----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:13:04]------------------------- 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 5.225805980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924601550000000 Atomic positions (fractional): *1 O 0.19445741555387 0.93774714467325 0.19087195305854 15.999 2 O 0.30554258444613 0.06225285532675 0.69087195305854 15.999 3 O 0.69445741555387 0.56225285532675 0.30912804694146 15.999 4 O 0.80554258444613 0.43774714467325 0.80912804694146 15.999 5 O 0.80554258444613 0.06225285532675 0.80912804694146 15.999 6 O 0.69445741555387 0.93774714467325 0.30912804694146 15.999 7 O 0.30554258444613 0.43774714467325 0.69087195305854 15.999 8 O 0.19445741555387 0.56225285532675 0.19087195305854 15.999 *9 O 0.45482096469204 0.25000000000000 0.12204827725873 15.999 10 O 0.04517903530796 0.75000000000000 0.62204827725873 15.999 11 O 0.95482096469204 0.25000000000000 0.37795172274127 15.999 12 O 0.54517903530796 0.75000000000000 0.87795172274127 15.999 *13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 *17 Sc 0.42987115546031 0.75000000000000 0.47780911043218 44.956 18 Sc 0.07012884453969 0.25000000000000 0.97780911043218 44.956 19 Sc 0.92987115546031 0.75000000000000 0.02219088956782 44.956 20 Sc 0.57012884453969 0.25000000000000 0.52219088956782 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.225805980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924601550000000 Atomic positions (fractional): *1 O 0.19445741555387 0.93774714467325 0.19087195305854 15.999 > 1 2 O 0.30554258444613 0.06225285532675 0.69087195305854 15.999 > 2 3 O 0.69445741555387 0.56225285532675 0.30912804694146 15.999 > 3 4 O 0.80554258444613 0.43774714467325 0.80912804694146 15.999 > 4 5 O 0.80554258444613 0.06225285532675 0.80912804694146 15.999 > 5 6 O 0.69445741555387 0.93774714467325 0.30912804694146 15.999 > 6 7 O 0.30554258444613 0.43774714467325 0.69087195305854 15.999 > 7 8 O 0.19445741555387 0.56225285532675 0.19087195305854 15.999 > 8 *9 O 0.45482096469204 0.25000000000000 0.12204827725873 15.999 > 9 10 O 0.04517903530796 0.75000000000000 0.62204827725873 15.999 > 10 11 O 0.95482096469204 0.25000000000000 0.37795172274127 15.999 > 11 12 O 0.54517903530796 0.75000000000000 0.87795172274127 15.999 > 12 *13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 13 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 > 14 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 15 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 16 *17 Sc 0.42987115546031 0.75000000000000 0.47780911043218 44.956 > 17 18 Sc 0.07012884453969 0.25000000000000 0.97780911043218 44.956 > 18 19 Sc 0.92987115546031 0.75000000000000 0.02219088956782 44.956 > 19 20 Sc 0.57012884453969 0.25000000000000 0.52219088956782 44.956 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.451611959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.849203100000000 Atomic positions (fractional): *1 O 0.09722870777694 0.93774714467325 0.09543597652927 15.999 > 1 2 O 0.59722870777694 0.93774714467325 0.09543597652927 15.999 > 1 3 O 0.09722870777694 0.93774714467325 0.59543597652927 15.999 > 1 4 O 0.59722870777694 0.93774714467325 0.59543597652927 15.999 > 1 5 O 0.15277129222306 0.06225285532675 0.34543597652927 15.999 > 2 6 O 0.65277129222306 0.06225285532675 0.34543597652927 15.999 > 2 7 O 0.15277129222306 0.06225285532675 0.84543597652927 15.999 > 2 8 O 0.65277129222306 0.06225285532675 0.84543597652927 15.999 > 2 9 O 0.34722870777694 0.56225285532675 0.15456402347073 15.999 > 3 10 O 0.84722870777694 0.56225285532675 0.15456402347073 15.999 > 3 11 O 0.34722870777694 0.56225285532675 0.65456402347073 15.999 > 3 12 O 0.84722870777694 0.56225285532675 0.65456402347073 15.999 > 3 13 O 0.40277129222306 0.43774714467325 0.40456402347073 15.999 > 4 14 O 0.90277129222306 0.43774714467325 0.40456402347073 15.999 > 4 15 O 0.40277129222306 0.43774714467325 0.90456402347073 15.999 > 4 16 O 0.90277129222306 0.43774714467325 0.90456402347073 15.999 > 4 17 O 0.40277129222306 0.06225285532675 0.40456402347073 15.999 > 5 18 O 0.90277129222306 0.06225285532675 0.40456402347073 15.999 > 5 19 O 0.40277129222306 0.06225285532675 0.90456402347073 15.999 > 5 20 O 0.90277129222306 0.06225285532675 0.90456402347073 15.999 > 5 21 O 0.34722870777694 0.93774714467325 0.15456402347073 15.999 > 6 22 O 0.84722870777694 0.93774714467325 0.15456402347073 15.999 > 6 23 O 0.34722870777694 0.93774714467325 0.65456402347073 15.999 > 6 24 O 0.84722870777694 0.93774714467325 0.65456402347073 15.999 > 6 25 O 0.15277129222306 0.43774714467325 0.34543597652927 15.999 > 7 26 O 0.65277129222306 0.43774714467325 0.34543597652927 15.999 > 7 27 O 0.15277129222306 0.43774714467325 0.84543597652927 15.999 > 7 28 O 0.65277129222306 0.43774714467325 0.84543597652927 15.999 > 7 29 O 0.09722870777694 0.56225285532675 0.09543597652927 15.999 > 8 30 O 0.59722870777694 0.56225285532675 0.09543597652927 15.999 > 8 31 O 0.09722870777694 0.56225285532675 0.59543597652927 15.999 > 8 32 O 0.59722870777694 0.56225285532675 0.59543597652927 15.999 > 8 *33 O 0.22741048234602 0.25000000000000 0.06102413862936 15.999 > 9 34 O 0.72741048234602 0.25000000000000 0.06102413862936 15.999 > 9 35 O 0.22741048234602 0.25000000000000 0.56102413862936 15.999 > 9 36 O 0.72741048234602 0.25000000000000 0.56102413862936 15.999 > 9 37 O 0.02258951765398 0.75000000000000 0.31102413862936 15.999 > 10 38 O 0.52258951765398 0.75000000000000 0.31102413862936 15.999 > 10 39 O 0.02258951765398 0.75000000000000 0.81102413862936 15.999 > 10 40 O 0.52258951765398 0.75000000000000 0.81102413862936 15.999 > 10 41 O 0.47741048234602 0.25000000000000 0.18897586137064 15.999 > 11 42 O 0.97741048234602 0.25000000000000 0.18897586137064 15.999 > 11 43 O 0.47741048234602 0.25000000000000 0.68897586137064 15.999 > 11 44 O 0.97741048234602 0.25000000000000 0.68897586137064 15.999 > 11 45 O 0.27258951765398 0.75000000000000 0.43897586137064 15.999 > 12 46 O 0.77258951765398 0.75000000000000 0.43897586137064 15.999 > 12 47 O 0.27258951765398 0.75000000000000 0.93897586137064 15.999 > 12 48 O 0.77258951765398 0.75000000000000 0.93897586137064 15.999 > 12 *49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 13 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 13 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 13 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 13 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 14 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 14 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 14 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 14 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 15 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 15 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 15 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 15 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 16 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 16 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 16 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 16 *65 Sc 0.21493557773016 0.75000000000000 0.23890455521609 44.956 > 17 66 Sc 0.71493557773016 0.75000000000000 0.23890455521609 44.956 > 17 67 Sc 0.21493557773016 0.75000000000000 0.73890455521609 44.956 > 17 68 Sc 0.71493557773016 0.75000000000000 0.73890455521609 44.956 > 17 69 Sc 0.03506442226984 0.25000000000000 0.48890455521609 44.956 > 18 70 Sc 0.53506442226984 0.25000000000000 0.48890455521609 44.956 > 18 71 Sc 0.03506442226984 0.25000000000000 0.98890455521609 44.956 > 18 72 Sc 0.53506442226984 0.25000000000000 0.98890455521609 44.956 > 18 73 Sc 0.46493557773016 0.75000000000000 0.01109544478391 44.956 > 19 74 Sc 0.96493557773016 0.75000000000000 0.01109544478391 44.956 > 19 75 Sc 0.46493557773016 0.75000000000000 0.51109544478391 44.956 > 19 76 Sc 0.96493557773016 0.75000000000000 0.51109544478391 44.956 > 19 77 Sc 0.28506442226984 0.25000000000000 0.26109544478391 44.956 > 20 78 Sc 0.78506442226984 0.25000000000000 0.26109544478391 44.956 > 20 79 Sc 0.28506442226984 0.25000000000000 0.76109544478391 44.956 > 20 80 Sc 0.78506442226984 0.25000000000000 0.76109544478391 44.956 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5004766 0.0000000 0.0000000 0.0000000 4.3030154 0.0000000 0.0000000 0.0000000 4.5725256 -------------------------- Born effective charges -------------------------- 1 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 2 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 3 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 4 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 5 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 6 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 7 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 8 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 9 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 10 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 11 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 12 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 13 Al 2.9889054 -0.0655077 0.3428506 0.0357963 2.9632905 0.2561890 0.0512966 -0.1396456 2.9135069 14 Al 2.9889054 -0.0655077 -0.3428506 0.0357963 2.9632905 -0.2561890 -0.0512966 0.1396456 2.9135069 15 Al 2.9889054 0.0655077 -0.3428506 -0.0357963 2.9632905 0.2561890 -0.0512966 -0.1396456 2.9135069 16 Al 2.9889054 0.0655077 0.3428506 -0.0357963 2.9632905 -0.2561890 0.0512966 0.1396456 2.9135069 17 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 18 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 19 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 20 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 ---------------------------------------------------------------------------- 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: 0.744 Solver_block: 200 / 320 - Time: 0.744 Solver_block: 300 / 320 - Time: 0.742 Solver_block: 320 / 320 - Time: 0.187 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.433 --------------------------------- 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 20:13:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:13:17]------------------------- 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 5.225805980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924601550000000 Atomic positions (fractional): 1 O 0.19445741555387 0.93774714467325 0.19087195305854 15.999 2 O 0.30554258444613 0.06225285532675 0.69087195305854 15.999 3 O 0.69445741555387 0.56225285532675 0.30912804694146 15.999 4 O 0.80554258444613 0.43774714467325 0.80912804694146 15.999 5 O 0.80554258444613 0.06225285532675 0.80912804694146 15.999 6 O 0.69445741555387 0.93774714467325 0.30912804694146 15.999 7 O 0.30554258444613 0.43774714467325 0.69087195305854 15.999 8 O 0.19445741555387 0.56225285532675 0.19087195305854 15.999 9 O 0.45482096469204 0.25000000000000 0.12204827725873 15.999 10 O 0.04517903530796 0.75000000000000 0.62204827725873 15.999 11 O 0.95482096469204 0.25000000000000 0.37795172274127 15.999 12 O 0.54517903530796 0.75000000000000 0.87795172274127 15.999 13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 17 Sc 0.42987115546031 0.75000000000000 0.47780911043218 44.956 18 Sc 0.07012884453969 0.25000000000000 0.97780911043218 44.956 19 Sc 0.92987115546031 0.75000000000000 0.02219088956782 44.956 20 Sc 0.57012884453969 0.25000000000000 0.52219088956782 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.451611959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.849203100000000 Atomic positions (fractional): 1 O 0.09722870777694 0.93774714467325 0.09543597652927 15.999 > 1 2 O 0.59722870777694 0.93774714467325 0.09543597652927 15.999 > 1 3 O 0.09722870777694 0.93774714467325 0.59543597652927 15.999 > 1 4 O 0.59722870777694 0.93774714467325 0.59543597652927 15.999 > 1 5 O 0.15277129222306 0.06225285532675 0.34543597652927 15.999 > 5 6 O 0.65277129222306 0.06225285532675 0.34543597652927 15.999 > 5 7 O 0.15277129222306 0.06225285532675 0.84543597652927 15.999 > 5 8 O 0.65277129222306 0.06225285532675 0.84543597652927 15.999 > 5 9 O 0.34722870777694 0.56225285532675 0.15456402347073 15.999 > 9 10 O 0.84722870777694 0.56225285532675 0.15456402347073 15.999 > 9 11 O 0.34722870777694 0.56225285532675 0.65456402347073 15.999 > 9 12 O 0.84722870777694 0.56225285532675 0.65456402347073 15.999 > 9 13 O 0.40277129222306 0.43774714467325 0.40456402347073 15.999 > 13 14 O 0.90277129222306 0.43774714467325 0.40456402347073 15.999 > 13 15 O 0.40277129222306 0.43774714467325 0.90456402347073 15.999 > 13 16 O 0.90277129222306 0.43774714467325 0.90456402347073 15.999 > 13 17 O 0.40277129222306 0.06225285532675 0.40456402347073 15.999 > 17 18 O 0.90277129222306 0.06225285532675 0.40456402347073 15.999 > 17 19 O 0.40277129222306 0.06225285532675 0.90456402347073 15.999 > 17 20 O 0.90277129222306 0.06225285532675 0.90456402347073 15.999 > 17 21 O 0.34722870777694 0.93774714467325 0.15456402347073 15.999 > 21 22 O 0.84722870777694 0.93774714467325 0.15456402347073 15.999 > 21 23 O 0.34722870777694 0.93774714467325 0.65456402347073 15.999 > 21 24 O 0.84722870777694 0.93774714467325 0.65456402347073 15.999 > 21 25 O 0.15277129222306 0.43774714467325 0.34543597652927 15.999 > 25 26 O 0.65277129222306 0.43774714467325 0.34543597652927 15.999 > 25 27 O 0.15277129222306 0.43774714467325 0.84543597652927 15.999 > 25 28 O 0.65277129222306 0.43774714467325 0.84543597652927 15.999 > 25 29 O 0.09722870777694 0.56225285532675 0.09543597652927 15.999 > 29 30 O 0.59722870777694 0.56225285532675 0.09543597652927 15.999 > 29 31 O 0.09722870777694 0.56225285532675 0.59543597652927 15.999 > 29 32 O 0.59722870777694 0.56225285532675 0.59543597652927 15.999 > 29 33 O 0.22741048234602 0.25000000000000 0.06102413862936 15.999 > 33 34 O 0.72741048234602 0.25000000000000 0.06102413862936 15.999 > 33 35 O 0.22741048234602 0.25000000000000 0.56102413862936 15.999 > 33 36 O 0.72741048234602 0.25000000000000 0.56102413862936 15.999 > 33 37 O 0.02258951765398 0.75000000000000 0.31102413862936 15.999 > 37 38 O 0.52258951765398 0.75000000000000 0.31102413862936 15.999 > 37 39 O 0.02258951765398 0.75000000000000 0.81102413862936 15.999 > 37 40 O 0.52258951765398 0.75000000000000 0.81102413862936 15.999 > 37 41 O 0.47741048234602 0.25000000000000 0.18897586137064 15.999 > 41 42 O 0.97741048234602 0.25000000000000 0.18897586137064 15.999 > 41 43 O 0.47741048234602 0.25000000000000 0.68897586137064 15.999 > 41 44 O 0.97741048234602 0.25000000000000 0.68897586137064 15.999 > 41 45 O 0.27258951765398 0.75000000000000 0.43897586137064 15.999 > 45 46 O 0.77258951765398 0.75000000000000 0.43897586137064 15.999 > 45 47 O 0.27258951765398 0.75000000000000 0.93897586137064 15.999 > 45 48 O 0.77258951765398 0.75000000000000 0.93897586137064 15.999 > 45 49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 61 65 Sc 0.21493557773016 0.75000000000000 0.23890455521609 44.956 > 65 66 Sc 0.71493557773016 0.75000000000000 0.23890455521609 44.956 > 65 67 Sc 0.21493557773016 0.75000000000000 0.73890455521609 44.956 > 65 68 Sc 0.71493557773016 0.75000000000000 0.73890455521609 44.956 > 65 69 Sc 0.03506442226984 0.25000000000000 0.48890455521609 44.956 > 69 70 Sc 0.53506442226984 0.25000000000000 0.48890455521609 44.956 > 69 71 Sc 0.03506442226984 0.25000000000000 0.98890455521609 44.956 > 69 72 Sc 0.53506442226984 0.25000000000000 0.98890455521609 44.956 > 69 73 Sc 0.46493557773016 0.75000000000000 0.01109544478391 44.956 > 73 74 Sc 0.96493557773016 0.75000000000000 0.01109544478391 44.956 > 73 75 Sc 0.46493557773016 0.75000000000000 0.51109544478391 44.956 > 73 76 Sc 0.96493557773016 0.75000000000000 0.51109544478391 44.956 > 73 77 Sc 0.28506442226984 0.25000000000000 0.26109544478391 44.956 > 77 78 Sc 0.78506442226984 0.25000000000000 0.26109544478391 44.956 > 77 79 Sc 0.28506442226984 0.25000000000000 0.76109544478391 44.956 > 77 80 Sc 0.78506442226984 0.25000000000000 0.76109544478391 44.956 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5004766 0.0000000 0.0000000 0.0000000 4.3030154 0.0000000 0.0000000 0.0000000 4.5725256 -------------------------- Born effective charges -------------------------- 1 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 2 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 3 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 4 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 5 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 6 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 7 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 8 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 9 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 10 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 11 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 12 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 13 Al 2.9889054 -0.0655077 0.3428506 0.0357963 2.9632905 0.2561890 0.0512966 -0.1396456 2.9135069 14 Al 2.9889054 -0.0655077 -0.3428506 0.0357963 2.9632905 -0.2561890 -0.0512966 0.1396456 2.9135069 15 Al 2.9889054 0.0655077 -0.3428506 -0.0357963 2.9632905 0.2561890 -0.0512966 -0.1396456 2.9135069 16 Al 2.9889054 0.0655077 0.3428506 -0.0357963 2.9632905 -0.2561890 0.0512966 0.1396456 2.9135069 17 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 18 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 19 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 20 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 ---------------------------------------------------------------------------- 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: 0.00000004 (xz) 0.00000004 (xz) 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 20:13:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:13:27]------------------------- 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 5.225805980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.924601550000000 Atomic positions (fractional): 1 O 0.19445741555387 0.93774714467325 0.19087195305854 15.999 2 O 0.30554258444613 0.06225285532675 0.69087195305854 15.999 3 O 0.69445741555387 0.56225285532675 0.30912804694146 15.999 4 O 0.80554258444613 0.43774714467325 0.80912804694146 15.999 5 O 0.80554258444613 0.06225285532675 0.80912804694146 15.999 6 O 0.69445741555387 0.93774714467325 0.30912804694146 15.999 7 O 0.30554258444613 0.43774714467325 0.69087195305854 15.999 8 O 0.19445741555387 0.56225285532675 0.19087195305854 15.999 9 O 0.45482096469204 0.25000000000000 0.12204827725873 15.999 10 O 0.04517903530796 0.75000000000000 0.62204827725873 15.999 11 O 0.95482096469204 0.25000000000000 0.37795172274127 15.999 12 O 0.54517903530796 0.75000000000000 0.87795172274127 15.999 13 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 14 Al 0.50000000000000 0.00000000000000 0.00000000000000 26.982 15 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 16 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 17 Sc 0.42987115546031 0.75000000000000 0.47780911043218 44.956 18 Sc 0.07012884453969 0.25000000000000 0.97780911043218 44.956 19 Sc 0.92987115546031 0.75000000000000 0.02219088956782 44.956 20 Sc 0.57012884453969 0.25000000000000 0.52219088956782 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.451611959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.209352590000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.849203100000000 Atomic positions (fractional): 1 O 0.09722870777694 0.93774714467325 0.09543597652927 15.999 > 1 2 O 0.59722870777694 0.93774714467325 0.09543597652927 15.999 > 1 3 O 0.09722870777694 0.93774714467325 0.59543597652927 15.999 > 1 4 O 0.59722870777694 0.93774714467325 0.59543597652927 15.999 > 1 5 O 0.15277129222306 0.06225285532675 0.34543597652927 15.999 > 5 6 O 0.65277129222306 0.06225285532675 0.34543597652927 15.999 > 5 7 O 0.15277129222306 0.06225285532675 0.84543597652927 15.999 > 5 8 O 0.65277129222306 0.06225285532675 0.84543597652927 15.999 > 5 9 O 0.34722870777694 0.56225285532675 0.15456402347073 15.999 > 9 10 O 0.84722870777694 0.56225285532675 0.15456402347073 15.999 > 9 11 O 0.34722870777694 0.56225285532675 0.65456402347073 15.999 > 9 12 O 0.84722870777694 0.56225285532675 0.65456402347073 15.999 > 9 13 O 0.40277129222306 0.43774714467325 0.40456402347073 15.999 > 13 14 O 0.90277129222306 0.43774714467325 0.40456402347073 15.999 > 13 15 O 0.40277129222306 0.43774714467325 0.90456402347073 15.999 > 13 16 O 0.90277129222306 0.43774714467325 0.90456402347073 15.999 > 13 17 O 0.40277129222306 0.06225285532675 0.40456402347073 15.999 > 17 18 O 0.90277129222306 0.06225285532675 0.40456402347073 15.999 > 17 19 O 0.40277129222306 0.06225285532675 0.90456402347073 15.999 > 17 20 O 0.90277129222306 0.06225285532675 0.90456402347073 15.999 > 17 21 O 0.34722870777694 0.93774714467325 0.15456402347073 15.999 > 21 22 O 0.84722870777694 0.93774714467325 0.15456402347073 15.999 > 21 23 O 0.34722870777694 0.93774714467325 0.65456402347073 15.999 > 21 24 O 0.84722870777694 0.93774714467325 0.65456402347073 15.999 > 21 25 O 0.15277129222306 0.43774714467325 0.34543597652927 15.999 > 25 26 O 0.65277129222306 0.43774714467325 0.34543597652927 15.999 > 25 27 O 0.15277129222306 0.43774714467325 0.84543597652927 15.999 > 25 28 O 0.65277129222306 0.43774714467325 0.84543597652927 15.999 > 25 29 O 0.09722870777694 0.56225285532675 0.09543597652927 15.999 > 29 30 O 0.59722870777694 0.56225285532675 0.09543597652927 15.999 > 29 31 O 0.09722870777694 0.56225285532675 0.59543597652927 15.999 > 29 32 O 0.59722870777694 0.56225285532675 0.59543597652927 15.999 > 29 33 O 0.22741048234602 0.25000000000000 0.06102413862936 15.999 > 33 34 O 0.72741048234602 0.25000000000000 0.06102413862936 15.999 > 33 35 O 0.22741048234602 0.25000000000000 0.56102413862936 15.999 > 33 36 O 0.72741048234602 0.25000000000000 0.56102413862936 15.999 > 33 37 O 0.02258951765398 0.75000000000000 0.31102413862936 15.999 > 37 38 O 0.52258951765398 0.75000000000000 0.31102413862936 15.999 > 37 39 O 0.02258951765398 0.75000000000000 0.81102413862936 15.999 > 37 40 O 0.52258951765398 0.75000000000000 0.81102413862936 15.999 > 37 41 O 0.47741048234602 0.25000000000000 0.18897586137064 15.999 > 41 42 O 0.97741048234602 0.25000000000000 0.18897586137064 15.999 > 41 43 O 0.47741048234602 0.25000000000000 0.68897586137064 15.999 > 41 44 O 0.97741048234602 0.25000000000000 0.68897586137064 15.999 > 41 45 O 0.27258951765398 0.75000000000000 0.43897586137064 15.999 > 45 46 O 0.77258951765398 0.75000000000000 0.43897586137064 15.999 > 45 47 O 0.27258951765398 0.75000000000000 0.93897586137064 15.999 > 45 48 O 0.77258951765398 0.75000000000000 0.93897586137064 15.999 > 45 49 Al 0.00000000000000 0.00000000000000 0.25000000000000 26.982 > 49 50 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 49 51 Al 0.00000000000000 0.00000000000000 0.75000000000000 26.982 > 49 52 Al 0.50000000000000 0.00000000000000 0.75000000000000 26.982 > 49 53 Al 0.25000000000000 0.00000000000000 0.00000000000000 26.982 > 53 54 Al 0.75000000000000 0.00000000000000 0.00000000000000 26.982 > 53 55 Al 0.25000000000000 0.00000000000000 0.50000000000000 26.982 > 53 56 Al 0.75000000000000 0.00000000000000 0.50000000000000 26.982 > 53 57 Al 0.25000000000000 0.50000000000000 0.00000000000000 26.982 > 57 58 Al 0.75000000000000 0.50000000000000 0.00000000000000 26.982 > 57 59 Al 0.25000000000000 0.50000000000000 0.50000000000000 26.982 > 57 60 Al 0.75000000000000 0.50000000000000 0.50000000000000 26.982 > 57 61 Al 0.00000000000000 0.50000000000000 0.25000000000000 26.982 > 61 62 Al 0.50000000000000 0.50000000000000 0.25000000000000 26.982 > 61 63 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 61 64 Al 0.50000000000000 0.50000000000000 0.75000000000000 26.982 > 61 65 Sc 0.21493557773016 0.75000000000000 0.23890455521609 44.956 > 65 66 Sc 0.71493557773016 0.75000000000000 0.23890455521609 44.956 > 65 67 Sc 0.21493557773016 0.75000000000000 0.73890455521609 44.956 > 65 68 Sc 0.71493557773016 0.75000000000000 0.73890455521609 44.956 > 65 69 Sc 0.03506442226984 0.25000000000000 0.48890455521609 44.956 > 69 70 Sc 0.53506442226984 0.25000000000000 0.48890455521609 44.956 > 69 71 Sc 0.03506442226984 0.25000000000000 0.98890455521609 44.956 > 69 72 Sc 0.53506442226984 0.25000000000000 0.98890455521609 44.956 > 69 73 Sc 0.46493557773016 0.75000000000000 0.01109544478391 44.956 > 73 74 Sc 0.96493557773016 0.75000000000000 0.01109544478391 44.956 > 73 75 Sc 0.46493557773016 0.75000000000000 0.51109544478391 44.956 > 73 76 Sc 0.96493557773016 0.75000000000000 0.51109544478391 44.956 > 73 77 Sc 0.28506442226984 0.25000000000000 0.26109544478391 44.956 > 77 78 Sc 0.78506442226984 0.25000000000000 0.26109544478391 44.956 > 77 79 Sc 0.28506442226984 0.25000000000000 0.76109544478391 44.956 > 77 80 Sc 0.78506442226984 0.25000000000000 0.76109544478391 44.956 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5004766 0.0000000 0.0000000 0.0000000 4.3030154 0.0000000 0.0000000 0.0000000 4.5725256 -------------------------- Born effective charges -------------------------- 1 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 2 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 3 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 4 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 5 O -2.3934918 -0.1170801 -0.0357560 -0.1423288 -2.1374657 0.1200979 -0.0856170 0.1332667 -2.2087119 6 O -2.3934918 -0.1170801 0.0357560 -0.1423288 -2.1374657 -0.1200979 0.0856170 -0.1332667 -2.2087119 7 O -2.3934918 0.1170801 0.0357560 0.1423288 -2.1374657 0.1200979 0.0856170 0.1332667 -2.2087119 8 O -2.3934918 0.1170801 -0.0357560 0.1423288 -2.1374657 -0.1200979 -0.0856170 -0.1332667 -2.2087119 9 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 10 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 11 O -2.1747214 0.0000000 0.4873881 0.0000000 -2.1620054 0.0000000 0.5390760 0.0000000 -2.5540788 12 O -2.1747214 0.0000000 -0.4873881 0.0000000 -2.1620054 0.0000000 -0.5390760 0.0000000 -2.5540788 13 Al 2.9889054 -0.0655077 0.3428506 0.0357963 2.9632905 0.2561890 0.0512966 -0.1396456 2.9135069 14 Al 2.9889054 -0.0655077 -0.3428506 0.0357963 2.9632905 -0.2561890 -0.0512966 0.1396456 2.9135069 15 Al 2.9889054 0.0655077 -0.3428506 -0.0357963 2.9632905 0.2561890 -0.0512966 -0.1396456 2.9135069 16 Al 2.9889054 0.0655077 0.3428506 -0.0357963 2.9632905 -0.2561890 0.0512966 0.1396456 2.9135069 17 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 18 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 19 Sc 3.9727995 0.0000000 -0.1522715 0.0000000 3.4736462 0.0000000 0.2315026 0.0000000 4.0579957 20 Sc 3.9727995 0.0000000 0.1522715 0.0000000 3.4736462 0.0000000 -0.2315026 0.0000000 4.0579957 ---------------------------------------------------------------------------- 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 ... [ 10 7 10 ] 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: 0.73, Number of G-points: 307, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 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 4.304 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.365 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 9.226 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 10.037 ( 0.000 0.000 0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 11.228 ( 0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 0.000) 0.000 11.671 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.346 ( 0.000 0.000 0.000) 0.000 12.363 ( 0.000 0.000 0.000) 0.000 12.372 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 13.555 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.414 ( 0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.688 ( 0.000 0.000 0.000) 0.000 14.737 ( 0.000 0.000 0.000) 0.000 14.914 ( 0.000 0.000 0.000) 0.000 14.921 ( 0.000 0.000 0.000) 0.000 15.132 ( 0.000 0.000 0.000) 0.000 16.134 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.985 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.314 ( 0.000 0.000 0.000) 0.000 17.521 ( 0.000 0.000 0.000) 0.000 18.143 ( 0.000 0.000 0.000) 0.000 18.447 ( 0.000 0.000 0.000) 0.000 18.544 ( 0.000 0.000 0.000) 0.000 18.725 ( 0.000 0.000 0.000) 0.000 19.250 ( 0.000 0.000 0.000) 0.000 19.662 ( 0.000 0.000 0.000) 0.000 20.135 ( 0.000 0.000 0.000) 0.000 20.183 ( 0.000 0.000 0.000) 0.000 20.554 ( 0.000 0.000 0.000) 0.000 20.984 ( 0.000 0.000 0.000) 0.000 21.269 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.10 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 51.100 0.000 0.000) 51.100 1.163 ( 60.385 0.000 0.000) 60.385 1.932 ( 99.605 0.000 0.000) 99.605 4.376 ( 7.296 0.000 0.000) 7.296 6.167 ( 6.819 0.000 0.000) 6.819 6.199 ( -9.148 0.000 0.000) 9.148 6.307 ( -10.012 0.000 0.000) 10.012 6.436 ( -0.780 0.000 0.000) 0.780 6.566 ( -2.183 0.000 0.000) 2.183 6.605 ( -5.369 0.000 0.000) 5.369 6.988 ( 2.744 0.000 0.000) 2.744 7.052 ( -0.168 0.000 0.000) 0.168 7.341 ( -2.781 0.000 0.000) 2.781 7.946 ( 11.078 0.000 0.000) 11.078 8.310 ( -12.728 0.000 0.000) 12.728 9.215 ( -14.329 0.000 0.000) 14.329 9.746 ( 20.031 0.000 0.000) 20.031 10.020 ( -2.195 0.000 0.000) 2.195 10.187 ( -20.895 0.000 0.000) 20.895 10.260 ( -12.859 0.000 0.000) 12.859 10.306 ( 0.184 0.000 0.000) 0.184 10.480 ( 5.661 0.000 0.000) 5.661 11.147 ( -9.111 0.000 0.000) 9.111 11.492 ( 17.856 0.000 0.000) 17.856 11.586 ( -7.685 0.000 0.000) 7.685 11.909 ( 3.406 0.000 0.000) 3.406 11.911 ( -0.917 0.000 0.000) 0.917 12.065 ( -15.875 0.000 0.000) 15.875 12.190 ( -8.219 0.000 0.000) 8.219 12.564 ( 10.211 0.000 0.000) 10.211 12.755 ( 17.698 0.000 0.000) 17.698 13.613 ( 6.676 0.000 0.000) 6.676 13.742 ( 7.350 0.000 0.000) 7.350 13.945 ( -1.511 0.000 0.000) 1.511 13.996 ( -3.960 0.000 0.000) 3.960 14.222 ( 7.693 0.000 0.000) 7.693 14.536 ( 9.967 0.000 0.000) 9.967 14.598 ( -10.218 0.000 0.000) 10.218 14.799 ( 10.917 0.000 0.000) 10.917 14.934 ( 1.869 0.000 0.000) 1.869 15.127 ( 17.122 0.000 0.000) 17.122 15.136 ( 0.274 0.000 0.000) 0.274 16.090 ( -4.240 0.000 0.000) 4.240 16.128 ( -17.740 0.000 0.000) 17.740 16.765 ( -6.428 0.000 0.000) 6.428 17.054 ( 3.360 0.000 0.000) 3.360 17.069 ( 2.220 0.000 0.000) 2.220 17.555 ( 3.341 0.000 0.000) 3.341 17.811 ( -16.300 0.000 0.000) 16.300 18.415 ( -15.887 0.000 0.000) 15.887 18.636 ( -4.516 0.000 0.000) 4.516 18.644 ( 0.762 0.000 0.000) 0.762 18.784 ( 20.004 0.000 0.000) 20.004 19.586 ( -7.883 0.000 0.000) 7.883 20.108 ( -4.905 0.000 0.000) 4.905 20.308 ( 15.623 0.000 0.000) 15.623 20.368 ( -15.250 0.000 0.000) 15.250 21.177 ( 15.973 0.000 0.000) 15.973 21.284 ( 1.527 0.000 0.000) 1.527 23.725 ( -4.850 0.000 0.000) 4.850 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.20 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 49.303 0.000 0.000) 49.303 2.301 ( 58.242 0.000 0.000) 58.242 3.778 ( 92.015 0.000 0.000) 92.015 4.565 ( 11.787 0.000 0.000) 11.787 5.973 ( -13.207 0.000 0.000) 13.207 6.043 ( -17.441 0.000 0.000) 17.441 6.168 ( -10.879 0.000 0.000) 10.879 6.429 ( 0.305 0.000 0.000) 0.305 6.508 ( -2.840 0.000 0.000) 2.840 6.535 ( 0.118 0.000 0.000) 0.118 7.055 ( 0.627 0.000 0.000) 0.627 7.056 ( 3.893 0.000 0.000) 3.893 7.238 ( -8.734 0.000 0.000) 8.734 8.194 ( 2.879 0.000 0.000) 2.879 8.212 ( 14.477 0.000 0.000) 14.477 8.833 ( -23.192 0.000 0.000) 23.192 9.689 ( -25.950 0.000 0.000) 25.950 9.923 ( -8.667 0.000 0.000) 8.667 10.050 ( -11.094 0.000 0.000) 11.094 10.129 ( 18.274 0.000 0.000) 18.274 10.329 ( 2.679 0.000 0.000) 2.679 10.648 ( 10.503 0.000 0.000) 10.503 11.012 ( -3.917 0.000 0.000) 3.917 11.439 ( -6.251 0.000 0.000) 6.251 11.707 ( 3.580 0.000 0.000) 3.580 11.796 ( -11.890 0.000 0.000) 11.890 11.825 ( -8.443 0.000 0.000) 8.443 12.043 ( -7.359 0.000 0.000) 7.359 12.049 ( 10.819 0.000 0.000) 10.819 12.721 ( 4.032 0.000 0.000) 4.032 13.079 ( 16.096 0.000 0.000) 16.096 13.745 ( 7.015 0.000 0.000) 7.015 13.886 ( -4.192 0.000 0.000) 4.192 13.945 ( 13.326 0.000 0.000) 13.326 13.954 ( 0.826 0.000 0.000) 0.826 14.381 ( -12.200 0.000 0.000) 12.200 14.395 ( 7.947 0.000 0.000) 7.947 14.749 ( 11.340 0.000 0.000) 11.340 14.978 ( 2.848 0.000 0.000) 2.848 15.063 ( 14.827 0.000 0.000) 14.827 15.130 ( -1.518 0.000 0.000) 1.518 15.544 ( 26.326 0.000 0.000) 26.326 15.792 ( -14.818 0.000 0.000) 14.818 15.999 ( -4.158 0.000 0.000) 4.158 16.584 ( -12.687 0.000 0.000) 12.687 16.861 ( -21.492 0.000 0.000) 21.492 17.165 ( 9.359 0.000 0.000) 9.359 17.637 ( 4.861 0.000 0.000) 4.861 17.786 ( 11.515 0.000 0.000) 11.515 18.001 ( -24.865 0.000 0.000) 24.865 18.575 ( -2.769 0.000 0.000) 2.769 18.682 ( 3.521 0.000 0.000) 3.521 19.086 ( 10.929 0.000 0.000) 10.929 19.364 ( -15.090 0.000 0.000) 15.090 19.967 ( -9.932 0.000 0.000) 9.932 20.038 ( -18.824 0.000 0.000) 18.824 20.644 ( 17.924 0.000 0.000) 17.924 21.322 ( 2.241 0.000 0.000) 2.241 21.526 ( 20.072 0.000 0.000) 20.072 23.589 ( -9.311 0.000 0.000) 9.311 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.30 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 46.278 0.000 0.000) 46.278 3.374 ( 53.103 0.000 0.000) 53.103 4.781 ( 9.056 0.000 0.000) 9.056 5.361 ( 68.604 0.000 0.000) 68.604 5.643 ( -24.262 0.000 0.000) 24.262 5.758 ( -7.160 0.000 0.000) 7.160 5.854 ( -17.638 0.000 0.000) 17.638 6.451 ( 1.937 0.000 0.000) 1.937 6.510 ( -4.734 0.000 0.000) 4.734 6.519 ( 6.157 0.000 0.000) 6.157 6.980 ( -18.626 0.000 0.000) 18.626 7.094 ( 4.996 0.000 0.000) 4.996 7.114 ( 1.255 0.000 0.000) 1.255 8.178 ( -22.011 0.000 0.000) 22.011 8.411 ( 17.623 0.000 0.000) 