 ( 3.086 -14.322 0.964) 14.682 7.737 ( 3.086 14.322 0.964) 14.682 7.936 ( 1.231 -1.455 -2.900) 3.470 7.936 ( 1.231 1.455 -2.900) 3.470 8.432 ( 12.768 -4.971 -4.001) 14.274 8.432 ( 12.768 4.971 -4.001) 14.274 8.825 ( 11.999 -0.785 -8.893) 14.956 8.825 ( 11.999 0.785 -8.893) 14.956 9.540 ( 3.038 -11.759 15.900) 20.008 9.540 ( 3.038 11.759 15.900) 20.008 10.204 ( -3.508 -5.796 -1.306) 6.900 10.204 ( -3.508 5.796 -1.306) 6.900 10.388 ( 3.216 -1.413 4.279) 5.536 10.388 ( 3.216 1.413 4.279) 5.536 11.110 ( 3.087 -6.381 -2.163) 7.411 11.110 ( 3.087 6.381 -2.163) 7.411 11.618 ( -2.019 -3.025 -1.613) 3.978 11.618 ( -2.019 3.025 -1.613) 3.978 12.425 ( -0.851 -5.616 -13.830) 14.951 12.425 ( -0.851 5.616 -13.830) 14.951 13.550 ( 1.500 -13.971 25.495) 29.111 13.550 ( 1.500 13.971 25.495) 29.111 14.388 ( 9.680 -30.176 19.287) 37.098 14.388 ( 9.680 30.176 19.287) 37.098 14.850 ( -0.456 -3.582 2.155) 4.205 14.850 ( -0.456 3.582 2.155) 4.205 15.281 ( -11.538 -7.623 -15.523) 20.789 15.281 ( -11.538 7.623 -15.523) 20.789 15.606 ( -3.811 -3.251 4.006) 6.414 15.606 ( -3.811 3.251 4.006) 6.414 16.027 ( 16.813 -9.533 -19.508) 27.461 16.027 ( 16.813 9.533 -19.508) 27.461 19.244 ( -3.870 -2.411 11.519) 12.388 19.244 ( -3.870 2.411 11.519) 12.388 19.875 ( -4.075 -6.413 -4.306) 8.734 19.875 ( -4.075 6.413 -4.306) 8.734 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 8.537 -4.504 3.347) 10.216 2.216 ( 8.537 4.504 3.347) 10.216 2.480 ( 0.254 -10.124 7.020) 12.323 2.480 ( 0.254 10.124 7.020) 12.323 2.769 ( -6.494 -4.334 -6.951) 10.454 2.769 ( -6.494 4.334 -6.951) 10.454 3.404 ( -10.214 -6.698 -5.217) 13.282 3.404 ( -10.214 6.698 -5.217) 13.282 3.508 ( -1.568 -1.897 -9.485) 9.799 3.508 ( -1.568 1.897 -9.485) 9.799 3.893 ( -3.807 -5.403 -8.720) 10.942 3.893 ( -3.807 5.403 -8.720) 10.942 5.265 ( -8.996 -1.715 14.316) 16.994 5.265 ( -8.996 1.715 14.316) 16.994 6.127 ( 4.693 -6.522 2.649) 8.460 6.127 ( 4.693 6.522 2.649) 8.460 6.360 ( 7.529 -1.425 9.399) 12.126 6.360 ( 7.529 1.425 9.399) 12.126 6.488 ( -2.420 -2.194 -4.456) 5.525 6.488 ( -2.420 2.194 -4.456) 5.525 6.936 ( 12.595 -4.041 3.130) 13.593 6.936 ( 12.595 4.041 3.130) 13.593 7.407 ( -10.846 -6.949 -11.968) 17.583 7.407 ( -10.846 6.949 -11.968) 17.583 7.847 ( 5.087 -9.932 3.609) 11.728 7.847 ( 5.087 9.932 3.609) 11.728 8.005 ( 4.342 -3.465 0.187) 5.558 8.005 ( 4.342 3.465 0.187) 5.558 8.646 ( 9.366 -5.938 2.282) 11.322 8.646 ( 9.366 5.938 2.282) 11.322 9.140 ( 15.067 -2.860 -7.829) 17.219 9.140 ( 15.067 2.860 -7.829) 17.219 9.627 ( 6.062 -18.226 11.745) 22.514 9.627 ( 6.062 18.226 11.745) 22.514 10.135 ( -2.728 -7.069 -1.124) 7.660 10.135 ( -2.728 7.069 -1.124) 7.660 10.486 ( 6.728 -1.894 4.172) 8.140 10.486 ( 6.728 1.894 4.172) 8.140 11.179 ( 3.638 -8.274 -8.277) 12.256 11.179 ( 3.638 8.274 -8.277) 12.256 11.577 ( -1.830 -7.456 -0.046) 7.677 11.577 ( -1.830 7.456 -0.046) 7.677 12.383 ( -3.737 -5.556 -9.656) 11.750 12.383 ( -3.737 5.556 -9.656) 11.750 13.611 ( 5.043 -23.599 13.754) 27.776 13.611 ( 5.043 23.599 13.754) 27.776 14.578 ( 4.893 -13.841 13.527) 19.962 14.578 ( 4.893 13.841 13.527) 19.962 14.849 ( 1.083 -24.277 -3.162) 24.506 14.849 ( 1.083 24.277 -3.162) 24.506 15.150 ( 0.991 -2.483 0.839) 2.802 15.150 ( 0.991 2.483 0.839) 2.802 15.520 ( -3.885 -4.971 8.604) 10.669 15.520 ( -3.885 4.971 8.604) 10.669 16.331 ( 12.160 -8.622 -15.867) 21.771 16.331 ( 12.160 8.622 -15.867) 21.771 19.154 ( -4.235 -4.760 8.406) 10.548 19.154 ( -4.235 4.760 8.406) 10.548 19.756 ( -7.598 -6.912 -5.687) 11.741 19.756 ( -7.598 6.912 -5.687) 11.741 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 4.547 -3.979 6.383) 8.789 2.358 ( 4.547 3.979 6.383) 8.789 2.519 ( 1.017 -9.183 0.776) 9.271 2.519 ( 1.017 9.183 0.776) 9.271 2.668 ( 0.507 -1.613 -2.688) 3.176 2.668 ( 0.507 1.613 -2.688) 3.176 3.217 ( -8.470 -5.530 -5.280) 11.410 3.217 ( -8.470 5.530 -5.280) 11.410 3.458 ( -2.843 -2.367 -6.142) 7.170 3.458 ( -2.843 2.367 -6.142) 7.170 3.762 ( -8.813 -2.715 -6.237) 11.133 3.762 ( -8.813 2.715 -6.237) 11.133 5.192 ( 2.270 -2.923 3.061) 4.803 5.192 ( 2.270 2.923 3.061) 4.803 6.012 ( -15.945 -9.626 -12.613) 22.494 6.012 ( -15.945 9.626 -12.613) 22.494 6.385 ( 6.999 -18.710 4.209) 20.415 6.385 ( 6.999 18.710 4.209) 20.415 6.706 ( 9.795 -4.290 6.349) 12.436 6.706 ( 9.795 4.290 6.349) 12.436 7.158 ( 6.416 -6.127 -0.425) 8.882 7.158 ( 6.416 6.127 -0.425) 8.882 7.248 ( -1.241 -1.683 2.875) 3.555 7.248 ( -1.241 1.683 2.875) 3.555 7.925 ( 2.851 -7.362 3.328) 8.567 7.925 ( 2.851 7.362 3.328) 8.567 8.061 ( 0.613 -2.602 1.323) 2.983 8.061 ( 0.613 2.602 1.323) 2.983 8.840 ( 9.942 -4.203 6.639) 12.672 8.840 ( 9.942 4.203 6.639) 12.672 9.291 ( -0.072 -3.184 7.357) 8.017 9.291 ( -0.072 3.184 7.357) 8.017 9.798 ( 9.620 -16.940 -2.141) 19.598 9.798 ( 9.620 16.940 -2.141) 19.598 10.100 ( -1.230 -6.379 -0.067) 6.497 10.100 ( -1.230 6.379 -0.067) 6.497 10.668 ( 11.376 -0.381 1.532) 11.485 10.668 ( 11.376 0.381 1.532) 11.485 11.240 ( 0.861 -11.903 -14.314) 18.636 11.240 ( 0.861 11.903 -14.314) 18.636 11.567 ( 2.520 -12.392 2.743) 12.940 11.567 ( 2.520 12.392 2.743) 12.940 12.257 ( -9.082 -6.779 -4.788) 12.303 12.257 ( -9.082 6.779 -4.788) 12.303 13.768 ( 10.625 -26.249 2.967) 28.473 13.768 ( 10.625 26.249 2.967) 28.473 14.514 ( -8.708 -11.732 -6.745) 16.092 14.514 ( -8.708 11.732 -6.745) 16.092 14.902 ( 3.642 -11.074 8.849) 14.636 14.902 ( 3.642 11.074 8.849) 14.636 15.220 ( -1.340 -4.643 4.031) 6.292 15.220 ( -1.340 4.643 4.031) 6.292 15.587 ( 14.912 -7.258 17.924) 24.420 15.587 ( 14.912 7.258 17.924) 24.420 16.470 ( 0.676 -8.211 -5.313) 9.803 16.470 ( 0.676 8.211 -5.313) 9.803 19.109 ( 0.470 -7.057 2.219) 7.412 19.109 ( 0.470 7.057 2.219) 7.412 19.576 ( -10.012 -7.556 -7.121) 14.424 19.576 ( -10.012 7.556 -7.121) 14.424 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 2.039 -4.979 5.987) 8.049 2.416 ( 2.039 4.979 5.987) 8.049 2.465 ( -3.233 -5.111 2.895) 6.705 2.465 ( -3.233 5.111 2.895) 6.705 2.828 ( 11.097 -5.083 -4.234) 12.919 2.828 ( 11.097 5.083 -4.234) 12.919 3.041 ( -9.564 -5.939 -5.198) 12.400 3.041 ( -9.564 5.939 -5.198) 12.400 3.444 ( 2.679 -2.417 -3.420) 4.972 3.444 ( 2.679 2.417 -3.420) 4.972 3.571 ( -9.063 -1.695 -3.209) 9.762 3.571 ( -9.063 1.695 -3.209) 9.762 5.346 ( 12.364 -3.258 -7.916) 15.038 5.346 ( 12.364 3.258 -7.916) 15.038 5.657 ( -17.589 -4.901 -13.610) 22.773 5.657 ( -17.589 4.901 -13.610) 22.773 6.561 ( 9.342 -16.230 3.288) 19.013 6.561 ( 9.342 16.230 3.288) 19.013 6.729 ( -6.079 -11.472 1.154) 13.034 6.729 ( -6.079 11.472 1.154) 13.034 7.246 ( 5.850 -4.693 6.851) 10.158 7.246 ( 5.850 4.693 6.851) 10.158 7.311 ( 0.878 -3.614 6.136) 7.175 7.311 ( 0.878 3.614 6.136) 7.175 7.976 ( 2.701 -6.627 2.853) 7.704 7.976 ( 2.701 6.627 2.853) 7.704 8.035 ( -2.678 -2.776 2.044) 4.365 8.035 ( -2.678 2.776 2.044) 4.365 9.038 ( 9.404 -1.175 9.754) 13.600 9.038 ( 9.404 1.175 9.754) 13.600 9.207 ( -7.019 -2.393 11.211) 13.442 9.207 ( -7.019 2.393 11.211) 13.442 9.960 ( 6.314 -9.540 -2.906) 11.803 9.960 ( 6.314 9.540 -2.906) 11.803 10.057 ( -3.401 -5.612 -0.316) 6.569 10.057 ( -3.401 5.612 -0.316) 6.569 10.923 ( 12.968 -5.785 -4.775) 14.981 10.923 ( 12.968 5.785 -4.775) 14.981 