17.623 8.687 ( 13.510 0.000 0.000) 13.510 9.272 ( -15.544 0.000 0.000) 15.544 9.696 ( -14.137 0.000 0.000) 14.137 9.835 ( -11.425 0.000 0.000) 11.425 10.411 ( 5.439 0.000 0.000) 5.439 10.413 ( 11.117 0.000 0.000) 11.117 10.849 ( 9.912 0.000 0.000) 9.912 10.990 ( 0.209 0.000 0.000) 0.209 11.375 ( -0.469 0.000 0.000) 0.469 11.546 ( -21.850 0.000 0.000) 21.850 11.618 ( -6.747 0.000 0.000) 6.747 11.711 ( -1.197 0.000 0.000) 1.197 11.935 ( -3.460 0.000 0.000) 3.460 12.231 ( 6.702 0.000 0.000) 6.702 12.638 ( -12.429 0.000 0.000) 12.429 13.376 ( 15.133 0.000 0.000) 15.133 13.802 ( -4.206 0.000 0.000) 4.206 13.940 ( 15.008 0.000 0.000) 15.008 14.054 ( 9.605 0.000 0.000) 9.605 14.099 ( -9.473 0.000 0.000) 9.473 14.274 ( 13.119 0.000 0.000) 13.119 14.439 ( -4.233 0.000 0.000) 4.233 14.962 ( 10.978 0.000 0.000) 10.978 15.042 ( 2.709 0.000 0.000) 2.709 15.056 ( -6.438 0.000 0.000) 6.438 15.279 ( 5.780 0.000 0.000) 5.780 15.615 ( -3.820 0.000 0.000) 3.820 15.983 ( 3.935 0.000 0.000) 3.935 16.118 ( 33.019 0.000 0.000) 33.019 16.287 ( -17.414 0.000 0.000) 17.414 16.410 ( -23.625 0.000 0.000) 23.625 17.449 ( 20.621 0.000 0.000) 20.621 17.509 ( -25.989 0.000 0.000) 25.989 17.720 ( 3.018 0.000 0.000) 3.018 18.100 ( 19.379 0.000 0.000) 19.379 18.519 ( -3.054 0.000 0.000) 3.054 18.783 ( 6.911 0.000 0.000) 6.911 19.022 ( -20.003 0.000 0.000) 20.003 19.194 ( 0.287 0.000 0.000) 0.287 19.656 ( -20.652 0.000 0.000) 20.652 19.729 ( -14.782 0.000 0.000) 14.782 20.959 ( 14.553 0.000 0.000) 14.553 21.361 ( 1.587 0.000 0.000) 1.587 21.931 ( 21.811 0.000 0.000) 21.811 23.372 ( -13.219 0.000 0.000) 13.219 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.40 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 42.063 0.000 0.000) 42.063 4.278 ( 38.660 0.000 0.000) 38.660 4.855 ( -1.387 0.000 0.000) 1.387 5.116 ( -30.800 0.000 0.000) 30.800 5.621 ( -3.376 0.000 0.000) 3.376 5.758 ( 6.438 0.000 0.000) 6.438 6.188 ( 21.317 0.000 0.000) 21.317 6.352 ( -11.005 0.000 0.000) 11.005 6.491 ( 1.616 0.000 0.000) 1.616 6.531 ( -26.994 0.000 0.000) 26.994 6.719 ( 7.949 0.000 0.000) 7.949 7.044 ( -9.812 0.000 0.000) 9.812 7.382 ( 23.851 0.000 0.000) 23.851 7.806 ( -12.162 0.000 0.000) 12.162 8.779 ( 19.264 0.000 0.000) 19.264 9.007 ( 17.383 0.000 0.000) 17.383 9.225 ( 15.453 0.000 0.000) 15.453 9.413 ( -14.989 0.000 0.000) 14.989 9.603 ( -13.091 0.000 0.000) 13.091 10.516 ( 4.942 0.000 0.000) 4.942 10.556 ( 4.067 0.000 0.000) 4.067 10.787 ( -35.022 0.000 0.000) 35.022 11.010 ( 6.575 0.000 0.000) 6.575 11.146 ( -6.989 0.000 0.000) 6.989 11.405 ( 2.990 0.000 0.000) 2.990 11.527 ( -3.324 0.000 0.000) 3.324 11.710 ( 1.886 0.000 0.000) 1.886 11.885 ( -3.123 0.000 0.000) 3.123 12.296 ( 0.543 0.000 0.000) 0.543 12.376 ( -10.802 0.000 0.000) 10.802 13.666 ( 15.216 0.000 0.000) 15.216 13.741 ( -1.764 0.000 0.000) 1.764 13.890 ( -9.406 0.000 0.000) 9.406 14.260 ( -13.214 0.000 0.000) 13.214 14.300 ( 15.156 0.000 0.000) 15.156 14.315 ( 22.896 0.000 0.000) 22.896 14.577 ( 15.845 0.000 0.000) 15.845 14.885 ( -11.118 0.000 0.000) 11.118 15.023 ( -5.316 0.000 0.000) 5.316 15.118 ( -2.204 0.000 0.000) 2.204 15.292 ( 2.821 0.000 0.000) 2.821 15.597 ( -0.098 0.000 0.000) 0.098 15.982 ( -12.691 0.000 0.000) 12.691 16.001 ( -17.827 0.000 0.000) 17.827 16.178 ( 16.008 0.000 0.000) 16.008 16.766 ( 32.161 0.000 0.000) 32.161 17.025 ( -22.977 0.000 0.000) 22.977 17.700 ( -7.235 0.000 0.000) 7.235 17.928 ( 28.073 0.000 0.000) 28.073 18.465 ( -2.286 0.000 0.000) 2.286 18.477 ( 17.928 0.000 0.000) 17.928 18.650 ( -16.643 0.000 0.000) 16.643 18.935 ( 8.591 0.000 0.000) 8.591 19.065 ( -14.375 0.000 0.000) 14.375 19.312 ( -12.623 0.000 0.000) 12.623 19.409 ( -18.317 0.000 0.000) 18.317 21.190 ( 9.518 0.000 0.000) 9.518 21.372 ( -0.706 0.000 0.000) 0.706 22.347 ( 21.406 0.000 0.000) 21.406 23.086 ( -16.604 0.000 0.000) 16.604 ======================= Grid point 5 (6/144) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( -36.821 0.000 0.000) 36.821 4.468 ( 36.821 0.000 0.000) 36.821 4.747 ( -11.402 0.000 0.000) 11.402 4.747 ( 11.402 0.000 0.000) 11.402 5.786 ( -13.127 0.000 0.000) 13.127 5.786 ( 13.127 0.000 0.000) 13.127 6.171 ( -0.997 0.000 0.000) 0.997 6.171 ( 0.997 0.000 0.000) 0.997 6.455 ( -7.617 0.000 0.000) 7.617 6.455 ( 7.617 0.000 0.000) 7.617 6.829 ( -8.207 0.000 0.000) 8.207 6.829 ( 8.207 0.000 0.000) 8.207 7.675 ( -6.349 0.000 0.000) 6.349 7.675 ( 6.349 0.000 0.000) 6.349 9.119 ( -16.212 0.000 0.000) 16.212 9.119 ( 16.212 0.000 0.000) 16.212 9.325 ( -15.602 0.000 0.000) 15.602 9.325 ( 15.602 0.000 0.000) 15.602 9.902 ( -48.566 0.000 0.000) 48.566 9.902 ( 48.566 0.000 0.000) 48.566 10.580 ( -1.331 0.000 0.000) 1.331 10.580 ( 1.331 0.000 0.000) 1.331 11.096 ( -2.577 0.000 0.000) 2.577 11.096 ( 2.577 0.000 0.000) 2.577 11.468 ( -3.233 0.000 0.000) 3.233 11.468 ( 3.233 0.000 0.000) 3.233 11.790 ( -5.842 0.000 0.000) 5.842 11.790 ( 5.842 0.000 0.000) 5.842 12.286 ( -0.009 0.000 0.000) 0.009 12.286 ( 0.009 0.000 0.000) 0.009 13.753 ( -3.371 0.000 0.000) 3.371 13.753 ( 3.371 0.000 0.000) 3.371 13.976 ( -15.587 0.000 0.000) 15.587 13.976 ( 15.587 0.000 0.000) 15.587 14.583 ( -11.054 0.000 0.000) 11.054 14.583 ( 11.054 0.000 0.000) 11.054 14.820 ( -19.228 0.000 0.000) 19.228 14.820 ( 19.228 0.000 0.000) 19.228 14.850 ( -12.175 0.000 0.000) 12.175 14.850 ( 12.175 0.000 0.000) 12.175 15.492 ( -11.829 0.000 0.000) 11.829 15.492 ( 11.829 0.000 0.000) 11.829 15.836 ( -1.751 0.000 0.000) 1.751 15.836 ( 1.751 0.000 0.000) 1.751 16.555 ( -22.307 0.000 0.000) 22.307 16.555 ( 22.307 0.000 0.000) 22.307 17.376 ( -26.038 0.000 0.000) 26.038 17.376 ( 26.038 0.000 0.000) 26.038 18.453 ( -23.389 0.000 0.000) 23.389 18.453 ( 23.389 0.000 0.000) 23.389 18.461 ( -3.280 0.000 0.000) 3.280 18.461 ( 3.280 0.000 0.000) 3.280 19.015 ( -10.948 0.000 0.000) 10.948 19.015 ( 10.948 0.000 0.000) 10.948 19.143 ( -3.496 0.000 0.000) 3.496 19.143 ( 3.496 0.000 0.000) 3.496 21.324 ( -4.574 0.000 0.000) 4.574 21.324 ( 4.574 0.000 0.000) 4.574 22.740 ( -19.444 0.000 0.000) 19.444 22.740 ( 19.444 0.000 0.000) 19.444 ======================= Grid point 11 (7/144) ======================= q-point: ( 0.00 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 52.266 0.000) 52.266 1.184 ( 0.000 59.239 0.000) 59.239 1.696 ( 0.000 83.623 0.000) 83.623 4.325 ( 0.000 0.611 0.000) 0.611 5.980 ( 0.000 -20.142 0.000) 20.142 6.189 ( 0.000 -32.369 0.000) 32.369 6.299 ( 0.000 0.851 0.000) 0.851 6.344 ( 0.000 -8.305 0.000) 8.305 6.924 ( 0.000 -10.757 0.000) 10.757 6.990 ( 0.000 19.531 0.000) 19.531 7.061 ( 0.000 9.854 0.000) 9.854 7.343 ( 0.000 -2.480 0.000) 2.480 7.649 ( 0.000 20.012 0.000) 20.012 7.777 ( 0.000 -5.703 0.000) 5.703 9.165 ( 0.000 -16.645 0.000) 16.645 9.216 ( 0.000 -0.461 0.000) 0.461 9.414 ( 0.000 -9.945 0.000) 9.945 9.562 ( 0.000 7.931 0.000) 7.931 10.149 ( 0.000 9.789 0.000) 9.789 10.290 ( 0.000 -6.229 0.000) 6.229 10.309 ( 0.000 -6.633 0.000) 6.633 10.377 ( 0.000 6.585 0.000) 6.585 11.221 ( 0.000 -0.731 0.000) 0.731 11.368 ( 0.000 9.913 0.000) 9.913 11.467 ( 0.000 -15.664 0.000) 15.664 11.487 ( 0.000 -10.971 0.000) 10.971 11.906 ( 0.000 -4.723 0.000) 4.723 12.329 ( 0.000 -2.747 0.000) 2.747 12.405 ( 0.000 4.574 0.000) 4.574 12.430 ( 0.000 6.721 0.000) 6.721 12.946 ( 0.000 3.806 0.000) 3.806 13.472 ( 0.000 -6.436 0.000) 6.436 13.680 ( 0.000 11.038 0.000) 11.038 14.069 ( 0.000 11.343 0.000) 11.343 14.320 ( 0.000 15.886 0.000) 15.886 14.348 ( 0.000 -8.210 0.000) 8.210 14.366 ( 0.000 -3.656 0.000) 3.656 14.536 ( 0.000 -2.886 0.000) 2.886 14.823 ( 0.000 7.464 0.000) 7.464 14.849 ( 0.000 9.112 0.000) 9.112 14.963 ( 0.000 4.756 0.000) 4.756 15.132 ( 0.000 -0.223 0.000) 0.223 16.078 ( 0.000 -4.524 0.000) 4.524 16.417 ( 0.000 6.837 0.000) 6.837 16.917 ( 0.000 -8.827 0.000) 8.827 16.963 ( 0.000 -2.212 0.000) 2.212 17.236 ( 0.000 -7.646 0.000) 7.646 17.364 ( 0.000 -15.070 0.000) 15.070 18.108 ( 0.000 11.062 0.000) 11.062 18.139 ( 0.000 -0.754 0.000) 0.754 18.381 ( 0.000 -6.232 0.000) 6.232 18.673 ( 0.000 3.482 0.000) 3.482 19.221 ( 0.000 -2.894 0.000) 2.894 19.653 ( 0.000 -0.125 0.000) 0.125 19.739 ( 0.000 -20.237 0.000) 20.237 20.470 ( 0.000 -7.837 0.000) 7.837 20.602 ( 0.000 22.446 0.000) 22.446 21.068 ( 0.000 7.582 0.000) 7.582 21.318 ( 0.000 4.207 0.000) 4.207 22.237 ( 0.000 -5.771 0.000) 5.771 ======================= Grid point 12 (8/144) ======================= q-point: ( 0.10 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 33.076 36.373 0.000) 49.163 1.456 ( 37.735 34.873 0.000) 51.381 2.672 ( 75.594 58.212 0.000) 95.410 4.383 ( 5.933 -0.649 0.000) 5.968 5.851 ( -9.614 -23.359 0.000) 25.260 6.197 ( -9.181 -0.920 0.000) 9.227 6.199 ( -1.575 -23.042 0.000) 23.096 6.358 ( 0.487 -5.464 0.000) 5.486 6.862 ( -6.502 -4.117 0.000) 7.695 6.969 ( -2.392 21.182 0.000) 21.317 7.083 ( 2.178 9.308 0.000) 9.560 7.250 ( -17.531 40.289 0.000) 43.938 7.318 ( -2.733 -2.365 0.000) 3.614 7.884 ( 10.573 -6.166 0.000) 12.239 8.546 ( -25.964 19.263 0.000) 32.329 9.027 ( -14.066 -16.497 0.000) 21.680 9.570 ( 13.574 -18.593 0.000) 23.021 9.902 ( -1.335 -13.308 0.000) 13.374 10.142 ( -1.355 10.532 0.000) 10.619 10.156 ( -7.932 -7.802 0.000) 11.126 10.379 ( 2.791 -9.315 0.000) 9.724 10.383 ( 0.796 6.788 0.000) 6.835 11.201 ( -10.633 3.851 0.000) 11.309 11.466 ( 18.585 -2.197 0.000) 18.714 11.486 ( -2.619 -7.603 0.000) 8.041 11.561 ( 6.654 -12.416 0.000) 14.086 11.896 ( -1.885 -3.184 0.000) 3.700 12.179 ( -7.902 -0.211 0.000) 7.905 12.492 ( -6.748 13.001 0.000) 14.648 12.583 ( 10.590 2.202 0.000) 10.816 12.870 ( 6.452 10.584 0.000) 12.395 13.543 ( 6.509 -6.753 0.000) 9.379 13.803 ( 9.962 7.439 0.000) 12.433 14.068 ( -1.164 11.352 0.000) 11.411 14.139 ( -10.607 7.520 0.000) 13.003 14.341 ( 2.770 11.385 0.000) 11.717 14.382 ( -1.711 -12.432 0.000) 12.549 14.568 ( 5.634 -0.077 0.000) 5.635 14.924 ( 10.395 8.761 0.000) 13.595 14.977 ( 1.582 4.337 0.000) 4.617 15.110 ( 18.862 0.775 0.000) 18.878 15.146 ( 0.878 0.619 0.000) 1.075 15.989 ( -9.806 -5.956 0.000) 11.473 16.230 ( -13.536 6.358 0.000) 14.955 16.866 ( -15.073 0.159 0.000) 15.074 16.997 ( -0.206 -3.944 0.000) 3.950 17.017 ( -0.855 -5.459 0.000) 5.526 17.433 ( 6.807 -11.229 0.000) 13.131 17.839 ( -13.565 2.384 0.000) 13.773 18.345 ( 12.028 -4.204 0.000) 12.742 18.466 ( -18.333 2.878 0.000) 18.558 18.713 ( 19.453 -6.902 0.000) 20.641 18.918 ( -15.894 7.083 0.000) 17.401 19.574 ( -8.200 -0.430 0.000) 8.212 19.788 ( 2.651 -18.998 0.000) 19.182 20.309 ( -14.296 -5.930 0.000) 15.477 20.668 ( 8.036 22.650 0.000) 24.033 21.227 ( 13.851 5.011 0.000) 14.730 21.341 ( 2.515 4.802 0.000) 5.421 22.993 ( 33.961 -41.149 0.000) 53.354 ======================= Grid point 13 (9/144) ======================= q-point: ( 0.20 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 41.171 19.166 0.000) 45.413 2.367 ( 52.304 10.347 0.000) 53.318 4.216 ( 81.597 38.406 0.000) 90.184 4.543 ( 10.389 -3.302 0.000) 10.902 5.631 ( -14.258 -24.737 0.000) 28.552 5.978 ( -12.670 0.062 0.000) 12.670 6.099 ( -8.293 -15.009 0.000) 17.148 6.371 ( 1.264 -4.122 0.000) 4.312 6.704 ( -8.933 5.654 0.000) 10.572 6.918 ( -3.437 25.226 0.000) 25.459 7.111 ( -1.948 19.480 0.000) 19.577 7.130 ( 1.856 6.988 0.000) 7.230 7.222 ( -7.626 -0.846 0.000) 7.673 8.135 ( 13.117 -7.739 0.000) 15.230 8.288 ( -1.057 8.473 0.000) 8.539 8.672 ( -20.074 -14.108 0.000) 24.536 9.458 ( -18.564 -17.741 0.000) 25.678 9.957 ( -11.382 -9.214 0.000) 14.644 10.056 ( -8.539 11.328 0.000) 14.186 10.082 ( 17.313 -4.986 0.000) 18.016 10.425 ( 3.947 8.035 0.000) 8.952 10.515 ( 10.210 -12.870 0.000) 16.428 11.036 ( -6.320 2.513 0.000) 6.802 11.412 ( -2.836 -2.543 0.000) 3.809 11.603 ( 2.009 -4.356 0.000) 4.797 11.802 ( -8.248 -1.810 0.000) 8.444 11.857 ( 16.037 -3.782 0.000) 16.477 12.052 ( -5.695 1.367 0.000) 5.857 12.251 ( -13.327 19.825 0.000) 23.888 12.745 ( 4.367 2.375 0.000) 4.971 13.114 ( 14.057 4.481 0.000) 14.753 13.671 ( 6.343 -7.041 0.000) 9.477 14.006 ( -4.748 11.274 0.000) 12.233 14.015 ( -2.597 4.458 0.000) 5.159 14.032 ( 13.364 5.120 0.000) 14.311 14.292 ( -5.985 -4.720 0.000) 7.622 14.416 ( 3.665 1.852 0.000) 4.106 14.730 ( 9.597 -2.264 0.000) 9.861 15.021 ( 2.217 3.853 0.000) 4.445 15.135 ( -2.243 0.320 0.000) 2.265 15.176 ( 14.082 10.120 0.000) 17.341 15.545 ( 26.851 0.389 0.000) 26.854 15.745 ( -11.947 -3.878 0.000) 12.561 16.031 ( -7.441 2.981 0.000) 8.016 16.546 ( -17.169 -4.085 0.000) 17.648 16.814 ( -18.122 -4.611 0.000) 18.700 17.093 ( 8.677 -7.413 0.000) 11.413 17.544 ( 4.372 -9.175 0.000) 10.163 17.844 ( 12.264 5.581 0.000) 13.474 18.051 ( -23.571 4.556 0.000) 24.007 18.486 ( 1.832 -5.498 0.000) 5.795 18.735 ( -2.631 3.174 0.000) 4.122 19.010 ( 10.770 -7.339 0.000) 13.033 19.347 ( -14.978 -1.020 0.000) 15.012 19.767 ( -5.173 -15.484 0.000) 16.325 19.982 ( -19.321 -5.446 0.000) 20.074 20.886 ( 13.467 19.754 0.000) 23.908 21.384 ( 3.271 5.629 0.000) 6.510 21.559 ( 18.646 2.988 0.000) 18.883 23.290 ( 2.613 -25.245 0.000) 25.379 ======================= Grid point 14 (10/144) ======================= q-point: ( 0.30 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 40.695 7.721 0.000) 41.421 3.363 ( 50.476 0.737 0.000) 50.481 4.751 ( 10.122 -4.284 0.000) 10.991 5.285 ( -18.795 -21.973 0.000) 28.915 5.643 ( 56.860 23.407 0.000) 61.490 5.764 ( -8.031 0.429 0.000) 8.043 5.918 ( -8.644 -4.538 0.000) 9.763 6.411 ( 2.719 -3.121 0.000) 4.140 6.551 ( -6.063 4.187 0.000) 7.368 6.839 ( -2.343 22.760 0.000) 22.881 6.952 ( -18.602 -1.799 0.000) 18.689 7.101 ( 2.013 8.636 0.000) 8.867 7.170 ( -1.154 5.790 0.000) 5.904 8.089 ( -17.459 -8.217 0.000) 19.296 8.468 ( 17.141 5.254 0.000) 17.928 8.605 ( 14.418 -7.898 0.000) 16.440 9.148 ( -10.243 -9.281 0.000) 13.823 9.739 ( -11.293 -9.462 0.000) 14.733 9.819 ( -15.280 10.849 0.000) 18.740 10.372 ( 11.639 -5.351 0.000) 12.810 10.522 ( 5.356 7.938 0.000) 9.576 10.742 ( 13.183 -10.896 0.000) 17.104 10.963 ( -1.219 0.231 0.000) 1.241 11.394 ( -1.543 0.750 0.000) 1.715 11.560 ( -16.812 1.892 0.000) 16.918 11.616 ( -0.235 0.303 0.000) 0.383 11.964 ( -3.307 3.045 0.000) 4.495 11.972 ( -8.535 22.791 0.000) 24.337 12.143 ( 6.754 -7.639 0.000) 10.197 12.669 ( -12.084 3.376 0.000) 12.547 13.375 ( 13.641 1.340 0.000) 13.707 13.824 ( 7.850 -8.590 0.000) 11.636 13.926 ( 0.286 9.472 0.000) 9.476 13.992 ( -2.675 -3.690 0.000) 4.558 14.165 ( 1.113 -0.227 0.000) 1.136 14.360 ( 15.143 11.046 0.000) 18.744 14.426 ( -3.291 -1.464 0.000) 3.601 14.919 ( 10.358 -4.764 0.000) 11.401 14.954 ( -8.617 -6.599 0.000) 10.853 15.135 ( 1.102 4.821 0.000) 4.945 15.359 ( 2.459 8.088 0.000) 8.454 15.612 ( -2.755 -0.723 0.000) 2.849 15.940 ( -2.525 -2.550 0.000) 3.588 16.129 ( 33.442 1.100 0.000) 33.460 16.207 ( -17.310 -7.192 0.000) 18.745 16.463 ( -14.946 4.362 0.000) 15.569 17.356 ( 17.754 -8.465 0.000) 19.669 17.599 ( -21.581 7.192 0.000) 22.748 17.633 ( 4.535 -8.273 0.000) 9.434 18.153 ( 18.218 4.861 0.000) 18.855 18.433 ( -5.069 -7.780 0.000) 9.286 18.798 ( 6.821 1.572 0.000) 6.999 18.956 ( -19.366 -5.266 0.000) 20.069 19.174 ( 0.178 -2.723 0.000) 2.728 19.580 ( -22.282 -7.017 0.000) 23.361 19.599 ( -11.973 -11.272 0.000) 16.444 21.140 ( 12.208 16.289 0.000) 20.355 21.441 ( 2.507 7.336 0.000) 7.752 21.939 ( 20.513 0.604 0.000) 20.522 23.219 ( -8.482 -14.348 0.000) 16.667 ======================= Grid point 15 (11/144) ======================= q-point: ( 0.40 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( 36.590 -1.639 0.000) 36.626 4.243 ( 39.107 -3.017 0.000) 39.224 4.863 ( -23.851 -17.901 0.000) 29.821 4.877 ( 1.980 -0.316 0.000) 2.005 5.721 ( 3.278 -3.254 0.000) 4.619 5.721 ( -6.457 3.523 0.000) 7.356 6.239 ( 4.009 0.054 0.000) 4.009 6.419 ( -10.731 -7.335 0.000) 12.999 6.463 ( -1.619 11.127 0.000) 11.244 6.562 ( -11.414 5.052 0.000) 12.483 6.861 ( -0.228 13.196 0.000) 13.198 7.065 ( -9.925 2.458 0.000) 10.225 7.387 ( 25.174 5.733 0.000) 25.819 7.816 ( -8.908 1.025 0.000) 8.966 8.838 ( 19.580 5.616 0.000) 20.370 8.928 ( 17.209 -7.913 0.000) 18.941 9.219 ( 22.027 0.938 0.000) 22.047 9.510 ( -16.325 9.046 0.000) 18.664 9.513 ( -12.587 -8.841 0.000) 15.382 10.529 ( 5.447 -6.221 0.000) 8.268 10.589 ( 0.194 1.120 0.000) 1.137 10.842 ( -28.360 7.457 0.000) 29.323 10.987 ( 11.146 -1.788 0.000) 11.289 11.117 ( -5.834 2.798 0.000) 6.470 11.457 ( 0.992 2.170 0.000) 2.386 11.601 ( -1.894 4.564 0.000) 4.941 11.802 ( -6.600 10.304 0.000) 12.236 11.898 ( -4.810 1.290 0.000) 4.980 12.260 ( 4.499 -1.354 0.000) 4.698 12.425 ( -9.394 5.749 0.000) 11.014 13.648 ( 14.873 -1.234 0.000) 14.924 13.800 ( -2.913 3.104 0.000) 4.257 13.881 ( -6.627 -1.804 0.000) 6.868 14.122 ( 2.609 -7.666 0.000) 8.098 14.296 ( 10.916 0.623 0.000) 10.934 14.375 ( 8.227 1.938 0.000) 8.452 14.660 ( 14.942 7.129 0.000) 16.556 14.764 ( -10.947 -8.346 0.000) 13.766 15.092 ( -5.835 3.296 0.000) 6.702 15.126 ( 8.854 -2.743 0.000) 9.270 15.223 ( -13.638 -3.553 0.000) 14.093 15.570 ( -4.139 -4.289 0.000) 5.960 15.849 ( -6.699 -5.819 0.000) 8.874 15.936 ( -9.905 -3.244 0.000) 10.423 16.399 ( 9.304 14.306 0.000) 17.065 16.795 ( 34.663 2.349 0.000) 34.742 17.122 ( -22.785 9.162 0.000) 24.558 17.668 ( -3.346 -3.695 0.000) 4.985 17.866 ( 29.016 -6.943 0.000) 29.835 18.338 ( -4.243 -10.989 0.000) 11.780 18.455 ( 1.226 -2.717 0.000) 2.981 18.608 ( -2.963 -2.482 0.000) 3.865 18.943 ( 7.563 0.331 0.000) 7.570 19.021 ( -20.499 -4.781 0.000) 21.049 19.241 ( -8.276 -6.257 0.000) 10.375 19.326 ( -16.065 -7.382 0.000) 17.680 21.335 ( 7.978 13.487 0.000) 15.670 21.470 ( 0.302 9.146 0.000) 9.151 22.329 ( 19.981 -1.905 0.000) 20.072 22.999 ( -14.071 -8.504 0.000) 16.442 ======================= Grid point 16 (12/144) ======================= q-point: (-0.50 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( -29.523 -10.047 0.000) 31.186 4.322 ( 29.523 -10.047 0.000) 31.186 4.792 ( -13.069 -0.250 0.000) 13.071 4.792 ( 13.069 -0.250 0.000) 13.071 5.738 ( -5.778 -2.672 0.000) 6.366 5.738 ( 5.778 -2.672 0.000) 6.366 6.167 ( -0.130 -3.583 0.000) 3.585 6.167 ( 0.130 -3.583 0.000) 3.585 6.525 ( -2.901 7.934 0.000) 8.448 6.525 ( 2.901 7.934 0.000) 8.448 6.881 ( -5.640 4.744 0.000) 7.369 6.881 ( 5.640 4.744 0.000) 7.369 7.692 ( -7.394 3.925 0.000) 8.371 7.692 ( 7.394 3.925 0.000) 8.371 9.174 ( -10.824 2.650 0.000) 11.144 9.174 ( 10.824 2.650 0.000) 11.144 9.261 ( -9.036 -3.863 0.000) 9.827 9.261 ( 9.036 -3.863 0.000) 9.827 9.966 ( -49.132 6.930 0.000) 49.618 9.966 ( 49.132 6.930 0.000) 49.618 10.600 ( -2.308 -4.147 0.000) 4.746 10.600 ( 2.308 -4.147 0.000) 4.746 11.122 ( -2.036 7.740 0.000) 8.003 11.122 ( 2.036 7.740 0.000) 8.003 11.513 ( -5.389 2.488 0.000) 5.935 11.513 ( 5.389 2.488 0.000) 5.935 11.791 ( -4.568 0.242 0.000) 4.574 11.791 ( 4.568 0.242 0.000) 4.574 12.326 ( -2.925 5.082 0.000) 5.863 12.326 ( 2.925 5.082 0.000) 5.863 13.790 ( -2.255 1.517 0.000) 2.718 13.790 ( 2.255 1.517 0.000) 2.718 13.934 ( -14.520 -3.181 0.000) 14.864 13.934 ( 14.520 -3.181 0.000) 14.864 14.530 ( -12.416 -4.079 0.000) 13.069 14.530 ( 12.416 -4.079 0.000) 13.069 14.769 ( -22.356 -0.394 0.000) 22.360 14.769 ( 22.356 -0.394 0.000) 22.360 14.930 ( -9.293 2.230 0.000) 9.557 14.930 ( 9.293 2.230 0.000) 9.557 15.389 ( -12.972 -9.248 0.000) 15.931 15.389 ( 12.972 -9.248 0.000) 15.931 15.815 ( -3.045 -0.444 0.000) 3.077 15.815 ( 3.045 -0.444 0.000) 3.077 16.704 ( -20.074 12.751 0.000) 23.781 16.704 ( 20.074 12.751 0.000) 23.781 17.396 ( -25.369 1.995 0.000) 25.447 17.396 ( 25.369 1.995 0.000) 25.447 18.305 ( -2.744 -13.432 0.000) 13.710 18.305 ( 2.744 -13.432 0.000) 13.710 18.437 ( -28.416 -3.248 0.000) 28.601 18.437 ( 28.416 -3.248 0.000) 28.601 18.953 ( -13.945 -5.199 0.000) 14.883 18.953 ( 13.945 -5.199 0.000) 14.883 19.127 ( -3.740 -1.800 0.000) 4.150 19.127 ( 3.740 -1.800 0.000) 4.150 21.443 ( -3.382 11.163 0.000) 11.664 21.443 ( 3.382 11.163 0.000) 11.664 22.692 ( -17.714 -4.772 0.000) 18.345 22.692 ( 17.714 -4.772 0.000) 18.345 ======================= Grid point 22 (13/144) ======================= q-point: ( 0.00 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 49.333 0.000) 49.333 2.337 ( 0.000 56.838 0.000) 56.838 3.260 ( 0.000 72.111 0.000) 72.111 4.223 ( 0.000 -13.613 0.000) 13.613 5.449 ( 0.000 -40.575 0.000) 40.575 5.623 ( 0.000 -15.801 0.000) 15.801 6.227 ( 0.000 -1.318 0.000) 1.318 6.324 ( 0.000 1.510 0.000) 1.510 6.701 ( 0.000 -9.540 0.000) 9.540 7.224 ( 0.000 0.801 0.000) 0.801 7.271 ( 0.000 -4.027 0.000) 4.027 7.328 ( 0.000 15.392 0.000) 15.392 7.626 ( 0.000 -7.791 0.000) 7.791 8.032 ( 0.000 17.995 0.000) 17.995 8.762 ( 0.000 -23.072 0.000) 23.072 9.075 ( 0.000 -20.219 0.000) 20.219 9.274 ( 0.000 5.351 0.000) 5.351 9.744 ( 0.000 9.244 0.000) 9.244 10.123 ( 0.000 -11.696 0.000) 11.696 10.170 ( 0.000 -5.146 0.000) 5.146 10.382 ( 0.000 12.479 0.000) 12.479 10.555 ( 0.000 12.099 0.000) 12.099 11.139 ( 0.000 -16.419 0.000) 16.419 11.204 ( 0.000 -0.837 0.000) 0.837 11.303 ( 0.000 -6.737 0.000) 6.737 11.618 ( 0.000 14.344 0.000) 14.344 11.676 ( 0.000 -16.849 0.000) 16.849 12.272 ( 0.000 -4.148 0.000) 4.148 12.551 ( 0.000 9.955 0.000) 9.955 12.579 ( 0.000 8.332 0.000) 8.332 13.000 ( 0.000 0.297 0.000) 0.297 13.295 ( 0.000 -11.036 0.000) 11.036 13.908 ( 0.000 9.995 0.000) 9.995 14.172 ( 0.000 -7.868 0.000) 7.868 14.312 ( 0.000 -0.946 0.000) 0.946 14.356 ( 0.000 16.427 0.000) 16.427 14.502 ( 0.000 -1.723 0.000) 1.723 14.708 ( 0.000 20.690 0.000) 20.690 14.994 ( 0.000 8.985 0.000) 8.985 15.027 ( 0.000 8.619 0.000) 8.619 15.088 ( 0.000 7.280 0.000) 7.280 15.111 ( 0.000 -1.992 0.000) 1.992 15.994 ( 0.000 -2.733 0.000) 2.733 16.576 ( 0.000 8.560 0.000) 8.560 16.736 ( 0.000 -7.919 0.000) 7.919 16.869 ( 0.000 -12.223 0.000) 12.223 16.996 ( 0.000 -15.883 0.000) 15.883 17.028 ( 0.000 -12.589 0.000) 12.589 18.105 ( 0.000 -2.433 0.000) 2.433 18.229 ( 0.000 -8.186 0.000) 8.186 18.372 ( 0.000 14.689 0.000) 14.689 18.769 ( 0.000 6.018 0.000) 6.018 19.137 ( 0.000 -5.669 0.000) 5.669 19.360 ( 0.000 -17.791 0.000) 17.791 19.690 ( 0.000 4.320 0.000) 4.320 20.273 ( 0.000 -11.409 0.000) 11.409 21.041 ( 0.000 21.621 0.000) 21.621 21.239 ( 0.000 8.618 0.000) 8.618 21.401 ( 0.000 3.461 0.000) 3.461 22.068 ( 0.000 -11.156 0.000) 11.156 ======================= Grid point 23 (14/144) ======================= q-point: ( 0.10 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 16.745 43.091 0.000) 46.230 2.357 ( 9.959 51.096 0.000) 52.058 3.880 ( 53.438 57.963 0.000) 78.837 4.258 ( 3.698 -14.284 0.000) 14.755 5.297 ( -9.498 -33.037 0.000) 34.376 5.756 ( 6.611 -17.561 0.000) 18.764 6.159 ( -6.949 -0.425 0.000) 6.962 6.318 ( -0.331 0.647 0.000) 0.727 6.668 ( -3.223 -9.151 0.000) 9.702 7.250 ( 3.359 3.980 0.000) 5.208 7.259 ( -1.273 -2.625 0.000) 2.918 7.339 ( 0.952 15.466 0.000) 15.496 7.715 ( 8.722 -9.992 0.000) 13.263 7.918 ( -9.194 26.003 0.000) 27.581 8.638 ( -12.405 -21.734 0.000) 25.025 8.876 ( -25.357 7.987 0.000) 26.585 9.218 ( 3.361 -11.555 0.000) 12.034 9.733 ( 0.370 -4.354 0.000) 4.370 9.971 ( -11.100 -10.491 0.000) 15.274 10.169 ( -1.364 -10.252 0.000) 10.342 10.390 ( -0.669 13.452 0.000) 13.469 10.534 ( -0.929 7.944 0.000) 7.998 11.163 ( 1.874 -7.870 0.000) 8.090 11.394 ( 9.625 -4.918 0.000) 10.809 11.412 ( -11.028 -1.955 0.000) 11.200 11.416 ( 16.167 -2.700 0.000) 16.391 11.810 ( 4.065 -1.602 0.000) 4.369 12.184 ( -6.249 -0.714 0.000) 6.290 12.665 ( 9.001 6.627 0.000) 11.177 12.670 ( 3.816 8.084 0.000) 8.939 13.048 ( 6.762 4.926 0.000) 8.366 13.359 ( 6.096 -11.419 0.000) 12.944 13.957 ( 3.844 5.526 0.000) 6.732 14.159 ( -3.481 -7.259 0.000) 8.050 14.253 ( -0.722 4.343 0.000) 4.403 14.348 ( -1.154 15.802 0.000) 15.844 14.556 ( 4.947 -1.587 0.000) 5.195 14.619 ( -7.998 14.758 0.000) 16.786 15.095 ( 1.628 6.098 0.000) 6.312 15.113 ( 12.399 9.817 0.000) 15.815 15.141 ( 0.465 -1.123 0.000) 1.215 15.179 ( 14.617 5.589 0.000) 15.649 15.894 ( -9.683 -2.043 0.000) 9.896 16.360 ( -15.039 6.097 0.000) 16.228 16.735 ( -3.839 -8.899 0.000) 9.692 16.841 ( -3.832 -12.174 0.000) 12.763 16.875 ( -10.431 -9.466 0.000) 14.086 17.156 ( 9.209 -15.351 0.000) 17.902 17.913 ( -4.744 5.520 0.000) 7.278 18.410 ( 2.220 8.285 0.000) 8.577 18.528 ( 17.424 -11.178 0.000) 20.701 18.553 ( -17.960 5.159 0.000) 18.686 18.970 ( -12.719 -0.193 0.000) 12.721 19.431 ( 4.156 -16.709 0.000) 17.219 19.603 ( -8.894 3.930 0.000) 9.724 20.145 ( -12.357 -10.055 0.000) 15.931 21.121 ( 8.204 22.720 0.000) 24.156 21.351 ( 10.493 6.590 0.000) 12.391 21.438 ( 3.839 4.247 0.000) 5.725 22.392 ( 24.596 -23.153 0.000) 33.780 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.20 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 26.056 29.949 0.000) 39.697 2.780 ( 31.874 30.318 0.000) 43.990 4.367 ( 7.715 -15.961 0.000) 17.727 4.910 ( 28.200 -1.414 0.000) 28.235 5.232 ( 22.536 9.517 0.000) 24.463 5.802 ( -0.742 -11.077 0.000) 11.102 5.984 ( -10.414 1.904 0.000) 10.587 6.319 ( 0.573 -1.757 0.000) 1.848 6.595 ( -3.513 -5.152 0.000) 6.235 7.194 ( -6.674 1.917 0.000) 6.944 7.324 ( 1.432 14.192 0.000) 14.264 7.363 ( 1.326 13.517 0.000) 13.582 7.759 ( -7.551 33.117 0.000) 33.967 7.914 ( 9.224 -14.059 0.000) 16.815 8.351 ( -13.393 -17.143 0.000) 21.755 8.477 ( -10.312 9.123 0.000) 13.768 9.148 ( -9.821 -12.014 0.000) 15.518 9.694 ( -11.427 -16.763 0.000) 20.287 9.928 ( 14.218 -9.785 0.000) 17.259 10.203 ( 5.241 -16.076 0.000) 16.909 10.293 ( -9.220 11.300 0.000) 14.584 10.561 ( 2.248 4.027 0.000) 4.612 11.116 ( -5.539 5.319 0.000) 7.679 11.348 ( 3.955 -3.672 0.000) 5.397 11.551 ( 6.784 -0.689 0.000) 6.819 11.749 ( 15.829 -5.764 0.000) 16.845 11.791 ( -5.451 1.965 0.000) 5.794 12.092 ( -3.228 1.568 0.000) 3.589 12.621 ( -7.132 16.423 0.000) 17.905 12.818 ( 5.125 5.446 0.000) 7.479 13.252 ( 12.037 6.418 0.000) 13.641 13.483 ( 5.646 -11.555 0.000) 12.860 13.952 ( -5.013 -5.832 0.000) 7.690 14.126 ( 2.763 3.419 0.000) 4.396 14.289 ( -5.463 16.036 0.000) 16.941 14.349 ( 9.115 7.030 0.000) 11.511 14.469 ( -5.948 3.862 0.000) 7.092 14.662 ( 5.657 -4.280 0.000) 7.094 15.031 ( -10.700 -4.343 0.000) 11.548 15.160 ( 2.572 0.275 0.000) 2.587 15.411 ( 16.030 12.205 0.000) 20.148 15.575 ( 26.537 2.941 0.000) 26.700 15.711 ( -7.034 3.342 0.000) 7.787 16.108 ( -11.124 4.233 0.000) 11.902 16.432 ( -21.197 -6.367 0.000) 22.133 16.699 ( -9.912 -5.873 0.000) 11.521 16.873 ( 6.068 -14.244 0.000) 15.483 17.279 ( 5.487 -17.043 0.000) 17.904 18.004 ( 11.986 10.511 0.000) 15.942 18.159 ( -20.815 5.833 0.000) 21.617 18.408 ( -5.179 -2.538 0.000) 5.767 18.808 ( -2.240 4.883 0.000) 5.373 18.810 ( 11.166 -12.416 0.000) 16.699 19.360 ( -16.002 2.956 0.000) 16.273 19.452 ( -2.232 -15.455 0.000) 15.615 19.836 ( -19.417 -8.892 0.000) 21.357 21.322 ( 11.638 23.260 0.000) 26.009 21.513 ( 5.536 6.562 0.000) 8.585 21.624 ( 15.408 2.962 0.000) 15.690 22.760 ( 12.029 -26.330 0.000) 28.948 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.30 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 28.346 16.580 0.000) 32.839 3.476 ( 38.717 11.679 0.000) 40.440 4.545 ( 10.313 -17.424 0.000) 20.248 4.842 ( -12.156 -23.406 0.000) 26.375 5.690 ( -0.751 -9.273 0.000) 9.303 5.799 ( -7.897 4.319 0.000) 9.001 6.043 ( 17.412 -1.782 0.000) 17.503 6.332 ( -0.040 -5.934 0.000) 5.934 6.658 ( 14.579 21.842 0.000) 26.260 6.981 ( -15.035 6.351 0.000) 16.321 7.288 ( -1.179 20.495 0.000) 20.529 7.340 ( -5.701 10.585 0.000) 12.022 7.571 ( -9.473 31.444 0.000) 32.840 7.888 ( -6.555 -10.888 0.000) 12.709 8.388 ( 14.331 -13.674 0.000) 19.808 8.585 ( 18.087 5.605 0.000) 18.935 9.010 ( -0.270 -3.586 0.000) 3.596 9.470 ( -11.196 -17.381 0.000) 20.674 10.054 ( -15.367 11.514 0.000) 19.202 10.196 ( 8.876 -11.340 0.000) 14.400 10.422 ( 19.663 -20.215 0.000) 28.201 10.550 ( -3.423 -4.986 0.000) 6.048 11.119 ( 6.403 13.052 0.000) 14.538 11.388 ( -3.774 -0.947 0.000) 3.891 11.637 ( -9.425 6.661 0.000) 11.541 11.639 ( 2.576 2.249 0.000) 3.420 11.977 ( 6.568 -8.390 0.000) 10.655 12.041 ( -3.019 3.585 0.000) 4.687 12.472 ( -6.530 25.268 0.000) 26.098 12.786 ( -8.596 8.611 0.000) 12.168 13.463 ( 9.971 5.136 0.000) 11.217 13.581 ( 5.420 -14.284 0.000) 15.278 13.857 ( -3.851 -6.286 0.000) 7.372 14.184 ( -3.401 13.741 0.000) 14.155 14.217 ( 6.235 5.035 0.000) 8.014 14.388 ( -4.003 -1.340 0.000) 4.222 14.551 ( 10.811 5.178 0.000) 11.987 14.776 ( 6.579 -9.005 0.000) 11.152 14.786 ( -12.055 -9.291 0.000) 15.220 15.182 ( -1.060 -2.849 0.000) 3.040 15.581 ( -2.712 13.319 0.000) 13.592 15.608 ( -5.598 2.738 0.000) 6.231 15.928 ( -8.122 0.550 0.000) 8.141 16.047 ( -13.036 -7.527 0.000) 15.053 16.177 ( 32.653 4.243 0.000) 32.928 16.565 ( -1.248 6.392 0.000) 6.513 17.106 ( 19.191 -16.690 0.000) 25.434 17.402 ( 7.255 -14.826 0.000) 16.505 17.763 ( -20.106 8.844 0.000) 21.965 18.258 ( -8.893 -8.905 0.000) 12.585 18.280 ( 15.497 7.934 0.000) 17.410 18.849 ( 4.700 3.755 0.000) 6.016 18.851 ( -13.927 -5.655 0.000) 15.031 19.095 ( -4.389 -3.705 0.000) 5.743 19.352 ( -7.943 -12.612 0.000) 14.905 19.413 ( -24.577 -9.124 0.000) 26.216 21.531 ( 9.498 21.934 0.000) 23.902 21.615 ( 5.035 9.388 0.000) 10.653 21.942 ( 17.181 -0.699 0.000) 17.195 22.860 ( -0.637 -20.647 0.000) 20.657 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.40 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( 26.293 5.260 0.000) 26.814 4.189 ( 33.745 -1.539 0.000) 33.780 4.556 ( -17.588 -12.246 0.000) 21.431 4.720 ( 6.100 -16.437 0.000) 17.532 5.682 ( 1.157 -5.625 0.000) 5.743 5.710 ( -1.203 3.612 0.000) 3.807 6.054 ( -6.565 -16.622 0.000) 17.872 6.229 ( -12.990 -10.864 0.000) 16.934 6.745 ( -5.122 12.301 0.000) 13.325 6.779 ( -2.664 19.900 0.000) 20.078 7.152 ( -11.259 5.398 0.000) 12.486 7.184 ( -11.107 15.909 0.000) 19.403 7.709 ( 15.770 24.292 0.000) 28.962 7.852 ( 1.309 3.406 0.000) 3.649 8.699 ( 16.525 -14.874 0.000) 22.233 8.984 ( 19.661 7.972 0.000) 21.215 9.256 ( -4.901 -12.581 0.000) 13.502 9.315 ( 29.194 5.217 0.000) 29.656 9.732 ( -17.609 12.398 0.000) 21.535 10.311 ( 4.545 -12.953 0.000) 13.727 10.469 ( -4.424 -10.617 0.000) 11.502 10.852 ( 22.689 -13.506 0.000) 26.405 11.000 ( -32.348 7.554 0.000) 33.218 11.361 ( 12.576 10.548 0.000) 16.414 11.476 ( -8.674 7.397 0.000) 11.400 11.673 ( 1.607 3.451 0.000) 3.807 11.931 ( -8.216 1.848 0.000) 8.421 11.944 ( -9.154 -0.739 0.000) 9.184 12.440 ( 2.936 21.778 0.000) 21.975 12.618 ( -6.158 13.290 0.000) 14.647 13.630 ( 6.443 -3.463 0.000) 7.314 13.655 ( 1.469 -16.217 0.000) 16.283 13.826 ( 1.768 0.278 0.000) 1.789 14.149 ( -5.796 7.521 0.000) 9.496 14.355 ( 7.740 5.237 0.000) 9.345 14.361 ( 7.860 -3.171 0.000) 8.475 14.618 ( -6.231 -4.746 0.000) 7.833 14.736 ( 7.992 -3.526 0.000) 8.735 14.905 ( 5.013 -14.810 0.000) 15.635 15.105 ( -6.668 -3.580 0.000) 7.569 15.317 ( -17.104 11.673 0.000) 20.708 15.462 ( -9.925 -2.235 0.000) 10.174 15.808 ( -3.182 -1.280 0.000) 3.430 15.891 ( -4.912 -1.581 0.000) 5.160 16.684 ( 12.491 14.493 0.000) 19.133 16.855 ( 34.931 4.134 0.000) 35.174 17.347 ( -15.118 12.187 0.000) 19.418 17.532 ( 5.079 -10.258 0.000) 11.446 17.630 ( 25.287 -16.007 0.000) 29.928 18.108 ( -5.419 -11.242 0.000) 12.480 18.391 ( -24.889 -1.978 0.000) 24.967 18.592 ( 12.896 -0.099 0.000) 12.896 18.886 ( -28.121 -7.148 0.000) 29.015 18.943 ( 4.161 0.023 0.000) 4.161 19.101 ( -0.904 -7.412 0.000) 7.467 19.164 ( -10.877 -7.900 0.000) 13.443 21.671 ( 5.018 19.256 0.000) 19.899 21.695 ( 3.057 12.599 0.000) 12.964 22.265 ( 16.315 -4.725 0.000) 16.986 22.767 ( -8.507 -14.447 0.000) 16.766 ======================= Grid point 27 (18/144) ======================= q-point: (-0.50 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( -22.304 -3.658 0.000) 22.602 4.173 ( 22.304 -3.658 0.000) 22.602 4.671 ( -13.990 -11.090 0.000) 17.852 4.671 ( 13.990 -11.090 0.000) 17.852 5.716 ( -0.562 -0.241 0.000) 0.612 5.716 ( 0.562 -0.241 0.000) 0.612 5.992 ( -4.854 -11.910 0.000) 12.861 5.992 ( 4.854 -11.910 0.000) 12.861 6.740 ( -1.078 12.584 0.000) 12.630 6.740 ( 1.078 12.584 0.000) 12.630 7.033 ( -1.622 9.574 0.000) 9.711 7.033 ( 1.622 9.574 0.000) 9.711 7.863 ( -1.813 12.785 0.000) 12.913 7.863 ( 1.813 12.785 0.000) 12.913 8.991 ( -13.389 -15.729 0.000) 20.656 8.991 ( 13.389 -15.729 0.000) 20.656 9.391 ( -17.866 11.501 0.000) 21.248 9.391 ( 17.866 11.501 0.000) 21.248 10.172 ( -49.118 10.539 0.000) 50.236 10.172 ( 49.118 10.539 0.000) 50.236 10.391 ( -4.280 -10.794 0.000) 11.611 10.391 ( 4.280 -10.794 0.000) 11.611 11.235 ( -16.455 -4.554 0.000) 17.073 11.235 ( 16.455 -4.554 0.000) 17.073 11.630 ( -11.528 11.511 0.000) 16.291 11.630 ( 11.528 11.511 0.000) 16.291 11.805 ( -2.056 1.320 0.000) 2.443 11.805 ( 2.056 1.320 0.000) 2.443 12.524 ( -4.800 15.288 0.000) 16.024 12.524 ( 4.800 15.288 0.000) 16.024 13.670 ( -0.581 -12.264 0.000) 12.277 13.670 ( 0.581 -12.264 0.000) 12.277 13.963 ( -10.682 4.944 0.000) 11.771 13.963 ( 10.682 4.944 0.000) 11.771 14.497 ( -6.615 1.327 0.000) 6.746 14.497 ( 6.615 1.327 0.000) 6.746 14.667 ( -17.856 -11.346 0.000) 21.156 14.667 ( 17.856 -11.346 0.000) 21.156 14.959 ( -7.167 -2.265 0.000) 7.517 14.959 ( 7.167 -2.265 0.000) 7.517 15.261 ( -8.950 2.096 0.000) 9.192 15.261 ( 8.950 2.096 0.000) 9.192 15.813 ( -2.899 -1.167 0.000) 3.125 15.813 ( 2.899 -1.167 0.000) 3.125 16.982 ( -17.225 14.136 0.000) 22.283 16.982 ( 17.225 14.136 0.000) 22.283 17.456 ( -19.042 3.696 0.000) 19.397 17.456 ( 19.042 3.696 0.000) 19.397 17.989 ( -10.690 -15.995 0.000) 19.239 17.989 ( 10.690 -15.995 0.000) 19.239 18.304 ( -28.741 -10.547 0.000) 30.615 18.304 ( 28.741 -10.547 0.000) 30.615 18.872 ( -12.695 -1.633 0.000) 12.799 18.872 ( 12.695 -1.633 0.000) 12.799 19.069 ( -2.013 -3.986 0.000) 4.466 19.069 ( 2.013 -3.986 0.000) 4.466 21.722 ( -0.458 15.977 0.000) 15.983 21.722 ( 0.458 15.977 0.000) 15.983 22.553 ( -13.430 -9.212 0.000) 16.286 22.553 ( 13.430 -9.212 0.000) 16.286 ======================= Grid point 