11.153 ( -9.005 -10.425 -10.876) 17.552 11.153 ( -9.005 10.425 -10.876) 17.552 11.734 ( 13.045 -11.476 0.385) 17.379 11.734 ( 13.045 11.476 0.385) 17.379 12.020 ( -13.950 -8.920 -1.760) 16.651 12.020 ( -13.950 8.920 -1.760) 16.651 14.021 ( 13.769 -23.871 -3.862) 27.827 14.021 ( 13.769 23.871 -3.862) 27.827 14.293 ( -12.646 -19.522 -7.414) 24.413 14.293 ( -12.646 19.522 -7.414) 24.413 14.994 ( 5.516 -8.191 8.215) 12.845 14.994 ( 5.516 8.191 8.215) 12.845 15.118 ( -6.490 -6.183 5.713) 10.629 15.118 ( -6.490 6.183 5.713) 10.629 15.989 ( 20.977 -8.150 16.238) 27.752 15.989 ( 20.977 8.150 16.238) 27.752 16.344 ( -12.884 -8.054 7.294) 16.854 16.344 ( -12.884 8.054 7.294) 16.854 19.186 ( 6.983 -8.149 -4.268) 11.549 19.186 ( 6.983 8.149 -4.268) 11.549 19.367 ( -10.313 -8.100 -7.272) 14.995 19.367 ( -10.313 8.100 -7.272) 14.995 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 0.000 0.000 14.479) 14.479 2.412 ( 0.000 0.000 -12.900) 12.900 2.512 ( 0.000 0.000 19.969) 19.969 2.517 ( 0.000 0.000 13.574) 13.574 2.839 ( 0.000 0.000 -11.703) 11.703 2.898 ( 0.000 0.000 -20.952) 20.952 3.538 ( 0.000 0.000 2.076) 2.076 3.565 ( 0.000 0.000 0.056) 0.056 3.600 ( 0.000 0.000 2.896) 2.896 3.731 ( 0.000 0.000 -8.933) 8.933 4.063 ( 0.000 0.000 10.950) 10.950 4.253 ( 0.000 0.000 -8.299) 8.299 5.076 ( 0.000 0.000 1.541) 1.541 5.119 ( 0.000 0.000 -2.690) 2.690 5.855 ( 0.000 0.000 12.313) 12.313 5.981 ( 0.000 0.000 31.952) 31.952 6.055 ( 0.000 0.000 -6.333) 6.333 6.175 ( 0.000 0.000 10.625) 10.625 6.407 ( 0.000 0.000 -2.342) 2.342 6.814 ( 0.000 0.000 -37.324) 37.324 6.979 ( 0.000 0.000 6.088) 6.088 7.098 ( 0.000 0.000 -6.544) 6.544 7.254 ( 0.000 0.000 19.604) 19.604 7.257 ( 0.000 0.000 4.958) 4.958 7.464 ( 0.000 0.000 -14.288) 14.288 7.619 ( 0.000 0.000 -15.557) 15.557 7.966 ( 0.000 0.000 0.732) 0.732 7.986 ( 0.000 0.000 -1.573) 1.573 8.663 ( 0.000 0.000 7.933) 7.933 8.674 ( 0.000 0.000 -0.206) 0.206 8.684 ( 0.000 0.000 -1.326) 1.326 8.859 ( 0.000 0.000 -10.998) 10.998 9.021 ( 0.000 0.000 16.729) 16.729 9.366 ( 0.000 0.000 -16.652) 16.652 10.189 ( 0.000 0.000 9.025) 9.025 10.300 ( 0.000 0.000 2.068) 2.068 10.342 ( 0.000 0.000 -1.997) 1.997 10.381 ( 0.000 0.000 -9.407) 9.407 11.208 ( 0.000 0.000 19.845) 19.845 11.455 ( 0.000 0.000 21.827) 21.827 11.586 ( 0.000 0.000 -17.640) 17.640 11.877 ( 0.000 0.000 3.444) 3.444 11.880 ( 0.000 0.000 -18.367) 18.367 11.990 ( 0.000 0.000 -7.475) 7.475 13.219 ( 0.000 0.000 26.270) 26.270 13.809 ( 0.000 0.000 -16.869) 16.869 14.029 ( 0.000 0.000 23.408) 23.408 14.303 ( 0.000 0.000 31.672) 31.672 14.767 ( 0.000 0.000 -34.664) 34.664 14.915 ( 0.000 0.000 -27.211) 27.211 15.244 ( 0.000 0.000 16.852) 16.852 15.533 ( 0.000 0.000 -11.160) 11.160 15.800 ( 0.000 0.000 10.488) 10.488 15.996 ( 0.000 0.000 -8.026) 8.026 16.403 ( 0.000 0.000 5.519) 5.519 16.512 ( 0.000 0.000 -5.154) 5.154 19.127 ( 0.000 0.000 4.903) 4.903 19.225 ( 0.000 0.000 -4.608) 4.608 19.658 ( 0.000 0.000 13.284) 13.284 19.878 ( 0.000 0.000 -8.606) 8.606 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.528 0.000 12.437) 12.448 2.307 ( -3.976 0.000 -3.498) 5.296 2.577 ( 6.252 0.000 18.991) 19.994 2.687 ( 9.667 0.000 3.592) 10.313 2.889 ( 4.840 0.000 -11.093) 12.103 2.956 ( 5.017 0.000 -19.590) 20.222 3.450 ( -8.095 0.000 1.469) 8.228 3.460 ( -8.243 0.000 0.815) 8.283 3.565 ( -3.498 0.000 2.295) 4.183 3.685 ( -4.530 0.000 -8.481) 9.615 4.053 ( -0.766 0.000 8.998) 9.031 4.207 ( -4.052 0.000 -6.766) 7.886 5.048 ( -2.697 0.000 1.905) 3.302 5.096 ( -2.273 0.000 -2.852) 3.647 5.807 ( -12.433 0.000 29.868) 32.352 5.869 ( 0.163 0.000 14.770) 14.771 6.134 ( 6.308 0.000 -9.819) 11.671 6.243 ( 0.529 0.000 -2.116) 2.181 6.404 ( 1.652 0.000 2.425) 2.934 6.689 ( -7.650 0.000 -23.067) 24.302 7.006 ( 2.743 0.000 5.623) 6.256 7.154 ( -5.915 0.000 11.541) 12.968 7.215 ( 7.366 0.000 -15.396) 17.068 7.345 ( -16.050 0.000 -7.495) 17.714 7.392 ( 13.531 0.000 12.176) 18.203 7.672 ( 16.063 0.000 -14.164) 21.416 8.112 ( 9.764 0.000 4.857) 10.905 8.226 ( 14.322 0.000 -6.141) 15.583 8.698 ( 4.030 0.000 9.261) 10.100 8.703 ( 3.450 0.000 1.767) 3.876 8.754 ( 5.820 0.000 -3.087) 6.588 8.910 ( 5.183 0.000 -11.189) 12.331 9.023 ( 1.136 0.000 14.852) 14.896 9.351 ( -1.425 0.000 -16.477) 16.539 10.231 ( 4.270 0.000 7.723) 8.825 10.373 ( 7.379 0.000 2.445) 7.773 10.389 ( 0.919 0.000 -7.081) 7.141 10.420 ( 7.708 0.000 -1.915) 7.943 11.201 ( -1.296 0.000 19.219) 19.263 11.424 ( -2.914 0.000 20.867) 21.070 11.591 ( 0.084 0.000 -19.053) 19.053 11.825 ( -5.156 0.000 -16.428) 17.218 11.912 ( 3.281 0.000 3.027) 4.464 12.005 ( 1.688 0.000 -6.038) 6.269 12.988 ( -17.365 0.000 24.497) 30.027 13.590 ( -19.992 0.000 -32.540) 38.191 14.286 ( 23.110 0.000 38.317) 44.747 14.397 ( 8.635 0.000 29.700) 30.930 14.948 ( 2.959 0.000 -22.530) 22.723 15.030 ( 20.611 0.000 -33.598) 39.417 15.281 ( 3.385 0.000 14.288) 14.683 15.523 ( -0.950 0.000 -8.226) 8.281 15.816 ( 1.890 0.000 11.454) 11.609 16.053 ( 6.053 0.000 -11.804) 13.266 16.418 ( 1.480 0.000 5.192) 5.399 16.519 ( 0.734 0.000 -4.741) 4.798 19.022 ( -10.032 0.000 6.210) 11.798 19.145 ( -7.741 0.000 -5.759) 9.649 19.621 ( -3.480 0.000 12.889) 13.350 19.840 ( -3.787 0.000 -8.689) 9.479 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -4.381 0.000 10.929) 11.774 2.282 ( -0.455 0.000 -7.585) 7.598 2.749 ( 10.213 0.000 16.471) 19.381 2.805 ( 1.181 0.000 4.784) 4.927 3.019 ( -1.556 0.000 -15.394) 15.472 3.022 ( 7.948 0.000 -9.378) 12.292 3.281 ( -5.282 0.000 1.919) 5.620 3.339 ( -3.024 0.000 -2.753) 4.090 3.464 ( -6.260 0.000 0.982) 6.336 3.558 ( -7.669 0.000 -7.177) 10.503 4.061 ( 2.549 0.000 5.098) 5.700 4.133 ( -1.726 0.000 -2.717) 3.219 4.974 ( -4.385 0.000 2.289) 4.946 5.029 ( -4.275 0.000 -3.084) 5.271 5.539 ( -14.038 0.000 26.844) 30.293 5.812 ( -5.795 0.000 16.398) 17.392 6.092 ( -14.495 0.000 -24.702) 28.641 6.184 ( -4.507 0.000 -19.091) 19.616 6.516 ( 8.507 0.000 7.969) 11.657 6.644 ( 4.028 0.000 -5.476) 6.798 7.076 ( 3.727 0.000 7.888) 8.724 7.094 ( 1.341 0.000 8.765) 8.867 7.212 ( 4.138 0.000 -1.855) 4.535 7.338 ( 4.256 0.000 -15.988) 16.545 7.700 ( 14.447 0.000 14.203) 20.259 7.960 ( 10.479 0.000 -10.017) 14.497 8.261 ( 4.512 0.000 7.449) 8.709 8.414 ( 3.977 0.000 -7.214) 8.237 8.814 ( 7.649 0.000 4.948) 9.110 8.848 ( 10.479 0.000 10.317) 14.706 8.898 ( 8.212 0.000 -1.256) 8.307 9.053 ( 8.123 0.000 -9.630) 12.599 9.107 ( 7.337 0.000 4.309) 8.509 9.316 ( -1.878 0.000 -13.266) 13.399 10.346 ( 5.863 0.000 4.640) 7.477 10.440 ( 5.287 0.000 -4.131) 6.710 10.597 ( 14.545 0.000 3.050) 14.861 10.644 ( 13.959 0.000 -0.884) 13.987 11.141 ( -4.410 0.000 19.705) 20.192 11.351 ( -3.821 0.000 17.964) 18.366 11.573 ( -2.160 0.000 -22.283) 22.388 11.696 ( -6.810 0.000 -12.668) 14.383 11.991 ( 3.817 0.000 2.129) 4.370 12.057 ( 3.136 0.000 -3.780) 4.911 12.625 ( -18.159 0.000 18.342) 25.810 13.142 ( -23.189 0.000 -29.734) 37.707 14.606 ( 10.835 0.000 24.133) 26.453 14.808 ( 27.017 0.000 34.171) 43.561 15.018 ( 3.439 0.000 -15.313) 15.694 15.360 ( 3.720 0.000 10.990) 11.602 15.455 ( 19.747 0.000 -28.600) 34.755 15.503 ( -0.752 0.000 -3.059) 3.150 15.904 ( 8.017 0.000 15.632) 17.568 16.253 ( 13.604 0.000 -18.226) 22.743 16.462 ( 2.908 0.000 4.238) 5.139 16.542 ( 1.541 0.000 -3.601) 3.917 18.748 ( -16.416 0.000 8.577) 18.521 18.925 ( -13.748 0.000 -8.552) 16.191 19.526 ( -5.603 0.000 11.356) 12.663 19.731 ( -6.843 0.000 -8.682) 11.054 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -3.846 0.000 8.293) 9.141 2.222 ( -5.914 0.000 -11.710) 13.118 2.778 ( -1.766 0.000 4.700) 5.021 2.920 ( -5.750 0.000 -7.544) 9.486 2.958 ( 9.693 0.000 13.002) 16.218 3.185 ( 7.526 0.000 -7.214) 10.425 3.236 ( -0.652 0.000 1.159) 1.329 3.310 ( -1.455 0.000 -5.284) 5.481 3.326 ( -7.070 0.000 0.525) 7.089 3.404 ( -6.523 0.000 -5.420) 8.481 4.141 ( 5.417 0.000 4.591) 7.100 4.221 ( 9.932 0.000 -1.852) 10.103 4.888 ( -3.787 0.000 1.421) 4.045 4.935 ( -4.659 0.000 -3.046) 5.566 5.254 ( -13.396 0.000 19.572) 23.718 5.683 ( -5.572 0.000 10.804) 12.156 5.728 ( -20.375 0.000 -25.103) 32.331 5.975 ( -13.217 0.000 -17.642) 22.044 6.719 ( 11.199 0.000 7.211) 13.320 6.810 ( 11.096 0.000 -1.889) 11.256 7.130 ( 0.998 0.000 8.510) 8.568 7.239 ( 10.354 0.000 10.056) 14.434 7.364 ( -1.935 0.000 -12.109) 12.263 7.366 ( 8.290 0.000 -1.950) 8.516 7.922 ( 7.657 0.000 10.046) 12.632 8.082 ( 2.438 0.000 -4.734) 5.325 8.311 ( 1.163 0.000 6.365) 6.470 8.428 ( -1.520 0.000 -4.719) 4.958 8.990 ( 8.287 0.000 8.208) 11.664 9.064 ( 9.795 0.000 7.553) 12.369 9.079 ( 10.106 0.000 0.659) 10.127 9.199 ( 5.651 0.000 -5.556) 7.925 9.257 ( 1.081 0.000 -3.600) 3.759 9.293 ( 4.228 0.000 -8.384) 9.390 10.443 ( 4.649 0.000 7.235) 8.600 10.595 ( 7.608 0.000 -7.978) 11.024 10.919 ( 14.110 0.000 5.472) 15.134 10.943 ( 15.414 0.000 1.294) 15.468 11.058 ( -2.146 0.000 19.586) 19.703 11.298 ( -0.305 0.000 14.151) 14.155 11.497 ( -5.608 0.000 -22.553) 23.240 11.608 ( 0.328 0.000 -12.148) 12.152 12.047 ( 1.996 0.000 1.104) 2.281 12.112 ( 1.709 0.000 -4.189) 4.524 12.258 ( -18.424 0.000 12.063) 22.022 12.676 ( -22.950 0.000 -25.588) 34.372 14.799 ( 8.123 0.000 17.561) 19.349 15.060 ( 0.313 0.000 -7.174) 7.181 15.325 ( 23.196 0.000 25.008) 34.109 15.411 ( 1.595 0.000 6.279) 6.479 15.494 ( -0.424 0.000 -1.659) 1.712 15.770 ( 10.535 0.000 -18.111) 20.952 16.173 ( 18.283 0.000 20.052) 27.136 16.532 ( 3.845 0.000 2.868) 4.796 16.562 ( 15.286 0.000 -17.151) 22.975 16.582 ( 2.309 0.000 -1.951) 3.022 18.402 ( -16.519 0.000 8.376) 18.522 18.612 ( -16.753 0.000 -11.355) 20.239 19.417 ( -4.633 0.000 7.734) 9.015 19.577 ( -8.027 0.000 -7.723) 11.139 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 1.365 0.000 0.993) 1.688 2.078 ( -6.994 0.000 -7.638) 10.356 2.775 ( 1.370 0.000 0.772) 1.573 2.825 ( -3.573 0.000 -3.412) 4.941 3.105 ( 4.766 0.000 7.033) 8.496 3.194 ( -5.230 0.000 0.349) 5.242 3.238 ( 0.867 0.000 0.121) 0.875 3.270 ( -2.161 0.000 -2.847) 3.574 3.301 ( 3.173 0.000 -2.467) 4.019 3.330 ( -1.102 0.000 -3.380) 3.555 4.296 ( 8.838 0.000 8.892) 12.538 4.391 ( 2.792 0.000 2.622) 3.830 4.837 ( -0.932 0.000 -0.627) 1.123 4.856 ( -2.775 0.000 -2.355) 3.640 5.090 ( 0.873 0.000 1.184) 1.471 5.320 ( -18.582 0.000 -18.215) 26.020 5.632 ( 1.176 0.000 1.353) 1.792 5.738 ( -9.162 0.000 -8.993) 12.838 6.939 ( 9.774 0.000 7.130) 12.098 7.037 ( 8.361 0.000 0.161) 8.362 7.107 ( -1.275 0.000 4.282) 4.468 7.261 ( -8.047 0.000 -7.043) 10.693 7.422 ( 6.618 0.000 6.619) 9.360 7.475 ( 1.673 0.000 1.672) 2.365 8.032 ( 3.867 0.000 4.225) 5.728 8.087 ( -1.516 0.000 -0.770) 1.701 8.334 ( 1.595 0.000 2.868) 3.281 8.380 ( -2.731 0.000 -1.432) 3.084 9.118 ( 4.886 0.000 5.386) 7.272 9.201 ( -3.346 0.000 -0.914) 3.469 9.218 ( 5.135 0.000 3.757) 6.362 9.264 ( 0.565 0.000 -0.762) 0.949 9.285 ( 8.114 0.000 1.155) 8.196 9.372 ( 0.115 0.000 -5.004) 5.005 10.546 ( 5.499 0.000 9.058) 10.597 10.643 ( -2.931 0.000 2.687) 3.976 11.080 ( 3.867 0.000 8.952) 9.751 11.126 ( 0.174 0.000 3.985) 3.989 11.133 ( 9.182 0.000 1.035) 9.240 11.340 ( -9.809 0.000 -15.396) 18.255 11.460 ( 17.075 0.000 11.825) 20.770 11.749 ( 4.629 0.000 -3.178) 5.615 11.916 ( -7.377 0.000 -4.776) 8.788 12.084 ( 1.849 0.000 -2.003) 2.726 12.117 ( -1.025 0.000 -4.509) 4.624 12.224 ( -21.725 0.000 -22.234) 31.085 14.937 ( 5.714 0.000 11.493) 12.835 15.028 ( -3.259 0.000 3.511) 4.790 15.442 ( 1.682 0.000 0.779) 1.854 15.476 ( -1.441 0.000 -1.582) 2.140 15.703 ( 13.673 0.000 11.322) 17.752 15.859 ( -1.698 0.000 -3.872) 4.228 16.564 ( 17.732 0.000 14.991) 23.220 16.601 ( 2.555 0.000 2.083) 3.296 16.620 ( 0.829 0.000 0.324) 0.890 16.757 ( 0.938 0.000 -2.572) 2.738 18.173 ( -3.547 0.000 -0.440) 3.574 18.292 ( -13.343 0.000 -10.786) 17.157 19.367 ( 0.224 0.000 1.659) 1.674 19.431 ( -5.792 0.000 -4.404) 7.276 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 1.438 8.149) 8.275 2.250 ( 0.000 -9.857 4.437) 10.810 2.426 ( 0.000 -3.670 12.165) 12.706 2.624 ( 0.000 5.846 -4.122) 7.153 2.930 ( 0.000 4.369 -5.934) 7.369 2.947 ( 0.000 4.653 -12.654) 13.482 3.380 ( 0.000 -15.024 -0.473) 15.032 3.389 ( 0.000 -8.663 -1.269) 8.755 3.621 ( 0.000 -0.256 3.840) 3.848 3.740 ( 0.000 -0.557 -3.280) 3.327 3.967 ( 0.000 -6.083 2.210) 6.472 4.109 ( 0.000 -10.183 -8.749) 13.425 5.317 ( 0.000 18.792 5.270) 19.517 5.383 ( 0.000 19.790 -2.118) 19.903 5.869 ( 0.000 1.577 13.395) 13.487 6.043 ( 0.000 5.357 29.262) 29.748 6.075 ( 0.000 1.449 -3.697) 3.970 6.174 ( 0.000 0.307 7.805) 7.811 6.414 ( 0.000 0.879 -1.411) 1.662 6.855 ( 0.000 3.460 -33.737) 33.914 6.965 ( 0.000 -2.322 0.555) 2.387 7.043 ( 0.000 -4.712 -6.250) 7.827 7.182 ( 0.000 -6.514 19.465) 20.526 7.275 ( 0.000 3.410 8.968) 9.595 7.510 ( 0.000 3.813 -13.595) 14.120 7.565 ( 0.000 -4.400 -17.099) 17.656 8.013 ( 0.000 3.026 1.803) 3.522 8.059 ( 0.000 5.037 -2.948) 5.836 8.466 ( 0.000 -12.352 5.051) 13.344 8.522 ( 0.000 -13.404 -0.765) 13.426 8.637 ( 0.000 -3.808 0.101) 3.809 8.739 ( 0.000 -6.991 -9.206) 11.560 9.247 ( 0.000 15.302 14.715) 21.229 9.528 ( 0.000 10.956 -12.201) 16.398 10.172 ( 0.000 -1.100 8.046) 8.121 10.345 ( 0.000 -3.030 -8.275) 8.812 10.356 ( 0.000 4.541 0.574) 4.577 10.376 ( 0.000 2.252 -1.517) 2.715 11.137 ( 0.000 -6.261 18.036) 19.092 11.392 ( 0.000 -5.792 7.579) 9.539 11.571 ( 0.000 -0.094 -5.597) 5.598 11.729 ( 0.000 -3.451 -3.798) 5.132 12.029 ( 0.000 2.976 -5.450) 6.210 12.080 ( 0.000 7.717 -12.383) 14.591 13.377 ( 0.000 14.552 27.417) 31.040 13.942 ( 0.000 11.010 -1.644) 11.132 14.087 ( 0.000 5.773 8.464) 10.245 14.315 ( 0.000 1.038 30.510) 30.528 14.801 ( 0.000 3.113 -32.655) 32.803 14.933 ( 0.000 1.759 -27.068) 27.125 15.213 ( 0.000 -3.002 15.963) 16.243 15.492 ( 0.000 -3.979 -10.001) 10.763 15.734 ( 0.000 -6.739 9.626) 11.751 15.935 ( 0.000 -5.511 -8.367) 10.019 16.157 ( 0.000 -19.853 6.750) 20.969 16.284 ( 0.000 -18.966 -5.936) 19.873 19.223 ( 0.000 7.493 5.438) 9.259 19.323 ( 0.000 7.436 -4.047) 8.466 19.677 ( 0.000 1.933 11.930) 12.086 19.884 ( 0.000 0.361 -8.271) 8.279 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -0.306 1.668 7.514) 7.703 2.234 ( 0.230 -5.581 0.563) 5.614 2.472 ( 4.901 -5.456 13.128) 15.038 2.662 ( 2.573 0.061 -4.098) 4.839 3.008 ( 6.679 3.405 -4.603) 8.797 3.020 ( 6.613 5.416 -10.434) 13.488 3.298 ( -6.896 -13.370 0.464) 15.050 3.335 ( -5.475 -6.176 -3.138) 8.830 3.575 ( -4.270 -0.219 2.748) 5.083 3.671 ( -6.129 -1.940 -3.406) 7.275 3.941 ( -2.326 -6.817 1.771) 7.417 4.056 ( -4.723 -10.472 -7.575) 13.761 5.293 ( -2.610 18.783 5.260) 19.680 5.366 ( -1.889 20.229 -2.585) 20.481 5.848 ( -12.554 3.580 28.515) 31.361 5.877 ( -0.194 0.923 15.290) 15.319 6.154 ( 4.918 1.887 -10.007) 11.309 6.256 ( 2.250 0.999 -0.973) 2.647 6.433 ( 2.619 2.387 2.106) 4.122 6.709 ( -8.307 1.377 -20.315) 21.991 6.961 ( -0.650 -3.255 3.866) 5.095 7.106 ( -0.222 -4.487 3.671) 5.801 7.187 ( 3.567 -2.346 -5.413) 6.894 7.371 ( -8.431 1.014 -9.011) 12.382 7.411 ( 11.867 2.007 11.171) 16.421 7.671 ( 12.470 0.751 -13.111) 18.110 8.141 ( 7.389 0.896 4.032) 8.465 8.234 ( 11.719 -0.135 -5.271) 12.850 8.557 ( 8.157 -8.141 4.709) 12.449 8.594 ( 7.657 -9.941 1.905) 12.692 8.691 ( 5.755 -3.706 -2.695) 7.357 8.780 ( 5.050 -7.132 -8.988) 12.536 9.246 ( 0.164 15.129 14.167) 20.728 9.533 ( 0.145 12.401 -13.295) 18.181 10.201 ( 3.113 -2.405 7.525) 8.491 10.349 ( 0.685 -3.412 -6.365) 7.254 10.417 ( 6.170 3.429 1.107) 7.145 10.444 ( 6.705 1.416 -1.426) 7.000 11.124 ( -1.684 -6.596 17.207) 18.505 11.374 ( -1.748 -4.854 7.864) 9.405 11.557 ( -1.755 -1.526 -6.900) 7.282 11.719 ( -0.929 -2.640 -5.678) 6.330 12.039 ( 1.195 3.232 -4.629) 5.771 12.085 ( 0.586 7.602 -10.074) 12.634 13.142 ( -17.008 14.183 26.174) 34.286 13.737 ( -19.659 12.813 -30.924) 38.819 14.318 ( 20.191 2.330 36.005) 41.345 14.424 ( 11.247 2.907 29.798) 31.983 14.944 ( 4.184 0.195 -22.550) 22.936 15.082 ( 18.446 4.155 -30.865) 36.196 15.242 ( 3.078 -3.681 12.452) 13.344 15.474 ( -1.581 -4.653 -7.806) 9.224 15.754 ( 2.142 -6.029 10.945) 12.678 15.982 ( 4.465 -7.014 -10.099) 13.082 16.175 ( 1.938 -19.087 5.781) 20.037 16.296 ( 1.557 -18.185 -6.271) 19.299 19.132 ( -8.686 8.584 6.467) 13.819 19.254 ( -6.704 8.325 -5.213) 11.893 19.637 ( -3.845 1.536 11.760) 12.468 19.843 ( -3.947 0.195 -8.410) 9.292 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -3.278 2.532 7.667) 8.714 2.270 ( 1.459 -0.739 -6.031) 6.248 2.614 ( 8.388 -7.503 9.180) 14.523 2.704 ( 1.603 -5.423 0.379) 5.668 3.070 ( -6.747 -0.407 2.912) 7.360 3.128 ( 3.315 -6.463 -0.213) 7.267 3.215 ( -4.365 2.306 -8.253) 9.617 3.238 ( 5.493 -3.360 -8.236) 10.454 3.465 ( -6.085 -0.169 0.520) 6.109 3.525 ( -7.868 -3.539 -4.221) 9.604 3.895 ( -1.594 -9.691 1.190) 9.894 3.957 ( -3.803 -11.673 -4.464) 13.064 5.214 ( -4.837 16.727 5.549) 18.275 5.304 ( -4.095 19.969 -3.358) 20.659 5.582 ( -13.543 4.005 26.118) 29.692 5.832 ( -4.204 2.617 16.472) 17.200 6.106 ( -13.667 0.957 -22.995) 26.767 6.210 ( -4.648 2.579 -19.523) 20.234 6.560 ( 9.467 3.328 7.265) 12.389 6.661 ( 4.212 1.656 -3.674) 5.829 6.954 ( 2.287 -4.141 6.475) 8.019 7.142 ( 4.045 -3.645 -7.044) 8.903 7.236 ( 6.459 4.671 9.376) 12.307 7.412 ( 6.507 3.042 -9.354) 11.794 7.662 ( 10.423 -2.151 12.008) 16.046 7.880 ( 6.306 -5.026 -8.637) 11.817 8.257 ( 4.374 -1.626 6.369) 7.896 8.384 ( 3.527 -3.907 -5.787) 7.823 8.734 ( 9.738 -4.696 5.340) 12.058 8.840 ( 13.967 -0.013 4.319) 14.619 8.859 ( 10.870 -3.874 -5.294) 12.696 8.970 ( 12.457 -2.938 -7.513) 14.841 9.266 ( 1.909 12.485 11.063) 16.790 9.521 ( -1.428 13.838 -12.855) 18.941 10.295 ( 5.322 -4.515 5.087) 8.637 10.391 ( 4.392 -4.430 -4.037) 7.431 10.609 ( 12.640 0.674 2.262) 12.859 10.638 ( 12.136 -0.962 -0.454) 12.183 11.063 ( -3.977 -6.502 16.722) 18.377 11.327 ( -2.637 -2.784 7.308) 8.253 11.494 ( -4.138 -3.906 -8.190) 9.973 11.686 ( -2.524 0.280 -10.786) 11.081 12.070 ( 1.260 2.877 -2.808) 4.213 12.109 ( 1.638 5.860 -5.980) 8.531 12.803 ( -15.867 16.408 20.717) 30.825 13.312 ( -21.321 14.714 -27.634) 37.878 14.606 ( 11.477 -0.200 23.570) 26.217 14.844 ( 23.876 2.398 29.641) 38.137 15.027 ( 4.716 1.193 -11.736) 12.704 15.291 ( 3.449 -6.458 8.193) 10.987 15.430 ( 0.900 -5.207 -5.441) 7.585 15.505 ( 15.320 2.037 -23.675) 28.273 15.836 ( 6.698 -6.258 13.909) 16.658 16.097 ( 6.391 -15.226 -9.137) 18.872 16.237 ( 4.050 -17.494 4.458) 18.501 16.378 ( 7.532 -10.555 -10.027) 16.392 18.897 ( -13.862 11.583 8.136) 19.812 19.064 ( -11.827 10.760 -7.901) 17.835 19.533 ( -6.106 0.588 10.721) 12.352 19.730 ( -7.070 -0.198 -8.540) 11.088 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -2.319 5.525 6.480) 8.825 2.252 ( -3.666 2.759 -10.202) 11.186 2.706 ( 0.627 -5.174 3.747) 6.419 2.785 ( 4.918 -7.503 -0.732) 9.001 2.942 ( -2.833 -5.201 9.104) 10.861 3.115 ( -0.923 -8.794 0.044) 8.842 3.198 ( -0.894 -1.705 -4.223) 4.641 3.334 ( -1.468 -0.523 -10.210) 10.328 3.360 ( -0.731 3.359 -0.486) 3.472 3.375 ( -5.009 -2.000 -2.237) 5.839 3.885 ( 0.758 -15.360 2.375) 15.561 3.949 ( 2.450 -16.460 -3.229) 16.952 5.125 ( -3.085 11.379 4.287) 12.545 5.214 ( -4.523 17.829 -3.804) 18.783 5.324 ( -11.114 6.899 18.086) 22.321 5.735 ( -9.499 5.412 0.054) 10.933 5.764 ( -13.160 4.107 -12.436) 18.566 6.025 ( -11.563 5.757 -17.219) 21.525 6.781 ( 11.748 4.679 5.524) 13.799 6.834 ( 11.379 2.555 -0.489) 11.673 7.052 ( 5.327 -3.232 8.647) 10.658 7.252 ( 4.276 -3.169 -7.689) 9.352 7.400 ( 8.770 8.586 9.488) 15.513 7.534 ( 5.231 6.573 -4.217) 9.400 7.785 ( 2.417 -8.550 8.412) 12.236 7.924 ( -0.982 -10.171 -5.041) 11.394 8.327 ( 2.666 -1.206 5.342) 6.090 8.416 ( 0.219 -3.338 -3.229) 4.650 8.952 ( 11.199 -1.687 6.766) 13.192 9.049 ( 8.693 -2.891 -2.298) 9.445 9.135 ( 13.077 3.818 2.400) 13.833 9.179 ( 6.354 4.122 1.457) 7.713 9.326 ( 3.604 5.571 1.664) 6.841 9.479 ( -2.289 12.377 -10.141) 16.163 10.386 ( 4.065 -5.117 6.451) 9.183 10.516 ( 5.512 -7.222 -6.381) 11.102 10.878 ( 11.241 -3.787 5.427) 13.045 10.899 ( 12.889 -3.764 1.971) 13.571 11.015 ( 1.230 -4.643 12.256) 13.164 11.297 ( 1.090 0.403 7.072) 7.167 11.413 ( -3.750 -5.207 -11.361) 13.048 11.631 ( -1.727 2.724 -11.273) 11.726 12.055 ( -3.938 0.502 -0.525) 4.005 12.123 ( -1.166 2.585 -5.616) 6.291 12.534 ( -9.668 22.453 12.314) 27.372 12.903 ( -18.689 19.097 -22.218) 34.751 14.809 ( 8.474 0.735 16.776) 18.809 15.059 ( 1.105 -0.239 -6.805) 6.898 15.301 ( 12.462 -4.082 16.518) 21.091 15.368 ( 9.058 -5.198 10.997) 15.166 15.431 ( 0.412 -5.099 -0.572) 5.147 15.730 ( 5.222 -6.776 -13.943) 16.359 16.045 ( 12.806 -11.766 11.770) 21.000 16.231 ( 6.681 -18.271 -5.862) 20.318 16.356 ( 8.582 -11.546 8.425) 16.672 16.580 ( 10.514 -4.023 -12.223) 16.617 18.615 ( -12.827 16.051 7.116) 21.744 18.798 ( -13.951 14.366 -10.127) 22.440 19.413 ( -5.040 -0.424 7.515) 9.058 19.571 ( -8.245 -0.653 -7.732) 11.322 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 1.553 7.228 0.952) 7.454 2.146 ( -5.585 6.120 -6.340) 10.432 2.730 ( 1.980 -3.760 1.651) 4.559 2.780 ( -2.711 -3.765 -2.419) 5.233 2.996 ( 5.252 -8.403 6.433) 11.814 3.089 ( -3.047 -8.721 2.251) 9.508 3.165 ( -0.639 -4.156 -4.746) 6.341 3.211 ( -5.184 -3.144 -4.885) 7.786 3.372 ( 2.603 2.005 0.533) 3.329 3.401 ( 0.669 3.603 -1.939) 4.146 3.929 ( 3.217 -21.669 3.839) 22.240 3.980 ( -0.691 -22.776 -0.281) 22.789 5.116 ( 1.062 2.820 0.925) 3.152 5.137 ( -2.583 12.267 -1.842) 12.670 5.195 ( 0.968 15.822 1.700) 15.943 5.389 ( -15.506 5.933 -14.692) 22.169 5.722 ( 1.482 11.124 1.355) 11.304 5.818 ( -8.003 9.774 -8.210) 15.066 6.996 ( 8.588 4.506 5.724) 11.262 7.061 ( 8.045 1.666 1.054) 8.283 7.113 ( 2.046 1.338 4.862) 5.442 7.249 ( -4.854 -0.082 -5.111) 7.049 7.553 ( 5.540 9.809 6.590) 13.051 7.602 ( 0.814 