33 (19/144) ======================= q-point: ( 0.00 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 0.000 43.650 0.000) 43.650 3.422 ( 0.000 51.971 0.000) 51.971 3.754 ( 0.000 -32.688 0.000) 32.688 4.229 ( 0.000 -5.565 0.000) 5.565 4.834 ( 0.000 7.012 0.000) 7.012 5.303 ( 0.000 -19.384 0.000) 19.384 6.285 ( 0.000 4.910 0.000) 4.910 6.342 ( 0.000 -0.379 0.000) 0.379 6.650 ( 0.000 7.102 0.000) 7.102 6.984 ( 0.000 -21.401 0.000) 21.401 7.233 ( 0.000 1.613 0.000) 1.613 7.352 ( 0.000 -9.035 0.000) 9.035 7.799 ( 0.000 22.170 0.000) 22.170 8.279 ( 0.000 -25.047 0.000) 25.047 8.362 ( 0.000 15.728 0.000) 15.728 8.683 ( 0.000 -17.618 0.000) 17.618 9.485 ( 0.000 14.751 0.000) 14.751 9.786 ( 0.000 -12.198 0.000) 12.198 9.972 ( 0.000 3.722 0.000) 3.722 10.076 ( 0.000 -4.916 0.000) 4.916 10.605 ( 0.000 10.709 0.000) 10.709 10.840 ( 0.000 -13.423 0.000) 13.423 10.881 ( 0.000 19.853 0.000) 19.853 11.194 ( 0.000 0.104 0.000) 0.104 11.217 ( 0.000 -2.399 0.000) 2.399 11.294 ( 0.000 -20.852 0.000) 20.852 11.902 ( 0.000 13.644 0.000) 13.644 12.137 ( 0.000 -9.595 0.000) 9.595 12.759 ( 0.000 9.489 0.000) 9.489 12.784 ( 0.000 13.107 0.000) 13.107 12.931 ( 0.000 -6.975 0.000) 6.975 13.050 ( 0.000 -13.278 0.000) 13.278 14.029 ( 0.000 2.536 0.000) 2.536 14.068 ( 0.000 -2.807 0.000) 2.807 14.353 ( 0.000 4.631 0.000) 4.631 14.447 ( 0.000 -3.988 0.000) 3.988 14.677 ( 0.000 14.981 0.000) 14.981 14.905 ( 0.000 -5.818 0.000) 5.818 15.143 ( 0.000 5.097 0.000) 5.097 15.160 ( 0.000 3.633 0.000) 3.633 15.161 ( 0.000 8.630 0.000) 8.630 15.211 ( 0.000 3.617 0.000) 3.617 16.045 ( 0.000 10.353 0.000) 10.353 16.419 ( 0.000 -24.748 0.000) 24.748 16.656 ( 0.000 0.900 0.000) 0.900 16.735 ( 0.000 7.060 0.000) 7.060 16.781 ( 0.000 -10.850 0.000) 10.850 16.853 ( 0.000 -5.112 0.000) 5.112 18.064 ( 0.000 -0.915 0.000) 0.915 18.096 ( 0.000 -4.433 0.000) 4.433 18.673 ( 0.000 15.444 0.000) 15.444 18.903 ( 0.000 7.303 0.000) 7.303 18.969 ( 0.000 -13.027 0.000) 13.027 19.064 ( 0.000 -10.297 0.000) 10.297 19.827 ( 0.000 9.213 0.000) 9.213 20.039 ( 0.000 -11.742 0.000) 11.742 21.380 ( 0.000 5.171 0.000) 5.171 21.435 ( 0.000 -0.389 0.000) 0.389 21.449 ( 0.000 19.359 0.000) 19.359 21.800 ( 0.000 -15.792 0.000) 15.792 ======================= Grid point 34 (20/144) ======================= q-point: ( 0.10 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 8.203 40.592 0.000) 41.412 3.378 ( -0.398 50.619 0.000) 50.620 3.793 ( 4.120 -31.528 0.000) 31.796 4.291 ( 1.273 -35.361 0.000) 35.383 5.079 ( 26.877 26.990 0.000) 38.090 5.484 ( 13.857 -13.139 0.000) 19.095 6.224 ( -5.881 5.665 0.000) 8.166 6.314 ( -2.924 -2.262 0.000) 3.697 6.653 ( 1.599 11.026 0.000) 11.141 7.053 ( 8.705 -21.814 0.000) 23.487 7.265 ( 3.287 4.427 0.000) 5.513 7.428 ( 7.440 -9.906 0.000) 12.389 7.765 ( -3.556 19.175 0.000) 19.502 8.193 ( -8.507 -22.642 0.000) 24.187 8.344 ( -2.203 18.233 0.000) 18.365 8.686 ( -1.676 -17.031 0.000) 17.114 9.326 ( -14.495 14.561 0.000) 20.546 9.626 ( -13.829 -12.942 0.000) 18.941 9.853 ( -8.555 3.907 0.000) 9.405 9.993 ( -6.125 -8.082 0.000) 10.140 10.611 ( -0.664 7.909 0.000) 7.937 10.677 ( -8.840 3.551 0.000) 9.527 11.059 ( 10.522 1.817 0.000) 10.678 11.247 ( -3.214 -12.635 0.000) 13.038 11.347 ( 11.849 -0.276 0.000) 11.852 11.368 ( 14.338 -2.013 0.000) 14.478 11.918 ( 0.739 9.886 0.000) 9.914 12.104 ( -2.799 -7.462 0.000) 7.970 12.849 ( 6.683 9.839 0.000) 11.894 12.853 ( 6.339 11.878 0.000) 13.463 13.026 ( 8.902 -6.524 0.000) 11.037 13.109 ( 5.694 -13.324 0.000) 14.489 14.013 ( -1.626 2.023 0.000) 2.595 14.066 ( 0.507 -3.142 0.000) 3.182 14.375 ( 3.306 6.911 0.000) 7.661 14.495 ( 4.196 -4.706 0.000) 6.305 14.655 ( -2.301 14.001 0.000) 14.188 14.818 ( -9.505 1.236 0.000) 9.585 15.097 ( -4.297 0.986 0.000) 4.409 15.166 ( -6.833 -1.799 0.000) 7.065 15.274 ( 13.242 5.172 0.000) 14.216 15.286 ( 12.775 3.664 0.000) 13.290 15.999 ( -3.959 13.613 0.000) 14.177 16.332 ( -8.722 -14.220 0.000) 16.682 16.610 ( -5.547 -2.162 0.000) 5.954 16.678 ( -9.242 -8.383 0.000) 12.478 16.686 ( -2.152 3.427 0.000) 4.046 16.873 ( 0.419 -12.626 0.000) 12.633 18.067 ( 5.821 9.935 0.000) 11.515 18.291 ( 13.210 -12.179 0.000) 17.967 18.581 ( -10.380 7.087 0.000) 12.569 18.637 ( -17.126 1.867 0.000) 17.228 18.977 ( -2.822 2.978 0.000) 4.102 19.137 ( 4.360 -12.446 0.000) 13.188 19.732 ( -9.696 8.721 0.000) 13.041 19.932 ( -10.774 -10.959 0.000) 15.368 21.458 ( 7.669 3.749 0.000) 8.536 21.489 ( 5.490 0.663 0.000) 5.530 21.560 ( 10.482 21.479 0.000) 23.901 21.973 ( 15.226 -20.370 0.000) 25.431 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.20 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 14.153 33.012 0.000) 35.918 3.493 ( 12.571 39.804 0.000) 41.742 3.911 ( 8.086 -28.825 0.000) 29.938 4.294 ( 0.776 -39.475 0.000) 39.483 5.590 ( 13.821 7.768 0.000) 15.854 5.697 ( 10.753 -3.296 0.000) 11.247 6.086 ( -7.812 7.833 0.000) 11.062 6.243 ( -4.084 -6.580 0.000) 7.744 6.820 ( 19.249 28.110 0.000) 34.069 7.321 ( 0.076 11.116 0.000) 11.116 7.336 ( 17.827 -15.458 0.000) 23.596 7.599 ( 7.925 -13.976 0.000) 16.066 7.674 ( -4.854 14.537 0.000) 15.326 8.009 ( -6.971 -17.290 0.000) 18.642 8.283 ( -3.340 19.410 0.000) 19.695 8.542 ( -11.309 -5.792 0.000) 12.706 9.066 ( -10.064 6.834 0.000) 12.164 9.341 ( -14.595 -17.493 0.000) 22.782 9.801 ( 5.199 -0.003 0.000) 5.199 9.930 ( 0.605 -11.206 0.000) 11.222 10.476 ( -10.399 6.988 0.000) 12.529 10.571 ( -6.173 -2.525 0.000) 6.670 11.213 ( 4.243 3.881 0.000) 5.751 11.279 ( 7.807 -3.183 0.000) 8.431 11.572 ( 10.183 2.581 0.000) 10.505 11.645 ( 12.899 -4.569 0.000) 13.685 11.902 ( -2.410 8.496 0.000) 8.831 12.059 ( -1.413 -5.540 0.000) 5.717 12.930 ( 1.543 15.320 0.000) 15.398 12.980 ( 5.502 10.986 0.000) 12.287 13.208 ( 8.534 -10.853 0.000) 13.806 13.230 ( 5.625 -13.389 0.000) 14.522 13.980 ( -0.983 7.698 0.000) 7.761 14.122 ( 5.427 -4.381 0.000) 6.974 14.474 ( 5.819 5.406 0.000) 7.943 14.566 ( -14.384 7.709 0.000) 16.320 14.572 ( 3.181 -4.659 0.000) 5.641 14.583 ( -6.402 7.833 0.000) 10.116 14.928 ( -13.885 -2.349 0.000) 14.082 15.048 ( -2.899 -9.980 0.000) 10.392 15.599 ( 18.339 6.146 0.000) 19.342 15.646 ( 24.079 2.126 0.000) 24.173 15.909 ( -6.137 13.807 0.000) 15.110 16.125 ( -12.032 -5.183 0.000) 13.101 16.376 ( -15.635 3.160 0.000) 15.951 16.572 ( -1.372 -14.626 0.000) 14.690 16.667 ( 0.635 5.378 0.000) 5.416 16.917 ( 5.408 -17.667 0.000) 18.477 18.250 ( 11.692 13.906 0.000) 18.168 18.270 ( -18.145 5.150 0.000) 18.861 18.355 ( -14.158 -3.374 0.000) 14.554 18.538 ( 11.537 -14.611 0.000) 18.617 18.947 ( -0.274 9.297 0.000) 9.301 19.170 ( -0.700 -12.908 0.000) 12.927 19.468 ( -17.388 7.686 0.000) 19.011 19.646 ( -18.590 -9.767 0.000) 21.000 21.620 ( 8.405 3.851 0.000) 9.245 21.657 ( 11.775 0.060 0.000) 11.776 21.789 ( 11.948 23.717 0.000) 26.556 22.262 ( 12.884 -24.189 0.000) 27.406 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.30 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 17.019 24.103 0.000) 29.506 3.826 ( 20.781 22.893 0.000) 30.918 4.097 ( 11.008 -25.896 0.000) 28.139 4.336 ( 2.978 -27.015 0.000) 27.179 5.622 ( -2.593 3.489 0.000) 4.347 5.808 ( -1.514 -13.802 0.000) 13.885 5.947 ( -6.370 9.999 0.000) 11.856 6.161 ( -4.915 -10.639 0.000) 11.719 7.198 ( -11.487 13.926 0.000) 18.053 7.235 ( 11.134 26.393 0.000) 28.645 7.444 ( -15.153 -6.615 0.000) 16.534 7.519 ( -0.815 -0.473 0.000) 0.942 7.799 ( 10.761 8.054 0.000) 13.442 8.082 ( 12.454 -16.447 0.000) 20.631 8.191 ( -1.405 29.818 0.000) 29.851 8.616 ( 20.428 -7.381 0.000) 21.721 8.999 ( 6.024 1.441 0.000) 6.194 9.111 ( -7.937 -14.167 0.000) 16.239 9.994 ( 8.383 -6.411 0.000) 10.553 10.053 ( 16.921 -13.196 0.000) 21.458 10.253 ( -12.998 8.733 0.000) 15.659 10.414 ( -9.277 -7.713 0.000) 12.064 11.310 ( 4.547 5.191 0.000) 6.901 11.366 ( -1.214 -1.457 0.000) 1.897 11.708 ( 4.099 4.744 0.000) 6.270 11.824 ( 5.445 -6.872 0.000) 8.768 11.845 ( -2.963 12.867 0.000) 13.204 12.041 ( -1.579 -5.010 0.000) 5.253 12.939 ( 0.237 21.922 0.000) 21.923 13.006 ( -3.371 13.204 0.000) 13.627 13.288 ( 0.454 -14.855 0.000) 14.861 13.333 ( 4.731 -16.712 0.000) 17.369 13.988 ( 1.598 16.386 0.000) 16.463 14.259 ( 8.394 -5.597 0.000) 10.088 14.330 ( -7.937 3.079 0.000) 8.513 14.410 ( -11.026 -2.251 0.000) 11.254 14.549 ( 1.117 -0.993 0.000) 1.495 14.619 ( 2.450 -5.905 0.000) 6.393 14.731 ( -5.501 8.927 0.000) 10.486 14.998 ( -2.712 -13.752 0.000) 14.017 15.744 ( -10.542 9.004 0.000) 13.863 15.814 ( -1.872 8.446 0.000) 8.651 15.894 ( -11.424 -4.960 0.000) 12.454 15.929 ( -4.773 -4.726 0.000) 6.717 16.353 ( 26.319 14.687 0.000) 30.140 16.724 ( 19.980 -20.661 0.000) 28.741 16.754 ( 8.735 13.262 0.000) 15.880 17.071 ( 10.008 -17.572 0.000) 20.222 17.934 ( -16.837 8.274 0.000) 18.760 18.093 ( -12.884 -7.927 0.000) 15.128 18.468 ( 10.147 10.848 0.000) 14.854 18.689 ( 1.727 -10.610 0.000) 10.750 18.954 ( 0.631 6.881 0.000) 6.910 19.100 ( -18.604 4.386 0.000) 19.114 19.123 ( -3.864 -10.190 0.000) 10.898 19.235 ( -23.871 -8.455 0.000) 25.324 21.786 ( 8.678 7.405 0.000) 11.408 21.899 ( 12.929 -3.851 0.000) 13.491 21.979 ( 7.379 22.938 0.000) 24.096 22.430 ( 4.516 -22.414 0.000) 22.864 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.40 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( 16.782 15.858 0.000) 23.089 4.215 ( 17.287 4.632 0.000) 17.897 4.308 ( 9.993 -22.329 0.000) 24.463 4.356 ( -2.297 -8.741 0.000) 9.038 5.607 ( 2.664 0.414 0.000) 2.696 5.739 ( -2.981 -12.569 0.000) 12.918 5.838 ( -5.637 8.211 0.000) 9.959 6.018 ( -10.748 -10.014 0.000) 14.690 7.001 ( -6.209 12.412 0.000) 13.878 7.160 ( -10.705 16.195 0.000) 19.413 7.182 ( -9.851 -4.282 0.000) 10.741 7.346 ( -13.580 -1.097 0.000) 13.624 8.016 ( 11.037 14.009 0.000) 17.834 8.257 ( 1.127 29.212 0.000) 29.233 8.359 ( 14.796 -18.637 0.000) 23.796 8.799 ( -5.993 -24.043 0.000) 24.778 9.259 ( 21.969 11.577 0.000) 24.833 9.425 ( 35.399 -0.976 0.000) 35.412 9.981 ( -15.359 12.630 0.000) 19.885 10.179 ( 13.026 4.758 0.000) 13.868 10.232 ( -9.932 -12.620 0.000) 16.059 10.485 ( 26.432 -20.958 0.000) 33.733 11.160 ( -20.973 8.182 0.000) 22.513 11.308 ( -7.612 -6.540 0.000) 10.036 11.755 ( 1.691 4.866 0.000) 5.151 11.806 ( -0.705 14.035 0.000) 14.053 11.862 ( -0.747 -5.602 0.000) 5.651 11.949 ( -7.725 -1.410 0.000) 7.853 12.924 ( -2.744 17.189 0.000) 17.406 12.942 ( -0.443 25.506 0.000) 25.510 13.290 ( 1.449 -19.268 0.000) 19.323 13.389 ( 0.802 -18.760 0.000) 18.778 14.030 ( 2.846 17.675 0.000) 17.902 14.228 ( -7.627 0.964 0.000) 7.687 14.280 ( 1.887 -4.354 0.000) 4.746 14.413 ( 5.431 -14.446 0.000) 15.433 14.528 ( -1.097 1.891 0.000) 2.187 14.675 ( -1.833 10.479 0.000) 10.638 14.685 ( 4.769 -9.094 0.000) 10.269 14.925 ( -5.339 -12.714 0.000) 13.790 15.551 ( -8.393 8.957 0.000) 12.275 15.606 ( -11.746 14.650 0.000) 18.778 15.727 ( -4.935 -7.247 0.000) 8.768 15.823 ( -6.368 -6.652 0.000) 9.209 16.977 ( 13.723 15.100 0.000) 20.404 16.984 ( 33.264 9.648 0.000) 34.634 17.253 ( 30.593 -16.853 0.000) 34.928 17.277 ( 10.937 -14.701 0.000) 18.323 17.631 ( -13.993 12.947 0.000) 19.063 17.882 ( -7.559 -12.035 0.000) 14.212 18.415 ( -27.430 4.256 0.000) 27.759 18.532 ( -12.871 -6.216 0.000) 14.293 18.838 ( -8.011 3.082 0.000) 8.583 18.953 ( 0.775 -7.308 0.000) 7.349 18.961 ( -0.341 2.110 0.000) 2.137 19.033 ( -5.034 -5.181 0.000) 7.224 21.939 ( 7.011 11.490 0.000) 13.460 22.064 ( 1.515 19.851 0.000) 19.909 22.137 ( 11.647 -8.286 0.000) 14.293 22.442 ( -2.936 -18.002 0.000) 18.240 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.203 ( -12.221 6.686 0.000) 13.931 4.203 ( 12.221 6.686 0.000) 13.931 4.413 ( -1.155 -13.309 0.000) 13.359 4.413 ( 1.155 -13.309 0.000) 13.359 5.718 ( -6.742 0.988 0.000) 6.814 5.718 ( 6.742 0.988 0.000) 6.814 5.791 ( -9.870 -7.065 0.000) 12.138 5.791 ( 9.870 -7.065 0.000) 12.138 6.994 ( -4.928 11.738 0.000) 12.730 6.994 ( 4.928 11.738 0.000) 12.730 7.138 ( -5.711 -1.157 0.000) 5.827 7.138 ( 5.711 -1.157 0.000) 5.827 8.193 ( -6.910 20.188 0.000) 21.338 8.193 ( 6.910 20.188 0.000) 21.338 8.617 ( -11.843 -21.218 0.000) 24.299 8.617 ( 11.843 -21.218 0.000) 24.299 9.660 ( -18.633 15.394 0.000) 24.170 9.660 ( 18.633 15.394 0.000) 24.170 9.990 ( -18.395 -17.254 0.000) 25.221 9.990 ( 18.395 -17.254 0.000) 25.221 10.605 ( -31.773 20.278 0.000) 37.692 10.605 ( 31.773 20.278 0.000) 37.692 10.993 ( -23.989 -17.356 0.000) 29.609 10.993 ( 23.989 -17.356 0.000) 29.609 11.802 ( -2.600 4.404 0.000) 5.114 11.802 ( 2.600 4.404 0.000) 5.114 11.837 ( -0.330 0.804 0.000) 0.869 11.837 ( 0.330 0.804 0.000) 0.869 12.918 ( -1.407 23.000 0.000) 23.043 12.918 ( 1.407 23.000 0.000) 23.043 13.355 ( -3.926 -19.530 0.000) 19.921 13.355 ( 3.926 -19.530 0.000) 19.921 14.106 ( -5.173 10.204 0.000) 11.440 14.106 ( 5.173 10.204 0.000) 11.440 14.365 ( -5.891 -14.932 0.000) 16.053 14.365 ( 5.891 -14.932 0.000) 16.053 14.612 ( -5.475 7.695 0.000) 9.444 14.612 ( 5.475 7.695 0.000) 9.444 14.800 ( -6.941 -10.398 0.000) 12.502 14.800 ( 6.941 -10.398 0.000) 12.502 15.473 ( -1.306 14.348 0.000) 14.408 15.473 ( 1.306 14.348 0.000) 14.408 15.718 ( -3.479 -9.005 0.000) 9.654 15.718 ( 3.479 -9.005 0.000) 9.654 17.240 ( -11.209 11.918 0.000) 16.361 17.240 ( 11.209 11.918 0.000) 16.361 17.451 ( -4.785 -7.478 0.000) 8.878 17.451 ( 4.785 -7.478 0.000) 8.878 17.832 ( -30.135 4.175 0.000) 30.423 17.832 ( 30.135 4.175 0.000) 30.423 18.047 ( -27.004 -13.955 0.000) 30.397 18.047 ( 27.004 -13.955 0.000) 30.397 18.894 ( -6.031 3.233 0.000) 6.843 18.894 ( 6.031 3.233 0.000) 6.843 18.978 ( -1.213 -4.824 0.000) 4.974 18.978 ( 1.213 -4.824 0.000) 4.974 22.043 ( -3.521 15.770 0.000) 16.159 22.043 ( 3.521 15.770 0.000) 16.159 22.331 ( -8.306 -13.062 0.000) 15.479 22.331 ( 8.306 -13.062 0.000) 15.479 ======================= Grid point 77 (25/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 0.000 0.000 49.321) 49.321 1.077 ( 0.000 0.000 52.194) 52.194 1.926 ( 0.000 0.000 93.679) 93.679 4.459 ( 0.000 0.000 14.036) 14.036 5.950 ( 0.000 0.000 -8.670) 8.670 6.236 ( 0.000 0.000 -18.922) 18.922 6.314 ( 0.000 0.000 0.771) 0.771 6.441 ( 0.000 0.000 10.348) 10.348 6.492 ( 0.000 0.000 -15.818) 15.818 6.589 ( 0.000 0.000 -0.208) 0.208 6.938 ( 0.000 0.000 -7.378) 7.378 7.020 ( 0.000 0.000 -2.275) 2.275 7.429 ( 0.000 0.000 6.514) 6.514 8.534 ( 0.000 0.000 4.225) 4.225 9.163 ( 0.000 0.000 -5.184) 5.184 9.184 ( 0.000 0.000 -23.372) 23.372 9.305 ( 0.000 0.000 -5.170) 5.170 9.801 ( 0.000 0.000 -32.694) 32.694 10.000 ( 0.000 0.000 -3.374) 3.374 10.431 ( 0.000 0.000 -8.009) 8.009 10.496 ( 0.000 0.000 11.509) 11.509 10.642 ( 0.000 0.000 25.081) 25.081 11.198 ( 0.000 0.000 -0.974) 0.974 11.207 ( 0.000 0.000 -4.790) 4.790 11.522 ( 0.000 0.000 -13.871) 13.871 11.729 ( 0.000 0.000 9.642) 9.642 12.139 ( 0.000 0.000 9.336) 9.336 12.466 ( 0.000 0.000 10.955) 10.955 12.470 ( 0.000 0.000 0.934) 0.934 12.470 ( 0.000 0.000 9.570) 9.570 12.483 ( 0.000 0.000 7.582) 7.582 13.590 ( 0.000 0.000 2.834) 2.834 13.698 ( 0.000 0.000 2.215) 2.215 13.877 ( 0.000 0.000 3.648) 3.648 13.999 ( 0.000 0.000 4.755) 4.755 14.180 ( 0.000 0.000 2.515) 2.515 14.321 ( 0.000 0.000 -8.779) 8.779 14.433 ( 0.000 0.000 -17.713) 17.713 14.460 ( 0.000 0.000 3.180) 3.180 14.734 ( 0.000 0.000 3.593) 3.593 14.855 ( 0.000 0.000 -5.936) 5.936 15.239 ( 0.000 0.000 20.023) 20.023 16.092 ( 0.000 0.000 -4.085) 4.085 16.222 ( 0.000 0.000 -6.841) 6.841 16.609 ( 0.000 0.000 -32.258) 32.258 17.048 ( 0.000 0.000 0.726) 0.726 17.058 ( 0.000 0.000 -17.739) 17.739 17.476 ( 0.000 0.000 -4.925) 4.925 18.434 ( 0.000 0.000 7.698) 7.698 18.484 ( 0.000 0.000 -6.179) 6.179 18.494 ( 0.000 0.000 24.426) 24.426 18.731 ( 0.000 0.000 0.747) 0.747 19.239 ( 0.000 0.000 -26.385) 26.385 19.270 ( 0.000 0.000 0.433) 0.433 19.951 ( 0.000 0.000 -1.127) 1.127 20.162 ( 0.000 0.000 -1.629) 1.629 20.545 ( 0.000 0.000 25.692) 25.692 21.077 ( 0.000 0.000 9.046) 9.046 21.297 ( 0.000 0.000 2.709) 2.709 23.596 ( 0.000 0.000 -4.589) 4.589 ======================= Grid point 78 (26/144) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 38.605 0.000 38.120) 54.254 1.568 ( 42.939 0.000 34.202) 54.896 2.624 ( 66.902 0.000 62.430) 91.506 4.523 ( 6.514 0.000 13.282) 14.793 5.959 ( -1.121 0.000 -10.225) 10.286 6.187 ( -8.329 0.000 -9.661) 12.756 6.284 ( -0.543 0.000 -10.284) 10.298 6.374 ( -7.611 0.000 -1.017) 7.679 6.486 ( 0.892 0.000 -3.125) 3.250 6.585 ( -2.190 0.000 0.795) 2.330 6.902 ( 0.935 0.000 -6.940) 7.003 7.005 ( -1.341 0.000 -2.694) 3.009 7.410 ( -2.262 0.000 6.989) 7.346 8.340 ( -12.806 0.000 2.577) 13.063 8.423 ( -26.905 0.000 16.506) 31.565 9.147 ( -13.575 0.000 -5.954) 14.824 9.426 ( 18.701 0.000 -21.549) 28.533 9.969 ( -2.218 0.000 -25.355) 25.452 9.992 ( -1.253 0.000 -2.556) 2.847 10.286 ( -14.586 0.000 -0.256) 14.588 10.545 ( 3.410 0.000 7.333) 8.087 10.631 ( -1.045 0.000 22.088) 22.113 11.155 ( -5.892 0.000 -1.695) 6.131 11.409 ( 10.712 0.000 -1.513) 10.818 11.469 ( -5.041 0.000 -10.620) 11.755 11.860 ( 6.138 0.000 0.172) 6.140 12.087 ( -3.527 0.000 10.851) 11.410 12.144 ( -15.593 0.000 6.539) 16.909 12.296 ( -8.692 0.000 8.573) 12.209 12.633 ( 13.512 0.000 6.247) 14.886 12.804 ( 16.712 0.000 4.613) 17.337 13.689 ( 6.402 0.000 6.609) 9.202 13.709 ( 1.999 0.000 -1.498) 2.498 13.872 ( -0.289 0.000 -7.436) 7.441 14.074 ( 4.533 0.000 10.540) 11.474 14.157 ( -2.709 0.000 -9.399) 9.782 14.364 ( -1.840 0.000 -11.260) 11.409 14.486 ( 10.709 0.000 -7.609) 13.137 14.690 ( 11.722 0.000 -5.548) 12.969 14.912 ( 18.505 0.000 -2.966) 18.741 14.963 ( 7.635 0.000 -2.926) 8.177 15.343 ( 11.306 0.000 19.037) 22.142 16.052 ( -14.525 0.000 -3.433) 14.925 16.060 ( -2.846 0.000 -2.918) 4.076 16.531 ( -7.919 0.000 -25.761) 26.951 16.890 ( -6.718 0.000 -14.638) 16.106 17.180 ( 2.445 0.000 -2.025) 3.175 17.475 ( -0.672 0.000 -8.189) 8.216 17.965 ( -15.286 0.000 19.904) 25.097 18.363 ( -12.573 0.000 -4.683) 13.417 18.645 ( -4.577 0.000 0.592) 4.615 18.867 ( 2.873 0.000 12.248) 12.581 19.063 ( 4.505 0.000 18.608) 19.146 19.318 ( 3.965 0.000 -18.814) 19.227 20.074 ( -8.724 0.000 -3.187) 9.288 20.181 ( 4.661 0.000 -10.144) 11.163 20.590 ( 5.047 0.000 20.533) 21.144 21.196 ( 12.088 0.000 3.987) 12.728 21.305 ( 0.754 0.000 1.994) 2.132 23.568 ( -3.736 0.000 -9.580) 10.282 ======================= Grid point 79 (27/144) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 41.087 0.000 30.315) 51.060 2.493 ( 50.803 0.000 17.894) 53.863 4.106 ( 80.875 0.000 31.479) 86.785 4.689 ( 10.022 0.000 10.809) 14.740 5.853 ( -9.024 0.000 -8.332) 12.282 5.999 ( -11.686 0.000 -6.748) 13.494 6.140 ( -16.175 0.000 -7.041) 17.641 6.171 ( -9.474 0.000 -8.828) 12.950 6.541 ( 2.934 0.000 2.450) 3.823 6.578 ( 1.900 0.000 -5.693) 6.002 6.962 ( 0.542 0.000 -3.630) 3.670 7.022 ( 6.900 0.000 -3.569) 7.769 7.325 ( -7.224 0.000 8.769) 11.362 8.220 ( 2.169 0.000 2.213) 3.099 8.238 ( 0.553 0.000 -0.750) 0.932 8.789 ( -21.867 0.000 -4.300) 22.285 9.774 ( 16.657 0.000 -20.821) 26.664 9.826 ( -12.051 0.000 -11.398) 16.588 9.920 ( -6.898 0.000 -0.589) 6.923 9.933 ( -18.441 0.000 7.547) 19.925 10.618 ( 0.207 0.000 14.891) 14.892 10.651 ( 7.138 0.000 -0.406) 7.149 11.042 ( -3.340 0.000 2.926) 4.440 11.362 ( -5.106 0.000 -6.293) 8.105 11.579 ( 4.144 0.000 -7.928) 8.945 11.861 ( -2.792 0.000 3.919) 4.812 11.883 ( -11.611 0.000 7.220) 13.672 12.010 ( -3.724 0.000 -0.818) 3.812 12.151 ( -7.710 0.000 7.119) 10.493 12.924 ( 12.214 0.000 13.953) 18.543 13.095 ( 13.692 0.000 0.541) 13.703 13.760 ( 1.671 0.000 -5.113) 5.380 13.767 ( 2.625 0.000 2.695) 3.762 13.919 ( 5.428 0.000 -2.469) 5.963 14.008 ( -9.285 0.000 -20.533) 22.535 14.166 ( 5.839 0.000 12.850) 14.114 14.484 ( 10.526 0.000 0.517) 10.539 14.696 ( 10.478 0.000 -6.760) 12.470 14.872 ( 8.520 0.000 -9.918) 13.076 15.065 ( 3.114 0.000 2.081) 3.746 15.173 ( 5.423 0.000 -0.451) 5.442 15.647 ( 17.098 0.000 11.341) 20.517 15.817 ( -6.318 0.000 3.961) 7.457 16.035 ( 3.527 0.000 3.325) 4.847 16.323 ( -13.220 0.000 -19.271) 23.369 16.749 ( -10.865 0.000 -15.900) 19.258 17.176 ( 2.186 0.000 1.600) 2.709 17.405 ( -8.298 0.000 -18.261) 20.058 17.930 ( 8.756 0.000 13.324) 15.944 18.110 ( -10.603 0.000 6.525) 12.450 18.583 ( -2.695 0.000 0.538) 2.748 18.824 ( -0.038 0.000 12.059) 12.059 19.268 ( 7.760 0.000 13.468) 15.544 19.291 ( -7.435 0.000 -6.315) 9.754 19.842 ( -14.530 0.000 -5.369) 15.490 20.114 ( -9.110 0.000 2.522) 9.453 20.741 ( 10.286 0.000 8.621) 13.421 21.323 ( 1.020 0.000 0.128) 1.028 21.493 ( 17.986 0.000 -2.640) 18.178 23.447 ( -8.804 0.000 -11.937) 14.832 ======================= Grid point 80 (28/144) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 41.487 0.000 21.637) 46.790 3.444 ( 47.202 0.000 6.945) 47.710 4.850 ( 4.714 0.000 4.707) 6.661 5.527 ( 62.280 0.000 14.327) 63.907 5.682 ( -21.484 0.000 2.839) 21.670 5.706 ( -3.504 0.000 -2.575) 4.349 5.814 ( -15.589 0.000 -4.816) 16.316 6.053 ( -1.774 0.000 -17.604) 17.693 6.526 ( -5.064 0.000 2.019) 5.452 6.590 ( -2.471 0.000 -9.998) 10.299 7.066 ( 15.184 0.000 3.616) 15.608 7.110 ( -15.653 0.000 12.292) 19.903 7.165 ( 5.708 0.000 0.192) 5.711 8.130 ( -17.906 0.000 -4.153) 18.381 8.414 ( 16.299 0.000 0.066) 16.299 8.558 ( 4.695 0.000 -9.109) 10.248 9.520 ( -14.437 0.000 15.765) 21.377 9.686 ( -10.518 0.000 -11.931) 15.905 9.712 ( -13.507 0.000 1.525) 13.593 10.073 ( 14.075 0.000 -18.329) 23.110 10.634 ( 0.748 0.000 7.445) 7.483 10.803 ( 8.398 0.000 -5.599) 10.094 11.020 ( -0.696 0.000 3.092) 3.169 11.299 ( -1.095 0.000 -5.809) 5.911 11.464 ( -15.974 0.000 -5.167) 16.789 11.696 ( -8.295 0.000 5.475) 9.939 11.794 ( -4.370 0.000 2.450) 5.010 11.984 ( -8.741 0.000 4.932) 10.037 12.033 ( 5.499 0.000 -7.340) 9.172 12.941 ( -11.021 0.000 19.380) 22.295 13.332 ( 10.849 0.000 -6.328) 12.560 13.753 ( -0.924 0.000 -3.393) 3.516 13.831 ( -8.424 0.000 -15.976) 18.061 13.907 ( 13.702 0.000 -3.359) 14.108 14.075 ( 11.073 0.000 1.901) 11.235 14.346 ( 9.898 0.000 8.220) 12.866 14.622 ( 3.136 0.000 9.522) 10.025 14.883 ( 8.493 0.000 -9.590) 12.810 14.989 ( 2.975 0.000 -8.167) 8.692 15.128 ( 4.244 0.000 3.792) 5.691 15.141 ( -5.191 0.000 -3.370) 6.189 15.806 ( 0.489 0.000 9.493) 9.506 15.828 ( 4.681 0.000 -3.480) 5.833 16.065 ( -11.906 0.000 -8.268) 14.495 16.362 ( 27.918 0.000 14.133) 31.292 16.462 ( -17.288 0.000 -4.750) 17.929 17.139 ( -18.192 0.000 -22.618) 29.026 17.380 ( 18.618 0.000 -3.803) 19.002 17.998 ( -2.514 0.000 14.142) 14.363 18.193 ( 17.096 0.000 7.745) 18.769 18.529 ( -2.907 0.000 0.843) 3.027 18.884 ( 5.789 0.000 9.515) 11.138 19.051 ( -16.609 0.000 2.848) 16.851 19.276 ( -8.231 0.000 1.896) 8.446 19.572 ( -11.760 0.000 3.434) 12.251 19.877 ( -15.277 0.000 7.303) 16.933 20.954 ( 11.074 0.000 -0.523) 11.087 21.338 ( 0.346 0.000 -2.216) 2.243 21.863 ( 20.329 0.000 -6.408) 21.315 23.239 ( -12.770 0.000 -12.251) 17.696 ======================= Grid point 81 (29/144) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 39.105 0.000 15.508) 42.067 4.228 ( 32.361 0.000 -3.853) 32.590 4.825 ( -6.446 0.000 -4.495) 7.858 5.198 ( -28.730 0.000 7.430) 29.676 5.634 ( -0.072 0.000 0.947) 0.950 5.775 ( 7.948 0.000 2.447) 8.316 6.087 ( 5.612 0.000 -16.408) 17.341 6.313 ( 15.419 0.000 -6.407) 16.697 6.369 ( -9.628 0.000 4.640) 10.688 6.517 ( 2.323 0.000 -11.199) 11.437 6.734 ( -22.429 0.000 16.878) 28.070 7.130 ( -11.163 0.000 0.839) 11.194 7.561 ( 26.911 0.000 13.356) 30.043 7.846 ( -6.155 0.000 4.679) 7.732 8.767 ( 19.067 0.000 -1.423) 19.120 8.809 ( 20.311 0.000 -12.780) 23.997 9.415 ( 3.853 0.000 6.860) 7.868 9.428 ( -15.689 0.000 1.338) 15.746 9.486 ( -7.625 0.000 -5.652) 9.491 10.322 ( 11.838 0.000 -13.280) 17.791 10.619 ( -2.885 0.000 0.769) 2.986 10.774 ( -31.872 0.000 -2.331) 31.958 10.973 ( 5.922 0.000 -3.944) 7.116 11.152 ( -7.079 0.000 0.146) 7.081 11.324 ( 3.504 0.000 -6.072) 7.010 11.551 ( -7.117 0.000 0.164) 7.119 11.724 ( -2.056 0.000 -0.654) 2.158 11.830 ( -6.798 0.000 -2.536) 7.255 12.179 ( 9.052 0.000 0.090) 9.052 12.646 ( -16.010 0.000 14.830) 21.823 13.482 ( 4.677 0.000 -13.427) 14.218 13.675 ( -6.883 0.000 -9.943) 12.093 13.830 ( 9.168 0.000 2.445) 9.488 14.241 ( 19.210 0.000 -7.905) 20.773 14.327 ( 14.359 0.000 1.934) 14.489 14.337 ( -10.673 0.000 3.108) 11.116 14.771 ( 13.192 0.000 15.472) 20.333 14.878 ( -7.998 0.000 -6.696) 10.431 14.965 ( -9.282 0.000 -8.514) 12.596 15.163 ( -2.697 0.000 10.820) 11.151 15.175 ( 11.740 0.000 -4.338) 12.516 15.702 ( -10.683 0.000 -1.316) 10.764 15.945 ( -1.365 0.000 11.892) 11.970 15.989 ( 13.469 0.000 -12.124) 18.122 16.154 ( -13.262 0.000 4.517) 14.010 16.704 ( -16.536 0.000 -19.931) 25.897 17.009 ( 27.838 0.000 13.661) 31.010 17.831 ( 26.715 0.000 -6.966) 27.609 17.918 ( -9.017 0.000 14.538) 17.107 18.482 ( -1.382 0.000 1.929) 2.373 18.509 ( 11.075 0.000 0.970) 11.118 18.718 ( -15.831 0.000 6.921) 17.278 19.008 ( -4.757 0.000 2.224) 5.251 19.043 ( 2.169 0.000 4.074) 4.616 19.389 ( -9.294 0.000 10.505) 14.026 19.544 ( -18.911 0.000 8.672) 20.804 21.143 ( 8.394 0.000 -4.580) 9.563 21.328 ( -1.601 0.000 -4.286) 4.575 22.255 ( 20.322 0.000 -8.860) 22.169 22.963 ( -16.001 0.000 -11.720) 19.834 ======================= Grid point 82 (30/144) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( -34.643 0.000 11.200) 36.408 4.590 ( 34.643 0.000 11.200) 36.408 4.644 ( -13.101 0.000 -9.017) 15.904 4.644 ( 13.101 0.000 -9.017) 15.904 5.791 ( -10.294 0.000 0.444) 10.304 5.791 ( 10.294 0.000 0.444) 10.304 6.238 ( -9.309 0.000 -17.861) 20.141 6.238 ( 9.309 0.000 -17.861) 20.141 6.352 ( -12.975 0.000 16.593) 21.064 6.352 ( 12.975 0.000 16.593) 21.064 6.814 ( -18.685 0.000 -1.443) 18.741 6.814 ( 18.685 0.000 -1.443) 18.741 7.816 ( -2.644 0.000 11.109) 11.419 7.816 ( 2.644 0.000 11.109) 11.419 9.115 ( -17.185 0.000 -0.490) 17.192 9.115 ( 17.185 0.000 -0.490) 17.192 9.207 ( -16.603 0.000 -10.033) 19.398 9.207 ( 16.603 0.000 -10.033) 19.398 9.957 ( -43.828 0.000 4.140) 44.023 9.957 ( 43.828 0.000 4.140) 44.023 10.515 ( -7.977 0.000 -6.369) 10.208 10.515 ( 7.977 0.000 -6.369) 10.208 11.076 ( -3.999 0.000 -2.876) 4.926 11.076 ( 3.999 0.000 -2.876) 4.926 11.421 ( -6.263 0.000 -4.513) 7.720 11.421 ( 6.263 0.000 -4.513) 7.720 11.733 ( -3.008 0.000 -3.279) 4.450 11.733 ( 3.008 0.000 -3.279) 4.450 12.379 ( -11.993 0.000 7.652) 14.226 12.379 ( 11.993 0.000 7.652) 14.226 13.561 ( -4.778 0.000 -11.046) 12.035 13.561 ( 4.778 0.000 -11.046) 12.035 14.075 ( -14.743 0.000 3.685) 15.197 14.075 ( 14.743 0.000 3.685) 15.197 14.527 ( -2.401 0.000 -8.924) 9.242 14.527 ( 2.401 0.000 -8.924) 9.242 14.754 ( -4.346 0.000 -2.942) 5.248 14.754 ( 4.346 0.000 -2.942) 5.248 15.020 ( -11.300 0.000 14.532) 18.408 15.020 ( 11.300 0.000 14.532) 18.408 15.445 ( -15.086 0.000 -2.144) 15.237 15.445 ( 15.086 0.000 -2.144) 15.237 15.981 ( -5.225 0.000 11.254) 12.408 15.981 ( 5.225 0.000 11.254) 12.408 16.320 ( -19.931 0.000 -17.809) 26.728 16.320 ( 19.931 0.000 -17.809) 26.728 17.574 ( -26.220 0.000 14.301) 29.867 17.574 ( 26.220 0.000 14.301) 29.867 18.334 ( -23.594 0.000 -9.020) 25.259 18.334 ( 23.594 0.000 -9.020) 25.259 18.513 ( -5.506 0.000 5.526) 7.800 18.513 ( 5.506 0.000 5.526) 7.800 19.128 ( -15.539 0.000 9.124) 18.020 19.128 ( 15.539 0.000 9.124) 18.020 19.238 ( -9.664 0.000 8.633) 12.958 19.238 ( 9.664 0.000 8.633) 12.958 21.269 ( -4.745 0.000 -5.366) 7.163 21.269 ( 4.745 0.000 -5.366) 7.163 22.630 ( -18.625 0.000 -10.575) 21.418 22.630 ( 18.625 0.000 -10.575) 21.418 ======================= Grid point 88 (31/144) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 32.833 35.746) 48.537 1.543 ( 0.000 44.321 31.089) 54.138 2.592 ( 0.000 55.233 69.250) 88.578 4.474 ( 0.000 -0.251 13.351) 13.354 5.933 ( 0.000 -14.191 -15.122) 20.738 5.944 ( 0.000 -19.346 -3.983) 19.751 6.145 ( 0.000 -7.917 -17.731) 19.418 6.352 ( 0.000 -3.206 4.877) 5.836 6.767 ( 0.000 -5.192 -9.390) 10.730 6.878 ( 0.000 20.684 -10.234) 23.077 6.934 ( 0.000 8.747 -6.171) 10.705 7.196 ( 0.000 22.124 -5.262) 22.741 7.413 ( 0.000 -1.695 6.853) 7.060 8.522 ( 0.000 -3.686 19.670) 20.013 8.998 ( 0.000 -14.678 -14.105) 20.357 9.187 ( 0.000 -7.745 -5.869) 9.718 9.239 ( 0.000 1.301 -11.435) 11.508 9.473 ( 0.000 -18.086 -20.306) 27.192 10.125 ( 0.000 11.424 -2.975) 11.805 10.143 ( 0.000 -11.193 -7.828) 13.659 10.385 ( 0.000 -11.367 13.010) 17.276 10.658 ( 0.000 0.816 18.610) 18.628 11.046 ( 0.000 -9.702 -9.265) 13.415 11.300 ( 0.000 8.656 -5.387) 10.195 11.494 ( 0.000 -2.901 -4.334) 5.215 11.593 ( 0.000 -8.924 10.575) 13.837 12.032 ( 0.000 -8.373 9.355) 12.555 12.348 ( 0.000 -3.073 3.479) 4.642 12.494 ( 0.000 4.072 8.865) 9.756 12.575 ( 0.000 7.450 11.891) 14.032 12.920 ( 0.000 11.680 -1.247) 11.746 13.595 ( 0.000 -4.502 7.805) 9.010 13.724 ( 0.000 12.019 3.570) 12.538 14.105 ( 0.000 9.852 3.443) 10.436 14.251 ( 0.000 9.618 -7.029) 11.913 14.256 ( 0.000 -3.928 -10.158) 10.891 14.362 ( 0.000 11.997 1.029) 12.041 14.539 ( 0.000 8.284 -15.833) 17.870 14.555 ( 0.000 4.985 0.978) 5.080 14.597 ( 0.000 8.430 -9.414) 12.637 14.937 ( 0.000 2.479 -5.449) 5.987 15.282 ( 0.000 4.027 19.317) 19.732 16.092 ( 0.000 -1.029 1.430) 1.762 16.198 ( 0.000 -1.546 -13.561) 13.648 16.556 ( 0.000 -5.289 -32.456) 32.884 17.040 ( 0.000 -1.668 -15.805) 15.893 17.048 ( 0.000 -0.639 3.132) 3.197 17.357 ( 0.000 -12.105 -2.251) 12.313 18.188 ( 0.000 -11.916 5.989) 13.336 18.433 ( 0.000 -5.769 20.094) 20.906 18.563 ( 0.000 3.274 -0.645) 3.337 18.722 ( 0.000 0.700 9.720) 9.745 19.168 ( 0.000 -4.770 -17.500) 18.139 19.292 ( 0.000 -0.057 -5.182) 5.182 19.948 ( 0.000 -14.049 5.411) 15.055 20.042 ( 0.000 2.883 -16.219) 16.473 20.809 ( 0.000 19.406 17.587) 26.189 21.148 ( 0.000 6.493 7.841) 10.181 21.343 ( 0.000 4.020 2.556) 4.763 22.990 ( 0.000 -36.579 27.800) 45.944 ======================= Grid point 89 (32/144) ======================= q-point: ( 0.10 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 33.943 20.359 29.989) 49.659 1.904 ( 28.611 32.250 32.905) 54.235 3.179 ( 55.756 47.128 47.558) 87.130 4.526 ( 5.299 -1.365 12.723) 13.850 5.804 ( -7.410 -20.513 -4.891) 22.352 5.990 ( -1.839 -12.227 -12.334) 17.464 6.145 ( -3.967 -4.286 -10.814) 12.290 6.329 ( 0.810 -6.722 -0.611) 6.798 6.730 ( -3.810 0.532 -10.352) 11.043 6.858 ( -3.153 10.683 -6.688) 12.992 6.945 ( 2.761 19.022 -6.627) 20.332 7.126 ( -5.097 18.200 -4.179) 19.356 7.411 ( -0.880 1.040 7.706) 7.826 8.256 ( -14.818 -5.659 13.916) 21.101 8.581 ( -25.409 11.988 0.741) 28.105 8.962 ( -11.553 -16.142 -5.222) 20.526 9.412 ( 19.248 -3.290 -15.620) 25.006 9.774 ( 2.027 -19.039 -17.799) 26.142 10.031 ( -10.664 -11.845 -3.779) 16.380 10.122 ( -1.158 11.075 -2.655) 11.447 10.424 ( 3.669 -12.192 8.605) 15.367 10.642 ( -1.187 0.190 16.670) 16.713 11.148 ( -0.745 -10.758 -7.627) 13.208 11.253 ( 2.256 4.055 -6.361) 7.874 11.530 ( 1.597 -1.284 -5.092) 5.489 11.650 ( 4.653 -5.134 10.662) 12.716 12.032 ( 0.416 -5.371 8.870) 10.377 12.251 ( -6.769 -1.163 6.352) 9.355 12.538 ( -5.079 12.174 4.243) 13.857 12.651 ( 6.972 4.290 7.026) 10.788 12.893 ( 6.802 7.748 2.782) 10.679 13.648 ( 4.675 -4.051 7.018) 9.355 13.811 ( 5.197 9.203 2.360) 10.829 13.972 ( -7.576 8.600 -12.188) 16.730 14.169 ( 3.042 6.927 6.284) 9.835 14.263 ( -9.379 1.562 -7.447) 12.077 14.381 ( 2.277 5.648 -1.260) 6.219 14.514 ( 8.963 3.538 -5.650) 11.170 14.724 ( 10.047 4.634 -6.097) 12.633 14.871 ( 11.602 1.928 -11.106) 16.176 15.054 ( 13.965 4.447 -2.988) 14.957 15.374 ( 9.077 2.914 19.082) 21.331 16.009 ( -11.233 -3.358 0.550) 11.737 16.097 ( -4.649 2.642 -7.255) 9.013 16.483 ( -8.404 -4.994 -27.736) 29.408 16.870 ( -6.308 -2.596 -12.295) 14.061 17.157 ( -0.869 -2.897 -1.909) 3.577 17.391 ( 2.348 -8.612 -5.307) 10.385 17.919 ( -9.883 -2.927 15.706) 18.786 18.364 ( -11.046 0.229 -6.143) 12.642 18.602 ( -4.902 -1.548 9.189) 10.529 18.832 ( 10.176 -4.157 11.366) 15.812 19.038 ( -4.368 -2.274 5.200) 7.162 19.323 ( 3.325 0.054 -11.814) 12.273 19.884 ( -6.184 -13.657 3.020) 15.293 20.133 ( 0.345 -4.767 -11.527) 12.479 20.839 ( 3.670 19.301 14.587) 24.470 21.253 ( 10.543 5.385 3.746) 12.417 21.358 ( 1.631 4.651 1.842) 5.261 23.139 ( 9.245 -31.735 7.085) 33.805 ======================= Grid point 90 (33/144) ======================= q-point: ( 0.20 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 37.221 15.561 29.550) 50.008 2.560 ( 44.644 11.552 18.536) 49.700 4.433 ( 65.669 27.845 20.927) 74.336 4.675 ( 12.670 -1.955 11.278) 17.075 5.624 ( -11.765 -21.598 -0.336) 24.597 5.898 ( -7.432 -5.553 -11.930) 15.113 5.977 ( -9.406 -1.032 -2.569) 9.805 6.360 ( -1.134 -4.454 -4.080) 6.146 6.624 ( -5.753 2.105 -10.561) 12.209 6.812 ( -1.964 19.109 -5.438) 19.965 6.990 ( -0.035 12.267 -4.969) 13.235 7.089 ( 2.559 7.112 -4.299) 8.695 7.356 ( -5.242 4.896 11.025) 13.153 8.147 ( 1.006 -5.811 -0.101) 5.898 8.330 ( -1.704 6.953 1.187) 7.256 8.643 ( -18.657 -12.562 -2.669) 22.650 9.620 ( -13.839 -18.931 5.487) 24.084 9.772 ( 3.902 -5.528 -14.106) 15.645 9.819 ( 2.669 -2.209 -14.299) 14.712 10.052 ( -6.959 10.758 -1.142) 12.864 10.540 ( 8.009 -11.370 1.694) 14.010 10.635 ( 0.843 0.259 13.144) 13.174 11.056 ( -3.947 0.942 0.810) 4.138 11.291 ( -1.539 -5.452 -8.032) 9.828 11.551 ( 1.009 -2.958 -11.209) 11.637 11.736 ( 2.668 -0.053 10.715) 11.042 12.009 ( -1.556 0.029 3.114) 3.481 12.130 ( -6.329 0.314 6.478) 9.062 12.280 ( -15.885 21.047 3.161) 26.558 12.874 ( 10.230 -3.479 8.966) 14.041 13.109 ( 12.409 1.841 0.377) 12.550 13.731 ( 3.723 -2.978 4.275) 6.403 13.851 ( 1.015 6.230 -7.791) 10.027 13.938 ( 0.402 4.591 -6.678) 8.114 14.026 ( -10.030 -0.537 -10.233) 14.339 14.319 ( 9.239 12.283 15.139) 21.574 14.487 ( 7.138 1.113 -0.609) 7.250 14.696 ( 8.786 -0.783 -2.692) 9.223 14.877 ( 5.845 1.485 -14.978) 16.146 15.051 ( 9.241 0.750 1.013) 9.327 15.250 ( 0.540 5.372 -1.013) 5.493 15.595 ( 10.690 -4.184 4.536) 12.344 15.847 ( 1.290 3.071 9.904) 10.449 16.060 ( 2.527 2.353 3.877) 5.192 16.265 ( -12.995 -5.526 -18.951) 23.634 16.733 ( -11.167 -1.950 -15.978) 19.591 17.100 ( 0.967 -7.443 2.508) 7.913 17.378 ( -4.014 -3.709 -13.915) 14.950 17.966 ( 11.288 3.489 12.023) 16.856 18.096 ( -13.226 -0.630 2.495) 13.474 18.530 ( -4.194 -4.494 1.671) 6.370 18.832 ( -0.174 0.847 11.128) 11.162 19.176 ( 7.819 -8.047 6.700) 13.068 19.285 ( -8.018 -0.763 -0.753) 8.089 19.713 ( -11.566 -11.259 -2.176) 16.287 20.021 ( -10.162 -7.498 1.832) 12.761 20.955 ( 8.201 18.061 6.273) 20.804 21.385 ( 2.091 5.690 0.160) 6.064 21.531 ( 16.525 3.465 -2.208) 17.028 23.214 ( -1.520 -20.493 -6.962) 21.697 ======================= Grid point 91 (34/144) ======================= q-point: ( 0.30 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 35.913 8.970 22.644) 43.393 3.455 ( 45.815 1.624 9.119) 46.742 4.801 ( 5.564 -5.676 3.518) 8.692 5.291 ( -10.727 -19.903 0.247) 22.611 5.608 ( 19.087 1.266 -2.983) 19.360 5.760 ( -3.633 -0.880 -6.347) 7.366 5.942 ( 16.135 11.250 9.537) 21.860 6.253 ( -6.160 9.545 -8.876) 14.417 6.563 ( -2.576 -0.540 -5.569) 6.160 6.726 ( -7.654 15.546 -6.640) 18.557 7.064 ( 10.250 0.904 4.803) 11.356 7.079 ( -5.836 2.518 4.605) 7.849 7.251 ( -2.542 9.738 6.433) 11.945 8.056 ( -13.545 -6.715 -2.684) 15.355 8.471 ( 13.431 4.381 0.026) 14.128 8.502 ( 9.087 -4.395 -7.699) 12.695 9.358 ( -9.929 -12.408 13.656) 20.953 9.585 ( -10.764 -8.158 -11.818) 17.947 9.848 ( -13.569 10.177 1.215) 17.005 10.124 ( 15.412 2.986 -16.376) 22.686 10.648 ( 0.825 -0.664 6.199) 6.288 10.716 ( 8.806 -8.824 -3.171) 12.863 11.022 ( -0.206 1.143 3.520) 3.707 11.264 ( -1.070 -3.723 -7.597) 8.528 11.472 ( -10.924 1.167 -6.871) 12.958 11.722 ( -2.273 0.358 3.824) 4.463 11.966 ( -14.020 14.930 -3.382) 20.758 11.985 ( -8.659 -0.292 2.008) 8.894 12.083 ( 5.858 8.165 2.906) 10.460 12.886 ( -9.629 -3.471 14.358) 17.632 13.341 ( 11.635 0.668 -3.962) 12.309 13.787 ( -2.086 -3.752 -11.285) 12.074 13.845 ( -2.580 8.344 -3.775) 9.514 13.913 ( 7.128 -1.053 -0.491) 7.222 14.028 ( 7.971 -1.552 -2.795) 8.588 14.508 ( 5.858 11.841 8.579) 15.752 14.597 ( 6.734 -1.676 9.811) 12.017 14.853 ( 8.472 -4.206 -4.223) 10.359 14.947 ( 0.409 -1.368 -14.857) 14.926 15.071 ( -8.952 -3.181 2.339) 9.784 15.254 ( 4.752 6.048 2.064) 7.963 15.712 ( 4.620 -3.143 -8.649) 10.297 15.893 ( -3.798 2.982 5.659) 7.439 16.039 ( -8.355 -3.836 -2.609) 9.557 16.328 ( 14.425 -1.741 8.809) 16.991 16.506 ( -0.453 3.753 0.218) 3.786 17.184 ( -10.520 1.720 -18.470) 21.325 17.319 ( 15.414 -4.539 -5.234) 16.899 17.937 ( -3.413 -5.645 12.733) 14.340 18.242 ( 15.886 4.642 7.457) 18.153 18.440 ( -4.346 -8.140 0.688) 9.253 18.885 ( 3.882 -0.605 9.109) 9.920 19.024 ( -16.440 -1.144 4.131) 16.990 19.209 ( -7.316 -6.673 -1.359) 9.995 19.480 ( -10.330 -8.468 4.816) 14.199 19.780 ( -14.767 -8.331 7.892) 18.702 21.129 ( 9.243 15.807 -1.011) 18.339 21.418 ( 1.295 7.435 -2.123) 7.840 21.876 ( 18.998 1.057 -5.944) 19.934 23.106 ( -9.084 -12.546 -10.483) 18.704 ======================= Grid point 92 (35/144) ======================= q-point: ( 0.40 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 32.348 -0.920 15.086) 35.705 4.243 ( 34.344 0.074 0.942) 34.357 4.777 ( -9.636 -8.149 -4.568) 13.421 5.024 ( -12.423 -9.120 9.225) 17.961 5.654 ( -1.719 -1.639 -5.185) 5.703 5.744 ( 3.213 -3.135 0.670) 4.538 6.086 ( -0.837 -0.269 -10.899) 10.935 6.344 ( -1.858 -0.113 -9.363) 9.546 6.522 ( -8.239 11.614 2.349) 14.431 6.582 ( 6.696 7.022 -2.690) 10.069 6.773 ( -16.462 5.151 9.996) 19.936 7.142 ( -10.431 2.372 0.506) 10.709 7.564 ( 25.538 3.596 13.640) 29.175 7.858 ( -4.598 1.949 4.602) 6.791 8.761 ( 18.525 -1.759 -9.088) 20.708 8.840 ( 20.955 3.672 -3.615) 21.579 9.350 ( 0.004 -3.929 -3.577) 5.313 9.384 ( 2.475 -6.105 3.465) 7.443 9.561 ( -15.740 8.147 1.612) 17.796 10.382 ( 11.336 1.723 -11.207) 16.033 10.621 ( -4.818 -3.011 1.382) 5.847 10.818 ( -24.655 4.909 -4.484) 25.536 10.917 ( 6.705 -4.863 -5.067) 9.710 11.175 ( -2.801 5.706 3.343) 7.182 11.350 ( 1.380 0.912 -7.367) 7.550 11.643 ( -9.959 6.791 -0.399) 12.060 11.726 ( -5.686 0.932 -8.135) 9.969 11.820 ( -7.637 0.061 -2.274) 7.969 12.244 ( 9.368 7.183 3.308) 12.260 12.635 ( -12.949 0.823 13.337) 18.607 13.525 ( 6.534 3.194 -9.503) 11.967 13.705 ( -4.789 0.506 -9.612) 10.751 13.855 ( 5.660 3.107 1.529) 6.636 14.128 ( 7.899 -7.586 -0.561) 10.966 14.238 ( 13.366 -4.821 -1.974) 14.346 14.481 ( -1.306 7.937 2.968) 8.573 14.790 ( -1.457 -5.239 4.791) 7.248 14.826 ( -0.059 0.585 8.050) 8.072 14.910 ( -7.150 -3.960 -15.381) 17.418 15.054 ( 8.506 -2.404 -3.672) 9.572 15.280 ( -0.470 0.106 11.032) 11.042 15.723 ( -12.382 -1.100 0.963) 12.468 15.822 ( 4.266 -0.917 0.843) 4.444 15.908 ( -4.535 -7.694 -1.030) 8.990 16.319 ( 3.457 11.603 -1.153) 12.162 16.844 ( -11.975 11.829 -16.465) 23.546 17.025 ( 25.967 1.651 12.992) 29.083 17.772 ( 27.672 -5.943 -5.930) 28.917 17.882 ( -5.762 -4.275 13.432) 15.228 18.338 ( -2.519 -11.186 1.020) 11.511 18.539 ( 2.904 -0.555 4.704) 5.556 18.660 ( -12.142 -2.944 4.605) 13.315 18.924 ( -11.474 -8.209 -1.923) 14.238 19.044 ( 6.040 0.081 6.953) 9.211 19.339 ( -6.569 -5.111 10.461) 13.368 19.462 ( -18.151 -7.126 8.888) 21.429 21.288 ( 6.963 13.413 -4.562) 15.786 21.427 ( -0.585 9.255 -4.159) 10.163 22.242 ( 18.907 -1.473 -8.422) 20.750 22.884 ( -13.782 -7.651 -10.890) 19.159 ======================= Grid point 93 (36/144) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( -22.731 -9.583 4.860) 25.143 4.397 ( 22.731 -9.583 4.860) 25.143 4.776 ( -15.969 2.731 0.857) 16.224 4.776 ( 15.969 2.731 0.857) 16.224 5.718 ( -7.161 -5.167 -2.224) 9.106 5.718 ( 7.161 -5.167 -2.224) 9.106 6.174 ( -10.669 -5.093 -6.004) 13.259 6.174 ( 10.669 -5.093 -6.004) 13.259 6.479 ( -7.572 10.595 4.482) 13.772 6.479 ( 7.572 10.595 4.482) 13.772 6.876 ( -15.284 4.594 -0.708) 15.975 6.876 ( 15.284 4.594 -0.708) 15.975 7.814 ( -3.543 2.236 10.146) 10.977 7.814 ( 3.543 2.236 10.146) 10.977 9.078 ( -11.962 -4.573 -8.845) 15.564 9.078 ( 11.962 -4.573 -8.845) 15.564 9.251 ( -14.706 4.516 -1.018) 15.417 9.251 ( 14.706 4.516 -1.018) 15.417 10.002 ( -45.216 5.359 2.912) 45.625 10.002 ( 45.216 5.359 2.912) 45.625 10.555 ( -6.903 -1.620 -4.396) 8.342 10.555 ( 6.903 -1.620 -4.396) 8.342 11.105 ( -7.644 6.697 -3.222) 10.661 11.105 ( 7.644 6.697 -3.222) 10.661 11.435 ( -8.002 0.543 -6.814) 10.525 11.435 ( 8.002 0.543 -6.814) 10.525 11.717 ( -2.799 -1.378 -4.555) 5.521 11.717 ( 2.799 -1.378 -4.555) 5.521 12.426 ( -9.656 5.584 8.017) 13.736 12.426 ( 9.656 5.584 8.017) 13.736 13.615 ( -4.323 4.020 -9.413) 11.111 13.615 ( 4.323 4.020 -9.413) 11.111 14.044 ( -11.401 -3.314 3.552) 12.393 14.044 ( 11.401 -3.314 3.552) 12.393 14.517 ( -11.976 -4.003 -3.418) 13.082 14.517 ( 11.976 -4.003 -3.418) 13.082 14.664 ( -10.492 -2.384 -6.587) 12.616 14.664 ( 10.492 -2.384 -6.587) 12.616 15.038 ( -8.636 0.049 8.556) 12.157 15.038 ( 8.636 0.049 8.556) 12.157 15.433 ( -15.036 -4.119 4.514) 16.230 15.433 ( 15.036 -4.119 4.514) 16.230 15.870 ( -1.794 -3.814 3.130) 5.250 15.870 ( 1.794 -3.814 3.130) 5.250 16.524 ( -15.864 15.003 -11.567) 24.709 16.524 ( 15.864 15.003 -11.567) 24.709 17.582 ( -25.299 0.768 13.218) 28.554 17.582 ( 25.299 0.768 13.218) 28.554 18.312 ( -26.504 -2.994 -8.830) 28.096 18.312 ( 26.504 -2.994 -8.830) 28.096 18.367 ( -6.377 -12.944 6.048) 15.646 18.367 ( 6.377 -12.944 6.048) 15.646 19.079 ( -16.636 -4.726 9.970) 19.963 19.079 ( 16.636 -4.726 9.970) 19.963 19.209 ( -6.100 -2.496 7.564) 10.032 19.209 ( 6.100 -2.496 7.564) 10.032 21.389 ( -3.575 11.226 -5.242) 12.895 21.389 ( 3.575 11.226 -5.242) 12.895 22.588 ( -16.996 -4.246 -10.056) 20.200 22.588 ( 16.996 -4.246 -10.056) 20.200 ======================= Grid point 99 (37/144) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.000 43.719 16.327) 46.668 2.517 ( 0.000 51.292 17.020) 54.042 3.774 ( 0.000 58.511 44.771) 73.675 4.338 ( 0.000 -15.760 10.161) 18.751 5.405 ( 0.000 -34.682 -3.148) 34.825 5.627 ( 0.000 -13.020 0.220) 13.022 6.041 ( 0.000 -0.115 -16.121) 16.122 6.343 ( 0.000 0.364 1.900) 1.934 6.523 ( 0.000 -10.837 -11.774) 16.002 7.136 ( 0.000 2.007 -5.369) 5.732 7.231 ( 0.000 17.838 -7.532) 19.363 7.385 ( 0.000 0.042 7.124) 7.124 7.568 ( 0.000 9.889 -1.934) 10.076 8.417 ( 0.000 -1.929 24.435) 24.511 8.597 ( 0.000 -23.648 -11.803) 26.430 9.057 ( 0.000 -7.165 -10.228) 12.487 9.224 ( 0.000 -1.644 -2.472) 2.969 9.379 ( 0.000 3.271 -33.405) 33.565 9.972 ( 0.000 -7.247 -9.823) 12.206 10.099 ( 0.000 -14.011 3.734) 14.500 10.424 ( 0.000 17.925 0.283) 17.927 10.656 ( 0.000 -0.787 5.857) 5.910 10.841 ( 0.000 -10.274 -14.159) 17.493 11.412 ( 0.000 -5.571 5.266) 7.666 11.415 ( 0.000 -0.245 6.795) 6.799 11.598 ( 0.000 12.048 3.018) 12.420 11.780 ( 0.000 -15.602 7.938) 17.505 12.290 ( 0.000 -4.327 2.524) 5.009 12.617 ( 0.000 7.614 8.182) 11.177 12.747 ( 0.000 10.682 12.308) 16.297 12.994 ( 0.000 -1.892 0.997) 2.139 13.506 ( 0.000 -5.600 15.042) 16.051 13.976 ( 0.000 10.386 6.193) 12.092 14.162 ( 0.000 -9.820 -1.192) 9.892 14.198 ( 0.000 0.335 -10.032) 10.038 14.354 ( 0.000 13.307 -1.453) 13.386 14.444 ( 0.000 0.712 -3.278) 3.354 14.734 ( 0.000 11.047 -13.791) 17.670 14.749 ( 0.000 15.750 -3.296) 16.092 14.927 ( 0.000 -1.350 -5.287) 5.456 15.019 ( 0.000 18.317 -5.248) 19.054 15.378 ( 0.000 4.945 16.929) 17.636 16.041 ( 0.000 -2.274 3.873) 4.491 16.179 ( 0.000 -0.911 -18.902) 18.924 16.410 ( 0.000 -8.957 -31.203) 32.463 16.976 ( 0.000 -13.777 -4.214) 14.407 17.029 ( 0.000 -0.723 7.720) 7.754 17.036 ( 0.000 -10.083 -4.904) 11.212 18.044 ( 0.000 -3.806 -2.352) 4.474 18.289 ( 0.000 -8.249 12.843) 15.264 18.646 ( 0.000 5.790 2.113) 6.163 18.783 ( 0.000 5.400 10.356) 11.680 19.067 ( 0.000 -5.532 -14.165) 15.207 19.250 ( 0.000 -4.624 0.798) 4.692 19.727 ( 0.000 -6.698 2.003) 6.991 19.998 ( 0.000 -6.256 -18.251) 19.294 21.215 ( 0.000 20.722 14.571) 25.332 21.298 ( 0.000 7.815 5.764) 9.710 21.426 ( 0.000 3.601 2.523) 4.397 22.428 ( 0.000 -22.441 23.621) 32.581 ======================= Grid point 100 (38/144) ======================= q-point: ( 0.10 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 16.111 37.482 15.745) 43.731 2.688 ( 15.601 44.297 24.285) 52.871 4.194 ( 39.368 48.798 29.856) 69.444 4.367 ( 2.988 -16.550 9.593) 19.361 5.330 ( -5.550 -27.840 3.110) 28.557 5.688 ( 3.399 -14.245 -5.886) 15.783 6.049 ( 0.199 -1.885 -12.131) 12.278 6.293 ( -4.199 0.822 0.584) 4.318 6.518 ( -0.312 -9.453 -10.657) 14.249 7.147 ( 1.717 6.558 -6.816) 9.614 7.240 ( -0.091 12.823 -5.547) 13.972 7.366 ( -1.150 6.063 4.265) 7.502 7.610 ( 3.196 10.884 -2.354) 11.586 8.185 ( -13.911 2.074 10.430) 17.510 8.554 ( -9.617 -20.063 -4.985) 22.801 8.851 ( -23.085 9.106 -6.060) 25.545 9.214 ( 11.496 -12.475 -2.728) 17.182 9.528 ( 5.595 -6.897 -18.613) 20.624 9.851 ( -10.167 -7.131 -7.483) 14.499 10.110 ( 1.791 -16.421 2.970) 16.784 10.390 ( -3.687 14.442 -1.619) 14.993 10.616 ( -2.475 -2.478 4.755) 5.906 10.926 ( 6.497 -8.553 -14.472) 18.022 11.401 ( -7.037 1.974 -0.837) 7.357 11.474 ( 4.810 2.075 1.828) 5.549 11.603 ( 7.919 -2.484 14.185) 16.435 11.906 ( 7.937 -4.700 7.628) 11.969 12.232 ( -5.161 -2.012 4.707) 7.269 12.657 ( 3.712 5.379 3.131) 7.247 12.813 ( 3.708 10.050 10.007) 14.659 12.996 ( 2.472 0.715 -1.514) 2.986 13.557 ( 4.686 -5.647 12.744) 14.706 13.957 ( -3.188 1.989 -1.246) 3.959 14.120 ( -7.546 -1.176 -6.261) 9.875 14.156 ( 0.761 4.565 -5.367) 7.087 14.366 ( 4.797 10.014 1.483) 11.202 14.509 ( 4.470 3.893 -1.688) 6.164 14.668 ( -2.863 11.422 -1.509) 11.872 14.874 ( 5.852 8.678 -5.800) 11.966 14.939 ( 3.842 1.033 -11.791) 12.444 15.175 ( 14.105 9.719 -2.924) 17.377 15.439 ( 4.340 2.826 15.500) 16.342 15.960 ( -6.650 0.395 3.769) 7.654 16.144 ( -2.392 1.600 -10.906) 11.279 16.344 ( -7.749 -8.373 -27.183) 29.480 16.780 ( -8.314 -6.566 -5.012) 11.720 17.023 ( -2.779 -11.598 0.284) 11.929 17.169 ( 2.341 -11.289 -2.655) 11.831 17.918 ( -1.054 3.502 7.714) 8.537 18.364 ( -4.813 -1.486 -7.561) 9.085 18.611 ( -8.611 1.466 7.420) 11.460 18.741 ( 7.767 -2.964 11.588) 14.262 18.991 ( -7.090 -1.845 -0.763) 7.366 19.298 ( 3.930 -3.550 -3.560) 6.382 19.659 ( -6.884 -6.898 2.063) 9.961 19.995 ( -3.052 -8.715 -11.488) 14.739 21.249 ( 3.830 20.995 10.862) 23.947 21.381 ( 8.393 6.898 3.396) 11.383 21.456 ( 3.030 4.588 2.030) 5.860 22.571 ( 11.696 -25.003 12.645) 30.362 ======================= Grid point 101 (39/144) ======================= q-point: ( 0.20 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 31.773 21.213 15.642) 41.282 3.062 ( 22.902 32.522 25.072) 47.019 4.449 ( 5.338 -18.407 6.951) 20.387 4.951 ( 21.117 1.362 5.390) 21.837 5.323 ( 15.758 3.230 7.342) 17.682 5.701 ( -1.779 -10.110 -9.018) 13.664 6.016 ( -2.349 0.293 1.235) 2.670 6.248 ( 0.228 -1.955 -3.692) 4.184 6.528 ( 2.473 -1.540 -6.039) 6.705 7.177 ( -0.988 12.424 -10.239) 16.129 7.203 ( -3.643 8.880 -2.071) 9.819 7.346 ( -1.496 14.372 -2.235) 14.621 7.649 ( 0.421 18.715 0.673) 18.732 8.022 ( -4.780 -3.046 0.951) 5.747 8.335 ( -8.472 -12.881 -1.874) 15.531 8.508 ( -9.361 5.634 1.228) 10.995 9.262 ( -6.273 -14.785 6.419) 17.296 9.563 ( -8.695 -13.726 -8.874) 18.514 9.800 ( 13.101 -2.252 -12.114) 17.985 10.201 ( 5.640 -16.193 1.787) 17.240 10.288 ( -4.736 7.096 -0.294) 8.537 10.598 ( -0.060 -3.876 3.294) 5.087 11.035 ( 3.857 -2.325 -12.109) 12.919 11.227 ( -7.476 -2.140 -2.480) 8.162 11.564 ( 3.572 6.141 -3.648) 7.986 11.770 ( 5.066 2.544 10.151) 11.627 11.984 ( 1.143 -2.397 8.500) 8.905 12.140 ( -3.628 0.035 4.542) 5.813 12.640 ( -8.080 13.385 0.890) 15.660 12.869 ( 4.829 5.185 3.874) 8.076 13.146 ( 10.226 -0.072 -3.489) 10.805 13.663 ( 6.322 -4.844 9.747) 12.587 13.864 ( -5.703 -4.375 -8.265) 10.953 14.016 ( -2.278 4.242 -7.394) 8.824 14.141 ( -3.593 11.463 -6.206) 13.521 14.486 ( 4.968 3.837 3.540) 7.206 14.593 ( 5.900 8.165 8.501) 13.181 14.654 ( 1.779 -2.012 1.926) 3.305 14.934 ( 2.048 2.047 -12.264) 12.601 15.059 ( 2.103 -2.809 -1.579) 3.848 15.375 ( 2.245 8.502 -2.555) 9.157 15.548 ( 11.492 1.010 -3.831) 12.156 15.944 ( 5.985 6.762 15.782) 18.183 16.124 ( 0.781 2.246 -0.646) 2.464 16.136 ( -10.817 -4.349 -13.519) 17.852 16.648 ( -8.068 -7.198 -13.982) 17.675 16.909 ( -3.267 -10.485 4.104) 11.724 17.213 ( 3.895 -13.222 -5.416) 14.810 18.044 ( 4.131 4.016 5.140) 7.721 18.142 ( -6.914 5.752 -2.564) 9.352 18.442 ( -9.535 -3.561 1.936) 10.361 18.862 ( 1.202 1.295 10.676) 10.822 18.975 ( 6.276 -10.501 4.609) 13.073 19.283 ( -7.154 -0.252 -0.460) 7.174 19.483 ( -10.612 -9.330 1.600) 14.221 19.848 ( -11.523 -9.674 0.223) 15.047 21.358 ( 7.158 20.912 3.080) 22.317 21.521 ( 4.365 7.749 0.936) 8.943 21.606 ( 13.544 3.566 -1.342) 14.070 22.755 ( 5.992 -23.993 -0.947) 24.748 ======================= Grid point 102 (40/144) ======================= q-point: ( 0.30 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 28.314 12.328 21.978) 37.903 3.579 ( 32.547 14.134 10.688) 37.058 4.553 ( 4.357 -19.324 1.060) 19.838 4.953 ( -6.515 -16.083 9.596) 19.829 5.613 ( 1.874 -2.962 -7.002) 7.830 5.666 ( -1.085 -0.810 -10.009) 10.100 6.048 ( 0.587 -9.973 -0.960) 10.036 6.290 ( 2.725 -3.521 -3.623) 5.740 6.664 ( 8.700 16.468 0.076) 18.625 7.059 ( -12.076 14.366 -1.544) 18.831 7.099 ( -6.878 8.962 -6.432) 13.000 7.384 ( 11.662 18.127 3.609) 21.854 7.585 ( -8.765 24.487 2.171) 26.099 7.900 ( -3.202 -7.630 1.308) 8.377 8.368 ( 10.881 -7.960 -3.205) 13.858 8.593 ( 15.546 6.020 0.238) 16.673 9.146 ( -1.632 -7.472 10.452) 12.951 9.365 ( -10.316 -13.988 -8.303) 19.262 10.029 ( -4.826 4.035 -6.087) 8.754 10.127 ( 4.700 -0.617 -3.272) 5.760 10.452 ( 15.031 -16.611 2.211) 22.512 10.567 ( -3.198 -7.179 2.013) 8.112 11.073 ( 2.680 2.846 -6.527) 7.608 11.183 ( -0.113 -3.667 -12.294) 12.830 11.570 ( -4.054 10.427 -3.192) 11.634 11.740 ( -4.594 1.791 1.538) 5.165 11.956 ( -6.938 -2.590 1.470) 7.550 12.110 ( -1.887 2.559 3.563) 4.776 12.463 ( -6.247 22.317 -1.359) 23.215 12.887 ( -4.747 4.956 7.303) 10.021 13.328 ( 9.207 -3.363 -4.791) 10.910 13.754 ( -5.488 -2.314 -8.228) 10.157 13.801 ( 7.377 -4.355 13.269) 15.794 14.033 ( 3.761 4.366 -10.707) 12.159 14.070 ( -1.305 9.358 -6.362) 11.391 14.534 ( 1.195 -1.449 4.693) 5.055 14.689 ( 3.356 -1.764 0.509) 3.825 14.758 ( 6.823 -1.902 6.115) 9.358 14.866 ( -9.967 -9.664 5.601) 14.970 15.029 ( 0.439 1.042 -8.582) 8.657 15.394 ( -3.020 9.258 -3.576) 10.374 15.736 ( 6.073 3.921 -11.423) 13.518 15.915 ( -9.005 -4.338 -9.645) 13.890 15.973 ( -6.156 3.934 14.218) 15.985 16.323 ( 12.813 0.499 8.613) 15.447 16.598 ( 12.084 5.735 1.581) 13.469 17.034 ( 14.062 -14.298 -4.894) 20.642 17.292 ( 4.199 -3.171 -7.036) 8.786 17.830 ( -10.683 -2.471 4.242) 11.757 18.248 ( -8.589 -10.135 -0.938) 13.318 18.371 ( 14.298 8.091 7.602) 18.103 18.850 ( -6.068 -2.272 7.224) 9.704 19.035 ( -4.392 -9.459 -6.172) 12.119 19.054 ( -10.829 3.557 8.581) 14.267 19.280 ( -8.978 -10.342 5.590) 14.792 19.593 ( -14.336 -9.963 8.452) 19.397 21.500 ( 7.079 19.555 -2.837) 20.989 21.601 ( 3.852 10.911 -1.466) 11.664 21.890 ( 15.627 -0.001 -4.835) 16.357 22.786 ( -2.558 -18.812 -7.110) 20.273 ======================= Grid point 103 (41/144) ======================= q-point: ( 0.40 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 21.734 5.760 17.197) 28.307 4.222 ( 31.340 -1.118 3.744) 31.582 4.529 ( -8.394 -12.846 -0.622) 15.358 4.858 ( -3.225 -11.847 10.674) 16.269 5.636 ( 2.007 -4.776 -4.940) 7.159 5.644 ( -0.407 1.371 -6.731) 6.882 5.980 ( -4.030 -11.830 -2.825) 12.813 6.229 ( -9.682 -10.299 -3.096) 14.470 6.754 ( 3.374 10.231 2.064) 10.969 6.809 ( -11.129 17.286 -1.234) 20.595 6.920 ( -8.231 8.873 -7.525) 14.251 7.284 ( -15.555 8.976 0.321) 17.962 7.785 ( 15.478 17.427 6.481) 24.192 7.942 ( 4.124 7.459 8.865) 12.298 8.653 ( 15.600 -9.950 -4.910) 19.144 8.942 ( 16.935 5.056 -4.655) 18.276 9.181 ( -7.126 -10.348 -6.474) 14.134 9.378 ( 29.063 4.570 6.503) 30.130 9.755 ( -17.119 10.502 1.091) 20.113 10.277 ( 6.052 -10.098 -3.093) 12.172 10.481 ( -4.065 -10.071 1.345) 10.943 10.798 ( 13.030 -8.277 -5.944) 16.542 10.928 ( -17.822 4.665 -8.660) 20.356 11.264 ( 7.726 -3.832 -7.551) 11.462 11.457 ( -4.438 15.376 -0.430) 16.009 11.681 ( -1.615 0.731 -4.136) 4.499 11.765 ( -11.360 0.485 -7.687) 13.725 11.910 ( -15.294 5.841 -4.424) 16.959 12.495 ( 6.442 18.466 4.354) 20.036 12.747 ( -7.515 10.668 9.821) 16.332 13.503 ( 8.263 -8.511 -3.710) 12.430 13.675 ( -2.921 -2.443 -7.097) 8.054 13.894 ( 3.210 -0.726 8.136) 8.776 14.068 ( 0.075 4.417 -5.697) 7.209 14.183 ( 9.756 -0.731 -7.310) 12.212 14.555 ( 1.695 -0.614 4.672) 5.007 14.640 ( -10.504 -7.848 4.860) 13.983 14.791 ( -3.245 -7.113 -10.378) 12.993 14.799 ( 6.511 -6.656 1.705) 9.466 15.111 ( 8.049 1.310 4.031) 9.097 15.241 ( -10.818 4.988 0.896) 11.946 15.638 ( -17.091 -3.232 4.087) 17.868 15.801 ( 2.657 -1.201 2.234) 3.673 15.925 ( -1.421 4.011 1.849) 4.640 16.545 ( 13.462 11.365 -5.181) 18.364 17.073 ( 29.428 5.901 10.349) 31.748 17.097 ( -8.896 9.020 -12.459) 17.769 17.581 ( 24.474 -12.782 -3.040) 27.777 17.746 ( 2.036 -8.568 12.508) 15.298 18.087 ( -6.940 -12.901 -1.703) 14.748 18.477 ( -20.603 -3.269 7.915) 22.311 18.693 ( 6.263 4.952 3.326) 8.650 18.725 ( -17.061 -10.526 -3.191) 20.299 19.045 ( 3.175 0.261 7.501) 8.150 19.189 ( -3.122 -9.270 8.300) 12.828 19.314 ( -14.474 -7.209 10.044) 19.036 21.613 ( 4.471 17.437 -5.333) 18.775 21.659 ( 1.931 13.894 -3.813) 14.536 22.189 ( 15.275 -4.070 -7.341) 17.429 22.673 ( -8.797 -13.293 -8.970) 18.290 ======================= Grid point 104 (42/144) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -16.891 -2.678 7.818) 18.804 4.269 ( 16.891 -2.678 7.818) 18.804 4.700 ( -16.436 -9.219 4.038) 19.273 4.700 ( 16.436 -9.219 4.038) 19.273 5.651 ( -0.848 -1.426 -6.381) 6.593 5.651 ( 0.848 -1.426 -6.381) 6.593 6.019 ( -8.780 -10.770 1.865) 14.020 6.019 ( 8.780 -10.770 1.865) 14.020 6.715 ( -1.907 12.770 -1.069) 12.956 6.715 ( 1.907 12.770 -1.069) 12.956 7.004 ( -12.710 8.342 -2.401) 15.391 7.004 ( 12.710 8.342 -2.401) 15.391 7.953 ( -3.733 11.145 8.124) 14.288 7.953 ( 3.733 11.145 8.124) 14.288 8.910 ( -11.650 -12.574 -7.457) 18.694 8.910 ( 11.650 -12.574 -7.457) 18.694 9.385 ( -19.166 9.148 -1.035) 21.263 9.385 ( 19.166 9.148 -1.035) 21.263 10.149 ( -39.824 3.921 -1.709) 40.053 10.149 ( 39.824 3.921 -1.709) 40.053 10.418 ( -1.442 -4.452 1.455) 4.901 10.418 ( 1.442 -4.452 1.455) 4.901 11.186 ( -15.370 -5.701 -6.777) 17.739 11.186 ( 15.370 -5.701 -6.777) 17.739 11.542 ( -10.731 12.360 -7.652) 18.068 11.542 ( 10.731 12.360 -7.652) 18.068 11.704 ( -4.851 0.615 -5.905) 7.667 11.704 ( 4.851 0.615 -5.905) 7.667 12.620 ( -6.273 14.045 7.389) 17.065 12.620 ( 6.273 14.045 7.389) 17.065 13.617 ( -3.851 -6.813 -3.583) 8.607 13.617 ( 3.851 -6.813 -3.583) 8.607 13.992 ( -6.570 1.000 0.717) 6.684 13.992 ( 6.570 1.000 0.717) 6.684 14.400 ( -12.314 -5.305 -5.444) 14.472 14.400 ( 12.314 -5.305 -5.444) 14.472 14.663 ( -6.970 -1.198 -2.950) 7.663 14.663 ( 6.970 -1.198 -2.950) 7.663 15.002 ( -12.253 -6.387 5.303) 14.801 15.002 ( 12.253 -6.387 5.303) 14.801 15.334 ( -13.780 1.410 4.412) 14.538 15.334 ( 13.780 1.410 4.412) 14.538 15.870 ( -3.884 0.318 5.016) 6.352 15.870 ( 3.884 0.318 5.016) 6.352 16.833 ( -15.602 15.742 -10.335) 24.455 16.833 ( 15.602 15.742 -10.335) 24.455 17.592 ( -18.890 -0.834 8.824) 20.866 17.592 ( 18.890 -0.834 8.824) 20.866 18.044 ( -8.054 -15.211 4.224) 17.723 18.044 ( 8.054 -15.211 4.224) 17.723 18.235 ( -19.869 -6.654 -2.401) 21.091 18.235 ( 19.869 -6.654 -2.401) 21.091 18.986 ( -14.327 -3.280 9.223) 17.352 18.986 ( 14.327 -3.280 9.223) 17.352 19.142 ( -3.382 -4.214 6.759) 8.653 19.142 ( 3.382 -4.214 6.759) 8.653 21.667 ( -1.152 15.771 -5.348) 16.693 21.667 ( 1.152 15.771 -5.348) 16.693 22.462 ( -12.940 -8.427 -8.774) 17.761 22.462 ( 12.940 -8.427 -8.774) 17.761 ======================= Grid point 110 (43/144) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 0.000 41.252 7.959) 42.013 3.495 ( 0.000 40.280 7.160) 40.912 3.869 ( 0.000 -23.880 10.757) 26.191 4.413 ( 0.000 -25.588 14.934) 29.627 4.971 ( 0.000 19.678 13.772) 24.019 5.378 ( 0.000 -14.234 6.033) 15.460 6.129 ( 0.000 6.731 -12.641) 14.321 6.256 ( 0.000 -6.508 -8.400) 10.626 6.557 ( 0.000 13.533 -2.269) 13.722 6.942 ( 0.000 -19.622 0.837) 19.640 7.404 ( 0.000 2.678 10.649) 10.981 7.496 ( 0.000 -1.979 8.898) 9.115 7.693 ( 0.000 17.070 -8.147) 18.914 8.124 ( 0.000 -23.373 -11.296) 25.960 8.539 ( 0.000 12.375 11.314) 16.767 8.826 ( 0.000 -15.037 4.165) 15.603 9.274 ( 0.000 6.768 -15.478) 16.893 9.403 ( 0.000 -3.393 -30.154) 30.345 9.878 ( 0.000 -1.274 -8.099) 8.198 9.915 ( 0.000 -4.822 -8.490) 9.764 10.624 ( 0.000 0.345 -1.126) 1.178 10.676 ( 0.000 -5.584 -10.584) 11.967 10.834 ( 0.000 20.652 -1.243) 20.689 11.218 ( 0.000 -15.792 2.344) 15.965 11.425 ( 0.000 1.995 14.452) 14.589 11.515 ( 0.000 -8.498 13.695) 16.117 11.882 ( 0.000 14.696 -0.533) 14.706 12.141 ( 0.000 -10.775 0.730) 10.799 12.765 ( 0.000 7.177 5.468) 9.022 12.902 ( 0.000 -6.379 2.078) 6.709 13.014 ( 0.000 15.578 15.124) 21.711 13.318 ( 0.000 -13.623 18.631) 23.080 14.041 ( 0.000 -1.954 -3.487) 3.997 14.044 ( 0.000 -0.840 -0.246) 0.876 14.312 ( 0.000 8.093 -2.525) 8.478 14.426 ( 0.000 -3.056 -1.595) 3.447 14.607 ( 0.000 11.518 -7.570) 13.782 14.795 ( 0.000 -7.077 -12.706) 14.544 14.944 ( 0.000 8.826 -9.469) 12.944 15.013 ( 0.000 3.595 -1.848) 4.042 15.325 ( 0.000 11.479 4.072) 12.180 15.437 ( 0.000 -0.235 11.739) 11.741 16.106 ( 0.000 10.312 6.846) 12.378 16.172 ( 0.000 2.308 -23.771) 23.883 16.237 ( 0.000 -7.305 -24.898) 25.948 16.510 ( 0.000 -24.636 2.347) 24.747 17.005 ( 0.000 0.362 -4.228) 4.244 17.019 ( 0.000 -0.618 3.856) 3.906 18.024 ( 0.000 2.137 -0.519) 2.199 18.126 ( 0.000 -7.510 6.417) 9.879 18.789 ( 0.000 8.025 -3.480) 8.747 18.924 ( 0.000 8.528 11.687) 14.468 18.942 ( 0.000 -7.091 -10.120) 12.357 19.106 ( 0.000 -9.154 10.020) 13.572 19.708 ( 0.000 4.085 -8.645) 9.561 19.843 ( 0.000 -8.350 -14.921) 17.099 21.420 ( 0.000 4.522 4.136) 6.128 21.465 ( 0.000 0.016 3.033) 3.033 21.627 ( 0.000 20.304 14.370) 24.874 22.022 ( 0.000 -19.664 17.002) 25.995 ======================= Grid point 111 (44/144) ======================= q-point: ( 0.10 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 6.514 38.966 6.962) 40.115 3.567 ( 6.949 36.952 13.678) 40.010 3.887 ( 2.435 -23.878 10.303) 26.119 4.455 ( 2.802 -34.267 15.044) 37.529 5.175 ( 19.613 21.554 8.323) 30.307 5.471 ( 7.661 -9.650 -1.005) 12.362 6.093 ( -3.718 5.181 -11.712) 13.335 6.223 ( -3.340 -6.893 -7.878) 10.988 6.599 ( 5.826 17.705 0.121) 18.639 7.020 ( 8.408 -18.029 0.891) 19.913 7.393 ( -0.089 6.491 7.538) 9.948 7.553 ( 5.198 -5.373 8.051) 10.986 7.686 ( -1.242 16.245 -6.563) 17.564 8.084 ( -4.395 -20.258 -8.118) 22.262 8.455 ( -7.685 15.034 4.634) 17.508 8.774 ( -7.253 -15.008 0.325) 16.672 9.198 ( -5.961 8.774 -9.187) 14.033 9.380 ( -2.464 -8.376 -16.454) 18.627 9.779 ( -7.333 0.373 -6.643) 9.902 9.865 ( -2.876 -8.083 -6.594) 10.821 10.568 ( -4.100 0.917 -4.899) 6.453 10.582 ( -6.734 -0.222 -7.741) 10.262 10.930 ( 6.559 11.214 -5.225) 14.003 11.221 ( -2.348 -14.604 0.117) 14.792 11.570 ( 12.446 1.631 10.938) 16.649 11.581 ( 8.198 0.411 14.585) 16.736 11.941 ( 3.912 8.217 3.436) 9.728 12.129 ( -1.764 -8.437 2.588) 8.999 12.785 ( 2.293 7.057 1.455) 7.562 12.921 ( 3.897 -5.968 -1.163) 7.222 13.067 ( 3.237 14.474 11.595) 18.826 13.365 ( 4.081 -13.827 15.019) 20.819 13.972 ( -4.534 2.474 -5.209) 7.336 14.043 ( -1.308 -3.893 -3.375) 5.316 14.337 ( 2.667 8.251 -2.340) 8.981 14.443 ( 2.677 -2.106 -3.390) 4.806 14.669 ( 4.336 10.920 -0.251) 11.752 14.854 ( 3.288 -6.970 -4.540) 8.945 14.878 ( -6.521 9.272 -7.797) 13.758 14.995 ( -1.259 -0.762 -7.513) 7.656 15.378 ( 6.262 8.481 1.533) 10.653 15.466 ( 3.123 -0.534 8.904) 9.451 16.090 ( -1.060 10.353 9.304) 13.960 16.171 ( 0.687 4.106 -16.758) 17.267 16.194 ( -4.292 -4.795 -21.062) 22.024 16.513 ( -0.920 -20.564 0.179) 20.585 16.875 ( -6.713 0.606 -0.414) 6.753 16.979 ( -7.662 -8.216 -1.536) 11.339 18.052 ( 5.873 9.367 2.911) 11.433 18.251 ( 6.278 -9.393 -1.383) 11.382 18.656 ( -12.277 3.532 -0.345) 12.779 18.719 ( -9.174 -1.687 2.341) 9.617 19.010 ( -0.061 4.839 5.884) 7.619 19.161 ( 3.336 -8.969 6.198) 11.401 19.654 ( -5.923 5.267 -6.413) 10.196 19.810 ( -4.508 -9.405 -10.050) 14.484 21.477 ( 5.651 3.730 2.342) 7.164 21.503 ( 4.238 1.129 1.830) 4.752 21.694 ( 6.359 21.061 10.744) 24.483 22.117 ( 8.652 -21.642 11.373) 25.935 ======================= Grid point 112 (45/144) ======================= q-point: ( 0.20 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 16.075 29.360 7.317) 34.263 3.739 ( 10.686 27.210 17.334) 33.985 3.979 ( 7.264 -19.494 9.887) 23.033 4.503 ( 2.471 -33.192 18.500) 38.080 5.539 ( 11.281 5.249 -4.187) 13.128 5.588 ( 5.358 -1.520 -9.034) 10.613 5.999 ( -5.571 3.437 -8.980) 11.112 6.155 ( -2.893 -8.859 -7.833) 12.174 6.831 ( 17.383 25.456 3.326) 31.004 7.223 ( 9.396 -10.090 -5.160) 14.722 7.401 ( -0.431 12.783 3.241) 13.195 7.630 ( -3.669 4.216 -3.221) 6.451 7.691 ( 8.388 1.959 3.988) 9.492 7.981 ( -3.036 -13.998 -1.804) 14.436 8.323 ( -4.674 15.916 0.363) 16.592 8.553 ( -11.073 -4.428 -2.028) 12.097 9.097 ( -4.746 0.123 3.906) 6.148 9.264 ( -9.626 -14.350 -3.079) 17.552 9.760 ( 7.325 0.499 -4.653) 8.692 9.882 ( 5.012 -11.824 -2.212) 13.032 10.431 ( -7.798 5.019 -5.136) 10.600 10.513 ( -3.596 -4.083 -5.170) 7.505 11.043 ( 5.044 3.583 -11.620) 13.165 11.146 ( -3.483 -5.646 -5.351) 8.523 11.742 ( 7.468 8.410 8.060) 13.837 11.822 ( 10.194 0.959 9.533) 13.990 11.952 ( -3.314 2.044 7.004) 8.014 12.080 ( -2.314 -6.518 2.126) 7.236 12.840 ( 2.109 9.271 -4.115) 10.360 13.008 ( 2.894 -3.526 -6.361) 7.828 13.141 ( 5.804 10.409 8.160) 14.444 13.441 ( 3.412 -15.676 9.006) 18.398 13.911 ( -0.679 7.577 -6.430) 9.961 14.043 ( 1.799 -3.466 -7.109) 8.111 14.361 ( -2.377 10.214 -4.917) 11.583 14.503 ( 2.188 -3.386 -2.991) 5.020 14.675 ( -7.037 5.128 3.780) 9.492 14.737 ( -1.784 4.382 9.141) 10.293 14.879 ( -5.922 -4.337 -3.666) 8.205 14.957 ( 1.082 -6.251 -5.226) 8.219 15.539 ( 7.576 6.295 -5.730) 11.396 15.607 ( 11.176 0.990 -4.369) 12.041 16.097 ( -4.433 5.571 -11.489) 13.516 16.099 ( 3.372 5.737 13.179) 14.764 16.216 ( 1.990 4.827 2.901) 5.973 16.432 ( -4.889 -14.032 -8.441) 17.089 16.769 ( -4.325 -1.038 2.004) 4.878 16.914 ( 5.292 -14.097 -1.400) 15.122 18.140 ( -6.116 5.417 -3.133) 8.750 18.222 ( -4.283 -1.039 -5.208) 6.823 18.459 ( -4.061 7.646 5.149) 10.073 18.687 ( 5.066 -13.243 6.118) 15.443 18.992 ( -1.725 7.130 6.736) 9.959 19.166 ( -3.281 -9.666 4.635) 11.211 19.476 ( -12.390 6.654 -0.569) 14.075 19.650 ( -11.849 -9.947 -0.603) 15.483 21.603 ( 7.083 4.495 -1.196) 8.474 21.641 ( 9.768 0.405 -1.175) 9.847 21.838 ( 7.811 22.039 3.833) 23.694 22.288 ( 7.860 -23.127 1.939) 24.503 ======================= Grid point 113 (46/144) ======================= q-point: ( 0.30 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 20.610 16.354 9.545) 27.988 3.965 ( 12.825 12.663 10.860) 21.042 4.159 ( 10.934 -9.133 10.394) 17.635 4.553 ( 2.414 -24.464 18.200) 30.587 5.557 ( -1.883 2.008 -5.717) 6.345 5.686 ( 0.681 -7.105 -8.766) 11.304 5.900 ( -4.586 5.460 -5.853) 9.226 6.112 ( -2.679 -11.943 -5.942) 13.606 7.036 ( -0.467 16.443 -6.034) 17.521 7.233 ( -8.556 -0.449 -11.734) 14.529 7.333 ( -6.847 12.760 -1.073) 14.520 7.536 ( -6.838 -5.080 -1.719) 8.690 7.903 ( 12.362 10.650 8.274) 18.295 8.105 ( 15.671 7.896 0.912) 17.571 8.226 ( -2.433 10.529 0.920) 10.845 8.628 ( 16.608 -8.592 0.836) 18.718 9.064 ( 3.632 -2.173 4.599) 6.250 9.095 ( -4.441 -8.101 2.343) 9.531 9.964 ( 9.827 -3.183 -3.390) 10.871 10.053 ( 11.403 -11.464 -0.685) 16.184 10.287 ( -4.925 4.363 3.344) 7.381 10.414 ( -6.024 -7.469 -0.358) 9.602 11.110 ( 2.404 1.099 -15.186) 15.415 11.132 ( 0.589 -1.523 -15.662) 15.747 11.795 ( -5.621 3.726 2.175) 7.086 11.839 ( -2.673 11.402 1.521) 11.809 11.890 ( -3.925 -1.095 1.567) 4.366 12.075 ( -0.416 -6.699 2.018) 7.008 12.848 ( 0.128 16.110 -5.388) 16.988 13.043 ( 0.866 3.198 -3.363) 4.721 13.235 ( 2.577 1.007 5.389) 6.058 13.490 ( 1.269 -16.690 7.147) 18.200 13.950 ( 3.769 10.456 -2.848) 11.473 14.100 ( 3.569 -1.751 -10.563) 11.286 14.244 ( -6.516 10.805 -4.752) 13.483 14.499 ( -2.601 -8.678 2.950) 9.528 14.594 ( -3.424 -2.977 0.553) 4.571 14.623 ( -4.692 -5.092 2.294) 7.294 14.813 ( -2.164 5.150 4.287) 7.042 14.977 ( 0.234 -7.664 0.951) 7.726 15.585 ( -2.900 8.231 -5.933) 10.553 15.711 ( -0.540 -4.982 -5.950) 7.779 16.010 ( -10.926 9.624 -4.048) 15.112 16.058 ( -8.676 3.168 8.762) 12.731 16.351 ( 20.899 5.147 3.685) 21.836 16.608 ( 21.882 -14.422 -6.524) 27.007 16.853 ( 13.320 7.374 7.094) 16.797 17.103 ( 13.189 -13.729 3.544) 19.364 17.890 ( -14.826 7.047 -4.247) 16.956 18.056 ( -11.795 -9.172 -3.346) 15.312 18.557 ( 8.610 10.292 5.806) 14.620 18.756 ( -2.322 -8.809 3.394) 9.721 18.928 ( -5.747 1.216 0.185) 5.877 19.032 ( -9.255 -7.437 5.803) 13.215 19.223 ( -11.651 6.612 6.525) 14.901 19.396 ( -13.186 -9.753 8.096) 18.291 21.746 ( 7.623 7.457 -3.750) 11.304 21.848 ( 11.244 -1.846 -4.582) 12.281 21.966 ( 5.179 20.101 -1.651) 20.823 22.387 ( 2.148 -21.047 -4.223) 21.574 ======================= Grid point 114 (47/144) ======================= q-point: ( 0.40 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.062 ( 16.440 9.571 12.790) 22.923 4.225 ( 13.436 -2.921 2.758) 14.024 4.350 ( 7.278 0.316 7.078) 10.157 4.565 ( -1.784 -15.552 15.028) 21.700 5.561 ( 3.240 0.409 -4.562) 5.611 5.673 ( 0.312 -8.451 -3.459) 9.137 5.812 ( -5.187 5.642 -3.410) 8.389 6.004 ( -9.265 -11.363 -2.480) 14.870 6.963 ( -2.804 9.471 -2.805) 10.268 7.053 ( -6.061 2.081 -9.910) 11.802 7.144 ( -11.134 14.291 -1.823) 18.208 7.336 ( -13.031 -4.292 -1.861) 13.845 8.085 ( 8.574 13.077 5.253) 16.496 8.273 ( 3.332 19.940 2.104) 20.326 8.399 ( 10.746 -10.629 2.863) 15.384 8.762 ( -5.249 -20.377 -3.021) 21.258 9.232 ( 19.383 11.807 -2.375) 22.820 9.427 ( 30.222 -4.042 0.979) 30.507 9.949 ( -13.551 9.213 -3.274) 16.710 10.124 ( 0.135 -5.960 -3.848) 7.096 10.323 ( 4.355 0.193 6.979) 8.229 10.544 ( 21.586 -15.839 3.377) 26.986 11.028 ( -13.104 5.661 -12.798) 19.172 11.148 ( -1.738 -6.356 -13.909) 15.391 11.673 ( -3.088 4.087 -6.538) 8.305 11.739 ( -5.208 -2.233 -5.541) 7.925 11.822 ( -4.375 11.271 -1.992) 12.253 11.954 ( -11.428 -1.534 -1.595) 11.640 12.889 ( 3.882 18.089 -0.670) 18.513 13.029 ( -2.137 15.044 3.480) 15.588 13.265 ( 2.231 -10.995 0.744) 11.244 13.466 ( -3.915 -17.000 4.487) 18.013 14.024 ( 4.017 11.029 0.144) 11.739 14.137 ( -0.438 -0.056 -7.973) 7.986 14.202 ( 1.828 3.715 -5.358) 6.771 14.415 ( -6.185 -14.165 2.023) 15.588 14.559 ( 2.731 1.885 2.797) 4.340 14.644 ( 4.821 -6.582 -3.789) 8.996 14.748 ( -4.371 4.723 1.698) 6.655 14.943 ( -4.697 -12.215 3.275) 13.491 15.504 ( -2.737 13.870 0.175) 14.138 15.700 ( -2.981 0.380 4.755) 5.625 15.750 ( -8.692 2.588 2.140) 9.318 15.917 ( -7.440 -5.637 5.582) 10.876 16.789 ( 21.672 13.663 -7.912) 26.813 17.076 ( 22.046 -13.001 -9.759) 27.391 17.210 ( 20.077 8.814 11.247) 24.643 17.398 ( 15.168 -7.559 5.421) 17.793 17.648 ( -5.443 4.145 2.514) 7.288 17.844 ( -8.192 -11.914 -3.732) 14.933 18.456 ( -23.969 1.622 4.671) 24.474 18.545 ( -20.376 -7.102 0.749) 21.591 18.824 ( 5.352 7.854 4.355) 10.455 18.993 ( 2.332 -8.864 6.320) 11.133 19.084 ( -4.173 2.850 8.222) 9.651 19.179 ( -9.552 -6.197 9.597) 14.891 21.883 ( 6.404 11.211 -5.431) 14.006 22.005 ( 1.677 17.088 -5.740) 18.104 22.078 ( 9.638 -5.812 -5.699) 12.615 22.371 ( -3.668 -16.940 -6.886) 18.650 ======================= Grid point 115 (48/144) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.302 ( -7.555 5.882 8.751) 12.971 4.302 ( 7.555 5.882 8.751) 12.971 4.481 ( -7.345 -11.303 6.651) 15.031 4.481 ( 7.345 -11.303 6.651) 15.031 5.665 ( -6.422 3.360 -4.564) 8.565 5.665 ( 6.422 3.360 -4.564) 8.565 5.798 ( -9.509 -9.846 0.745) 13.709 5.798 ( 9.509 -9.846 0.745) 13.709 6.971 ( -4.708 11.639 -2.383) 12.779 6.971 ( 4.708 11.639 -2.383) 12.779 7.105 ( -9.251 -0.569 -2.996) 9.741 7.105 ( 9.251 -0.569 -2.996) 9.741 8.236 ( -6.247 17.146 4.384) 18.768 8.236 ( 6.247 17.146 4.384) 18.768 8.597 ( -10.318 -18.096 -1.637) 20.895 8.597 ( 10.318 -18.096 -1.637) 20.895 9.620 ( -19.007 14.541 -3.677) 24.212 9.620 ( 19.007 14.541 -3.677) 24.212 9.943 ( -17.980 -16.924 -3.963) 25.008 9.943 ( 17.980 -16.924 -3.963) 25.008 10.625 ( -23.159 17.393 0.136) 28.963 10.625 ( 23.159 17.393 0.136) 28.963 10.959 ( -17.411 -15.122 -5.020) 23.601 10.959 ( 17.411 -15.122 -5.020) 23.601 11.726 ( -4.556 3.921 -8.225) 10.188 11.726 ( 4.556 3.921 -8.225) 10.188 11.739 ( -7.838 2.153 -4.516) 9.299 11.739 ( 7.838 2.153 -4.516) 9.299 12.968 ( -4.006 20.042 3.691) 20.768 12.968 ( 4.006 20.042 3.691) 20.768 13.356 ( -6.619 -17.680 -0.117) 18.879 13.356 ( 6.619 -17.680 -0.117) 18.879 14.100 ( -3.297 8.569 -0.803) 9.217 14.100 ( 3.297 8.569 -0.803) 9.217 14.281 ( -6.423 -8.093 -4.804) 11.394 14.281 ( 6.423 -8.093 -4.804) 11.394 14.653 ( -5.462 2.708 1.207) 6.215 14.653 ( 5.462 2.708 1.207) 6.215 14.795 ( -9.562 -10.749 0.413) 14.392 14.795 ( 9.562 -10.749 0.413) 14.392 15.537 ( -6.251 14.564 4.730) 16.540 15.537 ( 6.251 14.564 4.730) 16.540 15.789 ( -5.405 -9.086 6.112) 12.212 15.789 ( 5.405 -9.086 6.112) 12.212 17.145 ( -14.519 15.741 -7.904) 22.827 17.145 ( 14.519 15.741 -7.904) 22.827 17.449 ( -9.799 -13.810 -1.820) 17.030 17.449 ( 9.799 -13.810 -1.820) 17.030 17.916 ( -21.450 3.275 8.046) 23.143 17.916 ( 21.450 3.275 8.046) 23.143 18.065 ( -21.053 -9.514 3.959) 23.440 18.065 ( 21.053 -9.514 3.959) 23.440 18.976 ( -7.960 2.157 7.208) 10.953 18.976 ( 7.960 2.157 7.208) 10.953 19.050 ( -3.256 -4.712 6.497) 8.661 19.050 ( 3.256 -4.712 6.497) 8.661 21.980 ( -3.514 15.246 -6.055) 16.777 21.980 ( 3.514 15.246 -6.055) 16.777 22.256 ( -8.055 -12.313 -7.286) 16.419 22.256 ( 8.055 -12.313 -7.286) 16.419 ======================= Grid point 154 (49/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 0.000 48.193) 48.193 2.102 ( 0.000 0.000 48.344) 48.344 3.768 ( 0.000 0.000 86.273) 86.273 4.792 ( 0.000 0.000 16.315) 16.315 5.765 ( 0.000 0.000 -24.756) 24.756 5.784 ( 0.000 0.000 -7.495) 7.495 6.070 ( 0.000 0.000 -24.015) 24.015 6.347 ( 0.000 0.000 2.541) 2.541 6.505 ( 0.000 0.000 -10.113) 10.113 6.649 ( 0.000 0.000 9.759) 9.759 6.728 ( 0.000 0.000 -11.617) 11.617 7.017 ( 0.000 0.000 2.679) 2.679 7.642 ( 0.000 0.000 14.593) 14.593 8.668 ( 0.000 0.000 9.142) 9.142 8.700 ( 0.000 0.000 -23.218) 23.218 9.056 ( 0.000 0.000 -4.981) 4.981 9.091 ( 0.000 0.000 -34.702) 34.702 9.121 ( 0.000 0.000 -12.890) 12.890 9.923 ( 0.000 0.000 -3.810) 3.810 10.126 ( 0.000 0.000 -18.909) 18.909 10.764 ( 0.000 0.000 13.963) 13.963 11.098 ( 0.000 0.000 -5.560) 5.560 11.146 ( 0.000 0.000 -22.406) 22.406 11.172 ( 0.000 0.000 26.067) 26.067 11.188 ( 0.000 0.000 -0.955) 0.955 12.001 ( 0.000 0.000 15.515) 15.515 12.256 ( 0.000 0.000 1.286) 1.286 12.481 ( 0.000 0.000 0.052) 0.052 12.699 ( 0.000 0.000 11.849) 11.849 12.728 ( 0.000 0.000 15.491) 15.491 12.729 ( 0.000 0.000 12.925) 12.925 13.590 ( 0.000 0.000 -6.806) 6.806 13.739 ( 0.000 0.000 1.098) 1.098 13.934 ( 0.000 0.000 1.057) 1.057 14.100 ( 0.000 0.000 -14.075) 14.075 14.120 ( 0.000 0.000 -7.417) 7.417 14.138 ( 0.000 0.000 8.791) 8.791 14.203 ( 0.000 0.000 -2.564) 2.564 14.550 ( 0.000 0.000 4.435) 4.435 14.749 ( 0.000 0.000 -1.376) 1.376 14.772 ( 0.000 0.000 -0.325) 0.325 15.666 ( 0.000 0.000 21.922) 21.922 15.919 ( 0.000 0.000 -31.379) 31.379 15.969 ( 0.000 0.000 -8.050) 8.050 16.192 ( 0.000 0.000 6.318) 6.318 16.662 ( 0.000 0.000 -20.577) 20.577 16.986 ( 0.000 0.000 -7.214) 7.214 17.284 ( 0.000 0.000 -14.915) 14.915 18.292 ( 0.000 0.000 -12.537) 12.537 18.659 ( 0.000 0.000 13.909) 13.909 18.752 ( 0.000 0.000 1.021) 1.021 18.787 ( 0.000 0.000 -16.391) 16.391 18.931 ( 0.000 0.000 14.926) 14.926 19.212 ( 0.000 0.000 -4.848) 4.848 19.923 ( 0.000 0.000 -1.521) 1.521 20.134 ( 0.000 0.000 -1.067) 1.067 21.023 ( 0.000 0.000 20.531) 20.531 21.339 ( 0.000 0.000 16.327) 16.327 21.373 ( 0.000 0.000 4.601) 4.601 23.457 ( 0.000 0.000 -9.023) 9.023 ======================= Grid point 155 (50/144) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 30.715 0.000 40.543) 50.864 2.360 ( 25.098 0.000 41.036) 48.103 4.091 ( 33.098 0.000 74.740) 81.740 4.830 ( 3.736 0.000 14.403) 14.879 5.772 ( -1.928 0.000 -8.154) 8.379 5.804 ( 3.424 0.000 -22.232) 22.494 6.033 ( -4.210 0.000 -21.605) 22.011 6.203 ( -10.507 0.000 -1.331) 10.591 6.605 ( -1.313 0.000 0.993) 1.646 6.637 ( -0.559 0.000 9.173) 9.190 6.686 ( 3.675 0.000 -14.613) 15.068 6.968 ( -3.583 0.000 -0.465) 3.613 7.637 ( -0.838 0.000 15.481) 15.504 8.369 ( -12.592 0.000 -2.161) 12.776 8.507 ( -26.042 0.000 -4.157) 26.371 8.980 ( -12.167 0.000 -10.673) 16.185 9.053 ( 18.927 0.000 -11.844) 22.328 9.403 ( 5.935 0.000 -26.412) 27.070 9.933 ( 0.492 0.000 -3.126) 3.165 10.085 ( -3.506 0.000 -16.268) 16.641 10.705 ( -2.922 0.000 6.935) 7.525 10.963 ( -10.160 0.000 -0.552) 10.175 11.090 ( 0.819 0.000 -2.988) 3.098 11.281 ( 2.575 0.000 3.059) 3.999 11.428 ( 10.960 0.000 0.610) 10.977 11.998 ( -0.213 0.000 11.140) 11.142 12.191 ( -7.522 0.000 -0.634) 7.548 12.281 ( -13.085 0.000 6.137) 14.453 12.524 ( -11.818 0.000 13.275) 17.773 12.803 ( 9.186 0.000 9.524) 13.232 12.910 ( 10.011 0.000 4.005) 10.782 13.687 ( 6.957 0.000 -8.790) 11.210 13.707 ( -1.832 0.000 1.027) 2.100 13.846 ( -13.778 0.000 -15.701) 20.889 13.907 ( 1.866 0.000 8.707) 8.905 14.251 ( 9.538 0.000 -0.328) 9.543 14.267 ( 10.419 0.000 -10.191) 14.574 14.346 ( 6.661 0.000 12.260) 13.953 14.713 ( 6.620 0.000 4.941) 8.261 14.846 ( 13.114 0.000 -6.278) 14.539 14.864 ( 9.150 0.000 -5.079) 10.465 15.771 ( 10.154 0.000 21.931) 24.167 15.849 ( -6.042 0.000 -23.665) 24.424 15.970 ( 1.213 0.000 -5.807) 5.932 16.201 ( 0.345 0.000 6.657) 6.666 16.542 ( -10.312 0.000 -18.605) 21.271 17.020 ( 2.649 0.000 -11.416) 11.720 17.208 ( -8.001 0.000 -18.075) 19.766 18.242 ( -3.760 0.000 -7.302) 8.213 18.407 ( -12.807 0.000 21.357) 24.903 18.635 ( -4.015 0.000 -2.165) 4.562 18.990 ( 11.410 0.000 -11.562) 16.244 19.056 ( -0.665 0.000 1.515) 1.654 19.304 ( 12.047 0.000 8.250) 14.601 19.985 ( -1.868 0.000 -4.357) 4.740 20.098 ( 1.863 0.000 0.321) 1.891 20.995 ( -2.624 0.000 17.997) 18.187 21.358 ( 2.398 0.000 11.853) 12.093 21.363 ( -1.124 0.000 3.603) 3.774 23.372 ( -8.235 0.000 -10.488) 13.334 ======================= Grid point 156 (51/144) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 35.734 0.000 26.922) 44.740 2.983 ( 33.712 0.000 33.632) 47.619 4.903 ( 2.400 0.000 7.028) 7.427 4.926 ( 47.844 0.000 41.153) 63.108 5.707 ( -3.618 0.000 -5.218) 6.349 5.852 ( 0.460 0.000 -1.288) 1.367 5.893 ( -10.173 0.000 -14.317) 17.563 6.032 ( -5.223 0.000 -8.766) 10.204 6.443 ( -8.659 0.000 -2.098) 8.910 6.642 ( 0.453 0.000 7.011) 7.026 6.894 ( 12.311 0.000 -9.082) 15.298 6.927 ( 0.875 0.000 -1.988) 2.172 7.592 ( -4.373 0.000 17.166) 17.714 8.180 ( -9.083 0.000 -2.934) 9.545 8.250 ( 0.793 0.000 -0.665) 1.035 8.661 ( -19.486 0.000 -8.314) 21.185 9.398 ( 17.155 0.000 -14.178) 22.255 9.406 ( -3.741 0.000 -22.366) 22.677 9.906 ( -4.378 0.000 -1.198) 4.539 10.002 ( -5.721 0.000 -6.969) 9.016 10.643 ( -3.872 0.000 0.651) 3.926 10.801 ( -6.190 0.000 0.394) 6.203 11.102 ( 0.290 0.000 1.762) 1.785 11.255 ( -4.358 0.000 -1.598) 4.642 11.509 ( 0.689 0.000 0.877) 1.115 11.875 ( -15.353 0.000 -6.265) 16.582 12.038 ( -13.136 0.000 6.751) 14.770 12.063 ( -1.260 0.000 7.400) 7.506 12.338 ( -8.383 0.000 11.083) 13.896 13.015 ( 2.340 0.000 -10.004) 10.274 13.092 ( 16.826 0.000 1.945) 16.938 13.684 ( -2.405 0.000 -6.180) 6.632 13.711 ( 0.974 0.000 -1.495) 1.784 13.794 ( 3.166 0.000 -3.281) 4.559 13.981 ( 4.316 0.000 9.628) 10.551 14.347 ( 3.483 0.000 1.054) 3.639 14.447 ( 7.459 0.000 -13.886) 15.762 14.599 ( 17.252 0.000 14.762) 22.705 14.770 ( 3.524 0.000 -2.387) 4.256 14.984 ( 2.394 0.000 -8.309) 8.647 15.118 ( 8.232 0.000 -3.897) 9.108 15.758 ( -1.878 0.000 -14.030) 14.156 15.910 ( 2.217 0.000 8.476) 8.761 16.161 ( 20.106 0.000 11.848) 23.337 16.195 ( -0.170 0.000 11.768) 11.770 16.357 ( -7.520 0.000 -18.353) 19.834 16.990 ( -13.776 0.000 -21.181) 25.267 17.095 ( 6.485 0.000 -8.885) 11.000 18.197 ( -0.505 0.000 1.406) 1.494 18.295 ( 1.013 0.000 20.742) 20.766 18.585 ( -1.906 0.000 -0.390) 1.946 19.026 ( -0.305 0.000 3.657) 3.670 19.153 ( 4.401 0.000 -6.354) 7.730 19.430 ( -3.179 0.000 2.322) 3.937 19.871 ( -4.056 0.000 6.823) 7.938 20.148 ( -1.380 0.000 2.531) 2.883 20.944 ( -1.998 0.000 10.227) 10.421 21.330 ( -2.243 0.000 0.664) 2.339 21.459 ( 8.716 0.000 0.328) 8.722 23.172 ( -12.043 0.000 -14.397) 18.770 ======================= Grid point 157 (52/144) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 33.427 0.000 26.783) 42.833 3.641 ( 32.664 0.000 11.486) 34.625 4.859 ( -7.671 0.000 -5.569) 9.479 5.521 ( 7.947 0.000 -12.219) 14.576 5.672 ( -4.638 0.000 -5.001) 6.821 5.737 ( 1.780 0.000 3.079) 3.556 5.770 ( -8.681 0.000 0.879) 8.725 6.129 ( 10.327 0.000 19.795) 22.327 6.351 ( 0.822 0.000 -5.509) 5.570 6.623 ( -2.558 0.000 8.272) 8.658 7.097 ( 6.782 0.000 -8.218) 10.655 7.150 ( 28.031 0.000 6.006) 28.667 7.446 ( -11.547 0.000 19.850) 22.965 8.057 ( -7.095 0.000 -1.372) 7.227 8.380 ( -4.025 0.000 -8.057) 9.006 8.393 ( 13.210 0.000 -2.857) 13.515 9.304 ( -6.314 0.000 -18.636) 19.677 9.706 ( 10.058 0.000 -14.919) 17.992 9.753 ( -6.191 0.000 0.579) 6.218 9.843 ( -10.418 0.000 9.180) 13.886 10.605 ( 0.983 0.000 -12.286) 12.326 10.710 ( -4.711 0.000 -0.194) 4.715 11.075 ( -5.194 0.000 -0.252) 5.201 11.177 ( -2.249 0.000 -5.678) 6.107 11.407 ( -14.836 0.000 -0.766) 14.856 11.653 ( -2.206 0.000 -9.154) 9.416 11.758 ( -15.603 0.000 -1.430) 15.669 12.093 ( 3.125 0.000 7.276) 7.918 12.163 ( -9.186 0.000 10.872) 14.233 13.085 ( 5.899 0.000 -13.104) 14.370 13.233 ( -7.789 0.000 7.062) 10.514 13.694 ( -0.777 0.000 -1.884) 2.038 13.715 ( 2.111 0.000 2.371) 3.174 13.808 ( 4.455 0.000 -5.146) 6.807 14.119 ( 9.944 0.000 0.554) 9.959 14.431 ( 3.060 0.000 0.131) 3.063 14.550 ( 3.295 0.000 -17.918) 18.219 14.864 ( 6.732 0.000 9.085) 11.307 14.881 ( 7.158 0.000 -2.948) 7.741 15.061 ( 11.497 0.000 -3.731) 12.087 15.132 ( -3.560 0.000 0.429) 3.586 15.740 ( -1.965 0.000 -5.154) 5.516 15.923 ( -0.724 0.000 8.445) 8.476 16.188 ( -3.428 0.000 -17.136) 17.476 16.296 ( 2.501 0.000 19.542) 19.701 16.510 ( 1.793 0.000 -8.954) 9.132 16.826 ( 10.325 0.000 2.732) 10.680 17.314 ( 16.830 0.000 -4.122) 17.327 18.205 ( 0.206 0.000 5.665) 5.669 18.411 ( 9.490 0.000 13.883) 16.817 18.554 ( -1.127 0.000 2.091) 2.375 19.057 ( 2.059 0.000 0.389) 2.095 19.130 ( -6.842 0.000 4.393) 8.131 19.230 ( -11.975 0.000 2.189) 12.174 19.825 ( -3.516 0.000 14.308) 14.734 20.013 ( -12.249 0.000 8.430) 14.870 20.941 ( 1.979 0.000 -0.593) 2.066 21.278 ( -3.268 0.000 -3.538) 4.817 21.690 ( 14.866 0.000 -10.000) 17.917 22.922 ( -14.029 0.000 -17.959) 22.789 ======================= Grid point 158 (53/144) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 19.343 0.000 -4.277) 19.810 4.259 ( 32.544 0.000 19.176) 37.773 4.651 ( -12.322 0.000 -11.992) 17.194 5.341 ( -21.020 0.000 2.816) 21.208 5.652 ( 5.389 0.000 1.953) 5.732 5.736 ( 4.761 0.000 -12.373) 13.257 5.857 ( 5.212 0.000 4.573) 6.934 6.078 ( -9.735 0.000 -11.869) 15.351 6.509 ( 11.535 0.000 4.750) 12.475 6.588 ( 1.616 0.000 16.503) 16.582 7.043 ( -11.682 0.000 -8.811) 14.632 7.147 ( -19.067 0.000 22.675) 29.627 7.807 ( 25.737 0.000 12.787) 28.738 8.002 ( 3.962 0.000 8.818) 9.667 8.566 ( 22.855 0.000 -10.313) 25.074 8.711 ( 19.000 0.000 -4.304) 19.481 9.175 ( -7.201 0.000 -14.415) 16.113 9.451 ( -17.559 0.000 -0.035) 17.559 9.697 ( -0.392 0.000 12.564) 12.571 10.027 ( 16.105 0.000 -14.356) 21.575 10.573 ( -10.135 0.000 -5.278) 11.427 10.590 ( -13.818 0.000 -16.563) 21.570 10.853 ( -8.023 0.000 -9.259) 12.251 11.145 ( -11.006 0.000 -0.549) 11.020 11.192 ( 3.526 0.000 -6.626) 7.506 11.482 ( -12.276 0.000 -7.272) 14.269 11.671 ( 2.551 0.000 0.259) 2.564 11.929 ( -11.359 0.000 10.293) 15.329 12.262 ( 11.631 0.000 5.236) 12.755 12.899 ( -20.828 0.000 9.272) 22.798 13.234 ( 9.172 0.000 -7.619) 11.924 13.589 ( -7.814 0.000 0.074) 7.814 13.856 ( 10.610 0.000 0.782) 10.639 13.998 ( 12.010 0.000 -14.843) 19.093 14.283 ( 3.847 0.000 -11.163) 11.807 14.351 ( -10.862 0.000 -1.022) 10.910 14.589 ( 3.305 0.000 -9.350) 9.916 14.915 ( -6.458 0.000 -3.729) 7.457 15.032 ( 12.780 0.000 1.503) 12.868 15.167 ( 10.301 0.000 2.494) 10.598 15.302 ( 8.282 0.000 6.170) 10.328 15.644 ( -8.837 0.000 -2.796) 9.269 15.902 ( 0.435 0.000 3.630) 3.656 16.150 ( 1.609 0.000 -1.003) 1.896 16.287 ( -15.134 0.000 -16.442) 22.347 16.322 ( -1.719 0.000 20.272) 20.344 17.307 ( 29.321 0.000 14.044) 32.511 17.715 ( 23.710 0.000 -4.330) 24.102 18.138 ( -9.135 0.000 6.000) 10.929 18.500 ( -7.285 0.000 -0.848) 7.335 18.569 ( 3.623 0.000 7.429) 8.265 18.925 ( -12.971 0.000 12.614) 18.093 19.021 ( 5.598 0.000 2.388) 6.086 19.250 ( 9.271 0.000 11.363) 14.665 19.695 ( -9.887 0.000 16.597) 19.319 19.709 ( -18.513 0.000 9.623) 20.865 21.012 ( 4.956 0.000 -8.042) 9.446 21.205 ( -4.322 0.000 -7.589) 8.734 22.001 ( 17.117 0.000 -15.700) 23.227 22.638 ( -15.546 0.000 -19.414) 24.872 ======================= Grid point 159 (54/144) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( -11.759 0.000 -12.161) 16.917 4.423 ( 11.759 0.000 -12.161) 16.917 4.853 ( -28.965 0.000 12.002) 31.354 4.853 ( 28.965 0.000 12.002) 31.354 5.819 ( -8.555 0.000 2.899) 9.033 5.819 ( 8.555 0.000 2.899) 9.033 5.880 ( -9.674 0.000 -14.157) 17.146 5.880 ( 9.674 0.000 -14.157) 17.146 6.764 ( -14.996 0.000 -3.770) 15.463 6.764 ( 14.996 0.000 -3.770) 15.463 6.776 ( -17.232 0.000 23.545) 29.177 6.776 ( 17.232 0.000 23.545) 29.177 8.041 ( -3.912 0.000 10.344) 11.059 8.041 ( 3.912 0.000 10.344) 11.059 8.993 ( -14.328 0.000 -9.314) 17.089 8.993 ( 14.328 0.000 -9.314) 17.089 9.088 ( -19.827 0.000 -2.522) 19.987 9.088 ( 19.827 0.000 -2.522) 19.987 10.016 ( -32.676 0.000 0.676) 32.683 10.016 ( 32.676 0.000 0.676) 32.683 10.328 ( -14.916 0.000 -11.610) 18.902 10.328 ( 14.916 0.000 -11.610) 18.902 10.942 ( -9.800 0.000 -9.919) 13.943 10.942 ( 9.800 0.000 -9.919) 13.943 11.297 ( -7.364 0.000 -7.175) 10.282 11.297 ( 7.364 0.000 -7.175) 10.282 11.755 ( -6.531 0.000 6.332) 9.096 11.755 ( 6.531 0.000 6.332) 9.096 12.536 ( -16.707 0.000 6.633) 17.976 12.536 ( 16.707 0.000 6.633) 17.976 13.418 ( -9.635 0.000 -2.550) 9.967 13.418 ( 9.635 0.000 -2.550) 9.967 14.098 ( -13.999 0.000 -0.511) 14.009 14.098 ( 13.999 0.000 -0.511) 14.009 14.209 ( -9.229 0.000 -19.333) 21.423 14.209 ( 9.229 0.000 -19.333) 21.423 14.738 ( -10.324 0.000 -0.741) 10.350 14.738 ( 10.324 0.000 -0.741) 10.350 15.275 ( -9.933 0.000 4.776) 11.022 15.275 ( 9.933 0.000 4.776) 11.022 15.416 ( -13.796 0.000 -1.863) 13.922 15.416 ( 13.796 0.000 -1.863) 13.922 16.021 ( -11.624 0.000 -6.636) 13.385 16.021 ( 11.624 0.000 -6.636) 13.385 16.238 ( -5.999 0.000 14.061) 15.287 16.238 ( 5.999 0.000 14.061) 15.287 17.825 ( -23.070 0.000 9.405) 24.914 17.825 ( 23.070 0.000 9.405) 24.914 18.170 ( -22.580 0.000 -6.215) 23.419 18.170 ( 22.580 0.000 -6.215) 23.419 18.698 ( -9.666 0.000 12.530) 15.825 18.698 ( 9.666 0.000 12.530) 15.825 19.309 ( -18.142 0.000 7.404) 19.595 19.309 ( 18.142 0.000 7.404) 19.595 19.484 ( -10.284 0.000 15.687) 18.757 19.484 ( 10.284 0.000 15.687) 18.757 21.113 ( -5.250 0.000 -9.762) 11.084 21.113 ( 5.250 0.000 -9.762) 11.084 22.328 ( -16.790 0.000 -18.598) 25.056 22.328 ( 16.790 0.000 -18.598) 25.056 ======================= Grid point 165 (55/144) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 0.000 16.014 44.021) 46.843 2.294 ( 0.000 27.701 40.676) 49.212 4.112 ( 0.000 31.465 75.706) 81.984 4.786 ( 0.000 -2.881 15.006) 15.281 5.689 ( 0.000 -5.040 -21.872) 22.445 5.714 ( 0.000 -8.912 -7.528) 11.665 5.832 ( 0.000 -13.832 -10.263) 17.224 6.480 ( 0.000 -5.717 6.006) 8.292 6.562 ( 0.000 -6.135 -12.178) 13.637 6.632 ( 0.000 18.234 -11.715) 21.673 6.791 ( 0.000 4.876 -7.545) 8.984 7.157 ( 0.000 16.861 0.549) 16.870 7.632 ( 0.000 -1.172 14.786) 14.833 8.639 ( 0.000 -7.780 -19.399) 20.901 8.767 ( 0.000 5.810 -3.113) 6.591 8.911 ( 0.000 -14.355 -16.754) 22.062 8.977 ( 0.000 -9.298 -11.592) 14.861 9.069 ( 0.000 -1.093 -8.289) 8.361 9.919 ( 0.000 -13.829 -15.257) 20.592 10.050 ( 0.000 11.927 -3.940) 12.561 10.693 ( 0.000 -7.523 15.192) 16.953 10.900 ( 0.000 -17.057 -7.949) 18.819 11.035 ( 0.000 -10.739 14.800) 18.285 11.207 ( 0.000 5.989 0.656) 6.024 11.294 ( 0.000 7.398 -12.345) 14.392 11.905 ( 0.000 -4.155 18.638) 19.095 12.146 ( 0.000 -10.484 1.270) 10.561 12.510 ( 0.000 -1.097 9.800) 9.862 12.713 ( 0.000 3.119 11.347) 11.768 12.836 ( 0.000 6.813 11.496) 13.363 12.927 ( 0.000 12.918 3.055) 13.274 13.681 ( 0.000 -2.740 0.254) 2.752 13.706 ( 0.000 10.770 -10.794) 15.249 14.063 ( 0.000 -1.428 -3.914) 4.167 14.147 ( 0.000 15.380 -2.976) 15.665 14.165 ( 0.000 4.686 -5.234) 7.026 14.282 ( 0.000 11.180 -0.770) 11.207 14.297 ( 0.000 8.490 -10.157) 13.238 14.506 ( 0.000 -6.676 -2.344) 7.075 14.640 ( 0.000 -1.492 7.421) 7.570 14.907 ( 0.000 8.685 3.099) 9.221 15.682 ( 0.000 0.791 17.019) 17.038 15.895 ( 0.000 -1.785 -25.914) 25.975 15.910 ( 0.000 -5.281 -12.544) 13.611 16.212 ( 0.000 1.505 9.865) 9.979 16.660 ( 0.000 -0.017 -20.307) 20.307 16.992 ( 0.000 0.336 -8.070) 8.077 17.240 ( 0.000 -5.107 -10.282) 11.481 18.234 ( 0.000 -6.439 -6.162) 8.912 18.548 ( 0.000 -2.954 4.984) 5.794 18.576 ( 0.000 -14.753 -10.320) 18.004 18.886 ( 0.000 7.191 6.243) 9.523 18.972 ( 0.000 -0.159 4.176) 4.179 19.234 ( 0.000 1.149 -2.691) 2.926 19.867 ( 0.000 -5.289 -3.601) 6.398 20.014 ( 0.000 -10.088 2.278) 10.342 21.185 ( 0.000 14.340 17.312) 22.480 21.380 ( 0.000 3.828 14.742) 15.231 21.416 ( 0.000 3.842 4.475) 5.898 23.217 ( 0.000 -20.850 -0.065) 20.850 ======================= Grid point 166 (56/144) ======================= q-point: ( 0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 22.598 12.439 39.177) 46.907 2.614 ( 26.665 23.660 36.276) 50.860 4.379 ( 26.844 26.387 63.724) 74.011 4.814 ( 2.682 -3.805 13.214) 14.010 5.654 ( -1.436 -9.220 -10.043) 13.709 5.779 ( -3.779 -11.418 -11.926) 16.937 5.804 ( 4.885 -4.604 -14.061) 15.581 6.396 ( -8.379 -1.393 4.362) 9.549 6.536 ( -3.664 4.814 -8.611) 10.523 6.657 ( 3.495 0.316 -11.934) 12.439 6.828 ( 4.129 8.458 -6.139) 11.237 7.075 ( -7.246 16.154 -0.316) 17.708 7.647 ( 1.123 1.019 15.459) 15.533 8.359 ( -17.846 -5.649 -3.042) 18.965 8.487 ( -16.945 0.566 -9.572) 19.469 8.839 ( -10.499 -11.645 -7.482) 17.373 9.108 ( 15.616 4.597 -10.887) 19.584 9.318 ( 8.715 -8.265 -19.615) 23.000 9.881 ( -3.448 -13.835 -12.865) 19.204 10.061 ( 0.495 10.665 -3.264) 11.164 10.617 ( -4.620 -8.456 8.482) 12.837 10.904 ( -4.532 -8.959 -3.305) 10.569 11.050 ( 1.121 -15.448 5.956) 16.594 11.194 ( 2.842 4.952 3.236) 6.563 11.376 ( 2.851 1.089 -7.912) 8.480 11.955 ( 3.466 -0.764 16.710) 17.083 12.115 ( -3.432 -6.437 -0.387) 7.305 12.413 ( -7.108 1.573 7.677) 10.580 12.653 ( -7.975 9.194 7.189) 14.135 12.813 ( -2.588 6.059 6.989) 9.605 13.000 ( 9.775 5.297 6.891) 13.080 13.655 ( -3.243 -1.134 -12.666) 13.124 13.738 ( -1.068 2.591 -4.098) 4.965 13.934 ( 2.002 6.772 6.263) 9.439 13.998 ( -10.061 6.502 -11.257) 16.438 14.284 ( 7.499 2.933 -3.397) 8.740 14.325 ( 6.458 6.614 -9.528) 13.275 14.446 ( 9.003 8.007 10.493) 15.977 14.713 ( 11.931 -1.471 -0.921) 12.057 14.753 ( 9.095 -0.253 0.838) 9.137 14.981 ( 9.410 6.951 -2.629) 11.991 15.767 ( 4.343 -2.184 15.841) 16.570 15.806 ( -3.841 -3.492 -20.161) 20.819 15.948 ( 3.503 -0.895 -8.958) 9.660 16.221 ( 1.010 1.782 11.193) 11.379 16.543 ( -10.313 0.170 -18.141) 20.868 17.003 ( 0.805 -1.986 -11.162) 11.366 17.199 ( -5.005 -1.846 -13.756) 14.754 18.193 ( -3.866 -4.766 -5.890) 8.506 18.309 ( -7.392 -7.156 14.115) 17.466 18.671 ( -9.192 1.521 -1.416) 9.424 18.891 ( 13.658 -6.842 -6.332) 16.536 19.062 ( -0.436 0.635 2.314) 2.439 19.320 ( 8.512 0.070 5.507) 10.139 19.911 ( -4.081 -7.075 -1.806) 8.365 19.988 ( 3.767 -9.020 0.072) 9.775 21.158 ( -2.552 14.397 15.020) 20.962 21.390 ( 1.341 3.797 8.275) 9.203 21.422 ( 0.769 4.688 5.863) 7.546 23.167 ( -5.095 -18.247 -3.878) 19.338 ======================= Grid point 167 (57/144) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( 34.359 7.515 27.645) 44.735 3.174 ( 30.178 17.527 32.563) 47.731 4.855 ( 2.099 -4.693 8.756) 10.154 5.002 ( 29.033 4.884 23.659) 37.769 5.632 ( -1.122 -7.901 0.164) 7.982 5.647 ( -7.951 -10.012 -11.000) 16.866 5.968 ( 13.582 6.908 1.739) 15.337 6.227 ( -7.383 4.641 -2.826) 9.167 6.424 ( -7.265 4.821 -6.300) 10.757 6.731 ( 3.132 -1.496 -3.717) 5.086 6.949 ( 2.262 12.660 -0.742) 12.882 6.961 ( 3.242 6.412 -6.840) 9.920 7.642 ( -2.869 5.068 16.355) 17.361 8.105 ( -7.499 -6.283 -3.216) 10.298 8.316 ( -1.604 3.344 -2.264) 4.346 8.565 ( -15.407 -7.162 -5.170) 17.759 9.298 ( 0.126 -6.185 -20.675) 21.581 9.482 ( 13.312 3.768 -12.055) 18.350 9.802 ( -4.889 -14.879 -3.944) 16.150 10.023 ( -5.439 8.758 -0.848) 10.345 10.536 ( -2.863 -7.925 -1.093) 8.497 10.833 ( -2.417 -0.423 0.259) 2.467 11.036 ( -1.230 -10.467 0.632) 10.558 11.242 ( -0.852 -0.691 3.511) 3.678 11.386 ( 1.118 -3.915 -4.295) 5.919 11.873 ( -13.488 0.095 -4.256) 14.144 12.094 ( 2.487 4.470 10.607) 11.776 12.248 ( -12.221 6.698 2.037) 14.084 12.378 ( -15.389 9.818 7.762) 19.836 12.960 ( 12.718 -8.061 0.079) 15.058 13.096 ( 0.924 5.471 -4.619) 7.219 13.665 ( 6.961 -3.056 -6.821) 10.214 13.770 ( 2.449 0.320 -0.114) 2.472 13.866 ( -3.408 9.660 -2.883) 10.641 13.986 ( -1.025 2.603 6.614) 7.181 14.387 ( 6.879 0.539 -7.795) 10.410 14.472 ( 7.276 1.746 -14.291) 16.132 14.685 ( 10.937 11.334 17.527) 23.564 14.751 ( 1.535 -1.928 0.762) 2.580 15.013 ( 11.525 2.749 -5.623) 13.115 15.167 ( 5.952 4.883 -5.139) 9.256 15.670 ( -3.853 -9.479 -0.606) 10.250 15.823 ( -2.022 -5.215 -8.996) 10.593 16.181 ( 17.959 1.755 9.155) 20.235 16.271 ( 6.151 5.624 17.701) 19.565 16.337 ( -9.980 -1.592 -19.343) 21.824 17.017 ( -4.624 -2.506 -13.996) 14.952 17.076 ( -0.173 1.996 -10.258) 10.452 18.127 ( -1.754 -6.778 0.350) 7.010 18.303 ( 5.287 0.262 18.672) 19.408 18.526 ( -5.989 -4.846 -1.654) 7.880 19.044 ( 0.137 1.427 4.533) 4.755 19.091 ( 5.762 -5.123 -5.916) 9.718 19.378 ( -5.615 -4.510 2.730) 7.702 19.795 ( -4.103 -7.054 8.647) 11.889 20.044 ( -1.112 -9.053 2.017) 9.342 21.107 ( -2.024 14.414 7.843) 16.535 21.394 ( -1.104 5.981 0.802) 6.135 21.503 ( 8.120 3.956 0.273) 9.037 23.030 ( -9.044 -13.344 -10.907) 19.464 ======================= Grid point 168 (58/144) ======================= q-point: ( 0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 28.773 6.748 17.523) 34.359 3.774 ( 33.031 9.314 24.153) 41.966 4.817 ( -6.042 -5.309 -2.892) 8.547 5.288 ( 1.910 -15.758 -0.456) 15.879 5.499 ( -4.173 -4.753 -9.837) 11.695 5.659 ( 3.002 -5.518 1.261) 6.408 6.083 ( -8.207 9.399 -6.573) 14.103 6.193 ( -1.050 2.214 3.583) 4.341 6.412 ( 7.865 10.426 2.998) 13.399 6.739 ( -2.286 4.882 4.677) 7.137 7.098 ( 6.415 1.574 -4.771) 8.148 7.147 ( 23.372 6.847 7.595) 25.511 7.499 ( -9.746 3.586 14.630) 17.942 8.028 ( -2.259 -1.777 2.216) 3.629 8.342 ( 1.715 -3.276 -7.003) 7.919 8.457 ( 9.627 5.570 -2.110) 11.321 9.224 ( -5.889 -5.888 -16.535) 18.514 9.640 ( -4.819 -11.140 5.036) 13.141 9.769 ( 3.283 1.031 -8.507) 9.176 9.898 ( -1.127 10.961 -2.420) 11.282 10.534 ( 2.550 -4.473 -12.740) 13.741 10.768 ( -4.969 0.638 2.415) 5.561 11.005 ( -3.903 -8.199 -4.322) 10.057 11.202 ( -1.430 -0.792 -0.245) 1.653 11.379 ( -6.075 0.049 -0.940) 6.147 11.610 ( -8.580 -1.633 -10.508) 13.663 11.879 ( -21.593 11.183 -7.736) 25.518 12.123 ( -5.686 0.253 8.840) 10.514 12.213 ( 0.895 7.319 8.356) 11.144 13.060 ( -2.766 -6.608 1.432) 7.305 13.213 ( 8.712 5.163 -5.004) 11.296 13.686 ( -6.082 -3.024 2.611) 7.277 13.756 ( -0.811 4.119 -5.334) 6.788 13.954 ( 8.123 10.835 0.773) 13.564 13.999 ( 7.191 -5.961 0.050) 9.341 14.518 ( 2.152 2.369 -14.963) 15.302 14.581 ( 3.003 1.551 -5.234) 6.230 14.716 ( 3.901 -8.223 -1.658) 9.251 14.919 ( 8.637 5.449 9.611) 14.023 15.102 ( -6.636 4.695 -3.174) 8.727 15.276 ( 12.545 9.201 -0.886) 15.583 15.669 ( 1.173 -16.066 6.566) 17.396 15.781 ( -1.259 -0.295 -2.726) 3.017 16.128 ( -10.839 -7.323 -13.071) 18.492 16.340 ( 3.694 5.649 4.028) 7.860 16.626 ( 14.712 7.057 6.975) 17.745 16.889 ( 3.163 5.344 -2.580) 6.724 17.269 ( 17.053 -3.647 -1.465) 17.500 18.128 ( 0.997 -7.853 5.839) 9.837 18.423 ( -1.759 -5.847 4.504) 7.587 18.474 ( 8.315 -0.157 8.687) 12.027 19.052 ( -4.082 -3.547 -2.360) 5.901 19.100 ( -3.796 0.200 2.736) 4.684 19.161 ( -9.919 -5.536 7.788) 13.773 19.733 ( -4.358 -8.673 13.444) 16.582 19.927 ( -10.797 -7.679 8.815) 15.914 21.101 ( 1.522 14.330 -1.615) 14.501 21.361 ( -2.278 7.684 -3.374) 8.696 21.716 ( 13.599 2.284 -9.209) 16.582 22.828 ( -11.845 -9.048 -16.114) 21.951 ======================= Grid point 169 (59/144) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.119 ( 18.531 1.279 5.815) 19.464 4.358 ( 24.119 4.593 10.768) 26.810 4.669 ( -5.572 0.981 -4.486) 7.220 5.207 ( -8.878 -10.628 7.160) 15.590 5.518 ( 5.009 -5.839 -8.446) 11.424 5.700 ( -0.561 -8.569 -2.297) 8.889 5.963 ( -1.711 8.100 -0.392) 8.288 6.097 ( -7.211 1.563 -11.528) 13.687 6.519 ( 4.993 4.963 3.566) 7.892 6.720 ( 3.288 4.891 9.646) 11.304 7.050 ( -17.339 4.674 -1.672) 18.035 7.105 ( -9.514 -4.853 12.191) 16.208 7.841 ( 23.077 1.174 13.316) 26.669 8.020 ( 1.730 5.686 11.605) 13.038 8.543 ( 18.417 -1.502 -11.204) 21.610 8.761 ( 19.780 3.028 -4.898) 20.601 9.103 ( -6.512 -4.009 -12.362) 14.536 9.554 ( -14.494 5.776 -1.327) 15.659 9.613 ( 4.905 -2.907 10.826) 12.236 10.128 ( 15.717 7.102 -12.465) 21.279 10.570 ( -9.794 -1.801 -15.854) 18.722 10.642 ( -6.110 1.912 -3.715) 7.402 10.804 ( -9.974 -6.074 -7.721) 13.999 11.193 ( -10.596 8.427 -2.536) 13.774 11.210 ( 1.855 -0.038 -5.894) 6.179 11.465 ( -13.049 -2.456 -12.263) 18.075 11.626 ( 0.509 -1.456 -0.784) 1.730 11.916 ( -12.333 -0.864 9.463) 15.569 12.350 ( 10.451 8.557 5.210) 14.478 12.867 ( -15.195 -0.921 8.678) 17.523 13.349 ( 7.178 9.922 -4.959) 13.212 13.619 ( -4.444 0.200 -0.102) 4.450 13.808 ( 8.659 -2.274 -6.343) 10.972 14.051 ( 3.320 1.787 -5.908) 7.009 14.216 ( 10.908 -4.186 -3.481) 12.191 14.431 ( -8.455 6.105 -9.236) 13.930 14.559 ( -1.375 -0.989 -7.985) 8.163 14.879 ( -9.202 -8.656 4.072) 13.273 14.947 ( 11.910 -4.735 -2.797) 13.118 15.102 ( 7.739 5.112 5.067) 10.568 15.503 ( 7.987 7.996 3.407) 11.804 15.668 ( 0.048 -16.848 1.422) 16.908 15.734 ( -5.447 7.242 -0.261) 9.066 15.955 ( -6.124 -10.840 -3.061) 12.821 16.370 ( 1.247 9.908 -2.175) 10.220 16.594 ( -6.913 13.313 3.055) 15.309 17.312 ( 28.314 0.597 13.341) 31.305 17.682 ( 24.481 -3.356 -2.213) 24.809 18.090 ( -7.398 -4.979 5.379) 10.414 18.418 ( 3.774 -13.345 7.515) 15.774 18.526 ( -11.270 1.289 -2.725) 11.666 18.856 ( -15.537 -5.413 13.036) 20.992 18.977 ( 7.883 -4.180 5.621) 10.545 19.235 ( 8.339 -1.234 10.261) 13.280 19.599 ( -10.383 -9.123 10.260) 17.213 19.658 ( -15.600 -4.572 14.598) 21.848 21.157 ( 3.937 13.259 -7.957) 15.957 21.308 ( -3.252 9.495 -7.363) 12.447 22.001 ( 15.689 -0.243 -14.876) 21.622 22.581 ( -13.879 -5.687 -18.290) 23.653 ======================= Grid point 170 (60/144) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.387 ( -10.475 -2.010 -5.576) 12.036 4.387 ( 10.475 -2.010 -5.576) 12.036 4.920 ( -20.410 4.014 10.831) 23.452 4.920 ( 20.410 4.014 10.831) 23.452 5.644 ( -5.722 -11.611 -4.418) 13.677 5.644 ( 5.722 -11.611 -4.418) 13.677 5.980 ( -3.412 5.292 -7.027) 9.435 5.980 ( 3.412 5.292 -7.027) 9.435 6.697 ( -14.630 0.994 7.199) 16.336 6.697 ( 14.630 0.994 7.199) 16.336 6.894 ( -11.804 3.122 7.730) 14.452 6.894 ( 11.804 3.122 7.730) 14.452 8.043 ( -1.686 2.054 11.705) 12.003 8.043 ( 1.686 2.054 11.705) 12.003 8.866 ( -12.190 -7.422 -10.376) 17.645 8.866 ( 12.190 -7.422 -10.376) 17.645 9.209 ( -18.527 6.907 -3.553) 20.090 9.209 ( 18.527 6.907 -3.553) 20.090 10.042 ( -33.745 3.405 -0.158) 33.917 10.042 ( 33.745 3.405 -0.158) 33.917 10.421 ( -14.224 3.973 -8.781) 17.182 10.421 ( 14.224 3.973 -8.781) 17.182 10.936 ( -13.919 0.900 -12.414) 18.673 10.936 ( 13.919 0.900 -12.414) 18.673 11.288 ( -5.909 -0.013 -7.009) 9.167 11.288 ( 5.909 -0.013 -7.009) 9.167 11.716 ( -7.822 -3.084 5.371) 9.977 11.716 ( 7.822 -3.084 5.371) 9.977 12.583 ( -13.689 5.419 6.415) 16.060 12.583 ( 13.689 5.419 6.415) 16.060 13.495 ( -7.626 6.304 -2.062) 10.106 13.495 ( 7.626 6.304 -2.062) 10.106 14.007 ( -8.943 -5.787 -7.702) 13.145 14.007 ( 8.943 -5.787 -7.702) 13.145 14.325 ( -1.921 6.754 -10.273) 12.444 14.325 ( 1.921 6.754 -10.273) 12.444 14.648 ( -10.999 -6.959 1.735) 13.131 14.648 ( 10.999 -6.959 1.735) 13.131 15.161 ( -4.776 -3.543 0.951) 6.023 15.161 ( 4.776 -3.543 0.951) 6.023 15.566 ( -4.253 -0.491 7.781) 8.881 15.566 ( 4.253 -0.491 7.781) 8.881 15.820 ( -8.932 -4.012 -8.040) 12.669 15.820 ( 8.932 -4.012 -8.040) 12.670 16.455 ( -7.036 12.826 6.367) 15.954 16.455 ( 7.036 12.826 6.367) 15.954 17.807 ( -21.485 -2.036 8.059) 23.037 17.807 ( 21.485 -2.036 8.059) 23.037 18.155 ( -23.400 -2.075 -5.370) 24.098 18.155 ( 23.400 -2.075 -5.370) 24.098 18.575 ( -12.181 -10.439 13.829) 21.180 18.575 ( 12.181 -10.439 13.829) 21.180 19.274 ( -17.956 -3.781 7.766) 19.925 19.274 ( 17.956 -3.781 7.766) 19.925 19.431 ( -9.647 -4.528 14.555) 18.039 19.431 ( 9.647 -4.528 14.555) 18.039 21.237 ( -4.096 11.443 -9.447) 15.393 21.237 ( 4.096 11.443 -9.447) 15.393 22.300 ( -15.339 -2.879 -17.748) 23.634 22.300 ( 15.339 -2.879 -17.748) 23.634 ======================= Grid point 176 (61/144) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 0.000 28.637 31.791) 42.787 2.987 ( 0.000 39.646 28.140) 48.618 4.569 ( 0.000 -19.417 11.180) 22.406 4.827 ( 0.000 35.078 53.183) 63.709 5.370 ( 0.000 -25.873 0.658) 25.881 5.596 ( 0.000 -9.140 -8.327) 12.365 5.707 ( 0.000 7.029 -9.836) 12.090 6.326 ( 0.000 -12.833 -7.974) 15.109 6.408 ( 0.000 0.879 4.395) 4.482 6.935 ( 0.000 10.371 -15.187) 18.390 7.033 ( 0.000 17.354 -11.883) 21.032 7.554 ( 0.000 18.708 -0.347) 18.711 7.603 ( 0.000 -1.064 14.842) 14.880 8.345 ( 0.000 -20.807 -12.156) 24.097 8.473 ( 0.000 -18.034 -28.952) 34.109 8.775 ( 0.000 -10.644 -14.123) 17.685 9.014 ( 0.000 10.148 13.403) 16.812 9.089 ( 0.000 2.645 -10.271) 10.606 9.725 ( 0.000 -5.727 -14.257) 15.364 10.279 ( 0.000 -4.513 3.749) 5.868 10.481 ( 0.000 0.444 12.364) 12.372 10.612 ( 0.000 -10.848 -9.385) 14.345 10.780 ( 0.000 -10.043 7.598) 12.593 11.376 ( 0.000 9.807 -4.851) 10.942 11.394 ( 0.000 1.123 -5.938) 6.044 11.882 ( 0.000 -14.548 1.433) 14.619 11.916 ( 0.000 3.918 21.490) 21.844 12.434 ( 0.000 -6.579 10.953) 12.777 12.808 ( 0.000 5.201 7.839) 9.408 13.001 ( 0.000 11.742 11.062) 16.132 13.044 ( 0.000 -0.528 3.662) 3.700 13.682 ( 0.000 2.683 -1.878) 3.275 13.912 ( 0.000 5.167 -16.991) 17.759 14.090 ( 0.000 7.195 0.141) 7.196 14.142 ( 0.000 -14.763 0.217) 14.765 14.281 ( 0.000 6.471 -4.612) 7.946 14.404 ( 0.000 0.423 -4.576) 4.595 14.501 ( 0.000 4.185 -12.269) 12.963 14.543 ( 0.000 14.308 -1.579) 14.394 14.794 ( 0.000 15.332 -5.063) 16.147 15.128 ( 0.000 12.645 11.533) 17.114 15.644 ( 0.000 -5.278 -3.914) 6.571 15.793 ( 0.000 -4.755 -15.543) 16.254 15.893 ( 0.000 1.961 -3.744) 4.226 16.248 ( 0.000 2.446 12.717) 12.951 16.675 ( 0.000 1.908 -19.002) 19.098 16.977 ( 0.000 -2.545 -10.125) 10.440 17.042 ( 0.000 -15.423 0.809) 15.444 18.091 ( 0.000 -5.687 0.486) 5.707 18.310 ( 0.000 -10.969 -12.933) 16.958 18.574 ( 0.000 4.276 -1.831) 4.652 18.920 ( 0.000 -4.475 1.276) 4.653 19.015 ( 0.000 6.199 7.314) 9.588 19.230 ( 0.000 -1.319 -2.829) 3.121 19.736 ( 0.000 -7.258 -6.058) 9.453 19.803 ( 0.000 -10.220 5.689) 11.696 21.466 ( 0.000 5.311 10.576) 11.835 21.500 ( 0.000 4.007 4.663) 6.148 21.528 ( 0.000 18.310 14.607) 23.422 22.764 ( 0.000 -23.043 8.537) 24.574 ======================= Grid point 177 (62/144) ======================= q-point: ( 0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 14.150 24.292 30.748) 41.662 3.221 ( 20.249 35.395 27.529) 49.200 4.579 ( 1.038 -19.845 10.409) 22.433 4.968 ( 12.497 27.620 40.086) 50.258 5.394 ( 1.904 -20.457 2.059) 20.649 5.564 ( -3.358 -8.494 -6.289) 11.089 5.761 ( 6.632 1.521 -11.286) 13.178 6.323 ( -3.000 -11.996 -2.410) 12.598 6.398 ( 2.181 4.648 3.179) 6.038 6.916 ( -1.573 12.319 -16.288) 20.483 7.066 ( 2.969 15.695 -11.191) 19.504 7.441 ( -7.907 15.045 0.723) 17.011 7.702 ( 6.433 5.584 12.505) 15.131 8.164 ( -13.880 -10.796 -9.898) 20.178 8.369 ( -7.355 -14.676 -14.271) 21.752 8.675 ( -9.240 -4.724 -8.851) 13.639 9.140 ( 4.285 -4.355 -10.496) 12.145 9.216 ( 15.167 3.491 0.242) 15.565 9.674 ( -4.939 -6.013 -10.843) 13.346 10.270 ( 0.426 -3.764 1.442) 4.054 10.388 ( -9.195 -4.748 9.304) 13.916 10.670 ( 4.357 -12.801 -7.190) 15.315 10.746 ( -1.518 -7.283 5.460) 9.228 11.347 ( -4.187 3.893 -3.589) 6.751 11.428 ( 2.819 5.993 -4.660) 8.098 11.893 ( 2.558 -7.405 5.519) 9.583 12.051 ( 9.409 1.964 12.761) 15.975 12.384 ( -5.084 -4.033 8.370) 10.591 12.766 ( -4.374 5.699 6.520) 9.702 12.988 ( -6.539 6.050 3.585) 9.603 13.066 ( 7.489 3.596 9.682) 12.757 13.653 ( -3.013 1.493 -5.936) 6.822 13.780 ( -10.546 -1.103 -15.891) 19.103 14.004 ( -4.749 -4.939 -4.596) 8.250 14.103 ( 2.183 9.645 0.778) 9.919 14.365 ( 2.284 3.880 -2.555) 5.177 14.476 ( 6.170 6.215 -11.390) 14.367 14.582 ( 8.693 5.816 6.913) 12.537 14.717 ( 12.841 4.055 -9.159) 16.286 14.884 ( 6.291 9.690 2.647) 11.852 15.141 ( 3.949 8.477 1.712) 9.507 15.645 ( -5.288 -8.273 -1.039) 9.873 15.753 ( 0.798 -0.404 -17.274) 17.298 15.980 ( 8.449 3.315 1.695) 9.233 16.268 ( 2.580 3.106 14.967) 15.502 16.553 ( -11.230 0.933 -15.579) 19.228 16.926 ( -2.911 -6.112 -9.404) 11.587 17.079 ( 1.230 -11.182 -3.480) 11.775 18.100 ( -0.845 -3.076 -5.198) 6.098 18.182 ( -5.174 -4.839 -0.144) 7.085 18.670 ( -7.716 -0.993 -4.764) 9.122 18.786 ( 6.672 -4.245 2.659) 8.343 19.099 ( 1.241 3.471 5.489) 6.612 19.298 ( 5.542 -1.471 1.366) 5.894 19.738 ( -5.746 -9.271 5.352) 12.149 19.797 ( 4.079 -9.719 -4.973) 11.654 21.459 ( -2.509 9.586 7.397) 12.365 21.497 ( 2.908 6.603 7.396) 10.332 21.547 ( 0.917 12.385 8.397) 14.991 22.752 ( -1.460 -21.949 3.958) 22.351 ======================= Grid point 178 (63/144) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 27.637 14.179 25.738) 40.340 3.638 ( 21.634 27.732 28.330) 45.163 4.600 ( 0.866 -19.564 7.801) 21.080 5.153 ( 3.546 7.949 11.877) 14.725 5.441 ( 3.045 -11.180 2.826) 11.927 5.493 ( -3.335 -5.104 -9.598) 11.371 5.943 ( 9.623 -11.448 -6.525) 16.317 6.231 ( -4.819 -8.026 1.011) 9.417 6.534 ( 11.421 16.282 7.720) 21.334 6.889 ( -1.332 13.197 -16.647) 21.285 7.120 ( 1.880 10.709 -7.698) 13.322 7.313 ( -2.172 18.508 0.550) 18.644 7.805 ( 1.330 10.909 10.369) 15.109 7.951 ( -6.819 -7.851 -4.220) 11.223 8.239 ( -4.766 -9.608 -5.889) 12.235 8.528 ( -2.995 1.934 0.172) 3.570 9.172 ( -0.805 -5.256 -11.003) 12.221 9.510 ( 8.010 -8.091 -2.093) 11.576 9.574 ( 1.344 0.542 -5.671) 5.853 10.172 ( -9.784 1.809 -3.871) 10.676 10.341 ( 5.046 -11.317 3.233) 12.806 10.708 ( 0.193 -16.949 6.967) 18.326 10.784 ( 3.854 -2.398 -9.569) 10.591 11.191 ( -10.801 -4.758 -2.684) 12.104 11.494 ( 3.548 12.510 -2.099) 13.172 11.888 ( -6.837 1.683 -2.547) 7.488 12.167 ( 1.448 1.144 11.777) 11.920 12.253 ( -6.461 -2.890 4.320) 8.292 12.622 ( -14.670 9.517 -2.323) 17.640 12.886 ( 1.589 2.115 -2.107) 3.382 13.201 ( 5.660 4.446 6.426) 9.648 13.646 ( 5.679 0.622 -9.340) 10.949 13.701 ( -0.080 -5.518 -7.320) 9.167 13.976 ( 1.657 -0.531 3.049) 3.511 14.101 ( -4.026 8.274 1.501) 9.323 14.404 ( 2.426 2.094 -7.868) 8.496 14.565 ( 2.827 8.596 -14.633) 17.205 14.693 ( 0.939 -2.393 1.939) 3.220 14.936 ( 8.655 8.590 13.194) 17.966 15.068 ( 14.466 -0.940 0.158) 14.497 15.284 ( 7.915 5.474 -6.340) 11.524 15.474 ( -9.365 -4.169 -0.530) 10.265 15.757 ( -1.098 -0.527 -12.142) 12.203 16.216 ( 11.812 1.585 4.100) 12.603 16.307 ( -10.926 -1.281 -15.891) 19.327 16.384 ( 10.528 5.249 19.547) 22.814 16.880 ( -0.461 -8.767 -5.819) 10.533 17.116 ( 3.565 -1.934 -2.890) 4.981 17.975 ( -6.741 -6.144 -6.236) 11.049 18.254 ( 4.771 -6.186 1.564) 7.967 18.484 ( -5.496 2.399 7.423) 9.543 18.945 ( 4.777 -8.512 -2.822) 10.161 19.109 ( 0.802 4.074 8.432) 9.399 19.313 ( -5.922 -0.419 0.465) 5.955 19.619 ( -5.358 -9.988 11.053) 15.831 19.834 ( -1.282 -11.532 -0.256) 11.606 21.420 ( -1.098 13.945 2.546) 14.218 21.555 ( 0.307 9.997 2.367) 10.278 21.593 ( 6.852 6.093 0.603) 9.189 22.699 ( -4.287 -18.890 -4.997) 20.004 ======================= Grid point 179 (64/144) ======================= q-point: ( 0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 29.884 6.594 17.092) 35.052 4.016 ( 17.661 15.987 26.933) 35.957 4.604 ( -0.557 -14.148 5.066) 15.038 5.133 ( -3.252 -2.320 4.468) 5.993 5.455 ( 0.164 1.142 -8.774) 8.850 5.484 ( 0.728 -9.614 -3.735) 10.340 6.037 ( 0.003 -14.016 -2.601) 14.255 6.153 ( -3.222 -6.387 -4.968) 8.709 6.680 ( 1.309 14.076 -0.040) 14.137 6.847 ( -3.797 9.476 -9.898) 14.219 7.114 ( -3.065 2.944 -0.441) 4.273 7.504 ( 13.189 7.687 3.667) 15.700 7.607 ( -8.622 20.986 1.590) 22.743 8.026 ( 10.047 1.784 12.222) 15.922 8.255 ( 7.696 -5.433 -6.137) 11.243 8.598 ( 8.610 8.161 0.280) 11.866 9.122 ( -3.796 -3.921 -8.664) 10.239 9.434 ( -2.807 -7.932 12.257) 14.867 9.804 ( 8.625 1.361 -12.736) 15.442 10.059 ( -0.813 2.580 -6.196) 6.760 10.441 ( 5.153 -5.573 -4.756) 8.957 10.656 ( -6.820 -11.831 5.957) 14.899 10.825 ( -1.009 -5.071 -12.113) 13.171 11.056 ( -0.338 -11.005 -4.352) 11.839 11.533 ( -0.124 13.223 -1.772) 13.342 11.634 ( -15.651 4.300 -7.810) 18.012 12.021 ( -18.826 -1.895 -2.713) 19.115 12.125 ( -8.285 1.074 1.010) 8.415 12.450 ( 2.461 15.758 1.971) 16.071 12.956 ( 2.323 -1.975 -1.214) 3.281 13.337 ( 8.925 4.127 5.006) 11.034 13.650 ( -6.248 -0.147 -0.631) 6.281 13.783 ( 5.275 0.625 -13.688) 14.682 14.005 ( -2.051 5.283 -0.153) 5.669 14.065 ( 5.869 -1.746 11.339) 12.886 14.477 ( 5.276 -3.825 -7.662) 10.058 14.588 ( 0.474 6.611 -15.003) 16.402 14.651 ( -3.851 -3.832 -2.007) 5.791 15.085 ( 4.756 -0.065 12.835) 13.688 15.150 ( -6.933 -3.117 10.705) 13.129 15.370 ( 0.058 -0.673 -1.226) 1.400 15.479 ( 10.352 10.985 -11.659) 19.072 15.778 ( 4.567 -2.493 -1.616) 5.448 16.031 ( -12.929 -0.578 -9.422) 16.008 16.418 ( 6.897 1.461 1.059) 7.129 16.711 ( 16.820 -0.860 5.330) 17.665 16.960 ( 10.291 2.112 2.027) 10.699 17.248 ( 11.922 2.706 3.803) 12.803 17.911 ( 0.603 -12.524 4.278) 13.248 18.186 ( -8.122 -13.766 -5.780) 16.997 18.578 ( 10.331 7.065 12.638) 17.786 18.917 ( -7.684 -7.770 -2.581) 11.228 19.075 ( -10.972 -2.076 11.954) 16.358 19.166 ( -0.933 5.345 2.517) 5.981 19.516 ( -6.113 -12.360 12.672) 18.727 19.740 ( -8.329 -10.681 7.662) 15.562 21.425 ( 1.529 15.947 -4.275) 16.581 21.555 ( -0.324 11.932 -3.056) 12.322 21.761 ( 10.410 1.948 -7.363) 12.898 22.586 ( -7.399 -14.767 -12.114) 20.483 ======================= Grid point 180 (65/144) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.229 ( 11.412 8.945 10.087) 17.664 4.377 ( 15.950 -1.681 9.004) 18.393 4.603 ( 5.012 -7.437 12.965) 15.765 5.074 ( -3.759 -3.836 8.427) 9.993 5.473 ( -0.142 -8.369 -8.690) 12.066 5.485 ( 0.519 1.217 -7.446) 7.563 6.005 ( -0.755 -7.374 3.395) 8.153 6.093 ( -3.647 -3.844 -8.111) 9.688 6.688 ( -0.191 10.360 -3.875) 11.063 6.783 ( 1.086 5.871 -1.692) 6.206 6.987 ( -10.114 -3.042 8.705) 13.687 7.226 ( -16.387 7.801 -4.625) 18.729 7.938 ( 16.188 10.666 8.230) 21.061 8.195 ( 4.741 9.429 15.172) 18.481 8.499 ( 13.322 -3.700 -9.323) 16.676 8.801 ( 9.512 1.160 -7.964) 12.460 9.057 ( 0.796 -0.272 -4.894) 4.966 9.568 ( 17.560 1.480 11.739) 21.174 9.720 ( -13.300 6.227 -5.239) 15.592 10.177 ( 9.255 -3.852 -7.438) 12.482 10.500 ( -5.875 -5.416 -2.886) 8.496 10.609 ( 10.331 -6.986 -12.434) 17.611 10.662 ( -16.416 -1.767 -12.904) 20.955 11.098 ( -0.037 -10.676 -9.944) 14.590 11.427 ( -5.394 1.575 -10.624) 12.019 11.472 ( -6.082 16.163 -2.546) 17.456 11.672 ( -10.872 2.637 -4.246) 11.966 11.920 ( -12.898 1.612 5.524) 14.124 12.584 ( 8.991 14.613 3.964) 17.609 12.914 ( -6.694 5.479 5.239) 10.113 13.495 ( 5.168 -9.926 1.672) 11.315 13.562 ( 0.442 7.694 -2.129) 7.995 13.833 ( 1.777 3.950 -10.810) 11.646 14.038 ( 0.413 0.035 -3.050) 3.078 14.152 ( 6.328 -4.116 6.200) 9.769 14.485 ( -4.527 0.040 -11.223) 12.101 14.576 ( -2.507 0.357 -3.859) 4.616 14.681 ( 2.640 -5.890 -1.480) 6.622 14.969 ( -1.234 -6.032 11.966) 13.457 15.207 ( 4.709 8.768 3.754) 10.637 15.320 ( -3.994 -11.303 4.260) 12.722 15.546 ( -7.381 -1.217 -9.726) 12.270 15.877 ( 3.360 4.733 -6.244) 8.526 15.914 ( 3.399 4.574 5.486) 7.910 16.542 ( 6.904 6.579 1.310) 9.627 16.806 ( -3.323 8.709 -9.308) 13.173 17.332 ( 23.319 0.567 10.281) 25.491 17.585 ( 20.845 -5.297 5.050) 22.092 17.957 ( -1.539 -7.650 3.215) 8.440 18.077 ( 3.119 -18.951 5.933) 20.102 18.550 ( -17.250 0.672 0.306) 17.266 18.766 ( -18.505 -3.530 13.496) 23.174 18.913 ( 11.451 -0.225 10.297) 15.402 19.213 ( 4.349 -0.486 8.235) 9.326 19.385 ( -7.793 -11.429 9.067) 16.540 19.533 ( -12.440 -7.797 12.645) 19.377 21.467 ( 2.548 16.129 -8.693) 18.498 21.542 ( -1.054 13.678 -7.468) 15.620 21.980 ( 12.081 -2.224 -12.869) 17.790 22.419 ( -9.963 -10.485 -15.537) 21.227 ======================= Grid point 181 (66/144) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.388 ( -6.191 2.504 2.721) 7.211 4.388 ( 6.191 2.504 2.721) 7.211 4.897 ( -15.751 -7.551 14.953) 22.994 4.897 ( 15.751 -7.551 14.953) 22.994 5.480 ( -1.362 -2.284 -9.175) 9.553 5.480 ( 1.362 -2.284 -9.175) 9.553 6.029 ( -2.623 -3.310 -1.210) 4.393 6.029 ( 2.623 -3.310 -1.210) 4.393 6.741 ( -7.709 3.722 2.280) 8.859 6.741 ( 7.709 3.722 2.280) 8.859 6.965 ( -10.880 5.707 0.410) 12.293 6.965 ( 10.880 5.707 0.410) 12.293 8.163 ( -7.425 9.349 11.798) 16.785 8.163 ( 7.425 9.349 11.798) 16.785 8.728 ( -11.094 -6.941 -8.960) 15.860 8.728 ( 11.094 -6.941 -8.960) 15.860 9.334 ( -20.780 6.589 -4.192) 22.199 9.334 ( 20.780 6.589 -4.192) 22.199 10.105 ( -27.912 -2.420 -3.385) 28.221 10.105 ( 27.912 -2.420 -3.385) 28.221 10.393 ( -5.836 -0.944 -4.672) 7.535 10.393 ( 5.836 -0.944 -4.672) 7.535 10.911 ( -16.963 -6.388 -18.512) 25.909 10.911 ( 16.963 -6.388 -18.512) 25.909 11.392 ( -2.761 10.926 -5.453) 12.520 11.392 ( 2.761 10.926 -5.453) 12.520 11.688 ( -9.220 0.904 4.058) 10.114 11.688 ( 9.220 0.904 4.058) 10.114 12.756 ( -8.785 11.665 5.258) 15.521 12.756 ( 8.785 11.665 5.258) 15.521 13.560 ( -2.629 -3.593 -2.561) 5.137 13.560 ( 2.629 -3.593 -2.561) 5.137 13.938 ( -8.029 1.639 -4.773) 9.483 13.938 ( 8.029 1.639 -4.773) 9.483 14.342 ( -10.386 -4.681 -1.557) 11.498 14.342 ( 10.386 -4.681 -1.557) 11.498 14.590 ( -4.696 1.058 -2.095) 5.250 14.590 ( 4.696 1.058 -2.095) 5.250 15.147 ( -11.560 -6.632 7.603) 15.343 15.147 ( 11.560 -6.632 7.603) 15.343 15.353 ( -8.342 -2.563 -2.621) 9.112 15.353 ( 8.342 -2.563 -2.621) 9.112 15.943 ( -1.823 5.716 -0.578) 6.028 15.943 ( 1.823 5.716 -0.578) 6.028 16.689 ( -7.812 11.815 -2.102) 14.319 16.689 ( 7.812 11.815 -2.102) 14.319 17.700 ( -12.961 -11.173 1.161) 17.151 17.700 ( 12.961 -11.173 1.161) 17.151 18.087 ( -18.447 -2.291 3.558) 18.926 18.087 ( 18.447 -2.291 3.558) 18.926 18.394 ( -15.957 -6.579 15.358) 23.104 18.394 ( 15.957 -6.579 15.358) 23.104 19.180 ( -13.867 -4.355 8.638) 16.908 19.180 ( 13.867 -4.355 8.638) 16.908 19.328 ( -7.874 -5.710 11.564) 15.111 19.328 ( 7.874 -5.710 11.564) 15.111 21.513 ( -2.024 15.189 -9.601) 18.082 21.513 ( 2.024 15.189 -9.601) 18.082 22.210 ( -11.709 -6.349 -15.611) 20.521 22.210 ( 11.709 -6.349 -15.611) 20.521 ======================= Grid point 187 (67/144) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( 0.000 31.832 18.924) 37.032 3.714 ( 0.000 19.069 14.558) 23.991 4.159 ( 0.000 -6.823 17.019) 18.335 4.715 ( 0.000 -37.034 13.912) 39.561 5.324 ( 0.000 12.376 17.042) 21.062 5.460 ( 0.000 -5.015 0.219) 5.020 5.908 ( 0.000 10.993 -7.164) 13.122 6.108 ( 0.000 -9.600 -4.543) 10.620 6.618 ( 0.000 19.326 5.813) 20.181 6.959 ( 0.000 -9.541 -5.119) 10.828 7.428 ( 0.000 21.728 -13.187) 25.416 7.623 ( 0.000 3.604 11.788) 12.326 7.728 ( 0.000 -2.498 10.716) 11.003 7.888 ( 0.000 -23.631 -9.311) 25.400 8.336 ( 0.000 5.902 -29.941) 30.517 8.547 ( 0.000 -12.156 -20.572) 23.895 9.147 ( 0.000 2.438 -5.333) 5.864 9.151 ( 0.000 2.980 5.727) 6.456 9.694 ( 0.000 3.476 -6.631) 7.487 9.904 ( 0.000 -17.968 8.374) 19.824 10.499 ( 0.000 -0.362 -6.755) 6.765 10.567 ( 0.000 -5.382 -2.174) 5.804 10.877 ( 0.000 20.401 4.125) 20.814 11.262 ( 0.000 -15.319 1.291) 15.374 11.549 ( 0.000 6.725 -2.526) 7.183 11.660 ( 0.000 -6.565 -0.184) 6.568 12.042 ( 0.000 9.043 16.213) 18.564 12.253 ( 0.000 -11.015 11.108) 15.643 12.897 ( 0.000 4.141 4.630) 6.212 12.981 ( 0.000 -4.318 4.062) 5.928 13.316 ( 0.000 18.803 12.955) 22.834 13.669 ( 0.000 -11.792 12.665) 17.304 13.875 ( 0.000 -3.659 -13.198) 13.696 13.909 ( 0.000 -2.624 -13.650) 13.900 14.294 ( 0.000 9.489 -1.877) 9.673 14.397 ( 0.000 4.949 -9.903) 11.070 14.400 ( 0.000 -1.585 -1.342) 2.077 14.489 ( 0.000 -3.895 -13.991) 14.523 14.823 ( 0.000 13.373 -1.221) 13.429 14.997 ( 0.000 -0.109 -1.684) 1.688 15.316 ( 0.000 7.627 -2.691) 8.088 15.495 ( 0.000 -9.095 -10.504) 13.894 15.834 ( 0.000 8.100 -8.225) 11.544 15.927 ( 0.000 -0.152 1.764) 1.771 16.342 ( 0.000 8.940 15.529) 17.918 16.648 ( 0.000 -18.658 8.682) 20.579 16.763 ( 0.000 3.623 -14.743) 15.182 16.884 ( 0.000 -6.370 -13.259) 14.709 18.054 ( 0.000 1.891 -2.547) 3.172 18.143 ( 0.000 -6.459 -9.539) 11.520 18.684 ( 0.000 6.307 -2.340) 6.727 18.811 ( 0.000 -6.248 -0.603) 6.277 19.131 ( 0.000 5.040 3.605) 6.197 19.198 ( 0.000 -1.951 -2.838) 3.444 19.618 ( 0.000 -3.408 -3.205) 4.678 19.639 ( 0.000 -5.491 4.351) 7.006 21.543 ( 0.000 2.429 7.805) 8.174 21.555 ( 0.000 1.223 5.730) 5.859 21.916 ( 0.000 20.222 12.287) 23.663 22.326 ( 0.000 -21.235 11.025) 23.927 ======================= Grid point 188 (68/144) ======================= q-point: ( 0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 6.414 29.567 19.141) 35.801 3.829 ( 9.336 5.303 13.278) 17.076 4.215 ( 6.439 4.350 19.870) 21.336 4.807 ( 8.082 -34.231 16.489) 38.845 5.362 ( 3.255 8.808 9.796) 13.570 5.451 ( -0.678 -3.443 -1.164) 3.697 5.855 ( -4.522 8.710 -9.977) 13.995 6.077 ( -3.526 -12.085 -4.918) 13.515 6.702 ( 9.042 20.666 5.905) 23.317 6.998 ( 3.545 -5.723 -8.693) 10.995 7.404 ( -2.168 16.921 -9.668) 19.608 7.616 ( -3.133 2.525 0.100) 4.025 7.733 ( 3.266 -2.045 13.827) 14.354 7.938 ( 2.884 -16.009 -3.334) 16.605 8.251 ( -5.663 10.013 -21.241) 24.156 8.505 ( -3.760 -12.262 -16.558) 20.945 9.154 ( 1.235 4.378 -1.426) 4.767 9.238 ( 6.609 -2.397 -1.155) 7.124 9.658 ( -2.945 5.089 -2.192) 6.275 9.896 ( -0.106 -18.746 10.957) 21.714 10.408 ( -8.066 -0.089 -6.967) 10.659 10.472 ( -6.264 -6.699 -4.455) 10.196 10.895 ( 0.620 16.678 0.473) 16.696 11.219 ( -5.381 -13.661 -0.994) 14.716 11.626 ( 7.527 9.763 -2.404) 12.560 11.767 ( 9.162 -5.293 0.461) 10.591 12.121 ( 5.768 5.157 13.545) 15.599 12.260 ( -0.939 -7.880 9.509) 12.386 12.874 ( -3.419 4.809 5.818) 8.287 12.964 ( -1.414 -4.314 4.344) 6.283 13.280 ( -2.000 14.875 7.062) 16.587 13.578 ( -8.126 -13.236 1.807) 15.637 13.770 ( -4.764 5.327 -13.552) 15.321 13.891 ( -1.302 -5.913 -10.053) 11.735 14.301 ( 1.165 8.654 -1.293) 8.827 14.396 ( 1.785 -1.102 -1.425) 2.536 14.569 ( 10.920 4.555 -11.336) 16.386 14.652 ( 13.052 -1.482 -3.926) 13.710 14.829 ( 0.052 8.100 -2.025) 8.350 14.979 ( -2.373 -3.570 2.248) 4.840 15.288 ( 0.135 8.601 -7.683) 11.533 15.475 ( -2.024 -9.097 -7.959) 12.255 15.877 ( 3.695 10.979 -5.004) 12.619 16.016 ( 8.018 -1.525 1.212) 8.251 16.370 ( 3.027 8.465 16.028) 18.377 16.559 ( -10.851 -3.728 -3.807) 12.089 16.766 ( 2.364 -7.264 -2.386) 8.003 16.824 ( -3.549 -9.938 -7.943) 13.208 18.090 ( 1.122 1.391 -8.826) 9.005 18.124 ( -1.978 -1.786 -9.349) 9.721 18.659 ( -5.809 0.421 -0.331) 5.834 18.702 ( -1.676 -3.792 5.007) 6.501 19.197 ( 3.340 5.734 5.890) 8.872 19.277 ( 6.182 -1.549 0.467) 6.390 19.591 ( -4.941 -3.951 4.186) 7.586 19.626 ( 0.323 -6.622 -4.869) 8.226 21.556 ( 1.118 2.640 5.041) 5.799 21.568 ( 1.707 1.386 4.816) 5.294 21.913 ( -0.245 20.308 9.406) 22.382 22.324 ( -0.300 -21.140 7.399) 22.399 ======================= Grid point 189 (69/144) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 15.774 20.711 18.329) 31.839 3.999 ( 8.252 -11.562 11.258) 18.125 4.395 ( 10.884 19.583 25.581) 34.005 4.946 ( 4.711 -26.416 22.178) 34.812 5.394 ( -0.350 4.064 -7.869) 8.863 5.478 ( 4.111 -1.171 -0.763) 4.342 5.774 ( -3.297 2.399 -12.099) 12.768 5.994 ( -4.072 -13.926 -5.779) 15.618 6.908 ( 8.520 15.522 -1.193) 17.747 7.052 ( 0.466 1.463 -15.094) 15.172 7.350 ( -3.536 11.768 -7.292) 14.288 7.530 ( -4.337 -1.883 -6.769) 8.257 7.837 ( 8.672 3.498 12.218) 15.386 7.970 ( 1.485 -5.422 1.189) 5.746 8.203 ( -0.132 14.083 -7.671) 16.037 8.481 ( 3.866 -8.945 -2.610) 10.088 9.158 ( -1.051 4.817 1.347) 5.111 9.320 ( -0.192 -9.610 2.569) 9.950 9.668 ( 6.398 7.896 -0.351) 10.169 9.924 ( 2.894 -17.646 7.065) 19.227 10.283 ( -2.415 1.992 -7.930) 8.526 10.405 ( -0.775 -11.154 -4.240) 11.958 10.878 ( -2.330 9.093 -5.139) 10.701 11.062 ( -10.218 -8.380 -3.804) 13.751 11.768 ( 5.665 13.153 -2.528) 14.543 11.920 ( 3.650 -0.624 -1.429) 3.969 12.136 ( -7.596 -2.692 7.385) 10.931 12.164 ( -7.231 -4.446 5.376) 10.048 12.784 ( -4.881 7.720 -1.352) 9.233 12.907 ( -2.355 -3.191 -3.253) 5.129 13.314 ( 5.163 7.982 6.054) 11.271 13.502 ( 1.294 -10.334 -4.238) 11.244 13.753 ( 3.225 6.949 -7.886) 10.995 13.901 ( 2.358 -6.589 -4.177) 8.150 14.296 ( -2.876 10.857 -1.939) 11.397 14.431 ( 1.405 -1.321 -4.240) 4.658 14.666 ( -2.884 3.228 -3.965) 5.870 14.802 ( 1.896 11.542 -1.124) 11.751 14.859 ( -2.773 -14.788 0.659) 15.060 14.974 ( 7.686 -4.257 4.536) 9.888 15.385 ( 8.725 5.378 -6.831) 12.317 15.475 ( 4.275 -2.613 -7.293) 8.848 15.917 ( -0.522 15.997 -2.108) 16.144 16.189 ( 7.223 -7.983 -2.913) 11.153 16.312 ( -10.924 4.213 -4.966) 12.718 16.423 ( 1.276 -3.795 6.722) 7.824 16.781 ( 7.830 2.701 6.123) 10.300 16.960 ( 12.947 -11.785 8.606) 19.508 17.961 ( -10.263 4.520 -13.585) 17.615 18.100 ( -5.668 -8.269 -10.718) 14.676 18.591 ( 2.591 7.433 9.677) 12.474 18.760 ( 4.108 -9.420 4.022) 11.036 19.217 ( -1.771 6.913 12.073) 14.024 19.347 ( 0.005 -1.486 4.513) 4.752 19.458 ( -8.486 -0.982 4.383) 9.601 19.606 ( -2.748 -10.905 -2.740) 11.575 21.587 ( 2.353 4.513 -0.134) 5.092 21.626 ( 4.305 0.394 0.055) 4.324 21.909 ( -0.183 19.805 2.533) 19.967 22.308 ( -1.505 -20.157 -0.606) 20.222 ======================= Grid point 190 (70/144) ======================= q-point: ( 0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( 20.518 8.508 15.848) 27.286 4.159 ( 8.735 -9.113 9.823) 15.995 4.568 ( 5.871 17.826 25.199) 31.420 4.967 ( -1.868 -17.220 20.133) 26.558 5.393 ( 0.894 5.183 -9.981) 11.282 5.570 ( 4.955 -1.080 -1.220) 5.216 5.734 ( -1.063 -3.742 -9.608) 10.365 5.946 ( -1.174 -13.554 -7.391) 15.483 6.925 ( -4.477 8.876 -8.126) 12.840 6.985 ( -6.613 2.752 -13.186) 15.006 7.260 ( -6.409 9.942 -4.680) 12.721 7.444 ( -6.714 -7.623 -7.300) 12.509 8.029 ( 6.593 6.351 3.670) 9.863 8.121 ( 15.444 -2.872 -0.749) 15.726 8.248 ( 8.322 22.899 5.822) 25.050 8.644 ( 9.724 -9.474 0.949) 13.609 9.124 ( -1.608 6.685 4.789) 8.379 9.299 ( 1.773 -7.695 12.571) 14.846 9.844 ( 8.544 4.190 -7.621) 12.192 9.983 ( 2.883 -8.106 -6.860) 11.003 10.337 ( 6.472 -1.685 -2.088) 7.006 10.428 ( 2.045 -9.873 4.378) 10.992 10.808 ( -4.966 2.097 -12.175) 13.315 10.882 ( -6.173 -5.749 -9.820) 12.946 11.730 ( -14.122 7.700 -7.714) 17.839 11.848 ( -2.220 13.816 0.222) 13.995 11.896 ( -16.264 -8.151 -2.793) 18.405 12.070 ( -3.659 -7.255 -1.214) 8.215 12.759 ( 3.506 13.582 -3.079) 14.361 12.934 ( 3.945 -3.393 -5.810) 7.800 13.396 ( 1.291 4.475 6.079) 7.658 13.546 ( 1.293 -9.142 -2.548) 9.578 13.876 ( 7.777 4.991 -6.012) 11.025 13.970 ( 4.482 -5.204 2.956) 7.477 14.197 ( -5.799 15.467 -0.242) 16.520 14.455 ( 2.038 -3.583 -5.283) 6.701 14.566 ( -5.734 -1.417 -3.119) 6.679 14.733 ( -6.434 -16.335 7.354) 19.035 14.810 ( -2.669 11.881 -1.660) 12.289 15.075 ( 1.153 -10.821 4.594) 11.812 15.523 ( 3.891 9.002 -1.715) 9.955 15.651 ( 11.215 -2.844 -1.383) 11.652 15.846 ( -6.550 15.748 -7.835) 18.769 16.045 ( -8.933 -1.668 -6.938) 11.433 16.418 ( 10.268 0.544 0.539) 10.297 16.546 ( 14.650 -11.916 -1.627) 18.954 17.082 ( 20.536 9.504 15.752) 27.571 17.258 ( 17.007 -5.308 11.658) 21.291 17.764 ( -8.701 1.214 -6.627) 11.004 17.923 ( -11.125 -12.084 -10.111) 19.288 18.708 ( 6.746 5.157 10.035) 13.146 18.793 ( -2.149 -4.573 3.791) 6.317 19.097 ( -10.721 5.079 12.360) 17.132 19.269 ( -7.639 -10.298 12.646) 18.009 19.315 ( -4.613 8.023 2.641) 9.624 19.519 ( -6.302 -11.219 4.891) 13.766 21.648 ( 3.896 7.157 -5.520) 9.843 21.731 ( 6.457 -0.686 -6.409) 9.123 21.904 ( -0.414 17.134 -4.499) 17.719 22.261 ( -3.515 -17.685 -8.035) 19.741 ======================= Grid point 191 (71/144) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 10.561 -0.391 10.171) 14.668 4.351 ( 17.950 -2.067 10.577) 20.936 4.598 ( -2.455 11.463 16.171) 19.974 4.887 ( -6.905 -14.615 15.260) 22.230 5.447 ( 4.870 7.923 -5.144) 10.628 5.638 ( 0.434 8.278 -3.852) 9.141 5.732 ( 1.968 -13.320 -0.290) 13.468 5.915 ( -3.026 -12.834 -5.124) 14.147 6.856 ( -2.404 5.911 -8.595) 10.705 6.895 ( 1.305 2.633 -4.786) 5.617 7.092 ( -10.634 10.571 -2.604) 15.219 7.258 ( -11.862 -4.496 -5.823) 13.958 8.187 ( 9.716 10.601 5.179) 15.284 8.332 ( 10.186 -2.287 1.221) 10.511 8.467 ( 5.263 9.323 5.911) 12.230 8.720 ( -3.073 -10.408 -0.493) 10.864 9.189 ( 11.481 13.724 -1.061) 17.924 9.489 ( 17.472 -12.420 5.131) 22.043 9.844 ( -10.567 7.697 -7.011) 14.835 10.022 ( -0.721 -9.429 -6.816) 11.657 10.441 ( 2.044 1.249 2.300) 3.320 10.500 ( 9.225 -3.502 -9.110) 13.430 10.689 ( -7.296 4.091 -18.844) 20.617 10.854 ( -0.693 -11.967 -13.920) 18.370 11.517 ( -3.637 6.500 -6.528) 9.904 11.643 ( -6.259 -5.061 -3.315) 8.705 11.775 ( -6.432 12.751 -2.009) 14.422 11.931 ( -10.812 -2.623 0.031) 11.126 12.883 ( 8.018 13.561 -0.184) 15.755 13.028 ( 5.270 1.935 -2.605) 6.189 13.335 ( -5.751 -0.901 4.106) 7.124 13.506 ( -6.149 -11.459 -1.738) 13.121 14.001 ( 5.547 6.531 -2.715) 8.988 14.064 ( 5.150 -2.843 3.433) 6.811 14.129 ( -1.243 12.526 -1.316) 12.656 14.428 ( -8.657 -9.062 -2.177) 12.720 14.551 ( 5.727 -0.689 -4.306) 7.198 14.665 ( 1.899 -13.870 7.688) 15.972 14.737 ( -4.334 10.473 -0.514) 11.346 15.020 ( -6.679 -16.167 2.954) 17.740 15.550 ( 0.832 17.484 2.882) 17.739 15.702 ( -7.168 14.105 -6.709) 17.186 15.820 ( 5.996 -9.008 4.482) 11.712 15.945 ( -2.862 -6.327 -2.882) 7.518 16.682 ( 16.553 9.865 -2.762) 19.466 16.883 ( 17.186 -5.272 -8.577) 19.917 17.336 ( -2.362 5.540 -1.515) 6.210 17.530 ( 6.141 -5.846 5.993) 10.383 17.752 ( 5.120 -5.955 2.759) 8.324 17.826 ( 16.425 -7.448 12.443) 21.910 18.582 ( -17.868 3.600 8.323) 20.037 18.682 ( -16.769 -5.336 13.140) 21.962 18.993 ( 5.668 7.315 9.922) 13.567 19.168 ( -1.740 -9.847 8.982) 13.442 19.245 ( -3.243 3.815 7.223) 8.789 19.369 ( -9.037 -8.019 9.429) 15.325 21.729 ( 4.354 10.329 -9.381) 14.617 21.838 ( 1.776 10.741 -10.442) 15.085 21.916 ( 4.194 -0.124 -9.916) 10.768 22.173 ( -5.737 -14.196 -12.290) 19.634 ======================= Grid point 192 (72/144) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.490 ( -7.202 7.665 8.445) 13.489 4.490 ( 7.202 7.665 8.445) 13.489 4.684 ( -14.167 -11.555 12.823) 22.331 4.684 ( 14.167 -11.555 12.823) 22.331 5.564 ( -6.476 9.815 -4.505) 12.592 5.564 ( 6.476 9.815 -4.505) 12.592 5.823 ( -5.963 -14.534 1.433) 15.775 5.823 ( 5.963 -14.534 1.433) 15.775 6.900 ( -7.232 10.067 -4.303) 13.121 6.900 ( 7.232 10.067 -4.303) 13.121 7.030 ( -10.717 -1.427 -3.912) 11.498 7.030 ( 10.717 -1.427 -3.912) 11.498 8.372 ( -8.166 10.924 8.742) 16.200 8.372 ( 8.166 10.924 8.742) 16.200 8.572 ( -10.202 -9.001 -0.186) 13.607 8.572 ( 10.202 -9.001 -0.186) 13.607 9.523 ( -19.838 13.378 -5.717) 24.600 9.523 ( 19.838 13.378 -5.717) 24.600 9.852 ( -16.612 -18.105 -4.845) 25.045 9.852 ( 16.612 -18.105 -4.845) 25.045 10.523 ( -6.494 10.298 -10.811) 16.282 10.523 ( 6.494 10.298 -10.811) 16.282 10.731 ( -10.740 -10.309 -16.902) 22.523 10.731 ( 10.740 -10.309 -16.902) 22.523 11.606 ( -9.861 8.792 -2.338) 13.417 11.606 ( 9.861 8.792 -2.338) 13.417 11.706 ( -10.321 -1.077 1.464) 10.480 11.706 ( 10.321 -1.077 1.464) 10.480 13.030 ( -6.260 15.502 2.243) 16.868 13.030 ( 6.260 15.502 2.243) 16.868 13.344 ( -8.101 -15.249 -1.192) 17.308 13.344 ( 8.101 -15.249 -1.192) 17.308 14.077 ( -2.285 9.583 -0.567) 9.868 14.077 ( 2.285 9.583 -0.567) 9.868 14.236 ( -10.101 -5.992 -0.189) 11.746 14.236 ( 10.101 -5.992 -0.189) 11.746 14.635 ( -4.485 4.773 -1.589) 6.740 14.635 ( 4.485 4.773 -1.589) 6.740 14.839 ( -11.171 -15.745 3.576) 19.634 14.839 ( 11.171 -15.745 3.576) 19.634 15.595 ( -3.980 17.596 -0.160) 18.041 15.595 ( 3.980 17.596 -0.160) 18.041 15.897 ( -2.708 -10.448 2.479) 11.074 15.897 ( 2.708 -10.448 2.479) 11.074 16.976 ( -10.968 17.633 -7.524) 22.087 16.976 ( 10.968 17.633 -7.524) 22.087 17.363 ( -11.630 -20.202 -5.593) 23.972 17.363 ( 11.630 -20.202 -5.593) 23.972 18.136 ( -19.519 6.137 13.691) 24.619 18.136 ( 19.519 6.137 13.691) 24.619 18.273 ( -18.857 -6.649 15.656) 25.395 18.273 ( 18.857 -6.649 15.656) 25.395 19.144 ( -5.723 1.121 8.414) 10.238 19.144 ( 5.723 1.121 8.414) 10.238 19.214 ( -3.465 -5.280 9.167) 11.132 19.214 ( 3.465 -5.280 9.167) 11.132 21.805 ( -3.380 13.794 -10.887) 17.895 21.805 ( 3.380 13.794 -10.887) 17.895 22.046 ( -7.328 -10.287 -13.062) 18.169 22.046 ( 7.328 -10.287 -13.062) 18.169 ======================= Grid point 231 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 0.000 0.000 46.388) 46.388 3.021 ( 0.000 0.000 41.652) 41.652 5.010 ( 0.000 0.000 1.668) 1.668 5.259 ( 0.000 0.000 50.018) 50.018 5.323 ( 0.000 0.000 -16.870) 16.870 5.622 ( 0.000 0.000 -16.152) 16.152 5.651 ( 0.000 0.000 -5.500) 5.500 6.143 ( 0.000 0.000 -24.831) 24.831 6.426 ( 0.000 0.000 5.405) 5.405 6.630 ( 0.000 0.000 10.658) 10.658 6.834 ( 0.000 0.000 8.644) 8.644 7.084 ( 0.000 0.000 1.435) 1.435 7.924 ( 0.000 0.000 2.604) 2.604 8.353 ( 0.000 0.000 -0.594) 0.594 8.523 ( 0.000 0.000 -16.943) 16.943 8.785 ( 0.000 0.000 -18.844) 18.844 8.903 ( 0.000 0.000 13.651) 13.651 8.978 ( 0.000 0.000 -3.307) 3.307 9.749 ( 0.000 0.000 -16.572) 16.572 9.843 ( 0.000 0.000 -4.420) 4.420 10.637 ( 0.000 0.000 -27.277) 27.277 10.958 ( 0.000 0.000 -4.349) 4.349 11.074 ( 0.000 0.000 12.006) 12.006 11.147 ( 0.000 0.000 -2.877) 2.877 11.689 ( 0.000 0.000 24.840) 24.840 12.195 ( 0.000 0.000 -4.266) 4.266 12.210 ( 0.000 0.000 -5.281) 5.281 12.478 ( 0.000 0.000 -0.178) 0.178 12.902 ( 0.000 0.000 2.507) 2.507 12.911 ( 0.000 0.000 8.203) 8.203 13.038 ( 0.000 0.000 13.406) 13.406 13.318 ( 0.000 0.000 -10.277) 10.277 13.685 ( 0.000 0.000 -8.823) 8.823 13.905 ( 0.000 0.000 -4.201) 4.201 13.913 ( 0.000 0.000 -2.869) 2.869 14.061 ( 0.000 0.000 -7.850) 7.850 14.087 ( 0.000 0.000 1.177) 1.177 14.365 ( 0.000 0.000 13.682) 13.682 14.502 ( 0.000 0.000 -9.288) 9.288 14.847 ( 0.000 0.000 9.035) 9.035 14.874 ( 0.000 0.000 12.541) 12.541 15.473 ( 0.000 0.000 -10.397) 10.397 15.768 ( 0.000 0.000 -11.619) 11.619 16.120 ( 0.000 0.000 22.112) 22.112 16.248 ( 0.000 0.000 -19.756) 19.756 16.447 ( 0.000 0.000 12.218) 12.218 16.805 ( 0.000 0.000 -5.014) 5.014 16.878 ( 0.000 0.000 -23.380) 23.380 17.985 ( 0.000 0.000 -17.461) 17.461 18.592 ( 0.000 0.000 -3.606) 3.606 18.759 ( 0.000 0.000 -0.508) 0.508 18.818 ( 0.000 0.000 -19.486) 19.486 18.972 ( 0.000 0.000 16.191) 16.191 19.338 ( 0.000 0.000 11.217) 11.217 19.895 ( 0.000 0.000 -1.200) 1.200 20.100 ( 0.000 0.000 -2.832) 2.832 21.364 ( 0.000 0.000 13.014) 13.014 21.475 ( 0.000 0.000 5.078) 5.078 21.717 ( 0.000 0.000 20.299) 20.299 23.232 ( 0.000 0.000 -13.143) 13.143 ======================= Grid point 232 (74/144) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 14.371 0.000 37.252) 39.928 3.183 ( 21.005 0.000 41.295) 46.330 4.987 ( -2.991 0.000 -2.282) 3.762 5.219 ( -0.222 0.000 8.461) 8.464 5.554 ( 19.324 0.000 13.937) 23.826 5.619 ( 0.719 0.000 -7.559) 7.593 5.670 ( 0.806 0.000 -9.667) 9.701 6.195 ( -0.527 0.000 -5.486) 5.511 6.341 ( 0.734 0.000 -8.427) 8.459 6.705 ( 3.026 0.000 14.087) 14.408 6.822 ( -0.748 0.000 9.228) 9.259 6.971 ( -8.629 0.000 -0.414) 8.639 7.955 ( 2.667 0.000 4.489) 5.221 8.241 ( -8.378 0.000 1.922) 8.595 8.382 ( -10.780 0.000 -3.514) 11.338 8.699 ( -9.469 0.000 -17.081) 19.530 9.026 ( 2.794 0.000 -9.744) 10.137 9.043 ( 11.720 0.000 9.165) 14.878 9.734 ( -1.086 0.000 -16.418) 16.454 9.857 ( 0.921 0.000 -4.950) 5.035 10.623 ( -0.926 0.000 -23.413) 23.431 10.808 ( -7.807 0.000 2.893) 8.326 11.056 ( 2.877 0.000 -0.577) 2.935 11.420 ( 12.283 0.000 -0.942) 12.319 11.583 ( -10.772 0.000 17.514) 20.562 12.009 ( -14.577 0.000 -12.863) 19.441 12.219 ( -3.268 0.000 0.197) 3.274 12.384 ( -8.946 0.000 3.755) 9.702 12.776 ( -11.274 0.000 10.733) 15.566 12.885 ( -4.729 0.000 -6.169) 7.773 12.984 ( -0.328 0.000 7.656) 7.663 13.439 ( 9.887 0.000 -10.106) 14.138 13.598 ( -3.635 0.000 -8.088) 8.868 13.770 ( -4.067 0.000 3.727) 5.517 13.961 ( 4.392 0.000 -3.291) 5.488 14.207 ( 7.748 0.000 -4.089) 8.761 14.229 ( 11.905 0.000 4.472) 12.717 14.585 ( 16.505 0.000 9.281) 18.935 14.656 ( 9.624 0.000 -10.834) 14.491 14.856 ( 4.179 0.000 8.975) 9.900 14.882 ( 0.927 0.000 10.067) 10.109 15.479 ( 0.912 0.000 -8.914) 8.961 15.802 ( 4.015 0.000 -9.928) 10.709 16.157 ( -8.848 0.000 -18.162) 20.203 16.226 ( 10.212 0.000 20.439) 22.848 16.526 ( 6.917 0.000 16.653) 18.032 16.773 ( -1.241 0.000 -8.233) 8.326 16.782 ( -8.601 0.000 -21.363) 23.030 18.033 ( 4.489 0.000 -14.014) 14.715 18.585 ( -0.146 0.000 -1.037) 1.047 18.751 ( -5.334 0.000 0.169) 5.336 18.853 ( 8.648 0.000 -3.661) 9.391 18.927 ( -1.827 0.000 0.605) 1.925 19.478 ( 8.277 0.000 7.289) 11.029 19.921 ( 1.372 0.000 -1.903) 2.346 20.110 ( 3.289 0.000 -0.405) 3.314 21.297 ( -6.624 0.000 11.630) 13.384 21.445 ( -3.248 0.000 4.244) 5.344 21.664 ( -5.251 0.000 17.757) 18.517 23.128 ( -10.325 0.000 -13.617) 17.089 ======================= Grid point 233 (75/144) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.515 ( 20.205 0.000 25.645) 32.648 3.651 ( 25.629 0.000 31.978) 40.981 4.872 ( -9.286 0.000 -10.059) 13.690 5.248 ( 2.730 0.000 -5.119) 5.801 5.637 ( -1.141 0.000 -3.618) 3.794 5.695 ( 4.571 0.000 -2.135) 5.046 5.842 ( -1.004 0.000 -8.065) 8.128 6.217 ( 14.802 0.000 19.237) 24.272 6.485 ( 2.905 0.000 -0.659) 2.979 6.661 ( 0.950 0.000 -6.343) 6.414 6.823 ( 1.072 0.000 10.760) 10.813 6.967 ( 10.545 0.000 13.094) 16.812 7.982 ( -1.651 0.000 15.773) 15.860 8.145 ( 0.722 0.000 -5.310) 5.359 8.206 ( -6.702 0.000 7.527) 10.079 8.453 ( -14.511 0.000 -11.447) 18.482 9.040 ( -1.353 0.000 -11.736) 11.814 9.276 ( 11.682 0.000 2.469) 11.940 9.743 ( 2.893 0.000 -15.446) 15.714 9.851 ( -2.172 0.000 -4.807) 5.275 10.623 ( 1.086 0.000 -14.858) 14.897 10.686 ( -7.532 0.000 3.733) 8.406 11.095 ( -1.044 0.000 -2.764) 2.954 11.322 ( -14.802 0.000 5.862) 15.920 11.527 ( 1.580 0.000 -1.797) 2.392 11.667 ( -19.305 0.000 -12.488) 22.992 12.069 ( -24.033 0.000 -6.266) 24.837 12.137 ( -3.595 0.000 -3.841) 5.261 12.578 ( -8.994 0.000 11.758) 14.803 12.834 ( 3.214 0.000 -1.893) 3.730 13.087 ( 9.288 0.000 -1.720) 9.446 13.624 ( 2.882 0.000 -1.904) 3.455 13.635 ( 9.169 0.000 -9.107) 12.923 13.762 ( 3.100 0.000 4.402) 5.384 14.040 ( 2.185 0.000 -3.581) 4.195 14.313 ( 3.880 0.000 -3.677) 5.346 14.388 ( 0.852 0.000 6.509) 6.565 14.714 ( 3.500 0.000 -3.618) 5.034 14.796 ( -0.793 0.000 -4.589) 4.657 14.986 ( 15.338 0.000 18.572) 24.086 15.056 ( 8.791 0.000 -1.699) 8.954 15.559 ( 9.858 0.000 -3.142) 10.346 15.911 ( 5.712 0.000 -6.594) 8.724 15.938 ( -12.643 0.000 -16.718) 20.961 16.385 ( -0.950 0.000 -4.251) 4.356 16.663 ( 6.477 0.000 26.504) 27.284 16.709 ( 9.441 0.000 5.809) 11.085 16.865 ( 12.260 0.000 -13.085) 17.931 18.132 ( 5.250 0.000 -8.494) 9.986 18.596 ( 1.415 0.000 2.488) 2.862 18.693 ( 0.224 0.000 13.962) 13.964 18.903 ( -1.303 0.000 -10.330) 10.412 19.044 ( 10.159 0.000 -4.672) 11.182 19.493 ( -6.404 0.000 3.224) 7.170 19.962 ( 3.423 0.000 2.422) 4.193 20.240 ( 7.579 0.000 4.136) 8.634 21.130 ( -10.262 0.000 7.828) 12.907 21.349 ( -6.606 0.000 1.049) 6.688 21.545 ( -5.971 0.000 8.742) 10.586 22.866 ( -16.202 0.000 -15.854) 22.669 ======================= Grid point 234 (76/144) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 14.294 0.000 9.216) 17.007 4.126 ( 23.942 0.000 21.791) 32.373 4.642 ( -14.005 0.000 -14.117) 19.886 5.299 ( 1.614 0.000 -9.253) 9.393 5.627 ( 2.322 0.000 1.978) 3.050 5.698 ( -8.190 0.000 -4.268) 9.235 5.828 ( 7.973 0.000 4.186) 9.006 6.252 ( -11.202 0.000 1.345) 11.282 6.520 ( 2.442 0.000 5.135) 5.687 6.819 ( 6.301 0.000 -17.541) 18.638 6.862 ( 3.237 0.000 14.538) 14.894 7.465 ( 39.683 0.000 23.350) 46.043 7.874 ( -9.552 0.000 20.432) 22.554 8.119 ( -2.911 0.000 5.458) 6.186 8.263 ( -1.949 0.000 1.697) 2.584 8.277 ( 12.201 0.000 -7.839) 14.502 8.995 ( -2.571 0.000 -9.868) 10.197 9.460 ( 6.002 0.000 -8.485) 10.393 9.772 ( -4.729 0.000 0.553) 4.761 9.857 ( 8.727 0.000 -8.783) 12.382 10.451 ( -16.615 0.000 0.887) 16.639 10.620 ( -4.111 0.000 -8.478) 9.422 10.905 ( -18.988 0.000 -16.730) 25.307 11.090 ( -7.375 0.000 -2.661) 7.841 11.379 ( -10.327 0.000 -0.587) 10.344 11.593 ( -22.235 0.000 -13.509) 26.017 11.599 ( 6.648 0.000 1.404) 6.795 12.127 ( 3.538 0.000 -6.735) 7.608 12.407 ( -9.624 0.000 12.566) 15.828 12.984 ( 10.884 0.000 3.875) 11.553 13.224 ( 0.999 0.000 -6.450) 6.527 13.662 ( 1.250 0.000 -1.208) 1.739 13.701 ( -3.647 0.000 -6.105) 7.111 13.823 ( 1.798 0.000 6.195) 6.451 14.010 ( -2.461 0.000 -6.357) 6.816 14.389 ( 3.978 0.000 0.853) 4.068 14.406 ( 5.302 0.000 -2.953) 6.069 14.691 ( -5.805 0.000 -12.277) 13.581 14.811 ( 3.191 0.000 -4.816) 5.778 15.117 ( 0.945 0.000 -2.250) 2.440 15.314 ( 15.019 0.000 15.720) 21.741 15.712 ( -10.262 0.000 -11.351) 15.302 15.861 ( 18.880 0.000 1.942) 18.979 15.930 ( -4.236 0.000 -10.428) 11.255 16.295 ( -2.992 0.000 -3.328) 4.475 16.766 ( 3.476 0.000 22.497) 22.764 17.088 ( 24.788 0.000 16.704) 29.891 17.201 ( 21.411 0.000 -5.059) 22.001 18.210 ( 2.106 0.000 -4.840) 5.278 18.646 ( 4.249 0.000 7.117) 8.289 18.722 ( -2.957 0.000 13.676) 13.992 18.878 ( 2.844 0.000 -11.637) 11.979 19.195 ( 4.353 0.000 1.187) 4.512 19.372 ( -2.385 0.000 6.356) 6.788 19.993 ( -1.463 0.000 5.596) 5.784 20.295 ( -3.573 0.000 15.057) 15.475 20.938 ( -8.726 0.000 0.502) 8.741 21.201 ( -8.633 0.000 -3.936) 9.488 21.498 ( 2.471 0.000 -7.364) 7.768 22.536 ( -17.755 0.000 -19.703) 26.523 ======================= Grid point 235 (77/144) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.047 ( 6.298 0.000 -5.325) 8.248 4.373 ( -13.084 0.000 -14.439) 19.485 4.570 ( 22.376 0.000 10.255) 24.614 5.242 ( -9.138 0.000 -8.917) 12.768 5.629 ( 2.256 0.000 0.049) 2.257 5.750 ( 9.362 0.000 7.574) 12.042 5.948 ( 3.113 0.000 4.448) 5.429 6.002 ( -13.826 0.000 2.550) 14.059 6.547 ( 2.468 0.000 -1.849) 3.084 6.800 ( -6.848 0.000 -14.190) 15.756 6.979 ( 10.065 0.000 20.472) 22.812 7.613 ( -17.210 0.000 21.972) 27.910 8.131 ( 10.287 0.000 6.149) 11.985 8.170 ( 13.512 0.000 19.404) 23.645 8.420 ( 24.041 0.000 -2.912) 24.216 8.590 ( 19.772 0.000 -7.242) 21.056 8.969 ( -0.024 0.000 -3.684) 3.684 9.369 ( -15.177 0.000 -8.957) 17.624 9.817 ( 9.993 0.000 -4.850) 11.108 9.974 ( -3.457 0.000 14.982) 15.376 10.167 ( -8.610 0.000 -23.270) 24.812 10.405 ( -16.628 0.000 -11.030) 19.953 10.555 ( -9.129 0.000 -18.763) 20.866 11.067 ( 3.268 0.000 -5.326) 6.249 11.141 ( -16.762 0.000 -0.133) 16.762 11.288 ( -9.987 0.000 -10.354) 14.386 11.759 ( 9.392 0.000 6.268) 11.292 12.189 ( -11.815 0.000 14.334) 18.575 12.297 ( 12.800 0.000 -3.427) 13.251 13.007 ( -20.240 0.000 1.054) 20.267 13.212 ( 12.374 0.000 4.665) 13.224 13.620 ( -6.624 0.000 1.623) 6.820 13.696 ( 5.188 0.000 -13.377) 14.348 13.892 ( 7.301 0.000 3.293) 8.009 13.960 ( -4.612 0.000 -14.089) 14.825 14.335 ( -11.637 0.000 0.595) 11.652 14.526 ( 8.801 0.000 -0.940) 8.852 14.790 ( 14.745 0.000 -17.980) 23.252 14.795 ( -4.043 0.000 -7.543) 8.558 15.181 ( 6.010 0.000 -1.832) 6.283 15.394 ( -8.814 0.000 -7.070) 11.299 15.521 ( -9.928 0.000 -10.589) 14.515 15.929 ( 7.872 0.000 5.541) 9.627 16.233 ( 18.966 0.000 11.651) 22.259 16.248 ( -3.852 0.000 7.689) 8.600 16.753 ( -5.463 0.000 20.391) 21.110 17.568 ( 24.025 0.000 11.829) 26.779 17.639 ( 23.488 0.000 -2.934) 23.671 18.177 ( -6.191 0.000 -1.146) 6.296 18.476 ( -18.666 0.000 -2.891) 18.889 18.776 ( 9.392 0.000 12.098) 15.316 19.100 ( 16.804 0.000 5.452) 17.666 19.178 ( -6.279 0.000 10.903) 12.581 19.436 ( 6.800 0.000 5.834) 8.960 19.892 ( -8.167 0.000 11.865) 14.405 20.111 ( -13.800 0.000 21.285) 25.367 20.837 ( -1.191 0.000 -8.490) 8.573 21.032 ( -8.660 0.000 -9.158) 12.604 21.641 ( 11.418 0.000 -19.133) 22.281 22.203 ( -16.800 0.000 -22.923) 28.420 ======================= Grid point 236 (78/144) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -7.941 0.000 -12.181) 14.541 4.170 ( 7.941 0.000 -12.181) 14.541 4.967 ( -18.455 0.000 -1.130) 18.490 4.967 ( 18.455 0.000 -1.130) 18.490 5.760 ( -10.531 0.000 2.106) 10.740 5.760 ( 10.531 0.000 2.106) 10.740 5.916 ( -6.277 0.000 6.295) 8.890 5.916 ( 6.277 0.000 6.295) 8.890 6.645 ( -7.559 0.000 -7.996) 11.003 6.645 ( 7.559 0.000 -7.996) 11.003 7.259 ( -18.199 0.000 23.063) 29.379 7.259 ( 18.199 0.000 23.063) 29.379 8.241 ( -2.947 0.000 9.834) 10.266 8.241 ( 2.947 0.000 9.834) 10.266 8.881 ( -14.388 0.000 -1.273) 14.444 8.881 ( 14.388 0.000 -1.273) 14.444 8.998 ( -21.750 0.000 -6.667) 22.749 8.998 ( 21.750 0.000 -6.667) 22.749 9.950 ( -9.056 0.000 -7.700) 11.887 9.950 ( 9.056 0.000 -7.700) 11.887 10.076 ( -16.193 0.000 -12.071) 20.197 10.076 ( 16.193 0.000 -12.071) 20.197 10.751 ( -21.313 0.000 -6.777) 22.365 10.751 ( 21.313 0.000 -6.777) 22.365 11.154 ( -5.327 0.000 -6.392) 8.321 11.154 ( 5.327 0.000 -6.392) 8.321 11.956 ( -11.434 0.000 11.989) 16.568 11.956 ( 11.434 0.000 11.989) 16.568 12.614 ( -19.208 0.000 0.510) 19.215 12.614 ( 19.208 0.000 0.510) 19.215 13.441 ( -11.182 0.000 3.751) 11.794 13.441 ( 11.182 0.000 3.751) 11.794 13.833 ( -7.831 0.000 -16.107) 17.910 13.833 ( 7.831 0.000 -16.107) 17.910 14.090 ( -12.512 0.000 0.704) 12.532 14.090 ( 12.512 0.000 0.704) 12.532 14.685 ( -7.242 0.000 -4.473) 8.512 14.685 ( 7.242 0.000 -4.473) 8.512 15.114 ( -17.429 0.000 -16.380) 23.918 15.114 ( 17.429 0.000 -16.380) 23.918 15.333 ( -9.350 0.000 -6.319) 11.286 15.333 ( 9.350 0.000 -6.319) 11.286 16.120 ( -9.343 0.000 11.531) 14.841 16.120 ( 9.343 0.000 11.531) 14.841 16.559 ( -14.317 0.000 17.245) 22.413 16.559 ( 14.317 0.000 17.245) 22.413 17.962 ( -16.304 0.000 4.747) 16.981 17.962 ( 16.304 0.000 4.747) 16.981 18.079 ( -22.191 0.000 -3.405) 22.450 18.079 ( 22.191 0.000 -3.405) 22.450 18.989 ( -11.902 0.000 14.955) 19.112 18.989 ( 11.902 0.000 14.955) 19.112 19.421 ( -12.901 0.000 3.879) 13.472 19.421 ( 12.901 0.000 3.879) 13.472 19.858 ( -9.223 0.000 20.712) 22.673 19.858 ( 9.223 0.000 20.712) 22.673 20.887 ( -5.819 0.000 -11.933) 13.276 20.887 ( 5.819 0.000 -11.933) 13.276 21.898 ( -14.929 0.000 -23.215) 27.601 21.898 ( 14.929 0.000 -23.215) 27.601 ======================= Grid point 242 (79/144) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 0.000 9.632 39.127) 40.295 3.144 ( 0.000 17.925 42.378) 46.012 4.995 ( 0.000 -3.779 3.725) 5.307 5.263 ( 0.000 -3.756 -18.820) 19.191 5.437 ( 0.000 13.390 43.577) 45.587 5.599 ( 0.000 -2.426 -3.032) 3.883 5.627 ( 0.000 0.866 -7.397) 7.448 6.167 ( 0.000 0.876 -23.952) 23.968 6.478 ( 0.000 4.926 -3.072) 5.805 6.670 ( 0.000 2.022 13.143) 13.297 6.715 ( 0.000 -10.749 3.117) 11.192 7.154 ( 0.000 9.965 -2.498) 10.273 7.911 ( 0.000 -2.240 2.893) 3.659 8.335 ( 0.000 -1.784 -2.047) 2.715 8.372 ( 0.000 -11.769 -9.403) 15.064 8.700 ( 0.000 -8.000 -14.470) 16.534 8.931 ( 0.000 -3.835 -4.858) 6.189 9.090 ( 0.000 14.665 13.847) 20.169 9.591 ( 0.000 -11.488 -15.050) 18.934 9.968 ( 0.000 11.959 -4.344) 12.724 10.602 ( 0.000 -7.827 -21.318) 22.710 10.951 ( 0.000 -3.069 4.980) 5.849 11.066 ( 0.000 0.733 3.185) 3.268 11.109 ( 0.000 2.323 -5.469) 5.942 11.541 ( 0.000 -15.096 21.005) 25.867 12.113 ( 0.000 -9.297 -4.186) 10.196 12.212 ( 0.000 4.351 4.341) 6.146 12.618 ( 0.000 7.296 0.832) 7.343 12.860 ( 0.000 -6.421 -2.391) 6.851 12.970 ( 0.000 6.572 7.188) 9.740 13.074 ( 0.000 4.306 9.705) 10.617 13.402 ( 0.000 10.824 -10.959) 15.403 13.631 ( 0.000 -8.198 -4.456) 9.331 13.927 ( 0.000 6.529 -19.632) 20.689 13.960 ( 0.000 -1.464 -5.134) 5.338 14.090 ( 0.000 6.062 0.726) 6.106 14.164 ( 0.000 8.105 -0.598) 8.127 14.397 ( 0.000 -8.492 -8.284) 11.863 14.468 ( 0.000 8.635 12.766) 15.412 14.839 ( 0.000 0.230 11.072) 11.074 15.064 ( 0.000 15.297 11.765) 19.299 15.453 ( 0.000 -1.927 -8.968) 9.173 15.671 ( 0.000 -7.999 -11.337) 13.875 16.137 ( 0.000 1.408 20.059) 20.109 16.252 ( 0.000 0.663 -19.079) 19.091 16.509 ( 0.000 4.443 15.743) 16.358 16.767 ( 0.000 -3.216 -10.159) 10.655 16.926 ( 0.000 4.237 -19.308) 19.767 17.984 ( 0.000 -0.559 -16.011) 16.020 18.406 ( 0.000 -16.460 -3.511) 16.830 18.662 ( 0.000 -6.400 2.540) 6.886 18.799 ( 0.000 -1.875 -19.131) 19.223 19.043 ( 0.000 4.624 10.510) 11.482 19.354 ( 0.000 0.037 9.647) 9.647 19.841 ( 0.000 -4.903 0.341) 4.915 20.039 ( 0.000 -5.448 -0.270) 5.455 21.475 ( 0.000 10.289 11.019) 15.076 21.516 ( 0.000 3.847 5.106) 6.394 21.727 ( 0.000 1.004 18.793) 18.819 23.104 ( 0.000 -12.018 -9.767) 15.486 ======================= Grid point 243 (80/144) ======================= q-point: ( 0.10 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 14.193 8.647 36.669) 40.259 3.358 ( 19.361 16.572 36.768) 44.737 4.976 ( -2.413 -2.958 0.865) 3.914 5.208 ( -2.606 -1.052 -5.740) 6.391 5.539 ( 1.574 -6.685 6.388) 9.379 5.615 ( 0.226 -0.641 -4.172) 4.227 5.693 ( 13.251 9.770 10.916) 19.754 6.270 ( 8.787 2.020 -18.865) 20.909 6.404 ( -4.446 7.634 -2.422) 9.161 6.638 ( -4.201 -7.679 12.392) 15.172 6.761 ( 4.699 -3.683 3.812) 7.084 7.074 ( -6.179 12.075 -0.135) 13.565 7.945 ( 2.236 -2.329 3.766) 4.961 8.248 ( -7.031 -2.415 2.587) 7.871 8.303 ( -5.302 -3.774 -2.897) 7.124 8.620 ( -8.184 -6.873 -12.168) 16.195 8.937 ( 1.552 -4.145 -6.921) 8.215 9.214 ( 9.628 11.349 8.262) 17.022 9.582 ( -0.585 -10.657 -14.392) 17.918 9.981 ( 1.005 10.603 -5.171) 11.839 10.603 ( 0.668 -5.184 -18.353) 19.083 10.783 ( -10.905 -3.039 4.188) 12.070 11.064 ( 0.467 -0.153 -1.116) 1.219 11.258 ( 5.660 -6.399 -3.109) 9.091 11.510 ( -2.461 -10.100 18.767) 21.453 11.977 ( -13.004 -3.844 -10.927) 17.415 12.209 ( -2.299 3.508 -1.769) 4.553 12.537 ( -5.050 4.692 7.316) 10.052 12.830 ( -10.853 4.895 8.802) 14.806 12.894 ( -5.314 1.478 -0.425) 5.532 13.079 ( 1.040 7.911 1.710) 8.161 13.312 ( -2.323 -2.532 -14.790) 15.184 13.693 ( 4.656 -5.953 -2.955) 8.115 13.822 ( -0.443 11.673 -4.758) 12.613 14.035 ( -1.109 6.751 1.716) 7.054 14.106 ( 10.019 -3.967 -6.477) 12.573 14.244 ( 2.611 -0.629 -3.310) 4.263 14.572 ( 15.842 -3.845 -6.962) 17.726 14.686 ( 14.755 5.382 8.621) 17.916 14.886 ( 4.638 3.733 8.875) 10.687 15.035 ( -1.594 11.878 8.907) 14.932 15.484 ( 2.671 1.241 -6.635) 7.259 15.701 ( 3.569 -9.038 -9.105) 13.316 16.170 ( -8.373 1.382 -17.367) 19.329 16.215 ( 7.012 -1.111 17.179) 18.588 16.566 ( 4.881 3.669 18.369) 19.358 16.736 ( -1.060 -3.078 -13.113) 13.511 16.874 ( -3.489 7.576 -14.544) 16.766 18.006 ( 2.390 -3.156 -12.261) 12.884 18.421 ( 1.493 -14.392 -1.444) 14.541 18.717 ( -0.819 -3.470 1.550) 3.888 18.786 ( 5.544 -3.677 -9.518) 11.613 18.998 ( -2.136 4.752 2.410) 5.740 19.468 ( 6.435 -1.720 6.612) 9.386 19.868 ( 1.773 -4.998 -0.510) 5.327 20.042 ( 2.275 -6.049 2.075) 6.787 21.407 ( -6.389 9.680 9.123) 14.756 21.496 ( -2.575 5.256 4.801) 7.570 21.679 ( -4.673 1.448 16.187) 16.910 23.012 ( -9.175 -10.960 -10.751) 17.885 ======================= Grid point 244 (81/144) ======================= q-point: ( 0.20 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 20.994 8.261 26.568) 34.855 3.789 ( 23.721 13.481 28.336) 39.337 4.883 ( -7.496 -0.092 -5.275) 9.167 5.192 ( 0.855 -3.830 -4.693) 6.117 5.484 ( -5.494 -11.264 -1.253) 12.595 5.650 ( 3.686 -3.052 1.061) 4.902 5.929 ( 3.842 4.495 -5.634) 8.168 6.323 ( 0.462 5.909 -1.293) 6.066 6.496 ( 5.209 1.980 7.405) 9.268 6.591 ( 5.565 -5.620 -9.317) 12.221 6.887 ( 8.922 -1.475 8.012) 12.082 7.034 ( 6.127 15.189 11.070) 19.769 7.907 ( -7.919 -7.534 4.267) 11.733 8.163 ( -0.358 1.176 10.664) 10.735 8.253 ( 1.224 3.289 0.863) 3.614 8.428 ( -9.697 -0.530 -6.198) 11.521 8.965 ( 0.584 -4.217 -10.648) 11.467 9.391 ( 7.955 8.565 3.463) 12.192 9.602 ( 3.807 -9.018 -12.605) 15.960 9.985 ( -1.225 8.828 -4.343) 9.914 10.555 ( -13.359 -9.223 3.649) 16.639 10.641 ( 3.012 -1.021 -14.462) 14.808 11.049 ( -3.283 -4.724 -2.166) 6.146 11.277 ( -2.715 -7.423 -1.673) 8.079 11.457 ( -2.564 -3.476 8.588) 9.613 11.676 ( -16.290 2.240 -12.379) 20.582 12.073 ( -16.282 5.088 -13.915) 22.014 12.300 ( -14.405 8.811 -0.157) 16.886 12.582 ( -11.244 1.022 10.610) 15.493 12.959 ( 10.438 -7.045 1.446) 12.676 13.034 ( 0.604 13.621 2.312) 13.829 13.452 ( 9.965 -9.746 -13.041) 19.088 13.766 ( 2.556 3.817 -1.111) 4.726 13.872 ( 3.609 9.017 1.243) 9.792 14.057 ( 0.897 4.413 -3.139) 5.489 14.223 ( -1.885 -3.807 -4.964) 6.534 14.349 ( 13.254 -7.931 3.024) 15.739 14.781 ( -0.683 -2.848 -1.661) 3.367 14.798 ( 1.466 9.783 -5.557) 11.346 15.056 ( 9.492 5.260 12.894) 16.853 15.117 ( 11.110 6.483 1.084) 12.909 15.565 ( 7.299 1.149 -2.982) 7.968 15.800 ( 5.501 -12.032 -1.433) 13.307 15.965 ( -10.601 2.826 -13.452) 17.359 16.294 ( -2.186 -3.722 -2.915) 5.209 16.717 ( 10.058 1.323 17.640) 20.349 16.742 ( 5.680 0.819 -3.987) 6.988 16.952 ( 12.668 10.054 1.012) 16.204 18.071 ( 4.033 -6.283 -7.292) 10.436 18.447 ( 0.871 -13.598 -0.645) 13.641 18.695 ( 1.934 0.316 12.152) 12.309 18.951 ( 2.273 3.248 -8.731) 9.589 18.984 ( 5.715 -3.980 -4.257) 8.162 19.468 ( -5.926 -2.437 4.336) 7.736 19.904 ( 2.027 -5.725 2.985) 6.767 20.147 ( 6.411 -8.429 5.733) 12.042 21.249 ( -9.525 10.554 5.828) 15.365 21.417 ( -5.566 6.607 1.234) 8.727 21.575 ( -5.031 2.754 7.490) 9.434 22.777 ( -14.702 -8.582 -13.865) 21.955 ======================= Grid point 245 (82/144) ======================= q-point: ( 0.30 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( 14.705 9.637 11.997) 21.284 4.220 ( 20.364 8.747 17.453) 28.211 4.702 ( -10.086 5.220 -7.858) 13.810 5.241 ( 3.780 -4.742 -7.039) 9.291 5.382 ( -3.410 -14.024 5.109) 15.310 5.729 ( 2.883 -4.436 2.807) 5.990 5.912 ( -0.348 4.983 -5.927) 7.751 6.221 ( -9.619 -1.134 0.846) 9.722 6.518 ( -0.316 1.250 -1.177) 1.746 6.777 ( 6.536 -3.697 -7.955) 10.939 7.003 ( 3.674 6.655 5.026) 9.113 7.462 ( 30.991 6.042 19.018) 36.860 7.698 ( -9.442 -13.540 5.027) 17.256 8.234 ( 3.671 0.360 10.121) 10.772 8.279 ( 3.571 4.409 7.294) 9.241 8.376 ( 5.942 11.429 -2.325) 13.089 8.950 ( -1.715 -2.072 -8.739) 9.143 9.503 ( 3.187 3.660 -7.730) 9.127 9.738 ( 9.533 -4.126 -5.866) 11.929 9.929 ( -3.789 5.956 5.124) 8.722 10.289 ( -12.960 -6.984 -7.434) 16.492 10.686 ( 0.115 0.393 -9.698) 9.707 10.852 ( -18.003 -5.808 -13.428) 23.198 11.179 ( -5.403 -1.126 -1.132) 5.634 11.398 ( -11.499 3.420 0.158) 11.998 11.464 ( -5.194 -5.562 -3.703) 8.463 11.630 ( -15.340 5.098 -12.170) 20.234 12.209 ( 1.536 5.942 -4.257) 7.469 12.401 ( -8.448 0.366 10.556) 13.525 13.068 ( 2.517 -5.493 0.148) 6.044 13.194 ( 10.271 11.468 3.252) 15.735 13.585 ( 2.497 -7.532 -10.337) 13.031 13.758 ( -6.174 -1.189 2.033) 6.607 13.915 ( 3.587 12.480 -3.812) 13.533 14.005 ( -2.815 1.231 0.494) 3.111 14.252 ( 4.504 -3.385 -6.195) 8.374 14.595 ( 7.489 3.686 2.835) 8.816 14.657 ( -3.825 -5.201 -4.292) 7.753 14.867 ( 4.352 10.074 -10.667) 15.304 15.102 ( -3.372 2.406 3.809) 5.627 15.338 ( 10.224 1.670 4.814) 11.423 15.684 ( -0.814 -9.520 -13.249) 16.335 15.839 ( -0.301 8.344 2.952) 8.856 15.937 ( 7.120 -13.245 4.074) 15.579 16.196 ( -2.257 3.241 -8.051) 8.967 16.800 ( 4.194 -2.431 6.070) 7.769 17.110 ( 23.471 2.619 17.413) 29.342 17.278 ( 20.035 7.739 5.225) 22.104 18.136 ( 1.752 -7.377 -5.386) 9.301 18.480 ( 3.762 -14.878 4.771) 16.071 18.759 ( -1.980 3.634 13.959) 14.559 18.902 ( 1.082 0.836 -8.373) 8.484 19.127 ( 4.948 -4.319 -0.397) 6.580 19.359 ( -2.655 -1.633 7.399) 8.028 19.902 ( -3.057 -8.469 6.265) 10.969 20.194 ( -3.057 -9.264 13.887) 16.971 21.074 ( -7.744 12.116 -0.706) 14.397 21.289 ( -7.556 8.050 -3.569) 11.603 21.539 ( 2.220 3.620 -6.943) 8.138 22.475 ( -16.325 -5.970 -18.298) 25.238 ======================= Grid point 246 (83/144) ======================= q-point: ( 0.40 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 5.329 9.336 -1.210) 10.818 4.386 ( -6.614 1.956 -6.746) 9.648 4.713 ( 15.471 12.565 4.333) 20.397 5.217 ( -6.454 -2.166 -6.795) 9.619 5.461 ( 9.561 -13.146 6.840) 17.636 5.734 ( -1.492 -5.050 3.512) 6.329 5.953 ( 1.739 0.442 1.303) 2.218 6.031 ( -8.102 2.530 2.660) 8.895 6.535 ( 2.979 1.050 -3.534) 4.740 6.785 ( -5.321 -1.546 -10.568) 11.932 7.060 ( 4.715 4.875 15.217) 16.660 7.461 ( -10.367 -11.067 17.163) 22.902 8.070 ( 19.277 -5.015 8.595) 21.694 8.318 ( 4.663 7.187 1.318) 8.668 8.371 ( 10.126 2.463 11.107) 15.231 8.641 ( 18.735 1.692 -6.612) 19.939 8.937 ( 0.562 -0.185 -2.332) 2.406 9.422 ( -13.014 4.682 -10.660) 17.462 9.878 ( -1.995 -4.127 13.414) 14.176 9.931 ( 11.025 7.129 -6.169) 14.506 10.151 ( -2.836 0.230 -22.354) 22.534 10.509 ( -9.794 -1.626 -13.148) 16.475 10.564 ( -13.683 2.661 -12.510) 18.730 11.075 ( -17.611 -4.524 -8.368) 20.015 11.116 ( -0.372 3.420 -3.200) 4.699 11.276 ( -7.988 1.571 -5.347) 9.740 11.690 ( 9.480 -4.679 6.163) 12.237 12.147 ( -11.376 -3.913 11.945) 16.953 12.396 ( 10.337 9.565 -1.593) 14.173 12.971 ( -13.900 -2.030 1.311) 14.108 13.356 ( 7.494 12.355 4.846) 15.241 13.584 ( -0.550 -3.479 -10.237) 10.826 13.667 ( 0.199 -2.993 -0.093) 3.001 13.942 ( -5.316 1.377 -5.948) 8.095 14.039 ( 7.709 10.965 -6.282) 14.803 14.338 ( -0.473 -3.173 -0.290) 3.221 14.494 ( -0.004 0.535 -1.598) 1.685 14.835 ( 2.963 4.908 -6.713) 8.828 14.870 ( 0.826 3.521 -9.028) 9.725 15.079 ( 2.062 -4.035 -3.021) 5.446 15.450 ( 1.619 6.197 -8.127) 10.348 15.696 ( 1.095 0.722 1.077) 1.697 15.725 ( -5.364 -2.593 -6.868) 9.092 15.970 ( -3.544 -21.611 9.288) 23.788 16.383 ( 16.569 8.675 9.403) 20.933 16.824 ( -2.978 1.483 11.026) 11.517 17.561 ( 22.189 -1.052 10.929) 24.757 17.686 ( 21.969 4.782 3.511) 22.756 18.105 ( -5.335 -7.503 -2.743) 9.606 18.489 ( -16.264 -0.306 -1.043) 16.301 18.645 ( 8.761 -9.519 12.925) 18.287 19.086 ( 4.645 -2.584 7.724) 9.376 19.127 ( 2.938 -2.940 9.420) 10.296 19.404 ( 6.006 -2.875 5.254) 8.482 19.789 ( -7.571 -9.354 11.428) 16.596 20.028 ( -12.993 -7.712 19.172) 24.410 20.985 ( -1.178 13.148 -8.241) 15.562 21.142 ( -7.375 9.882 -8.487) 14.969 21.661 ( 9.910 1.751 -17.840) 20.482 22.168 ( -15.451 -3.470 -21.785) 26.932 ======================= Grid point 247 (84/144) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( -6.154 6.842 -7.474) 11.855 4.242 ( 6.154 6.842 -7.474) 11.855 5.021 ( -14.000 5.042 -2.423) 15.076 5.021 ( 14.000 5.042 -2.423) 15.076 5.640 ( -8.297 -10.251 5.003) 14.105 5.640 ( 8.297 -10.251 5.003) 14.105 5.960 ( -2.061 2.319 4.109) 5.149 5.960 ( 2.061 2.319 4.109) 5.149 6.641 ( -7.696 1.191 -7.750) 10.987 6.641 ( 7.696 1.191 -7.750) 10.987 7.234 ( -12.334 -3.843 20.087) 23.883 7.234 ( 12.334 -3.843 20.087) 23.883 8.262 ( -6.027 2.431 8.652) 10.821 8.262 ( 6.027 2.431 8.652) 10.821 8.734 ( -15.161 -8.247 -0.684) 17.273 8.734 ( 15.161 -8.247 -0.684) 17.273 9.091 ( -18.261 5.781 -8.287) 20.871 9.091 ( 18.261 5.781 -8.287) 20.871 9.952 ( -11.484 1.105 -9.323) 14.833 9.952 ( 11.484 1.105 -9.323) 14.833 10.213 ( -17.854 7.978 -10.831) 22.354 10.213 ( 17.854 7.978 -10.831) 22.354 10.711 ( -19.873 -4.209 -7.286) 21.581 10.711 ( 19.873 -4.209 -7.286) 21.581 11.162 ( -4.372 2.458 -5.257) 7.266 11.162 ( 4.372 2.458 -5.257) 7.266 11.903 ( -12.573 -4.550 11.796) 17.831 11.903 ( 12.573 -4.550 11.796) 17.831 12.660 ( -16.106 5.436 0.785) 17.016 12.660 ( 16.106 5.436 0.785) 17.016 13.495 ( -6.792 2.806 -0.151) 7.350 13.495 ( 6.792 2.806 -0.151) 7.350 13.794 ( -9.206 -0.329 -9.217) 13.031 13.794 ( 9.206 -0.329 -9.217) 13.031 14.200 ( -9.098 7.626 -2.373) 12.106 14.200 ( 9.098 7.626 -2.373) 12.106 14.658 ( -11.382 -2.160 -1.222) 11.650 14.658 ( 11.382 -2.160 -1.222) 11.650 15.039 ( -7.180 -2.430 -11.874) 14.087 15.039 ( 7.180 -2.430 -11.874) 14.087 15.528 ( -7.937 14.759 -10.795) 19.934 15.528 ( 7.937 14.759 -10.795) 19.934 15.855 ( -7.854 -20.854 11.819) 25.224 15.855 ( 7.854 -20.854 11.819) 25.224 16.674 ( -12.328 5.833 12.292) 18.360 16.674 ( 12.328 5.833 12.292) 18.360 17.913 ( -13.513 -5.936 2.603) 14.987 17.913 ( 13.513 -5.936 2.603) 14.987 18.112 ( -20.725 3.854 1.066) 21.107 18.112 ( 20.725 3.854 1.066) 21.107 18.886 ( -13.815 -8.517 15.569) 22.490 18.886 ( 13.815 -8.517 15.569) 22.490 19.389 ( -11.425 -3.282 3.851) 12.495 19.389 ( 11.425 -3.282 3.851) 12.495 19.778 ( -9.911 -7.124 18.965) 22.553 19.778 ( 9.911 -7.124 18.965) 22.553 21.023 ( -4.616 12.033 -10.993) 16.939 21.023 ( 4.616 12.033 -10.993) 16.939 21.890 ( -13.501 -0.965 -22.090) 25.907 21.890 ( 13.501 -0.965 -22.090) 25.907 ======================= Grid point 253 (85/144) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 0.000 18.041 32.967) 37.581 3.619 ( 0.000 28.202 33.282) 43.624 4.780 ( 0.000 -16.448 10.315) 19.415 5.270 ( 0.000 4.113 -18.181) 18.640 5.366 ( 0.000 -13.223 4.077) 13.838 5.682 ( 0.000 5.119 1.387) 5.303 5.779 ( 0.000 3.036 29.593) 29.749 6.120 ( 0.000 -2.421 -14.042) 14.249 6.469 ( 0.000 -6.319 -4.612) 7.823 6.587 ( 0.000 4.792 -16.573) 17.252 6.821 ( 0.000 11.004 -4.474) 11.879 7.459 ( 0.000 19.372 -7.118) 20.639 7.796 ( 0.000 -10.140 -5.714) 11.640 8.171 ( 0.000 -6.045 9.180) 10.991 8.258 ( 0.000 -6.281 8.370) 10.464 8.531 ( 0.000 -8.269 -6.901) 10.771 8.874 ( 0.000 -0.397 -9.317) 9.326 9.276 ( 0.000 -2.986 2.438) 3.855 9.509 ( 0.000 9.023 1.306) 9.117 10.246 ( 0.000 11.582 -3.677) 12.152 10.399 ( 0.000 -7.917 -12.595) 14.877 10.811 ( 0.000 -10.385 13.940) 17.383 10.961 ( 0.000 -13.523 8.077) 15.752 11.231 ( 0.000 6.514 -8.569) 10.764 11.352 ( 0.000 2.939 5.654) 6.372 11.867 ( 0.000 -14.640 -2.575) 14.864 12.325 ( 0.000 4.540 14.728) 15.412 12.634 ( 0.000 -4.531 6.606) 8.011 12.733 ( 0.000 -3.279 -18.283) 18.575 13.139 ( 0.000 -2.350 4.985) 5.511 13.177 ( 0.000 13.987 7.989) 16.108 13.459 ( 0.000 -4.209 -16.166) 16.705 13.652 ( 0.000 8.485 -5.163) 9.932 13.918 ( 0.000 3.049 -11.018) 11.432 14.082 ( 0.000 4.752 -18.388) 18.992 14.143 ( 0.000 -11.044 -1.117) 11.101 14.240 ( 0.000 6.238 -0.791) 6.288 14.423 ( 0.000 11.326 -3.565) 11.873 14.668 ( 0.000 11.148 10.040) 15.002 14.848 ( 0.000 1.382 9.414) 9.515 15.398 ( 0.000 -3.785 -6.123) 7.198 15.399 ( 0.000 13.564 14.704) 20.004 15.517 ( 0.000 -3.400 -12.055) 12.526 16.152 ( 0.000 -0.830 14.477) 14.501 16.292 ( 0.000 3.870 -17.253) 17.682 16.571 ( 0.000 2.013 18.073) 18.184 16.706 ( 0.000 -2.582 -14.639) 14.865 17.000 ( 0.000 1.533 -5.555) 5.763 17.940 ( 0.000 -3.977 -13.020) 13.613 18.047 ( 0.000 -16.945 -8.021) 18.747 18.588 ( 0.000 -0.433 -1.086) 1.170 18.750 ( 0.000 -2.823 -17.963) 18.183 19.114 ( 0.000 2.411 5.421) 5.933 19.304 ( 0.000 -4.771 7.768) 9.117 19.736 ( 0.000 -4.533 4.161) 6.153 19.914 ( 0.000 -6.747 4.222) 7.960 21.607 ( 0.000 4.845 5.682) 7.467 21.697 ( 0.000 6.600 10.284) 12.219 21.790 ( 0.000 9.845 12.335) 15.782 22.803 ( 0.000 -17.304 -3.676) 17.690 ======================= Grid point 254 (86/144) ======================= q-point: ( 0.10 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 11.098 15.798 32.396) 37.713 3.794 ( 15.933 25.620 28.589) 41.564 4.784 ( 0.355 -14.915 10.374) 18.172 5.262 ( -0.825 6.179 -15.732) 16.922 5.368 ( -0.782 -10.441 2.798) 10.838 5.609 ( -5.535 1.304 3.846) 6.865 5.839 ( 4.812 -4.067 18.671) 19.706 6.199 ( 6.028 -6.188 -9.675) 12.971 6.478 ( 1.737 -2.566 -5.037) 5.914 6.557 ( -2.407 5.723 -16.698) 17.815 6.855 ( 3.896 11.497 -5.460) 13.310 7.392 ( -4.782 17.855 -2.203) 18.615 7.829 ( 1.103 -8.159 -7.474) 11.120 8.161 ( 0.155 -1.975 17.285) 17.398 8.251 ( -0.982 -4.962 5.583) 7.534 8.501 ( -2.440 -4.608 -4.741) 7.047 8.887 ( 1.708 0.250 -10.357) 10.500 9.322 ( 4.359 -5.845 -2.657) 7.760 9.533 ( 2.281 10.574 5.637) 12.197 10.184 ( -3.580 5.227 -7.047) 9.476 10.478 ( 4.609 -2.312 -9.330) 10.660 10.648 ( -13.081 -10.418 10.591) 19.794 10.915 ( -3.629 -14.350 6.972) 16.362 11.242 ( -2.104 0.923 -7.048) 7.413 11.414 ( 5.390 4.738 6.228) 9.502 11.848 ( -2.170 -8.000 -5.827) 10.132 12.323 ( -3.149 5.250 0.225) 6.127 12.466 ( -5.264 -7.576 4.474) 10.253 12.876 ( -3.285 2.287 1.137) 4.161 13.045 ( -9.138 7.248 -0.248) 11.667 13.140 ( 0.771 2.681 -0.868) 2.922 13.441 ( -5.983 -2.093 -13.384) 14.809 13.507 ( -1.315 1.691 -4.355) 4.853 13.908 ( 4.332 -6.603 -2.564) 8.303 14.111 ( 2.478 9.561 -3.939) 10.633 14.193 ( 4.098 1.158 -7.966) 9.033 14.331 ( -1.535 10.882 -4.048) 11.712 14.533 ( 14.289 2.916 -8.230) 16.746 14.766 ( 9.108 1.570 8.290) 12.416 14.995 ( 12.645 6.181 8.497) 16.441 15.214 ( -7.496 2.579 4.057) 8.905 15.495 ( -0.588 -9.319 -7.646) 12.068 15.599 ( 7.599 11.358 2.080) 13.823 16.178 ( 2.721 -2.702 10.020) 10.729 16.221 ( -7.547 3.975 -14.461) 16.789 16.588 ( -0.486 -3.920 4.878) 6.276 16.724 ( 5.119 3.914 0.722) 6.484 17.012 ( 2.195 4.629 -3.405) 6.152 17.891 ( -2.473 -8.229 -9.373) 12.715 18.104 ( 3.126 -15.191 -8.245) 17.564 18.663 ( 4.034 -1.040 -0.592) 4.208 18.734 ( 2.639 -1.929 -10.723) 11.210 19.088 ( -1.008 4.391 1.609) 4.784 19.400 ( 5.623 -4.746 5.245) 9.036 19.748 ( 0.957 -6.109 2.986) 6.867 19.901 ( -0.348 -7.776 6.002) 9.829 21.570 ( -3.889 5.973 4.851) 8.621 21.675 ( -2.141 7.133 8.221) 11.092 21.740 ( -4.908 9.400 10.440) 14.881 22.733 ( -7.021 -16.283 -5.266) 18.498 ======================= Grid point 255 (87/144) ======================= q-point: ( 0.20 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 19.887 11.265 27.354) 35.646 4.135 ( 17.642 18.795 20.210) 32.756 4.788 ( 0.067 -8.131 10.443) 13.235 5.237 ( -2.332 9.527 -8.377) 12.899 5.297 ( -5.733 -6.541 -1.829) 8.888 5.544 ( -0.685 -7.520 5.105) 9.115 5.898 ( 0.714 -10.260 1.665) 10.419 6.263 ( -1.088 -12.491 0.575) 12.551 6.534 ( 2.899 3.070 -15.459) 16.025 6.572 ( 5.650 4.446 -10.018) 12.330 6.971 ( 7.539 9.247 -5.669) 13.210 7.365 ( 3.268 11.971 2.989) 12.764 7.781 ( -5.321 0.524 -1.853) 5.659 8.182 ( 1.771 -0.167 14.968) 15.074 8.228 ( -1.313 -3.096 8.646) 9.277 8.505 ( 4.688 5.381 0.491) 7.153 8.942 ( 3.599 2.646 -10.398) 11.317 9.440 ( 8.344 -6.896 -5.710) 12.239 9.579 ( 2.106 10.340 7.801) 13.123 10.108 ( -6.678 1.594 -3.671) 7.785 10.369 ( -9.137 -10.390 1.605) 13.929 10.586 ( 2.638 -1.643 -9.397) 9.898 10.856 ( -2.762 -14.441 3.778) 15.180 11.114 ( -10.881 -7.615 -4.863) 14.143 11.486 ( 1.245 7.157 -0.180) 7.267 11.769 ( -6.908 6.985 -5.500) 11.258 12.160 ( -14.185 -0.472 -12.775) 19.096 12.377 ( -7.685 -1.576 5.445) 9.550 12.642 ( -17.116 5.155 4.747) 18.495 12.822 ( -0.746 -1.399 -3.580) 3.915 13.266 ( 7.113 -3.150 -8.704) 11.673 13.429 ( 4.615 16.129 0.188) 16.777 13.607 ( 7.102 -13.398 -4.866) 15.926 14.073 ( 7.215 -1.703 4.960) 8.919 14.145 ( 4.341 -2.642 2.033) 5.473 14.230 ( 0.837 6.690 -6.702) 9.506 14.308 ( -0.905 16.273 -9.126) 18.679 14.695 ( 0.395 -4.341 -2.036) 4.811 14.988 ( 11.498 6.087 -4.420) 13.740 15.153 ( 4.373 1.755 5.127) 6.964 15.251 ( 9.877 4.877 2.878) 11.385 15.494 ( 1.272 -14.853 0.466) 14.915 15.660 ( -1.860 10.600 0.730) 10.787 16.043 ( -7.980 4.473 -6.449) 11.193 16.249 ( 4.141 -2.151 -1.198) 4.818 16.592 ( 1.461 -9.488 -7.256) 12.034 16.888 ( 11.800 9.993 13.270) 20.376 17.145 ( 12.282 7.763 7.336) 16.276 17.886 ( 2.163 -11.712 -4.097) 12.596 18.120 ( -1.388 -17.576 -7.629) 19.210 18.712 ( 5.149 1.445 7.109) 8.896 18.882 ( 7.133 -4.280 -4.816) 9.612 19.078 ( 0.135 8.283 -3.813) 9.119 19.417 ( -3.812 -1.920 5.426) 6.903 19.752 ( -1.024 -8.850 3.921) 9.734 19.937 ( 3.340 -12.264 7.997) 15.017 21.465 ( -6.633 9.318 2.182) 11.644 21.616 ( -6.042 13.620 1.957) 15.028 21.633 ( -3.162 2.611 4.852) 6.352 22.550 ( -11.604 -13.734 -9.511) 20.340 ======================= Grid point 256 (88/144) ======================= q-point: ( 0.30 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 17.034 10.254 17.302) 26.356 4.397 ( 8.075 5.931 9.832) 14.037 4.817 ( 4.690 7.181 12.269) 14.970 5.142 ( -4.573 -4.431 3.780) 7.405 5.251 ( 0.020 4.617 -10.547) 11.513 5.553 ( 0.493 -12.228 6.458) 13.837 5.903 ( 0.988 -6.801 -5.884) 9.047 6.174 ( -6.487 -7.753 0.493) 10.121 6.569 ( 0.705 4.114 -11.438) 12.175 6.702 ( 5.709 -1.436 -3.307) 6.753 7.090 ( 3.922 4.159 -2.331) 6.173 7.406 ( -5.246 -12.333 -6.321) 14.818 7.778 ( 10.561 20.303 8.981) 24.585 8.223 ( 2.067 -0.370 7.364) 7.657 8.293 ( 11.219 -1.130 8.098) 13.883 8.640 ( 6.567 10.938 6.596) 14.362 8.984 ( 0.030 6.278 -5.008) 8.031 9.598 ( 0.531 3.313 -6.067) 6.933 9.661 ( 13.841 -0.648 3.786) 14.364 9.941 ( -7.420 -4.533 2.668) 9.095 10.274 ( -3.480 0.765 -10.669) 11.248 10.581 ( -6.049 -8.658 -13.227) 16.927 10.712 ( -13.059 -5.887 -4.334) 14.966 10.946 ( -3.738 -16.657 -6.573) 18.294 11.435 ( -7.759 4.849 -2.401) 9.460 11.598 ( -8.219 12.016 1.079) 14.598 11.790 ( -18.623 6.565 -12.683) 23.468 12.226 ( -7.687 -4.504 4.030) 9.778 12.509 ( 2.371 10.095 2.014) 10.563 12.896 ( 5.420 -7.583 -2.965) 9.781 13.401 ( 6.572 -7.098 -10.735) 14.451 13.556 ( 7.649 15.165 3.546) 17.351 13.662 ( -3.368 -4.044 -0.165) 5.266 14.031 ( -3.232 2.714 1.642) 4.528 14.221 ( 0.382 7.668 1.543) 7.831 14.287 ( -0.732 9.577 -9.824) 13.739 14.433 ( 15.181 -7.411 2.882) 17.138 14.615 ( -5.004 -3.225 -0.873) 6.017 15.145 ( 4.642 14.500 -12.024) 19.400 15.247 ( 1.970 4.261 5.259) 7.050 15.392 ( -0.115 -20.443 2.881) 20.646 15.420 ( -2.985 10.963 3.073) 11.770 15.641 ( 0.258 -9.091 -10.590) 13.959 16.001 ( 1.790 5.499 6.659) 8.819 16.328 ( 5.677 5.962 -6.863) 10.718 16.658 ( 5.564 -9.824 -5.524) 12.569 17.172 ( 16.521 4.004 11.019) 20.258 17.450 ( 18.554 7.663 16.260) 25.833 17.937 ( 0.240 -11.857 -6.949) 13.745 18.118 ( 4.887 -20.021 5.090) 21.229 18.850 ( -0.757 4.497 11.610) 12.474 18.892 ( 3.430 -0.709 -0.648) 3.562 19.125 ( 2.319 4.846 -2.995) 6.151 19.322 ( -3.751 -1.130 8.125) 9.020 19.691 ( -5.547 -12.076 6.839) 14.946 19.959 ( -2.457 -13.952 11.691) 18.367 21.343 ( -5.336 13.153 -3.353) 14.585 21.485 ( -6.653 11.120 -3.429) 13.404 21.616 ( 1.263 3.927 -6.170) 7.422 22.309 ( -13.073 -10.489 -14.823) 22.375 ======================= Grid point 257 (89/144) ======================= q-point: ( 0.40 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.381 ( 4.090 13.168 6.265) 15.145 4.446 ( -1.002 3.869 1.611) 4.309 4.988 ( 11.057 9.730 11.421) 18.638 5.123 ( 1.523 -5.691 2.466) 6.386 5.282 ( 3.574 0.236 -5.885) 6.889 5.522 ( -4.202 -13.763 7.816) 16.376 5.946 ( 2.749 -3.020 -4.547) 6.111 6.057 ( -5.015 -2.976 -0.356) 5.842 6.605 ( 3.639 5.141 -6.651) 9.161 6.744 ( -0.698 -0.703 -2.094) 2.317 7.114 ( -1.154 0.481 3.165) 3.403 7.233 ( -9.257 -11.196 7.776) 16.478 8.088 ( 17.669 8.708 4.397) 20.183 8.333 ( 9.510 1.242 -0.745) 9.620 8.537 ( 5.611 3.262 11.896) 13.552 8.686 ( 2.936 6.644 0.217) 7.267 8.994 ( 2.792 5.647 -0.726) 6.341 9.526 ( -10.596 5.059 -12.351) 17.041 9.835 ( 0.922 -2.583 8.501) 8.932 9.991 ( 13.814 -1.274 -6.383) 15.271 10.208 ( -6.120 4.407 -17.409) 18.972 10.350 ( -4.843 -11.830 -15.412) 20.024 10.505 ( -11.522 -7.256 -8.647) 16.130 10.838 ( -10.546 -15.164 -12.765) 22.453 11.286 ( -3.202 9.286 -1.066) 9.880 11.446 ( -7.913 14.706 -2.219) 16.846 11.655 ( 3.763 0.836 3.189) 5.003 12.057 ( -10.585 -4.886 6.685) 13.439 12.637 ( 9.335 13.588 0.565) 16.496 12.956 ( -1.247 0.366 -0.490) 1.389 13.477 ( -0.095 -5.014 -11.313) 12.375 13.505 ( -6.095 -6.123 -0.300) 8.645 13.729 ( 8.815 16.564 5.092) 19.443 14.008 ( -1.952 3.961 0.506) 4.445 14.245 ( 1.516 -4.279 0.595) 4.578 14.288 ( 2.188 12.816 -4.727) 13.834 14.479 ( -1.509 -3.118 -4.626) 5.779 14.737 ( 6.557 -8.906 4.835) 12.070 15.102 ( -8.499 15.560 0.096) 17.731 15.187 ( 0.249 11.603 -12.374) 16.965 15.349 ( 1.269 -17.266 4.921) 17.998 15.492 ( -2.176 -20.393 6.668) 21.565 15.658 ( 5.676 8.345 -11.633) 15.401 15.971 ( -5.611 8.472 -4.179) 10.987 16.520 ( 12.641 5.938 1.487) 14.045 16.758 ( 3.005 -5.579 -0.115) 6.337 17.466 ( 13.488 -9.424 4.007) 16.935 17.773 ( 6.332 -4.917 6.119) 10.085 17.926 ( 8.354 -2.729 4.274) 9.773 18.326 ( 13.353 -10.744 13.336) 21.716 18.643 ( -12.333 6.537 8.198) 16.188 19.031 ( -11.383 -1.664 10.219) 15.387 19.107 ( 11.834 0.975 8.682) 14.709 19.343 ( 4.127 -2.506 3.590) 6.016 19.562 ( -6.186 -12.738 10.360) 17.546 19.829 ( -10.518 -11.913 15.135) 21.946 21.280 ( -1.106 14.986 -9.051) 17.542 21.371 ( -5.097 12.401 -8.784) 16.028 21.690 ( 6.370 0.620 -14.927) 16.241 22.065 ( -12.210 -7.026 -18.810) 23.500 ======================= Grid point 258 (90/144) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( -1.331 10.391 1.425) 10.573 4.418 ( 1.331 10.391 1.425) 10.573 5.129 ( -2.524 2.623 0.777) 3.722 5.129 ( 2.524 2.623 0.777) 3.722 5.399 ( -7.830 -9.791 6.133) 13.957 5.399 ( 7.830 -9.791 6.133) 13.957 5.990 ( -2.365 -1.034 -1.898) 3.204 5.990 ( 2.365 -1.034 -1.898) 3.204 6.695 ( -4.524 3.525 -5.928) 8.249 6.695 ( 4.524 3.526 -5.928) 8.249 7.110 ( -2.936 -6.801 12.430) 14.470 7.110 ( 2.936 -6.801 12.430) 14.470 8.359 ( -10.435 7.705 4.288) 13.662 8.359 ( 10.435 7.705 4.288) 13.662 8.646 ( -12.391 -1.056 4.538) 13.238 8.646 ( 12.391 -1.056 4.538) 13.238 9.207 ( -18.723 6.364 -8.536) 21.539 9.207 ( 18.723 6.364 -8.536) 21.539 9.952 ( -11.678 -3.378 -12.345) 17.326 9.952 ( 11.678 -3.378 -12.345) 17.326 10.263 ( -12.847 -1.776 -7.960) 15.217 10.263 ( 12.847 -1.776 -7.960) 15.217 10.558 ( -16.661 -11.010 -12.450) 23.533 10.558 ( 16.661 -11.010 -12.450) 23.533 11.321 ( -5.067 13.055 -2.499) 14.225 11.321 ( 5.067 13.055 -2.499) 14.225 11.828 ( -12.269 -2.543 8.760) 15.288 11.828 ( 12.269 -2.543 8.760) 15.288 12.829 ( -9.987 10.941 1.951) 14.942 12.829 ( 9.987 10.941 1.951) 14.942 13.462 ( -1.872 -5.656 -7.196) 9.342 13.462 ( 1.872 -5.656 -7.196) 9.342 13.898 ( -8.372 9.580 1.695) 12.835 13.898 ( 8.372 9.580 1.695) 12.835 14.288 ( -2.559 0.555 -2.763) 3.807 14.288 ( 2.559 0.555 -2.763) 3.807 14.606 ( -12.866 -2.602 2.403) 13.345 14.606 ( 12.866 -2.602 2.403) 13.345 15.141 ( -5.713 13.095 -9.616) 17.222 15.141 ( 5.713 13.095 -9.616) 17.222 15.396 ( -4.533 -23.277 8.718) 25.266 15.396 ( 4.533 -23.277 8.718) 25.266 15.821 ( -9.184 11.458 -9.505) 17.492 15.821 ( 9.184 11.458 -9.505) 17.492 16.723 ( -6.960 1.021 3.137) 7.703 16.723 ( 6.960 1.021 3.137) 7.703 17.681 ( -8.992 -17.603 -1.690) 19.839 17.681 ( 8.992 -17.603 -1.690) 19.839 18.251 ( -17.514 9.923 11.440) 23.153 18.251 ( 17.514 9.923 11.440) 23.153 18.735 ( -17.264 -5.726 16.791) 24.755 18.735 ( 17.264 -5.726 16.791) 24.755 19.310 ( -8.261 -3.620 4.141) 9.924 19.310 ( 8.261 -3.620 4.141) 9.924 19.606 ( -10.651 -9.836 15.234) 21.031 19.606 ( 10.651 -9.836 15.234) 21.031 21.296 ( -2.563 14.297 -11.032) 18.239 21.296 ( 2.563 14.297 -11.032) 18.239 21.850 ( -10.031 -3.380 -19.238) 21.958 21.850 ( 10.031 -3.380 -19.238) 21.958 ======================= Grid point 264 (91/144) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 0.000 21.333 25.375) 33.151 4.087 ( 0.000 5.258 21.893) 22.515 4.533 ( 0.000 5.044 18.989) 19.648 4.979 ( 0.000 -25.638 12.226) 28.404 5.393 ( 0.000 7.988 -5.684) 9.804 5.592 ( 0.000 -12.403 10.409) 16.191 5.831 ( 0.000 9.758 -1.454) 9.865 6.041 ( 0.000 -9.583 -3.439) 10.181 6.518 ( 0.000 7.557 -21.183) 22.491 6.622 ( 0.000 -1.858 -24.357) 24.427 7.123 ( 0.000 18.573 -16.136) 24.603 7.504 ( 0.000 -18.418 -16.771) 24.909 7.870 ( 0.000 20.210 -5.442) 20.930 8.136 ( 0.000 -6.342 14.056) 15.421 8.157 ( 0.000 3.540 27.442) 27.670 8.324 ( 0.000 -12.626 8.387) 15.157 8.951 ( 0.000 7.554 -11.225) 13.530 9.128 ( 0.000 -9.243 -7.424) 11.856 9.757 ( 0.000 14.612 9.916) 17.659 10.122 ( 0.000 -20.300 8.699) 22.086 10.395 ( 0.000 7.366 -3.010) 7.957 10.605 ( 0.000 -11.436 6.802) 13.306 10.965 ( 0.000 15.099 4.092) 15.643 11.250 ( 0.000 -7.829 -2.615) 8.254 11.478 ( 0.000 6.362 -2.009) 6.671 11.603 ( 0.000 -9.222 -3.455) 9.848 12.383 ( 0.000 3.348 15.260) 15.623 12.499 ( 0.000 -7.675 10.831) 13.274 12.777 ( 0.000 6.853 -21.282) 22.358 12.965 ( 0.000 -11.211 -10.616) 15.440 13.492 ( 0.000 16.476 4.782) 17.156 13.506 ( 0.000 5.800 -13.071) 14.300 13.637 ( 0.000 -4.960 -7.758) 9.208 13.837 ( 0.000 -16.338 -0.104) 16.339 14.121 ( 0.000 9.884 -11.134) 14.888 14.177 ( 0.000 2.033 -11.761) 11.935 14.340 ( 0.000 5.985 2.275) 6.403 14.493 ( 0.000 -5.405 5.283) 7.558 14.886 ( 0.000 9.647 4.708) 10.735 14.939 ( 0.000 5.407 -1.648) 5.653 15.305 ( 0.000 -4.876 -3.269) 5.870 15.310 ( 0.000 -7.031 1.371) 7.163 15.801 ( 0.000 17.128 3.648) 17.512 16.066 ( 0.000 -8.718 6.920) 11.131 16.410 ( 0.000 7.554 -15.558) 17.295 16.555 ( 0.000 -5.581 -12.287) 13.495 16.732 ( 0.000 7.433 16.524) 18.119 16.924 ( 0.000 -9.080 14.456) 17.071 17.833 ( 0.000 -3.774 -16.561) 16.986 17.851 ( 0.000 -3.953 -14.618) 15.143 18.627 ( 0.000 3.370 -7.965) 8.649 18.692 ( 0.000 -3.045 -14.502) 14.818 19.146 ( 0.000 1.396 3.293) 3.576 19.201 ( 0.000 -4.532 5.676) 7.263 19.702 ( 0.000 1.531 7.505) 7.659 19.784 ( 0.000 -5.993 7.213) 9.377 21.690 ( 0.000 3.200 7.353) 8.019 21.728 ( 0.000 -0.565 10.093) 10.109 22.094 ( 0.000 17.364 5.141) 18.109 22.448 ( 0.000 -18.127 