9.146 1.917) 9.380 7.815 ( 1.829 -14.523 2.921) 14.927 7.872 ( -3.418 -14.389 -2.416) 14.985 8.371 ( 1.827 -0.981 2.929) 3.589 8.403 ( -1.301 -1.786 -0.189) 2.218 9.142 ( 6.609 1.530 5.635) 8.819 9.189 ( 4.135 0.484 1.231) 4.341 9.229 ( 1.661 1.899 5.261) 5.834 9.322 ( -3.998 3.050 -1.345) 5.206 9.363 ( 8.169 6.923 0.412) 10.716 9.457 ( -1.192 8.006 -6.679) 10.495 10.467 ( 4.020 -6.806 7.281) 10.747 10.539 ( -2.502 -8.694 2.289) 9.332 11.054 ( 3.032 -4.641 6.252) 8.355 11.066 ( 2.582 -5.105 2.793) 6.366 11.087 ( 9.154 -4.181 -2.159) 10.293 11.293 ( -8.607 -5.582 -14.933) 18.117 11.459 ( 13.615 2.904 11.695) 18.181 11.659 ( 0.083 0.073 -0.152) 0.188 11.923 ( -3.900 0.527 -4.968) 6.338 12.032 ( -7.964 -0.957 -9.422) 12.374 12.458 ( 1.876 26.867 -0.639) 26.940 12.591 ( -11.427 25.255 -13.131) 30.673 14.949 ( 5.578 1.089 10.714) 12.128 15.036 ( -3.000 0.712 3.108) 4.378 15.385 ( 2.541 -5.433 1.818) 6.267 15.423 ( -1.098 -4.520 -0.996) 4.757 15.632 ( 9.825 -11.499 7.593) 16.924 15.751 ( -2.457 -15.097 -3.877) 15.779 16.262 ( 7.599 -17.247 6.641) 19.983 16.328 ( 1.400 -14.979 0.566) 15.055 16.574 ( 11.365 -4.372 9.828) 15.649 16.707 ( 0.079 -4.611 -1.958) 5.010 18.447 ( -2.215 19.900 -0.304) 20.025 18.540 ( -10.293 18.481 -8.627) 22.845 19.358 ( 0.092 -1.024 1.564) 1.872 19.422 ( -5.911 -1.018 -4.502) 7.499 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 -4.525 4.237) 6.199 2.116 ( 0.000 -4.265 -1.052) 4.393 2.503 ( 0.000 8.172 13.384) 15.681 2.718 ( 0.000 1.836 -6.346) 6.606 2.841 ( 0.000 -10.313 -1.536) 10.427 2.914 ( 0.000 -13.080 -7.949) 15.306 3.207 ( 0.000 6.564 3.894) 7.632 3.392 ( 0.000 8.187 -10.610) 13.402 3.574 ( 0.000 -3.934 6.109) 7.267 3.698 ( 0.000 -2.332 0.214) 2.342 3.835 ( 0.000 -6.850 -7.407) 10.089 3.886 ( 0.000 -9.862 -7.572) 12.434 5.747 ( 0.000 18.287 5.055) 18.973 5.798 ( 0.000 15.700 -1.462) 15.768 5.927 ( 0.000 3.809 14.846) 15.327 6.072 ( 0.000 -2.062 9.018) 9.251 6.177 ( 0.000 5.964 19.168) 20.075 6.236 ( 0.000 5.769 -4.841) 7.531 6.474 ( 0.000 5.771 5.782) 8.169 6.824 ( 0.000 -7.784 5.729) 9.665 6.909 ( 0.000 -7.467 -4.981) 8.976 6.933 ( 0.000 -5.493 -1.830) 5.790 7.050 ( 0.000 1.841 -12.570) 12.705 7.411 ( 0.000 -8.470 -20.649) 22.319 7.441 ( 0.000 11.533 9.243) 14.779 7.652 ( 0.000 8.048 -11.112) 13.721 8.032 ( 0.000 -2.505 2.136) 3.292 8.085 ( 0.000 -7.883 -2.356) 8.227 8.202 ( 0.000 -10.444 -1.463) 10.546 8.202 ( 0.000 -10.349 -0.744) 10.375 8.603 ( 0.000 0.876 -0.843) 1.216 8.644 ( 0.000 -1.514 -4.727) 4.964 9.560 ( 0.000 12.207 11.848) 17.011 9.717 ( 0.000 5.074 -2.945) 5.867 10.166 ( 0.000 0.973 4.081) 4.196 10.270 ( 0.000 -3.314 -5.509) 6.429 10.418 ( 0.000 1.984 2.145) 2.921 10.466 ( 0.000 4.715 -0.827) 4.787 10.982 ( 0.000 -6.097 10.532) 12.170 11.208 ( 0.000 -10.623 -7.090) 12.772 11.626 ( 0.000 4.605 6.463) 7.936 11.716 ( 0.000 0.960 0.650) 1.159 12.096 ( 0.000 3.089 -5.586) 6.383 12.178 ( 0.000 1.349 -13.408) 13.475 13.817 ( 0.000 24.484 25.775) 35.550 14.134 ( 0.000 5.369 36.361) 36.755 14.354 ( 0.000 3.357 27.785) 27.987 14.361 ( 0.000 19.127 -27.130) 33.194 14.895 ( 0.000 5.040 -29.502) 29.930 14.994 ( 0.000 3.688 -26.161) 26.420 15.106 ( 0.000 -7.088 13.193) 14.977 15.342 ( 0.000 -21.248 -6.139) 22.117 15.381 ( 0.000 -15.085 10.883) 18.601 15.696 ( 0.000 -19.918 -16.323) 25.752 15.834 ( 0.000 -5.902 5.395) 7.996 15.903 ( 0.000 -9.601 -0.757) 9.631 19.384 ( 0.000 6.368 6.328) 8.977 19.458 ( 0.000 3.738 0.674) 3.798 19.749 ( 0.000 4.594 5.081) 6.850 19.884 ( 0.000 -0.628 -6.709) 6.738 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 3.257 -3.023 3.203) 5.478 2.166 ( 4.523 -3.509 -1.739) 5.983 2.504 ( 0.249 7.168 12.734) 14.614 2.687 ( -2.625 0.824 -4.323) 5.125 2.847 ( 0.364 -12.013 -0.798) 12.045 2.918 ( -0.459 -14.796 -6.365) 16.114 3.222 ( 1.523 7.523 1.537) 7.828 3.372 ( -2.571 4.864 -9.464) 10.947 3.541 ( -2.835 -1.932 4.054) 5.311 3.617 ( -7.152 -1.772 -1.158) 7.458 3.788 ( -3.561 -8.221 -3.554) 9.638 3.864 ( -2.562 -6.316 -9.004) 11.292 5.708 ( -5.977 16.474 7.703) 19.143 5.797 ( -1.777 16.214 -0.873) 16.335 5.905 ( -4.909 2.734 15.818) 16.786 5.958 ( -4.074 6.119 21.497) 22.719 6.212 ( 1.431 3.181 -10.719) 11.272 6.278 ( 3.307 1.167 -1.017) 3.651 6.492 ( 1.897 2.946 3.950) 5.280 6.714 ( -8.290 -1.859 -9.729) 12.916 6.890 ( 2.882 -3.214 3.970) 5.865 6.970 ( 3.099 -8.060 13.536) 16.056 7.136 ( 3.297 -0.389 -16.310) 16.645 7.319 ( -3.524 -4.724 -14.139) 15.318 7.541 ( 8.363 9.658 8.162) 15.160 7.730 ( 6.854 4.661 -9.117) 12.322 8.067 ( 2.979 -7.949 2.689) 8.905 8.123 ( 4.770 -11.893 -2.667) 13.089 8.380 ( 15.382 -4.620 2.849) 16.312 8.455 ( 19.012 -3.771 -3.257) 19.654 8.659 ( 5.591 0.693 -3.303) 6.531 8.686 ( 5.396 -1.201 -5.165) 7.565 9.569 ( 0.660 13.503 12.849) 18.651 9.761 ( 3.780 6.871 -5.277) 9.453 10.154 ( -1.050 -1.106 5.050) 5.275 10.259 ( -0.825 -4.426 -4.687) 6.499 10.463 ( 4.580 0.799 1.773) 4.976 10.497 ( 3.467 3.193 0.199) 4.717 10.969 ( -1.503 -5.747 9.281) 11.019 11.199 ( -0.963 -10.563 -8.742) 13.745 11.599 ( -2.562 4.784 7.633) 9.365 11.713 ( -0.281 0.689 -0.629) 0.974 12.113 ( 1.525 3.404 -4.920) 6.173 12.187 ( 0.803 1.761 -12.218) 12.370 13.569 ( -15.418 23.903 24.972) 37.850 14.071 ( -17.622 14.263 -19.105) 29.647 14.371 ( 10.379 4.431 23.436) 26.011 14.535 ( 15.898 7.435 27.253) 32.415 14.955 ( 3.015 -1.474 -20.868) 21.136 15.083 ( -0.363 -7.118 10.005) 12.284 15.206 ( 15.404 2.871 -23.526) 28.266 15.309 ( -2.751 -13.079 -9.634) 16.476 15.464 ( 8.946 -18.031 13.471) 24.220 15.720 ( 0.382 -12.773 -3.652) 13.291 15.891 ( -0.217 -8.124 -0.158) 8.129 15.917 ( 8.924 -11.111 -8.729) 16.712 19.318 ( -6.291 7.464 6.915) 11.963 19.409 ( -4.705 4.416 -0.397) 6.465 19.697 ( -4.967 4.165 5.259) 8.347 19.838 ( -4.453 -0.943 -7.043) 8.386 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 3.218 1.793 2.359) 4.374 2.268 ( 4.703 -0.009 -4.575) 6.561 2.539 ( 4.165 1.880 9.890) 10.895 2.635 ( -2.032 -1.492 -0.201) 2.529 2.841 ( -1.770 -12.976 2.861) 13.405 2.879 ( -2.281 -12.810 -1.774) 13.132 3.236 ( -1.937 0.837 -5.879) 6.246 3.271 ( -6.640 -3.852 -7.606) 10.807 3.455 ( -5.321 -0.159 1.843) 5.634 3.498 ( -3.434 2.944 -1.901) 4.906 3.722 ( -2.590 -6.261 -2.078) 7.087 3.786 ( -4.838 -3.854 -7.629) 9.822 5.500 ( -12.609 8.368 13.598) 20.345 5.633 ( -12.282 3.288 18.151) 22.161 5.749 ( -8.904 14.866 -4.175) 17.824 6.001 ( 3.610 12.682 11.297) 17.363 6.115 ( -13.943 0.134 -20.230) 24.569 6.283 ( -0.153 3.077 -14.039) 14.373 6.607 ( 9.974 1.227 8.248) 13.001 6.722 ( 7.699 3.144 -2.269) 8.620 6.938 ( 3.249 3.006 4.818) 6.542 7.070 ( 5.661 -4.074 0.244) 6.979 7.217 ( 8.161 -4.890 1.981) 9.717 7.359 ( 4.779 -7.745 -7.366) 11.708 7.712 ( 7.009 7.550 7.239) 12.591 7.852 ( 3.928 2.460 -5.440) 7.147 8.146 ( 4.254 -8.025 3.800) 9.846 8.217 ( 3.741 -10.956 -2.913) 11.938 8.678 ( 13.376 0.339 7.697) 15.436 8.796 ( 9.982 -2.358 0.384) 10.264 8.877 ( 19.304 2.724 -6.248) 20.472 8.934 ( 17.815 -0.591 -9.483) 20.191 9.571 ( -0.812 14.971 13.965) 20.489 9.816 ( 0.056 12.378 -9.703) 15.728 10.155 ( 2.189 -8.468 6.694) 11.014 10.258 ( 1.141 -7.549 -3.493) 8.396 10.600 ( 8.734 -1.641 2.261) 9.170 10.620 ( 8.677 0.022 2.406) 9.004 10.924 ( -2.469 -4.249 6.787) 8.380 11.172 ( -1.498 -10.308 -12.731) 16.450 11.533 ( -3.560 5.921 9.642) 11.862 11.700 ( -1.128 0.110 -4.437) 4.580 12.142 ( 0.694 3.720 -2.680) 4.637 12.203 ( 0.425 2.299 -8.927) 9.228 13.298 ( -10.911 27.980 18.987) 35.531 13.716 ( -16.534 20.877 -20.443) 33.573 14.557 ( 9.314 -6.498 18.562) 21.760 14.826 ( 8.293 -7.472 5.021) 12.240 15.068 ( -0.530 -9.107 8.531) 12.490 15.104 ( 11.656 3.965 4.820) 13.222 15.235 ( -1.509 -12.785 -3.097) 13.241 15.462 ( 5.614 -9.258 -8.770) 13.934 15.672 ( 4.774 -5.043 8.164) 10.718 15.791 ( 13.977 -8.413 -3.008) 16.588 15.928 ( 6.164 -6.022 2.118) 8.874 16.173 ( 14.644 -9.119 -16.828) 24.099 19.149 ( -9.791 10.333 7.636) 16.154 19.279 ( -7.975 6.828 -3.528) 11.075 19.560 ( -8.190 2.517 5.808) 10.351 19.712 ( -7.859 -1.783 -7.687) 11.137 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.731 7.834 2.835) 8.509 2.335 ( 1.482 4.471 -6.673) 8.168 2.613 ( 0.193 -3.055 2.890) 4.210 2.657 ( 5.530 -3.359 0.505) 6.490 2.774 ( -2.586 -8.767 9.565) 13.230 2.880 ( 1.727 -11.054 3.550) 11.738 3.113 ( -6.864 -5.884 -7.026) 11.450 3.175 ( -4.293 -10.157 -9.646) 14.651 3.385 ( -2.320 1.256 0.719) 2.734 3.431 ( -2.327 1.718 -2.878) 4.080 3.671 ( -3.672 -5.073 -1.475) 6.434 3.697 ( -3.217 -5.531 -3.914) 7.501 5.272 ( -8.735 4.738 11.280) 15.033 5.410 ( -8.508 0.107 13.505) 15.962 5.528 ( -12.119 10.050 -11.706) 19.619 5.760 ( -17.824 -1.602 -19.301) 26.321 6.081 ( 3.330 20.681 8.120) 22.466 6.262 ( -2.237 14.623 -10.365) 18.063 6.841 ( 11.959 0.450 5.009) 12.973 6.896 ( 8.063 -0.942 -0.731) 8.151 7.054 ( 7.806 5.361 7.696) 12.203 7.199 ( 5.866 -2.308 -4.176) 7.561 7.401 ( 7.891 -7.771 4.620) 12.000 7.464 ( 5.477 -11.046 -0.346) 12.334 7.797 ( 1.738 8.790 5.371) 10.446 7.879 ( -0.699 5.568 -2.547) 6.163 8.218 ( 2.596 -7.924 2.982) 8.855 8.265 ( 1.164 -9.711 -1.609) 9.912 8.944 ( 13.039 0.876 7.249) 14.944 9.004 ( 10.362 -1.423 1.305) 10.540 9.219 ( 12.406 3.770 -1.873) 13.100 9.269 ( 13.338 2.759 -6.719) 15.188 9.536 ( -2.002 13.821 11.994) 18.409 9.758 ( -4.377 12.868 -9.279) 16.457 10.226 ( 3.416 -10.234 4.493) 11.687 10.297 ( 1.776 -12.106 -2.417) 12.472 10.784 ( 8.725 -3.884 4.173) 10.423 10.815 ( 9.127 -3.680 6.180) 11.621 10.907 ( 1.596 -2.718 -0.346) 3.171 11.156 ( -0.014 -10.245 -16.889) 19.753 11.486 ( 0.211 7.964 11.127) 13.685 11.683 ( 0.555 0.818 -7.030) 7.099 12.103 ( -5.429 3.611 1.137) 6.619 12.177 ( -3.913 1.616 -6.330) 7.615 13.151 ( -3.300 33.660 10.003) 35.270 13.429 ( -11.642 28.428 -16.089) 34.678 14.747 ( 9.257 -14.505 11.866) 20.902 14.926 ( 3.421 -23.181 -3.526) 23.696 15.070 ( 0.849 -10.470 4.831) 11.562 15.140 ( -2.268 -5.530 -0.821) 6.033 15.336 ( 2.230 -4.916 7.084) 8.907 15.444 ( -5.146 -12.458 -2.479) 13.705 15.838 ( 14.277 -0.499 14.477) 20.339 16.115 ( 14.226 -0.851 -5.530) 15.287 16.150 ( 13.940 -4.041 9.255) 17.214 16.449 ( 11.333 -7.576 -13.129) 18.926 18.958 ( -8.177 14.057 6.022) 17.341 19.103 ( -9.063 11.597 -7.335) 16.445 19.395 ( -7.247 -0.928 5.637) 9.228 19.536 ( -9.085 -2.917 -7.535) 12.158 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 2.286 10.916 1.482) 11.251 2.322 ( -2.192 9.527 -2.787) 10.165 2.640 ( 2.210 -4.099 2.597) 5.332 2.683 ( -1.706 -5.185 0.174) 5.462 2.820 ( 5.384 -6.407 3.768) 9.178 2.898 ( -1.345 -7.846 2.193) 8.257 3.019 ( -1.525 -9.432 -4.742) 10.666 3.071 ( -5.598 -9.700 -6.412) 12.905 3.393 ( 3.736 0.316 1.032) 3.889 3.439 ( 1.761 -0.171 -2.963) 3.451 3.584 ( -3.380 -8.585 1.383) 9.330 3.622 ( -4.672 -9.324 -1.767) 10.578 5.188 ( 0.939 3.935 1.152) 4.206 5.301 ( -9.420 5.189 -9.010) 14.030 5.329 ( 0.968 -0.385 1.665) 1.964 5.455 ( -11.373 -0.635 -10.383) 15.413 6.144 ( 3.002 24.366 2.597) 24.687 6.205 ( -3.053 23.065 -3.706) 23.560 7.022 ( 4.152 -8.389 3.484) 9.987 7.025 ( 4.546 -5.588 2.899) 7.765 7.205 ( 6.491 7.090 3.389) 10.192 7.275 ( 0.730 3.146 -2.375) 4.009 7.497 ( 3.035 -9.807 3.895) 10.980 7.542 ( 0.312 -10.366 0.427) 10.379 7.817 ( 1.368 10.936 4.323) 11.839 7.852 ( -1.618 9.249 0.669) 9.413 8.253 ( 1.176 -8.780 1.592) 9.000 8.270 ( -0.474 -9.500 -0.076) 9.512 9.176 ( 8.975 1.688 5.964) 10.907 9.206 ( 9.975 0.636 3.624) 10.632 9.302 ( -2.915 3.916 6.003) 7.737 9.371 ( -4.523 1.248 0.710) 4.745 9.586 ( 7.050 13.748 -0.228) 15.452 9.688 ( -2.948 12.771 -7.768) 15.235 10.271 ( 1.367 -11.452 3.278) 11.991 10.298 ( -1.298 -13.387 1.044) 13.490 10.928 ( 3.290 -5.536 3.294) 7.234 10.952 ( 2.434 -3.468 -0.261) 4.245 10.965 ( 7.173 -5.723 -2.971) 9.645 11.115 ( -5.322 -9.101 -12.612) 16.438 11.604 ( 11.098 8.478 8.826) 16.521 11.752 ( 3.735 4.781 -3.541) 7.025 11.938 ( -7.454 1.313 1.534) 7.723 12.033 ( -9.658 -0.182 -6.281) 11.522 13.155 ( 2.944 37.282 0.007) 37.398 13.250 ( -6.478 35.424 -8.870) 37.088 14.908 ( 5.961 -20.480 5.709) 22.081 14.967 ( -0.002 -27.791 0.082) 27.791 15.102 ( 1.963 -14.675 2.566) 15.026 15.119 ( 0.316 -8.117 1.916) 8.346 15.305 ( -2.552 -6.674 1.503) 7.302 15.325 ( -5.048 -9.986 -0.685) 11.211 16.135 ( 12.186 3.375 10.533) 16.457 16.261 ( 0.411 4.339 -1.399) 4.577 16.441 ( 12.160 -7.475 10.531) 17.738 16.572 ( -0.065 -7.461 -1.879) 7.694 18.862 ( -0.600 16.911 0.120) 16.922 18.934 ( -6.979 16.272 -6.512) 18.865 19.309 ( -0.635 -3.939 1.227) 4.175 19.372 ( -6.426 -4.008 -4.785) 8.959 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 -1.391 1.028) 1.730 2.059 ( 0.000 1.391 1.028) 1.730 2.649 ( 0.000 -5.030 4.502) 6.751 2.649 ( 0.000 5.030 4.502) 6.751 2.736 ( 0.000 -2.677 -5.478) 6.097 2.736 ( 0.000 2.677 -5.478) 6.097 3.405 ( 0.000 -8.724 3.046) 9.240 3.405 ( 0.000 8.724 3.046) 9.240 3.629 ( 0.000 -8.439 -8.634) 12.073 3.629 ( 0.000 8.439 -8.634) 12.073 3.729 ( 0.000 -2.819 -3.661) 4.621 3.729 ( 0.000 2.819 -3.661) 4.621 5.966 ( 0.000 -1.463 0.120) 1.468 5.966 ( 0.000 1.463 0.120) 1.468 6.015 ( 0.000 -2.483 12.643) 12.885 6.015 ( 0.000 2.483 12.643) 12.885 6.301 ( 0.000 -3.896 2.823) 4.811 6.301 ( 0.000 3.896 2.823) 4.811 6.655 ( 0.000 -8.518 16.648) 18.701 6.655 ( 0.000 8.518 16.648) 18.701 6.781 ( 0.000 -0.037 0.636) 0.637 6.781 ( 0.000 0.037 0.636) 0.637 7.212 ( 0.000 -9.405 -25.576) 27.251 7.212 ( 0.000 9.405 -25.576) 27.251 7.741 ( 0.000 -14.442 3.215) 14.796 7.741 ( 0.000 14.442 3.215) 14.796 7.870 ( 0.000 -8.517 -3.398) 9.170 7.870 ( 0.000 8.517 -3.398) 9.170 8.120 ( 0.000 -1.058 -3.069) 3.246 8.120 ( 0.000 1.058 -3.069) 3.246 8.631 ( 0.000 -0.824 -2.183) 2.333 8.631 ( 0.000 0.824 -2.183) 2.333 9.732 ( 0.000 -3.536 5.689) 6.699 9.732 ( 0.000 3.536 5.689) 6.699 10.209 ( 0.000 -2.543 -1.229) 2.824 10.209 ( 0.000 2.543 -1.229) 2.824 10.483 ( 0.000 -3.228 5.920) 6.743 10.483 ( 0.000 3.228 5.920) 6.743 10.990 ( 0.000 -7.487 -5.553) 9.322 10.990 ( 0.000 7.487 -5.553) 9.322 11.712 ( 0.000 -2.214 5.861) 6.265 11.712 ( 0.000 2.214 5.861) 6.265 12.159 ( 0.000 -2.460 -9.728) 10.035 12.159 ( 0.000 2.460 -9.728) 10.035 14.178 ( 0.000 -3.490 28.636) 28.848 14.178 ( 0.000 3.490 28.636) 28.848 14.642 ( 0.000 -23.843 18.389) 30.111 14.642 ( 0.000 23.843 18.389) 30.111 14.807 ( 0.000 -12.751 -13.384) 18.486 14.807 ( 0.000 12.751 -13.384) 18.486 15.057 ( 0.000 -2.536 -20.181) 20.340 15.057 ( 0.000 2.536 -20.181) 20.340 15.322 ( 0.000 -8.495 -9.215) 12.533 15.322 ( 0.000 8.495 -9.215) 12.533 15.801 ( 0.000 -1.563 1.865) 2.433 15.801 ( 0.000 1.563 1.865) 2.433 19.475 ( 0.000 -1.915 5.529) 5.851 19.475 ( 0.000 1.915 5.529) 5.851 19.843 ( 0.000 -3.387 -2.738) 4.355 19.843 ( 0.000 3.387 -2.738) 4.355 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 5.009 -1.729 0.928) 5.380 2.112 ( 5.009 1.729 0.928) 5.380 2.645 ( -0.452 -5.053 4.275) 6.634 2.645 ( -0.452 5.053 4.275) 6.634 2.717 ( -1.923 -4.664 -4.357) 6.666 2.717 ( -1.923 4.664 -4.357) 6.666 3.367 ( -4.507 -4.572 -1.611) 6.619 3.367 ( -4.507 4.572 -1.611) 6.619 3.564 ( -4.328 -3.765 -0.760) 5.786 3.564 ( -4.328 3.765 -0.760) 5.786 3.739 ( -0.189 -4.876 -7.498) 8.946 3.739 ( -0.189 4.876 -7.498) 8.946 5.890 ( -10.110 -1.911 16.061) 19.074 5.890 ( -10.110 1.911 16.061) 19.074 6.048 ( 3.874 -2.399 1.726) 4.873 6.048 ( 3.874 2.399 1.726) 4.873 6.281 ( -1.501 -2.895 -7.457) 8.138 6.281 ( -1.501 2.895 -7.457) 8.138 6.596 ( -2.435 -7.833 7.747) 11.283 6.596 ( -2.435 7.833 7.747) 11.283 6.850 ( 6.180 -1.585 9.191) 11.188 6.850 ( 6.180 1.585 9.191) 11.188 7.201 ( -1.079 -5.442 -20.373) 21.115 7.201 ( -1.079 5.442 -20.373) 21.115 7.806 ( 4.591 -13.448 3.480) 14.630 7.806 ( 4.591 13.448 3.480) 14.630 7.876 ( 4.578 -7.301 -2.957) 9.111 7.876 ( 4.578 7.301 -2.957) 9.111 8.376 ( 19.693 -2.793 -1.180) 19.925 8.376 ( 19.693 2.793 -1.180) 19.925 8.682 ( 5.541 -0.511 -4.257) 7.006 8.682 ( 5.541 0.511 -4.257) 7.006 9.779 ( 4.389 -5.105 6.471) 9.338 9.779 ( 4.389 5.105 6.471) 9.338 10.177 ( -3.376 -2.908 -1.104) 4.591 10.177 ( -3.376 2.908 -1.104) 4.591 10.502 ( 2.434 -2.429 5.521) 6.504 10.502 ( 2.434 2.429 5.521) 6.504 10.983 ( -0.768 -7.451 -6.790) 10.110 10.983 ( -0.768 7.451 -6.790) 10.110 11.696 ( -1.488 -2.936 5.674) 6.559 11.696 ( -1.488 2.936 5.674) 6.559 12.177 ( 1.606 -2.201 -8.754) 9.168 12.177 ( 1.606 2.201 -8.754) 9.168 14.046 ( -9.509 -15.847 20.306) 27.457 14.046 ( -9.509 15.847 20.306) 27.457 14.657 ( -8.908 -14.598 -13.075) 21.527 14.657 ( -8.908 14.598 -13.075) 21.527 14.829 ( 13.087 -17.021 18.687) 28.464 14.829 ( 13.087 17.021 18.687) 28.464 15.127 ( 3.849 -6.213 -3.089) 7.935 15.127 ( 3.849 6.213 -3.089) 7.935 15.466 ( 11.893 -9.523 -15.662) 21.850 15.466 ( 11.893 9.523 -15.662) 21.850 15.811 ( 2.329 -1.030 -0.967) 2.724 15.811 ( 2.329 1.030 -0.967) 2.724 19.427 ( -4.549 -2.421 5.600) 7.610 19.427 ( -4.549 2.421 5.600) 7.610 19.790 ( -5.105 -3.625 -3.169) 7.018 19.790 ( -5.105 3.625 -3.169) 7.018 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 7.122 -2.582 0.032) 7.576 2.241 ( 7.122 2.582 0.032) 7.576 2.634 ( -0.708 -4.934 1.753) 5.283 2.634 ( -0.708 4.934 1.753) 5.283 2.670 ( -1.642 -7.028 1.727) 7.421 2.670 ( -1.642 7.028 1.727) 7.421 3.216 ( -9.388 -0.655 -7.470) 12.015 3.216 ( -9.388 0.655 -7.470) 12.015 3.494 ( -3.203 -2.886 3.575) 5.600 3.494 ( -3.203 2.886 3.575) 5.600 3.710 ( -2.541 -3.367 -7.897) 8.953 3.710 ( -2.541 3.367 -7.897) 8.953 5.617 ( -14.736 -3.212 18.956) 24.223 5.617 ( -14.736 3.212 18.956) 24.223 6.006 ( -12.647 -7.745 -15.385) 21.369 6.006 ( -12.647 7.745 -15.385) 21.369 6.274 ( 5.908 -5.661 -2.527) 8.564 6.274 ( 5.908 5.661 -2.527) 8.564 6.691 ( 9.329 -6.575 9.140) 14.622 6.691 ( 9.329 6.575 9.140) 14.622 7.003 ( 8.499 -1.157 4.760) 9.810 7.003 ( 8.499 1.157 4.760) 9.810 7.191 ( 1.141 -4.941 -9.445) 10.720 7.191 ( 1.141 4.941 -9.445) 10.720 7.900 ( 4.689 -4.543 1.392) 6.675 7.900 ( 4.689 4.543 1.392) 6.675 8.009 ( 6.080 -0.917 0.055) 6.149 8.009 ( 6.080 0.917 0.055) 6.149 8.729 ( 12.931 -3.510 6.445) 14.869 8.729 ( 12.931 3.510 6.445) 14.869 8.924 ( 19.024 -1.116 -10.902) 21.955 8.924 ( 19.024 1.116 -10.902) 21.955 9.877 ( 3.810 -11.854 9.752) 15.815 9.877 ( 3.810 11.854 9.752) 15.815 10.086 ( -4.351 -7.606 -3.612) 9.478 10.086 ( -4.351 7.606 -3.612) 9.478 10.597 ( 6.877 -1.388 5.743) 9.067 10.597 ( 6.877 1.388 5.743) 9.067 10.961 ( -1.090 -7.465 -9.474) 12.111 10.961 ( -1.090 7.465 -9.474) 12.111 11.657 ( -2.090 -4.330 4.330) 6.470 11.657 ( -2.090 4.330 4.330) 6.470 12.207 ( 0.802 -1.773 -5.946) 6.257 12.207 ( 0.802 1.773 -5.946) 6.257 13.880 ( -5.790 -18.443 10.387) 21.944 13.880 ( -5.790 18.443 10.387) 21.944 14.491 ( -7.419 -14.290 -9.979) 18.943 14.491 ( -7.419 14.290 -9.979) 18.943 15.017 ( 3.854 -4.740 8.382) 10.372 15.017 ( 3.854 4.740 8.382) 10.372 15.259 ( 7.901 -8.356 7.788) 13.889 15.259 ( 7.901 8.356 7.788) 13.889 15.661 ( 8.832 -3.508 5.360) 10.911 15.661 ( 8.832 3.508 5.360) 10.911 15.986 ( 14.565 -7.561 -15.308) 22.442 15.986 ( 14.565 7.561 -15.308) 22.442 19.306 ( -6.896 -3.734 5.335) 9.485 19.306 ( -6.896 3.734 5.335) 9.485 19.645 ( -9.058 -4.312 -4.219) 10.882 19.645 ( -9.058 4.312 -4.219) 10.882 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 5.750 -3.320 -1.430) 6.792 2.373 ( 5.750 3.320 -1.430) 6.792 2.599 ( -1.790 -3.248 0.501) 3.743 2.599 ( -1.790 3.248 0.501) 3.743 2.702 ( 3.666 -4.789 8.723) 10.605 2.702 ( 3.666 4.789 8.723) 10.605 3.036 ( -7.841 -1.480 -10.285) 13.018 3.036 ( -7.841 1.480 -10.285) 13.018 3.419 ( -3.570 -1.810 0.890) 4.101 3.419 ( -3.570 1.810 0.890) 4.101 3.640 ( -4.436 -1.137 -4.442) 6.380 3.640 ( -4.436 1.137 -4.442) 6.380 5.363 ( -9.307 -3.591 12.906) 16.312 5.363 ( -9.307 3.591 12.906) 16.312 5.685 ( -16.521 -5.206 -17.301) 24.482 5.685 ( -16.521 5.206 -17.301) 24.482 6.439 ( 8.930 -5.872 1.337) 10.771 6.439 ( 8.930 5.872 1.337) 10.771 6.816 ( 1.132 -2.061 3.002) 3.813 6.816 ( 1.132 2.061 3.002) 3.813 7.177 ( 9.152 -3.050 1.950) 9.842 7.177 ( 9.152 3.050 1.950) 9.842 7.283 ( 7.044 -2.660 0.122) 7.531 7.283 ( 7.044 2.660 0.122) 7.531 7.979 ( 2.984 -2.556 1.583) 4.236 7.979 ( 2.984 2.556 1.583) 4.236 8.081 ( 1.067 -0.904 0.506) 1.487 8.081 ( 1.067 0.904 0.506) 1.487 8.974 ( 12.080 -1.535 5.828) 13.499 8.974 ( 12.080 1.535 5.828) 13.499 9.281 ( 13.056 -1.531 -5.186) 14.131 9.281 ( 13.056 1.531 -5.186) 14.131 9.872 ( -2.320 -13.950 6.808) 15.695 9.872 ( -2.320 13.950 6.808) 15.695 10.062 ( 0.580 -8.278 -3.497) 9.006 10.062 ( 0.580 8.278 -3.497) 9.006 10.751 ( 7.391 -1.154 6.467) 9.888 10.751 ( 7.391 1.154 6.467) 9.888 10.958 ( 1.011 -6.856 -11.866) 13.742 10.958 ( 1.011 6.856 -11.866) 13.742 11.637 ( 1.261 -5.073 2.562) 5.821 11.637 ( 1.261 5.073 2.562) 5.821 12.173 ( -5.036 -2.061 -2.670) 6.062 12.173 ( -5.036 2.061 -2.670) 6.062 13.845 ( 2.658 -16.372 3.318) 16.914 13.845 ( 2.658 16.372 3.318) 16.914 14.345 ( -7.612 -12.578 -6.241) 15.972 14.345 ( -7.612 12.578 -6.241) 15.972 15.062 ( 1.985 -3.950 4.403) 6.239 15.062 ( 1.985 3.950 4.403) 6.239 15.298 ( -3.122 -2.606 2.642) 4.850 15.298 ( -3.122 2.606 2.642) 4.850 15.945 ( 17.703 -7.952 16.829) 25.687 15.945 ( 17.703 7.952 16.829) 25.687 16.275 ( 11.872 -8.028 -13.046) 19.380 16.275 ( 11.872 8.028 -13.046) 19.380 19.178 ( -5.014 -5.325 3.490) 8.104 19.178 ( -5.014 5.325 3.490) 8.104 19.441 ( -10.678 -5.298 -5.055) 12.947 19.441 ( -10.678 5.298 -5.055) 12.947 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 4.909 -2.865 1.310) 5.833 2.479 ( 4.909 2.865 1.310) 5.833 2.562 ( -2.816 -1.739 4.028) 5.213 2.562 ( -2.816 1.739 4.028) 5.213 2.781 ( 4.647 -3.112 1.296) 5.740 2.781 ( 4.647 3.112 1.296) 5.740 2.899 ( -6.387 -2.802 -8.029) 10.635 2.899 ( -6.387 2.802 -8.029) 10.635 3.408 ( 3.487 -1.445 -0.516) 3.809 3.408 ( 3.487 1.445 -0.516) 3.809 3.527 ( -6.687 -1.114 -1.067) 6.863 3.527 ( -6.687 1.114 -1.067) 6.863 5.275 ( 0.951 -3.741 1.347) 4.088 5.275 ( 0.951 3.741 1.347) 4.088 5.399 ( -10.951 -3.881 -10.319) 15.539 5.399 ( -10.951 3.881 -10.319) 15.539 6.614 ( 8.207 -6.329 1.526) 10.476 6.614 ( 8.207 6.329 1.526) 10.476 6.758 ( -5.735 -5.379 1.032) 7.930 6.758 ( -5.735 5.379 1.032) 7.930 7.346 ( 6.236 -4.222 2.739) 8.013 7.346 ( 6.236 4.222 2.739) 8.013 7.391 ( 2.138 -4.541 1.676) 5.291 7.391 ( 2.138 4.541 1.676) 5.291 8.026 ( 2.077 -1.912 1.552) 3.221 8.026 ( 2.077 1.912 1.552) 3.221 8.068 ( -1.840 -0.679 0.943) 2.176 8.068 ( -1.840 0.679 0.943) 2.176 9.206 ( 10.490 -0.808 5.685) 11.959 9.206 ( 10.490 0.808 5.685) 11.959 9.367 ( -4.022 -1.737 3.602) 5.672 9.367 ( -4.022 1.737 3.602) 5.672 9.907 ( 5.838 -8.832 -1.297) 10.666 9.907 ( 5.838 8.832 -1.297) 10.666 10.027 ( -4.507 -5.847 -1.994) 7.647 10.027 ( -4.507 5.847 -1.994) 7.647 10.878 ( 5.465 -1.207 0.612) 5.630 10.878 ( 5.465 1.207 0.612) 5.630 10.961 ( -2.051 -4.213 -6.888) 8.331 10.961 ( -2.051 4.213 -6.888) 8.331 11.755 ( 10.421 -4.449 0.883) 11.366 11.755 ( 10.421 4.449 0.884) 11.366 11.997 ( -11.785 -3.145 -0.535) 12.209 11.997 ( -11.785 3.145 -0.535) 12.209 13.974 ( 9.194 -13.524 -0.928) 16.380 13.974 ( 9.194 13.524 -0.928) 16.380 14.172 ( -9.605 -12.074 -3.568) 15.836 14.172 ( -9.605 12.074 -3.568) 15.836 15.117 ( 3.606 -2.773 3.237) 5.583 15.117 ( 3.606 2.773 3.237) 5.583 15.206 ( -4.992 -1.716 2.425) 5.809 15.206 ( -4.992 1.716 2.425) 5.809 16.269 ( 12.653 -7.738 10.566) 18.210 16.269 ( 12.653 7.738 10.566) 18.210 16.403 ( -0.016 -7.742 -1.679) 7.922 16.403 ( -0.016 7.742 -1.679) 7.922 19.137 ( 1.560 -6.363 -0.528) 6.573 19.137 ( 1.560 6.363 -0.528) 6.573 19.242 ( -8.324 -6.212 -4.156) 11.187 19.242 ( -8.324 6.212 -4.156) 11.187 =================== 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 3/29160 10.0 4351.784 3697.982 3914.606 0.000 0.000 0.000 3/29160 20.0 570.064 763.746 667.261 0.000 0.000 -0.000 3/29160 30.0 207.849 309.677 267.647 0.000 0.000 0.000 3/29160 40.0 107.762 162.795 142.734 0.000 0.000 0.000 3/29160 50.0 65.708 98.807 87.563 0.000 0.000 0.000 3/29160 60.0 44.541 66.300 59.179 0.000 0.000 0.000 3/29160 70.0 32.582 47.888 42.977 0.000 0.000 0.000 3/29160 80.0 25.220 36.566 32.961 0.000 0.000 0.000 3/29160 90.0 20.369 29.137 26.362 0.000 0.000 0.000 3/29160 100.0 16.994 24.000 21.783 0.000 0.000 0.000 3/29160 110.0 14.540 20.294 18.470 0.000 0.000 0.000 3/29160 120.0 12.690 17.523 15.987 0.000 0.000 0.000 3/29160 130.0 11.254 15.392 14.073 0.000 0.000 0.000 3/29160 140.0 10.112 13.710 12.560 0.000 0.000 0.000 3/29160 150.0 9.183 12.355 11.339 0.000 0.000 0.000 3/29160 160.0 8.415 11.244 10.336 0.000 0.000 0.000 3/29160 170.0 7.769 10.317 9.499 0.000 0.000 0.000 3/29160 180.0 7.219 9.535 8.791 0.000 0.000 0.000 3/29160 190.0 6.745 8.865 8.185 0.000 0.000 0.000 3/29160 200.0 6.333 8.286 7.659 0.000 0.000 0.000 3/29160 210.0 5.971 7.781 7.201 0.000 0.000 0.000 3/29160 220.0 5.649 7.336 6.796 0.000 0.000 0.000 3/29160 230.0 5.363 6.941 6.437 0.000 0.000 0.000 3/29160 240.0 5.105 6.588 6.115 0.000 0.000 0.000 3/29160 250.0 4.873 6.271 5.826 0.000 0.000 0.000 3/29160 260.0 4.662 5.984 5.564 0.000 0.000 0.000 3/29160 270.0 4.469 5.724 5.326 0.000 0.000 0.000 3/29160 280.0 4.292 5.486 5.108 0.000 0.000 0.000 3/29160 290.0 4.129 5.269 4.908 0.000 0.000 0.000 3/29160 300.0 3.979 5.068 4.725 0.000 0.000 0.000 3/29160 310.0 3.840 4.883 4.554 0.000 0.000 0.000 3/29160 320.0 3.710 4.711 4.397 0.000 0.000 0.000 3/29160 330.0 3.589 4.552 4.250 0.000 0.000 0.000 3/29160 340.0 3.477 4.403 4.113 0.000 0.000 0.000 3/29160 350.0 3.371 4.265 3.985 0.000 0.000 0.000 3/29160 360.0 3.272 4.135 3.865 0.000 0.000 0.000 3/29160 370.0 3.178 4.013 3.752 0.000 0.000 0.000 3/29160 380.0 3.090 3.898 3.646 0.000 0.000 0.000 3/29160 390.0 3.007 3.790 3.546 0.000 0.000 0.000 3/29160 400.0 2.928 3.687 3.452 0.000 0.000 0.000 3/29160 410.0 2.854 3.591 3.362 0.000 0.000 0.000 3/29160 420.0 2.783 3.499 3.277 0.000 0.000 0.000 3/29160 430.0 2.716 3.412 3.197 0.000 0.000 0.000 3/29160 440.0 2.652 3.330 3.120 0.000 0.000 0.000 3/29160 450.0 2.591 3.251 3.047 0.000 0.000 0.000 3/29160 460.0 2.532 3.176 2.978 0.000 0.000 0.000 3/29160 470.0 2.477 3.105 2.912 0.000 0.000 0.000 3/29160 480.0 2.424 3.037 2.848 0.000 0.000 0.000 3/29160 490.0 2.373 2.972 2.788 0.000 0.000 0.000 3/29160 500.0 2.324 2.909 2.730 0.000 0.000 0.000 3/29160 510.0 2.277 2.850 2.674 0.000 0.000 0.000 3/29160 520.0 2.232 2.792 2.621 0.000 0.000 0.000 3/29160 530.0 2.189 2.737 2.569 0.000 0.000 0.000 3/29160 540.0 2.148 2.685 2.520 0.000 0.000 0.000 3/29160 550.0 2.108 2.634 2.473 0.000 0.000 0.000 3/29160 560.0 2.069 2.585 2.427 0.000 0.000 0.000 3/29160 570.0 2.032 2.538 2.383 0.000 0.000 0.000 3/29160 580.0 1.996 2.493 2.341 0.000 0.000 0.000 3/29160 590.0 1.962 2.449 2.300 0.000 0.000 0.000 3/29160 600.0 1.929 2.407 2.261 0.000 0.000 0.000 3/29160 610.0 1.897 2.366 2.223 0.000 0.000 0.000 3/29160 620.0 1.865 2.327 2.186 0.000 0.000 0.000 3/29160 630.0 1.835 2.289 2.151 0.000 0.000 0.000 3/29160 640.0 1.806 2.252 2.116 0.000 0.000 0.000 3/29160 650.0 1.778 2.216 2.083 0.000 0.000 0.000 3/29160 660.0 1.751 2.182 2.051 0.000 0.000 0.000 3/29160 670.0 1.724 2.148 2.019 0.000 0.000 0.000 3/29160 680.0 1.698 2.116 1.989 0.000 0.000 0.000 3/29160 690.0 1.674 2.084 1.960 0.000 0.000 0.000 3/29160 700.0 1.649 2.054 1.931 0.000 0.000 0.000 3/29160 710.0 1.626 2.024 1.903 0.000 0.000 0.000 3/29160 720.0 1.603 1.995 1.876 0.000 0.000 0.000 3/29160 730.0 1.581 1.968 1.850 0.000 0.000 0.000 3/29160 740.0 1.559 1.940 1.825 0.000 0.000 0.000 3/29160 750.0 1.538 1.914 1.800 0.000 0.000 0.000 3/29160 760.0 1.518 1.888 1.776 0.000 0.000 0.000 3/29160 770.0 1.498 1.863 1.753 0.000 0.000 0.000 3/29160 780.0 1.478 1.839 1.730 0.000 0.000 0.000 3/29160 790.0 1.459 1.815 1.708 0.000 0.000 0.000 3/29160 800.0 1.441 1.792 1.686 0.000 0.000 0.000 3/29160 810.0 1.423 1.770 1.665 0.000 0.000 0.000 3/29160 820.0 1.406 1.748 1.644 0.000 0.000 0.000 3/29160 830.0 1.388 1.726 1.624 0.000 0.000 0.000 3/29160 840.0 1.372 1.705 1.605 0.000 0.000 0.000 3/29160 850.0 1.356 1.685 1.585 0.000 0.000 0.000 3/29160 860.0 1.340 1.665 1.567 0.000 0.000 0.000 3/29160 870.0 1.324 1.646 1.549 0.000 0.000 0.000 3/29160 880.0 1.309 1.627 1.531 0.000 0.000 0.000 3/29160 890.0 1.294 1.608 1.513 0.000 0.000 0.000 3/29160 900.0 1.280 1.590 1.496 0.000 0.000 0.000 3/29160 910.0 1.266 1.572 1.480 0.000 0.000 0.000 3/29160 920.0 1.252 1.555 1.463 0.000 0.000 0.000 3/29160 930.0 1.238 1.538 1.448 0.000 0.000 0.000 3/29160 940.0 1.225 1.521 1.432 0.000 0.000 0.000 3/29160 950.0 1.212 1.505 1.417 0.000 0.000 0.000 3/29160 960.0 1.199 1.489 1.402 0.000 0.000 0.000 3/29160 970.0 1.187 1.474 1.387 0.000 0.000 0.000 3/29160 980.0 1.175 1.458 1.373 0.000 0.000 0.000 3/29160 990.0 1.163 1.444 1.359 0.000 0.000 0.000 3/29160 1000.0 1.151 1.429 1.345 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:18:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|