1.201) 18.166 ======================= Grid point 265 (92/144) ======================= q-point: ( 0.10 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 6.278 19.335 25.733) 32.794 4.157 ( 6.000 -2.336 19.341) 20.385 4.620 ( 9.025 11.590 18.816) 23.871 5.057 ( 7.039 -21.896 9.126) 24.744 5.399 ( 0.403 7.110 -4.232) 8.284 5.588 ( -0.617 -13.055 8.462) 15.569 5.733 ( -8.863 11.480 1.609) 14.592 6.008 ( -3.144 -13.871 -2.965) 14.529 6.549 ( 3.093 5.938 -23.372) 24.313 6.617 ( -0.104 -0.183 -24.803) 24.804 7.143 ( 1.799 16.501 -14.435) 21.998 7.461 ( -4.309 -13.266 -13.473) 19.393 7.906 ( 3.504 16.353 -3.984) 17.192 8.129 ( -0.521 -5.327 13.250) 14.290 8.203 ( 4.038 3.955 23.179) 23.858 8.365 ( 4.770 -9.759 9.978) 14.750 8.974 ( 2.819 7.971 -11.190) 14.025 9.159 ( 3.514 -9.549 -7.295) 12.520 9.799 ( 3.676 15.914 12.304) 20.449 10.150 ( 1.993 -12.504 7.359) 14.645 10.331 ( -4.867 -5.280 -0.009) 7.181 10.441 ( -14.399 -9.017 4.846) 17.667 10.912 ( -4.960 13.297 0.744) 14.211 11.172 ( -7.751 -9.519 -3.542) 12.777 11.569 ( 7.696 8.199 -2.251) 11.468 11.705 ( 8.489 -6.166 -3.846) 11.175 12.363 ( -4.391 -1.477 5.062) 6.862 12.371 ( -7.361 -0.474 0.236) 7.380 12.922 ( 6.607 3.718 -5.639) 9.448 13.048 ( 4.220 -7.243 0.897) 8.431 13.246 ( -14.993 6.709 -7.053) 17.876 13.328 ( -17.549 -1.718 -16.202) 23.947 13.624 ( 1.510 4.066 -0.954) 4.441 13.752 ( 2.252 -8.423 -4.690) 9.900 14.275 ( 4.420 6.032 -5.951) 9.558 14.336 ( 0.426 10.049 0.688) 10.082 14.383 ( 14.375 1.987 -6.379) 15.852 14.628 ( 14.154 -7.264 1.234) 15.957 14.811 ( -3.639 9.873 0.386) 10.529 15.014 ( 0.763 -7.713 0.913) 7.804 15.225 ( 0.778 5.210 3.072) 6.099 15.355 ( 0.322 -6.077 -2.353) 6.525 15.889 ( 7.112 14.707 4.161) 16.858 16.101 ( 3.464 -6.158 4.151) 8.194 16.326 ( -8.427 6.340 -12.296) 16.199 16.464 ( -7.492 -7.343 -10.561) 14.885 16.839 ( 10.257 7.318 17.840) 21.841 16.996 ( 7.732 -6.456 14.311) 17.500 17.774 ( -4.226 -0.539 -15.702) 16.270 17.869 ( -0.479 -8.732 -15.719) 17.987 18.669 ( 2.951 1.239 -4.520) 5.539 18.700 ( 3.143 -1.670 -8.180) 8.921 19.182 ( 4.230 5.360 0.991) 6.899 19.296 ( 7.319 -5.684 2.258) 9.538 19.678 ( -2.579 0.053 7.281) 7.725 19.752 ( -3.081 -6.558 8.101) 10.869 21.666 ( -2.478 3.587 5.988) 7.407 21.707 ( -2.090 -0.556 8.313) 8.590 22.046 ( -4.789 17.274 3.514) 18.267 22.394 ( -5.454 -17.594 -0.478) 18.426 ======================= Grid point 266 (93/144) ======================= q-point: ( 0.20 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 13.157 12.712 24.367) 30.471 4.278 ( 6.394 -8.020 16.497) 19.426 4.846 ( 13.121 17.633 16.565) 27.522 5.183 ( 4.049 -9.914 1.424) 10.803 5.383 ( -2.978 0.359 3.810) 4.849 5.534 ( -6.198 3.010 -10.350) 12.433 5.602 ( -0.621 -2.950 13.674) 14.002 5.946 ( -2.782 -18.815 0.707) 19.033 6.615 ( 3.055 3.413 -24.464) 24.890 6.638 ( 2.489 1.415 -22.159) 22.343 7.176 ( 1.249 10.361 -10.603) 14.878 7.360 ( -5.659 -7.498 -9.968) 13.697 7.983 ( 4.345 10.812 1.341) 11.729 8.122 ( 0.351 -4.842 9.603) 10.760 8.292 ( 5.305 10.875 17.683) 21.426 8.513 ( 9.817 -6.407 7.202) 13.759 9.070 ( 7.099 9.509 -8.565) 14.635 9.278 ( 9.088 -10.128 -4.504) 14.334 9.844 ( -0.984 16.417 15.400) 22.532 10.091 ( -16.092 -3.136 1.936) 16.509 10.166 ( 0.301 -5.242 0.611) 5.286 10.372 ( 6.180 -20.046 1.295) 21.017 10.789 ( -7.840 8.400 -4.173) 12.225 10.967 ( -13.523 -8.184 -5.949) 16.889 11.678 ( 1.749 10.775 -6.136) 12.523 11.856 ( 5.343 -3.705 -2.414) 6.936 12.124 ( -16.627 4.109 -5.739) 18.063 12.279 ( -8.720 -7.563 3.382) 12.028 12.777 ( -13.007 7.070 -0.125) 14.805 12.849 ( -10.508 0.587 -3.482) 11.085 13.212 ( 5.410 0.272 -15.733) 16.639 13.334 ( 8.162 -11.878 -11.005) 18.134 13.716 ( 8.292 10.623 4.737) 14.284 13.901 ( 11.490 -9.452 3.262) 15.232 14.271 ( -3.151 9.215 -0.561) 9.755 14.339 ( 0.330 3.247 -4.111) 5.249 14.586 ( 3.478 8.257 -2.672) 9.349 14.751 ( -1.241 13.228 -3.299) 13.690 14.903 ( 6.749 -18.926 3.538) 20.402 14.992 ( 4.317 -8.472 -1.673) 9.655 15.349 ( 4.088 3.887 0.373) 5.653 15.376 ( 8.179 -0.193 -1.081) 8.252 15.961 ( -3.551 16.155 4.337) 17.100 16.117 ( -8.924 1.656 -2.881) 9.523 16.204 ( 6.222 -0.647 -4.307) 7.594 16.365 ( -0.418 -12.965 -7.052) 14.765 17.093 ( 15.349 9.692 18.444) 25.879 17.222 ( 15.205 -1.374 14.615) 21.135 17.697 ( -2.583 -3.248 -9.554) 10.416 17.812 ( -5.307 -12.458 -15.313) 20.441 18.752 ( 6.795 2.513 2.351) 7.617 18.809 ( 6.240 -3.236 -1.497) 7.186 19.275 ( 4.202 10.411 -1.574) 11.337 19.401 ( 1.825 -1.054 2.335) 3.146 19.600 ( -5.694 -4.185 6.786) 9.798 19.690 ( -2.395 -11.302 9.597) 15.019 21.603 ( -3.706 4.785 1.842) 6.327 21.656 ( -2.927 -0.571 3.084) 4.290 21.926 ( -7.236 16.585 -0.972) 18.121 22.252 ( -8.923 -16.016 -4.965) 18.994 ======================= Grid point 267 (94/144) ======================= q-point: ( 0.30 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 15.395 4.483 19.971) 25.612 4.401 ( 6.449 -3.372 13.983) 15.763 5.017 ( -0.561 11.117 16.331) 19.764 5.209 ( 4.052 5.313 -5.803) 8.850 5.291 ( -5.583 -3.700 9.122) 11.317 5.490 ( 1.256 10.093 -9.763) 14.099 5.652 ( 4.837 -12.161 4.373) 13.799 5.902 ( -2.086 -17.914 2.022) 18.148 6.659 ( 1.861 3.878 -15.977) 16.546 6.702 ( 3.939 -0.247 -12.457) 13.068 7.171 ( -2.592 3.784 -5.508) 7.167 7.247 ( -6.369 -4.591 -10.683) 13.258 8.085 ( 7.088 7.509 3.041) 10.764 8.182 ( 6.744 -3.918 7.154) 10.583 8.424 ( 8.857 16.206 9.918) 20.963 8.693 ( 7.948 -6.551 4.521) 11.248 9.200 ( 4.068 14.174 0.432) 14.752 9.481 ( 10.057 -11.850 1.416) 15.606 9.765 ( -3.878 3.992 0.209) 5.569 9.836 ( -8.237 -4.766 -1.310) 9.606 10.245 ( 5.109 5.193 -5.222) 8.963 10.491 ( 2.089 -11.238 -2.548) 11.711 10.597 ( -12.562 -0.845 -8.372) 15.120 10.672 ( -14.982 -7.032 -12.399) 20.680 11.594 ( -9.327 10.022 -2.517) 13.920 11.772 ( -13.642 -5.267 -5.987) 15.802 11.868 ( -6.234 11.497 1.432) 13.157 12.086 ( -8.266 -9.234 2.019) 12.557 12.714 ( 5.563 8.594 -1.616) 10.364 12.809 ( 4.214 -2.312 -6.384) 7.991 13.310 ( 4.378 0.425 -13.889) 14.569 13.442 ( 2.490 -10.789 -6.810) 12.999 13.901 ( 9.523 11.376 7.687) 16.709 14.108 ( 7.622 -10.891 8.486) 15.771 14.196 ( -4.275 12.575 -0.342) 13.286 14.348 ( 1.631 -0.494 -4.424) 4.741 14.532 ( -5.534 7.425 1.522) 9.385 14.753 ( 0.649 17.537 -2.794) 17.770 14.901 ( -2.893 -23.517 6.850) 24.665 15.104 ( 1.704 -14.858 -1.345) 15.015 15.433 ( 5.473 11.528 -6.721) 14.423 15.570 ( 8.450 -2.230 -8.131) 11.937 15.766 ( -11.344 17.575 1.563) 20.976 16.007 ( -3.848 -5.674 3.194) 7.564 16.379 ( 11.658 1.276 -3.412) 12.213 16.480 ( 11.405 -7.707 -4.580) 14.507 17.313 ( 3.307 11.042 1.082) 11.577 17.530 ( 12.903 -3.176 12.739) 18.408 17.706 ( -0.481 -7.383 -6.191) 9.647 17.784 ( 14.084 -11.038 11.201) 21.111 18.894 ( 2.205 1.943 4.430) 5.316 18.919 ( 9.412 0.591 7.820) 12.251 19.265 ( -7.426 7.494 2.420) 10.824 19.385 ( -0.445 8.045 5.735) 9.890 19.457 ( -8.882 -9.355 7.070) 14.711 19.663 ( -1.869 -15.258 9.044) 17.835 21.541 ( -2.367 6.636 -4.486) 8.352 21.611 ( -1.372 -0.231 -4.766) 4.965 21.788 ( -6.747 14.059 -6.698) 16.972 22.069 ( -9.777 -13.514 -10.604) 19.765 ======================= Grid point 268 (95/144) ======================= q-point: ( 0.40 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( 6.793 5.131 10.931) 13.855 4.594 ( 11.266 3.159 12.046) 16.793 4.907 ( -5.838 1.289 13.012) 14.319 5.124 ( -9.212 -14.688 6.759) 18.609 5.386 ( 8.441 16.985 -2.491) 19.130 5.519 ( 0.936 13.050 -3.488) 13.540 5.756 ( 5.101 -14.896 -1.870) 15.856 5.863 ( -1.944 -15.154 0.263) 15.280 6.712 ( 4.227 5.612 -5.770) 9.091 6.782 ( 4.479 0.840 -3.972) 6.045 7.061 ( -7.946 -0.787 -0.721) 8.017 7.117 ( -7.330 -3.634 -6.910) 10.709 8.287 ( 13.889 7.180 2.478) 15.830 8.365 ( 11.395 -0.516 6.358) 13.059 8.607 ( 7.761 8.736 4.209) 12.420 8.764 ( -2.347 -2.742 6.521) 7.453 9.212 ( 1.515 17.102 3.394) 17.502 9.567 ( -0.034 -9.064 -3.419) 9.688 9.711 ( -5.511 -3.135 -1.951) 6.634 9.833 ( 3.210 -10.468 -10.797) 15.377 10.257 ( -3.336 2.350 -12.966) 13.593 10.308 ( -10.336 3.955 -16.849) 20.158 10.366 ( -8.028 -2.624 -10.516) 13.488 10.543 ( -6.315 -13.399 -14.582) 20.786 11.492 ( 1.116 10.339 3.394) 10.939 11.642 ( 1.102 -3.863 3.088) 5.067 11.736 ( -7.405 13.081 -2.215) 15.194 11.941 ( -8.169 -7.563 0.529) 11.145 12.878 ( 10.063 9.164 -0.766) 13.632 12.969 ( 11.093 -0.260 -1.846) 11.248 13.349 ( -1.841 -2.580 -6.129) 6.900 13.408 ( -5.496 -5.437 -4.019) 8.713 14.052 ( 6.208 7.338 6.424) 11.561 14.126 ( -2.535 14.192 0.532) 14.426 14.162 ( 0.403 -4.985 5.754) 7.623 14.354 ( -3.864 -7.031 -3.575) 8.783 14.520 ( 5.653 9.096 1.571) 10.825 14.732 ( -3.876 10.256 1.600) 11.080 14.857 ( 0.301 -21.589 8.433) 23.179 15.056 ( -5.601 -18.357 0.876) 19.212 15.494 ( 0.874 14.966 -10.429) 18.262 15.580 ( -4.573 20.872 -3.214) 21.607 15.731 ( 5.994 -4.257 -8.654) 11.355 15.943 ( -3.699 -11.544 -0.133) 12.123 16.640 ( 14.594 7.162 -2.029) 16.383 16.744 ( 13.973 1.640 -4.937) 14.910 17.269 ( -4.805 -4.174 -3.093) 7.077 17.457 ( -10.264 -18.208 -7.295) 22.138 18.034 ( 23.591 7.077 19.477) 31.400 18.166 ( 22.944 -6.489 18.149) 29.965 18.818 ( -11.332 10.244 13.847) 20.617 18.986 ( -13.008 -5.020 14.743) 20.292 19.162 ( 7.274 4.657 5.636) 10.313 19.314 ( -3.661 -10.141 6.237) 12.455 19.372 ( -1.449 5.906 5.244) 8.030 19.578 ( -7.181 -12.697 10.541) 17.997 21.523 ( 0.544 8.913 -10.213) 13.566 21.603 ( -0.589 6.288 -11.881) 13.455 21.691 ( -1.903 3.511 -11.703) 12.365 21.890 ( -8.693 -10.505 -14.983) 20.259 ======================= Grid point 269 (96/144) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.649 ( -4.965 13.152 7.951) 16.150 4.649 ( 4.965 13.152 7.951) 16.150 4.939 ( -8.897 -15.579 10.973) 21.030 4.939 ( 8.897 -15.579 10.973) 21.030 5.502 ( -3.340 14.868 -2.039) 15.375 5.502 ( 3.340 14.868 -2.039) 15.375 5.825 ( -2.311 -15.039 -2.097) 15.359 5.825 ( 2.311 -15.039 -2.097) 15.359 6.814 ( -4.468 8.757 -3.525) 10.444 6.814 ( 4.468 8.757 -3.525) 10.444 6.984 ( -4.139 -7.168 0.476) 8.291 6.984 ( 4.139 -7.168 0.476) 8.291 8.534 ( -4.037 8.180 4.618) 10.224 8.534 ( 4.037 8.180 4.618) 10.224 8.634 ( -4.023 -1.824 7.785) 8.951 8.634 ( 4.023 -1.824 7.785) 8.951 9.392 ( -15.796 13.698 -7.096) 22.079 9.392 ( 15.796 13.698 -7.096) 22.079 9.732 ( -9.687 -17.697 -7.680) 21.588 9.732 ( 9.687 -17.697 -7.680) 21.588 10.258 ( -4.281 2.470 -12.822) 13.742 10.258 ( 4.281 2.470 -12.822) 13.742 10.358 ( -10.946 -7.681 -17.081) 21.693 10.358 ( 10.946 -7.681 -17.081) 21.693 11.591 ( -7.359 12.248 -0.502) 14.298 11.591 ( 7.359 12.248 -0.502) 14.298 11.766 ( -9.454 -5.191 3.439) 11.320 11.766 ( 9.454 -5.191 3.439) 11.320 13.068 ( -6.509 12.560 1.531) 14.229 13.068 ( 6.509 12.560 1.531) 14.229 13.301 ( -4.148 -10.331 -2.949) 11.517 13.301 ( 4.148 -10.331 -2.949) 11.517 14.102 ( -0.502 9.461 2.946) 9.922 14.102 ( 0.502 9.461 2.946) 9.922 14.241 ( -7.078 -4.756 0.679) 8.555 14.241 ( 7.078 -4.756 0.679) 8.555 14.634 ( -5.522 7.734 1.768) 9.666 14.634 ( 5.522 7.734 1.768) 9.666 14.930 ( -6.470 -20.572 5.260) 22.197 14.930 ( 6.470 -20.572 5.260) 22.197 15.518 ( -2.274 20.314 -7.025) 21.614 15.518 ( 2.274 20.314 -7.025) 21.614 15.850 ( -5.890 -9.983 -6.704) 13.390 15.850 ( 5.890 -9.983 -6.704) 13.390 16.863 ( -5.314 15.203 -3.790) 16.545 16.863 ( 5.314 15.203 -3.790) 16.545 17.263 ( -7.364 -22.723 -3.789) 24.185 17.263 ( 7.364 -22.723 -3.789) 24.185 18.465 ( -17.543 10.454 17.705) 27.028 18.465 ( 17.543 10.454 17.705) 27.028 18.631 ( -18.450 -6.110 18.176) 26.610 18.631 ( 18.450 -6.110 18.176) 26.610 19.290 ( -2.648 2.497 5.607) 6.685 19.290 ( 2.648 2.497 5.607) 6.685 19.411 ( -8.449 -8.957 10.018) 15.873 19.411 ( 8.449 -8.957 10.018) 15.873 21.557 ( -2.813 11.602 -12.852) 17.541 21.557 ( 2.813 11.602 -12.852) 17.541 21.746 ( -6.050 -7.324 -15.816) 18.450 21.746 ( 6.050 -7.324 -15.816) 18.450 ======================= Grid point 308 (97/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.777 ( 0.000 0.000 32.572) 32.572 3.879 ( 0.000 0.000 44.091) 44.091 4.792 ( 0.000 0.000 -19.131) 19.131 5.133 ( 0.000 0.000 -1.325) 1.325 5.501 ( 0.000 0.000 0.502) 0.502 5.505 ( 0.000 0.000 -23.021) 23.021 5.549 ( 0.000 0.000 -22.582) 22.582 5.564 ( 0.000 0.000 -2.965) 2.965 6.570 ( 0.000 0.000 8.714) 8.714 6.995 ( 0.000 0.000 -9.342) 9.342 7.019 ( 0.000 0.000 10.290) 10.290 7.312 ( 0.000 0.000 39.867) 39.867 7.639 ( 0.000 0.000 -19.538) 19.538 8.377 ( 0.000 0.000 -20.934) 20.934 8.563 ( 0.000 0.000 19.841) 19.841 8.765 ( 0.000 0.000 29.532) 29.532 8.926 ( 0.000 0.000 -1.915) 1.915 9.201 ( 0.000 0.000 14.982) 14.982 9.542 ( 0.000 0.000 0.581) 0.581 9.724 ( 0.000 0.000 -7.720) 7.720 10.052 ( 0.000 0.000 -29.896) 29.896 10.766 ( 0.000 0.000 -17.697) 17.697 11.089 ( 0.000 0.000 -2.170) 2.170 11.264 ( 0.000 0.000 -1.725) 1.725 11.773 ( 0.000 0.000 -19.079) 19.079 12.053 ( 0.000 0.000 -9.990) 9.990 12.173 ( 0.000 0.000 21.970) 21.970 12.482 ( 0.000 0.000 0.660) 0.660 12.863 ( 0.000 0.000 -3.330) 3.330 13.083 ( 0.000 0.000 9.054) 9.054 13.225 ( 0.000 0.000 4.511) 4.511 13.357 ( 0.000 0.000 -20.995) 20.995 13.388 ( 0.000 0.000 11.878) 11.878 13.822 ( 0.000 0.000 -6.317) 6.317 13.901 ( 0.000 0.000 2.110) 2.110 13.975 ( 0.000 0.000 -1.776) 1.776 14.094 ( 0.000 0.000 0.010) 0.010 14.289 ( 0.000 0.000 -10.052) 10.052 14.691 ( 0.000 0.000 17.892) 17.892 15.085 ( 0.000 0.000 13.845) 13.845 15.173 ( 0.000 0.000 12.388) 12.388 15.474 ( 0.000 0.000 6.380) 6.380 15.532 ( 0.000 0.000 -7.730) 7.730 15.884 ( 0.000 0.000 -14.164) 14.164 16.255 ( 0.000 0.000 -21.324) 21.324 16.301 ( 0.000 0.000 -17.970) 17.970 16.691 ( 0.000 0.000 18.305) 18.305 17.130 ( 0.000 0.000 27.916) 27.916 17.592 ( 0.000 0.000 -20.990) 20.990 18.330 ( 0.000 0.000 -27.457) 27.457 18.591 ( 0.000 0.000 2.455) 2.455 18.727 ( 0.000 0.000 -2.608) 2.608 19.288 ( 0.000 0.000 14.207) 14.207 19.506 ( 0.000 0.000 4.790) 4.790 19.878 ( 0.000 0.000 -0.229) 0.229 20.010 ( 0.000 0.000 -5.763) 5.763 21.553 ( 0.000 0.000 5.744) 5.744 21.567 ( 0.000 0.000 3.654) 3.654 22.142 ( 0.000 0.000 21.033) 21.033 22.927 ( 0.000 0.000 -16.755) 16.755 ======================= Grid point 309 (98/144) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.842 ( 6.138 0.000 28.898) 29.543 4.009 ( 12.233 0.000 39.738) 41.579 4.743 ( -5.179 0.000 -17.793) 18.532 5.101 ( -1.786 0.000 -6.115) 6.370 5.553 ( 5.245 0.000 0.032) 5.245 5.575 ( 1.218 0.000 -2.040) 2.376 5.582 ( 6.505 0.000 -12.278) 13.895 5.719 ( 16.356 0.000 -26.425) 31.077 6.515 ( -4.625 0.000 9.078) 10.188 6.871 ( -11.644 0.000 -7.111) 13.644 7.026 ( 1.001 0.000 11.325) 11.369 7.351 ( 3.869 0.000 34.373) 34.590 7.671 ( 3.257 0.000 -19.530) 19.799 8.301 ( -7.349 0.000 -18.904) 20.282 8.594 ( 2.749 0.000 21.437) 21.613 8.670 ( -7.584 0.000 28.060) 29.067 8.940 ( 1.391 0.000 -0.582) 1.508 9.305 ( 7.459 0.000 13.816) 15.701 9.522 ( -1.951 0.000 1.100) 2.240 9.701 ( -1.053 0.000 -10.718) 10.769 10.129 ( 7.226 0.000 -23.641) 24.721 10.786 ( 0.446 0.000 -9.077) 9.088 11.037 ( 0.779 0.000 -1.777) 1.941 11.265 ( -5.576 0.000 -23.520) 24.172 11.684 ( -5.614 0.000 -4.586) 7.249 11.901 ( -22.399 0.000 13.551) 26.179 12.055 ( -3.357 0.000 -12.072) 12.530 12.363 ( -19.784 0.000 -7.593) 21.191 12.838 ( 3.160 0.000 6.030) 6.808 12.961 ( -9.804 0.000 7.578) 12.391 13.086 ( -8.851 0.000 2.182) 9.116 13.398 ( 5.367 0.000 -13.062) 14.121 13.470 ( 7.591 0.000 10.511) 12.965 13.865 ( -1.660 0.000 5.222) 5.479 13.872 ( 4.706 0.000 -5.632) 7.339 14.092 ( 6.929 0.000 -6.222) 9.313 14.282 ( 14.976 0.000 0.967) 15.007 14.450 ( 12.424 0.000 -8.741) 15.191 14.813 ( 9.256 0.000 14.512) 17.213 15.071 ( -1.096 0.000 11.739) 11.791 15.188 ( 2.315 0.000 15.070) 15.247 15.467 ( -0.625 0.000 2.526) 2.602 15.578 ( 5.449 0.000 -9.755) 11.174 15.848 ( -2.915 0.000 -8.306) 8.803 16.191 ( -5.905 0.000 -22.248) 23.018 16.358 ( 6.519 0.000 -17.951) 19.098 16.791 ( 10.454 0.000 21.129) 23.574 17.149 ( 2.592 0.000 29.331) 29.445 17.682 ( 8.463 0.000 -19.874) 21.601 18.352 ( 2.338 0.000 -26.656) 26.759 18.614 ( 2.458 0.000 3.421) 4.213 18.785 ( 5.906 0.000 -3.664) 6.950 19.211 ( -5.750 0.000 15.260) 16.307 19.556 ( 1.268 0.000 -0.151) 1.277 19.913 ( 4.055 0.000 1.334) 4.269 20.064 ( 6.285 0.000 -3.915) 7.405 21.470 ( -7.967 0.000 5.633) 9.757 21.520 ( -5.423 0.000 2.696) 6.056 22.052 ( -9.150 0.000 19.892) 21.896 22.819 ( -11.010 0.000 -16.771) 20.062 ======================= Grid point 310 (99/144) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.967 ( 5.410 0.000 18.542) 19.316 4.273 ( 13.683 0.000 28.904) 31.979 4.591 ( -10.622 0.000 -15.274) 18.604 5.091 ( 0.674 0.000 -9.209) 9.234 5.613 ( 3.596 0.000 1.726) 3.989 5.698 ( 9.213 0.000 0.031) 9.213 5.706 ( 4.217 0.000 -4.393) 6.090 6.072 ( 17.637 0.000 -20.238) 26.845 6.457 ( -0.193 0.000 2.912) 2.918 6.619 ( -12.502 0.000 -4.130) 13.166 7.071 ( 3.995 0.000 13.688) 14.259 7.473 ( 10.116 0.000 22.869) 25.006 7.764 ( 6.493 0.000 -18.760) 19.852 8.133 ( -8.697 0.000 -14.646) 17.033 8.532 ( -6.406 0.000 26.055) 26.831 8.667 ( 5.219 0.000 28.135) 28.615 8.961 ( -0.026 0.000 4.289) 4.290 9.365 ( -2.138 0.000 -1.831) 2.815 9.494 ( 0.510 0.000 -3.141) 3.183 9.748 ( 5.902 0.000 0.225) 5.906 10.293 ( 8.737 0.000 -16.598) 18.757 10.760 ( -5.746 0.000 -5.897) 8.234 10.928 ( -14.786 0.000 -10.473) 18.119 11.283 ( 11.612 0.000 -15.172) 19.106 11.443 ( -23.516 0.000 6.164) 24.310 11.563 ( -6.317 0.000 0.059) 6.317 11.829 ( -31.049 0.000 -13.740) 33.953 11.890 ( -11.990 0.000 -16.331) 20.259 12.787 ( -7.738 0.000 8.497) 11.492 12.978 ( 9.775 0.000 13.364) 16.557 13.007 ( 0.158 0.000 -4.596) 4.599 13.532 ( 7.173 0.000 -8.262) 10.942 13.635 ( 7.842 0.000 8.063) 11.247 13.855 ( 1.284 0.000 4.980) 5.143 13.965 ( 3.550 0.000 -4.435) 5.680 14.166 ( 1.027 0.000 -9.890) 9.943 14.485 ( 1.669 0.000 2.852) 3.305 14.626 ( 6.686 0.000 -4.674) 8.158 14.860 ( -5.437 0.000 11.299) 12.539 15.062 ( 0.069 0.000 2.817) 2.818 15.334 ( 10.898 0.000 10.765) 15.318 15.440 ( -2.898 0.000 -12.639) 12.967 15.699 ( 4.896 0.000 -9.484) 10.673 15.866 ( 8.078 0.000 11.905) 14.387 16.118 ( 1.716 0.000 -14.517) 14.618 16.560 ( 14.198 0.000 -16.405) 21.696 17.070 ( 17.796 0.000 21.271) 27.733 17.250 ( 7.975 0.000 30.069) 31.109 17.870 ( 10.138 0.000 -16.377) 19.261 18.421 ( 4.611 0.000 -24.963) 25.386 18.688 ( 5.280 0.000 5.995) 7.988 18.945 ( 10.438 0.000 -5.467) 11.783 19.108 ( -4.626 0.000 15.399) 16.079 19.501 ( -5.586 0.000 -3.036) 6.357 20.028 ( 6.911 0.000 4.700) 8.358 20.249 ( 12.114 0.000 -3.067) 12.496 21.260 ( -13.659 0.000 5.030) 14.556 21.362 ( -10.851 0.000 -0.106) 10.852 21.806 ( -16.062 0.000 16.092) 22.736 22.527 ( -18.761 0.000 -17.509) 25.662 ======================= Grid point 311 (100/144) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -1.322 0.000 5.751) 5.901 4.353 ( -13.598 0.000 -13.128) 18.901 4.509 ( 11.108 0.000 16.612) 19.984 5.106 ( 0.013 0.000 -11.121) 11.121 5.716 ( -1.509 0.000 6.971) 7.133 5.734 ( 8.984 0.000 7.068) 11.431 5.884 ( 9.473 0.000 1.020) 9.528 6.220 ( -5.677 0.000 -7.164) 9.141 6.458 ( 1.618 0.000 -8.855) 9.002 6.527 ( 1.340 0.000 -6.574) 6.710 7.184 ( 7.925 0.000 16.811) 18.586 7.789 ( 23.104 0.000 8.179) 24.509 7.908 ( 7.280 0.000 -15.669) 17.278 8.045 ( 1.476 0.000 -6.789) 6.948 8.434 ( -3.027 0.000 22.473) 22.676 8.786 ( 4.352 0.000 37.984) 38.233 8.940 ( 0.982 0.000 4.315) 4.425 9.272 ( -6.421 0.000 -13.089) 14.579 9.585 ( 8.403 0.000 -13.355) 15.779 9.836 ( 1.256 0.000 7.739) 7.840 10.386 ( -2.341 0.000 -13.988) 14.183 10.439 ( -22.593 0.000 -26.670) 34.953 10.662 ( -16.267 0.000 16.707) 23.319 11.071 ( -13.076 0.000 0.947) 13.110 11.315 ( -19.550 0.000 -11.882) 22.878 11.401 ( -8.039 0.000 1.643) 8.205 11.590 ( 10.537 0.000 -3.163) 11.001 11.782 ( 8.616 0.000 -24.849) 26.301 12.651 ( -7.351 0.000 10.978) 13.211 13.029 ( 0.248 0.000 -10.213) 10.216 13.181 ( 10.832 0.000 13.676) 17.446 13.626 ( 2.407 0.000 -3.382) 4.151 13.689 ( -3.999 0.000 5.503) 6.803 13.914 ( 3.169 0.000 2.669) 4.144 13.938 ( -6.755 0.000 -3.088) 7.427 14.202 ( 5.769 0.000 -14.435) 15.545 14.447 ( -0.038 0.000 4.031) 4.031 14.680 ( -11.951 0.000 10.366) 15.820 14.686 ( -1.210 0.000 -6.985) 7.089 15.074 ( 1.795 0.000 -0.765) 1.952 15.355 ( -9.876 0.000 -14.505) 17.548 15.365 ( -4.338 0.000 -15.794) 16.379 15.870 ( 14.641 0.000 9.984) 17.721 16.159 ( 20.033 0.000 19.047) 27.643 16.251 ( 8.683 0.000 -4.009) 9.564 16.857 ( 14.870 0.000 -11.586) 18.851 17.436 ( 10.918 0.000 25.787) 28.004 17.438 ( 19.867 0.000 17.226) 26.295 18.040 ( 7.022 0.000 -11.256) 13.266 18.480 ( -0.969 0.000 -21.814) 21.836 18.822 ( 8.935 0.000 9.615) 13.126 19.069 ( 2.555 0.000 14.297) 14.524 19.160 ( 11.093 0.000 -4.706) 12.050 19.423 ( -0.814 0.000 -1.674) 1.861 20.142 ( 4.453 0.000 9.419) 10.418 20.472 ( 9.401 0.000 0.543) 9.417 20.968 ( -15.890 0.000 2.559) 16.095 21.119 ( -14.060 0.000 -4.099) 14.646 21.475 ( -16.779 0.000 6.779) 18.097 22.131 ( -21.758 0.000 -19.912) 29.494 ======================= Grid point 312 (101/144) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -2.643 0.000 -3.055) 4.040 4.106 ( -11.182 0.000 -10.986) 15.676 4.710 ( 10.269 0.000 5.828) 11.808 5.056 ( -5.673 0.000 -9.396) 10.976 5.725 ( 3.542 0.000 8.394) 9.111 5.922 ( 9.312 0.000 8.122) 12.357 6.028 ( 4.808 0.000 2.871) 5.600 6.037 ( -10.552 0.000 -0.948) 10.594 6.463 ( -0.907 0.000 -5.449) 5.524 6.520 ( -2.449 0.000 -11.220) 11.484 7.385 ( 13.217 0.000 19.165) 23.281 7.923 ( -7.830 0.000 3.403) 8.538 8.192 ( 12.508 0.000 2.262) 12.711 8.304 ( 27.390 0.000 -2.707) 27.524 8.509 ( 12.442 0.000 4.325) 13.173 8.720 ( -6.744 0.000 23.865) 24.799 9.092 ( 8.032 0.000 16.536) 18.384 9.116 ( -11.027 0.000 -15.044) 18.652 9.662 ( -5.109 0.000 -24.829) 25.350 9.809 ( -1.527 0.000 3.104) 3.459 10.068 ( -15.682 0.000 -20.910) 26.137 10.156 ( -17.524 0.000 -12.478) 21.512 10.414 ( -0.453 0.000 19.234) 19.239 10.992 ( 2.236 0.000 -1.669) 2.790 11.101 ( -19.783 0.000 -5.466) 20.524 11.107 ( -4.461 0.000 -7.040) 8.334 11.860 ( 16.647 0.000 3.198) 16.951 12.117 ( 21.276 0.000 -12.192) 24.522 12.477 ( -11.211 0.000 13.301) 17.396 12.922 ( -13.575 0.000 -8.722) 16.135 13.372 ( 8.766 0.000 9.632) 13.024 13.558 ( -4.001 0.000 1.010) 4.126 13.623 ( -3.116 0.000 -1.491) 3.455 13.774 ( -9.606 0.000 -5.892) 11.269 13.978 ( 6.022 0.000 4.872) 7.746 14.414 ( 4.869 0.000 -10.972) 12.003 14.437 ( -3.118 0.000 3.360) 4.584 14.504 ( 4.276 0.000 -0.968) 4.384 14.631 ( -3.167 0.000 -7.793) 8.412 15.084 ( -16.627 0.000 -18.717) 25.036 15.126 ( 3.249 0.000 -2.367) 4.020 15.279 ( -4.551 0.000 -10.954) 11.862 16.151 ( 12.938 0.000 11.813) 17.519 16.366 ( 2.462 0.000 2.477) 3.492 16.558 ( 20.419 0.000 17.987) 27.212 17.031 ( 1.138 0.000 3.142) 3.342 17.677 ( 15.077 0.000 9.822) 17.994 17.793 ( 16.306 0.000 10.344) 19.310 18.115 ( 0.187 0.000 -4.861) 4.865 18.324 ( -14.146 0.000 -12.425) 18.828 19.032 ( 12.697 0.000 12.497) 17.815 19.243 ( 13.808 0.000 8.124) 16.020 19.319 ( 3.823 0.000 2.053) 4.339 19.478 ( 4.709 0.000 -1.327) 4.893 20.197 ( 2.209 0.000 17.428) 17.568 20.517 ( -6.618 0.000 16.163) 17.465 20.705 ( -9.710 0.000 -3.510) 10.325 20.849 ( -13.301 0.000 -8.394) 15.729 21.274 ( -1.284 0.000 -14.268) 14.326 21.727 ( -19.597 0.000 -23.366) 30.497 ======================= Grid point 313 (102/144) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -3.836 0.000 -7.964) 8.840 3.957 ( 3.836 0.000 -7.964) 8.840 4.903 ( -9.593 0.000 -3.005) 10.053 4.903 ( 9.593 0.000 -3.005) 10.053 5.848 ( -8.736 0.000 4.026) 9.619 5.848 ( 8.736 0.000 4.026) 9.619 6.047 ( -3.043 0.000 5.685) 6.449 6.047 ( 3.043 0.000 5.685) 6.449 6.469 ( -1.893 0.000 -7.959) 8.181 6.469 ( 1.893 0.000 -7.959) 8.181 7.673 ( -15.832 0.000 16.615) 22.950 7.673 ( 15.832 0.000 16.615) 22.950 8.440 ( -11.363 0.000 8.825) 14.388 8.440 ( 11.363 0.000 8.825) 14.388 8.828 ( -18.040 0.000 -8.967) 20.146 8.828 ( 18.040 0.000 -8.967) 20.146 8.921 ( -23.592 0.000 4.097) 23.945 8.921 ( 23.592 0.000 4.097) 23.945 9.735 ( -15.896 0.000 -11.447) 19.588 9.735 ( 15.896 0.000 -11.447) 19.588 9.876 ( -9.616 0.000 -6.991) 11.888 9.876 ( 9.616 0.000 -6.991) 11.888 10.691 ( -21.776 0.000 -0.064) 21.776 10.691 ( 21.776 0.000 -0.064) 21.776 11.051 ( -2.805 0.000 -3.555) 4.528 11.051 ( 2.805 0.000 -3.555) 4.528 12.187 ( -16.322 0.000 9.723) 18.999 12.187 ( 16.322 0.000 9.723) 18.999 12.557 ( -21.669 0.000 -5.279) 22.303 12.557 ( 21.669 0.000 -5.279) 22.303 13.520 ( -6.887 0.000 3.007) 7.514 13.520 ( 6.887 0.000 3.007) 7.514 13.602 ( -7.080 0.000 -6.356) 9.515 13.602 ( 7.080 0.000 -6.356) 9.515 14.167 ( -12.711 0.000 7.615) 14.817 14.167 ( 12.711 0.000 7.615) 14.817 14.575 ( -3.047 0.000 -5.439) 6.234 14.575 ( 3.047 0.000 -5.439) 6.234 14.750 ( -17.784 0.000 -18.046) 25.336 14.750 ( 17.784 0.000 -18.046) 25.336 15.195 ( -4.068 0.000 -5.951) 7.209 15.195 ( 4.068 0.000 -5.951) 7.209 16.334 ( -5.793 0.000 7.926) 9.817 16.334 ( 5.793 0.000 7.926) 9.817 16.897 ( -13.776 0.000 14.481) 19.987 16.897 ( 13.776 0.000 14.481) 19.987 18.004 ( -18.025 0.000 -4.087) 18.483 18.004 ( 18.025 0.000 -4.087) 18.483 18.035 ( -8.554 0.000 2.566) 8.930 18.035 ( 8.554 0.000 2.566) 8.930 19.262 ( -9.313 0.000 10.882) 14.323 19.262 ( 9.313 0.000 10.882) 14.323 19.476 ( -7.295 0.000 1.774) 7.508 19.476 ( 7.295 0.000 1.774) 7.508 20.307 ( -10.642 0.000 22.866) 25.221 20.307 ( 10.642 0.000 22.866) 25.221 20.658 ( -5.000 0.000 -9.611) 10.834 20.658 ( 5.000 0.000 -9.611) 10.834 21.408 ( -13.105 0.000 -24.313) 27.620 21.408 ( 13.105 0.000 -24.313) 27.620 ======================= Grid point 319 (103/144) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.819 ( 0.000 4.868 29.805) 30.200 3.997 ( 0.000 11.522 41.176) 42.757 4.777 ( 0.000 0.398 -19.894) 19.898 5.145 ( 0.000 -0.574 5.355) 5.386 5.509 ( 0.000 0.831 -10.305) 10.339 5.567 ( 0.000 6.091 -0.242) 6.096 5.590 ( 0.000 3.626 -24.260) 24.530 5.696 ( 0.000 11.094 -10.964) 15.598 6.489 ( 0.000 -7.158 3.541) 7.986 6.756 ( 0.000 -19.975 -4.659) 20.511 7.027 ( 0.000 -4.088 8.969) 9.856 7.329 ( 0.000 4.493 28.482) 28.834 7.643 ( 0.000 -1.244 -19.221) 19.262 8.250 ( 0.000 -9.353 -17.541) 19.879 8.571 ( 0.000 1.473 23.385) 23.431 8.770 ( 0.000 -0.991 15.533) 15.564 8.904 ( 0.000 -1.791 9.105) 9.279 9.368 ( 0.000 6.684 10.373) 12.340 9.424 ( 0.000 0.423 5.810) 5.825 9.854 ( 0.000 12.370 -7.382) 14.405 10.110 ( 0.000 1.573 -24.789) 24.838 10.836 ( 0.000 6.281 -14.379) 15.691 11.035 ( 0.000 -1.930 -2.115) 2.863 11.198 ( 0.000 -6.647 -3.033) 7.306 11.703 ( 0.000 -5.907 -11.613) 13.029 11.979 ( 0.000 -7.302 -8.969) 11.566 12.130 ( 0.000 -3.993 12.494) 13.116 12.590 ( 0.000 6.657 -3.245) 7.406 12.951 ( 0.000 -0.211 9.401) 9.404 13.147 ( 0.000 6.581 8.675) 10.889 13.216 ( 0.000 1.170 2.138) 2.437 13.280 ( 0.000 1.040 -1.705) 1.997 13.497 ( 0.000 10.769 -14.559) 18.109 13.531 ( 0.000 -18.784 -10.750) 21.643 13.960 ( 0.000 -3.726 3.351) 5.011 14.097 ( 0.000 6.707 0.712) 6.745 14.159 ( 0.000 10.236 -0.616) 10.254 14.213 ( 0.000 -6.516 -8.964) 11.082 14.746 ( 0.000 4.786 14.495) 15.264 15.082 ( 0.000 0.034 13.089) 13.089 15.275 ( 0.000 5.446 -0.457) 5.465 15.462 ( 0.000 -1.435 5.100) 5.298 15.519 ( 0.000 2.748 5.153) 5.840 15.907 ( 0.000 2.760 -11.964) 12.278 16.303 ( 0.000 3.422 -14.986) 15.372 16.352 ( 0.000 3.550 -18.327) 18.668 16.739 ( 0.000 5.321 12.787) 13.850 17.054 ( 0.000 -5.986 23.517) 24.267 17.640 ( 0.000 3.532 -15.698) 16.090 18.306 ( 0.000 -3.633 -24.398) 24.667 18.435 ( 0.000 -13.043 1.501) 13.129 18.637 ( 0.000 -8.050 -4.026) 9.001 19.286 ( 0.000 -0.483 11.876) 11.885 19.494 ( 0.000 -1.949 3.373) 3.896 19.865 ( 0.000 -1.225 1.880) 2.244 19.997 ( 0.000 -1.261 -3.581) 3.797 21.612 ( 0.000 4.287 4.000) 5.863 21.631 ( 0.000 7.413 4.431) 8.636 22.122 ( 0.000 -1.878 19.656) 19.746 22.849 ( 0.000 -7.545 -14.956) 16.751 ======================= Grid point 320 (104/144) ======================= q-point: ( 0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.892 ( 6.964 5.502 26.322) 27.778 4.115 ( 11.115 10.118 37.172) 40.096 4.749 ( -3.135 1.929 -18.502) 18.865 5.122 ( -1.751 0.564 0.747) 1.986 5.543 ( 2.648 0.050 -5.805) 6.381 5.547 ( 2.420 -0.877 0.068) 2.575 5.690 ( 3.991 7.048 -13.998) 16.173 5.834 ( 15.201 10.293 -17.957) 25.680 6.436 ( -4.619 -6.637 3.252) 8.715 6.670 ( -8.311 -17.912 -5.576) 20.518 7.046 ( 2.254 -2.937 10.256) 10.903 7.324 ( 0.419 1.409 24.268) 24.312 7.699 ( 5.050 0.415 -16.772) 17.520 8.180 ( -6.690 -7.739 -15.987) 18.980 8.595 ( 2.525 1.327 23.121) 23.296 8.731 ( -4.781 2.741 22.464) 23.130 8.881 ( -0.556 -4.477 2.308) 5.068 9.392 ( 1.212 -4.539 4.915) 6.799 9.479 ( 4.497 11.197 10.697) 16.125 9.825 ( -0.945 9.695 -9.494) 13.602 10.180 ( 6.220 3.245 -20.096) 21.285 10.819 ( -3.466 2.552 -4.241) 6.042 11.031 ( 1.264 -0.086 -2.658) 2.945 11.169 ( -2.718 -8.142 -14.528) 16.875 11.600 ( -12.086 -2.611 -13.804) 18.532 11.806 ( -12.764 -12.227 2.448) 17.845 12.068 ( -7.975 3.236 0.613) 8.628 12.515 ( -13.268 8.885 -10.212) 18.954 12.945 ( -1.498 1.401 4.942) 5.351 12.969 ( -11.515 0.773 5.750) 12.894 13.144 ( -2.522 11.884 4.329) 12.897 13.228 ( 1.132 -10.170 5.760) 11.743 13.603 ( 6.960 -1.401 -6.134) 9.382 13.647 ( 9.083 -1.709 -12.210) 15.313 14.049 ( -1.299 10.461 2.713) 10.885 14.109 ( 4.021 -2.571 1.841) 5.116 14.192 ( 9.531 -5.782 -0.739) 11.173 14.398 ( 14.740 -2.488 -8.593) 17.242 14.894 ( 10.189 4.329 11.838) 16.208 15.078 ( 0.070 1.903 9.298) 9.491 15.261 ( -1.245 4.658 9.604) 10.746 15.491 ( 3.948 -1.441 -5.845) 7.199 15.537 ( 1.460 1.625 2.910) 3.639 15.893 ( -0.750 4.526 -5.902) 7.476 16.211 ( -7.513 2.986 -18.020) 19.750 16.415 ( 5.307 2.095 -15.706) 16.710 16.822 ( 8.933 3.666 16.724) 19.311 17.114 ( 6.553 -2.301 24.649) 25.609 17.704 ( 5.997 1.260 -15.467) 16.637 18.319 ( 1.601 -5.003 -21.230) 21.870 18.486 ( 5.132 -10.067 -0.100) 11.300 18.697 ( 6.064 -7.590 -4.872) 10.868 19.217 ( -5.247 0.506 13.034) 14.060 19.531 ( 0.919 -2.707 -0.756) 2.957 19.897 ( 3.489 -1.722 3.033) 4.933 20.040 ( 5.078 -2.339 -2.127) 5.982 21.538 ( -7.277 5.931 4.446) 10.387 21.581 ( -5.332 6.425 2.835) 8.817 22.037 ( -8.652 -1.450 18.489) 20.464 22.747 ( -10.388 -6.966 -15.118) 19.621 ======================= Grid point 321 (105/144) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 7.530 7.750 16.646) 19.845 4.356 ( 12.389 7.766 27.536) 31.177 4.648 ( -7.386 5.908 -15.444) 18.110 5.100 ( -0.418 0.578 -3.988) 4.051 5.570 ( 1.446 -4.050 7.800) 8.907 5.657 ( 7.165 -2.772 -0.744) 7.718 5.773 ( 3.711 4.363 -8.410) 10.175 6.149 ( 13.772 6.559 -15.961) 22.078 6.378 ( 0.848 -5.410 -2.049) 5.847 6.490 ( -8.527 -11.626 -6.226) 15.705 7.119 ( 5.340 -1.654 11.926) 13.171 7.391 ( 7.770 -3.152 14.508) 16.757 7.793 ( 2.816 -2.307 -11.200) 11.777 8.049 ( -4.050 0.017 -13.045) 13.660 8.604 ( -6.416 3.645 19.780) 21.111 8.685 ( 6.203 2.056 27.261) 28.033 8.888 ( 0.656 -5.146 2.643) 5.823 9.426 ( 2.694 -2.377 1.882) 4.055 9.496 ( -2.808 9.758 -1.509) 10.266 9.883 ( 6.029 9.881 0.770) 11.600 10.312 ( 6.627 1.180 -16.940) 18.228 10.674 ( -12.702 -7.392 2.593) 14.924 10.904 ( -14.617 -2.534 -11.212) 18.595 11.221 ( 0.583 -10.077 -4.924) 11.231 11.379 ( -0.819 3.707 -10.036) 10.730 11.578 ( -9.580 -6.907 -6.494) 13.478 11.790 ( -21.454 9.578 -4.572) 23.935 12.113 ( -22.060 11.476 -13.968) 28.521 12.770 ( -8.950 -1.532 7.403) 11.716 12.952 ( 1.305 -4.317 -3.060) 5.450 13.191 ( 6.971 16.678 11.184) 21.257 13.367 ( 10.507 -15.155 5.837) 19.343 13.713 ( 3.694 7.043 -4.328) 9.054 13.803 ( 5.963 -4.585 -8.535) 11.377 14.018 ( 0.298 6.865 0.339) 6.880 14.123 ( -1.099 -3.590 -3.880) 5.399 14.457 ( 12.368 -5.465 4.256) 14.175 14.611 ( 5.804 2.273 -6.599) 9.078 14.890 ( -8.033 0.778 7.725) 11.172 15.151 ( 3.162 7.840 2.509) 8.818 15.332 ( 9.853 -2.010 14.063) 17.288 15.437 ( -6.652 2.722 -9.806) 12.158 15.679 ( 8.187 -2.894 -10.029) 13.265 15.914 ( 1.621 1.802 0.612) 2.499 16.099 ( 1.213 3.792 -4.723) 6.178 16.568 ( 10.576 -2.738 -11.142) 15.604 17.066 ( 15.746 0.868 17.421) 23.498 17.311 ( 13.755 5.279 24.737) 28.792 17.837 ( 7.171 -3.439 -13.786) 15.916 18.376 ( 4.485 -6.939 -14.976) 17.104 18.616 ( 7.910 -4.231 -1.719) 9.134 18.857 ( 10.249 -7.232 -6.421) 14.092 19.120 ( -4.484 1.471 13.841) 14.623 19.486 ( -4.540 -1.514 -2.802) 5.546 19.988 ( 5.213 -4.121 5.587) 8.681 20.192 ( 9.900 -5.584 -1.463) 11.460 21.345 ( -12.521 7.716 3.812) 15.194 21.431 ( -10.078 6.764 -0.112) 12.138 21.806 ( -14.886 -0.008 14.546) 20.813 22.471 ( -17.746 -5.457 -16.119) 24.587 ======================= Grid point 322 (106/144) ======================= q-point: ( 0.30 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 1.203 11.771 5.538) 13.065 4.437 ( -9.392 8.120 -4.473) 13.197 4.593 ( 7.776 7.971 8.055) 13.744 5.098 ( -0.330 -0.224 -7.887) 7.897 5.618 ( 2.745 -7.452 15.165) 17.119 5.753 ( 3.528 -1.101 1.344) 3.933 5.870 ( 7.424 -1.990 -0.105) 7.687 6.193 ( -6.411 -3.181 -5.095) 8.785 6.405 ( 1.034 -4.546 -6.565) 8.052 6.511 ( 6.216 1.745 -12.335) 13.923 7.246 ( 7.870 0.218 14.124) 16.170 7.636 ( 14.962 -12.893 -0.699) 19.763 7.791 ( 2.950 -6.472 3.139) 7.775 8.116 ( 9.019 8.980 -12.793) 18.046 8.495 ( -3.790 2.353 18.929) 19.447 8.833 ( 4.382 2.841 26.718) 27.223 8.907 ( 4.962 -0.862 5.237) 7.265 9.354 ( -8.492 7.767 -7.444) 13.706 9.574 ( 9.611 -0.543 -8.803) 13.044 9.949 ( -1.953 8.441 1.437) 8.783 10.331 ( -10.230 -4.421 -3.201) 11.595 10.371 ( -16.369 -7.393 -18.605) 25.860 10.603 ( -9.145 -2.237 0.439) 9.425 11.107 ( -9.113 -12.838 -8.086) 17.699 11.311 ( -22.769 15.024 -2.123) 27.362 11.439 ( -7.291 2.192 1.540) 7.768 11.553 ( 8.892 -2.026 -0.248) 9.123 11.917 ( 6.583 11.559 -22.386) 26.040 12.613 ( -8.134 -3.557 9.675) 13.131 12.966 ( -0.484 -5.804 -9.047) 10.759 13.354 ( 8.551 13.492 11.342) 19.590 13.528 ( 3.296 -10.126 5.536) 12.002 13.751 ( -0.039 4.695 -2.154) 5.165 13.824 ( -2.439 -0.564 -6.739) 7.189 14.017 ( -1.272 4.648 0.958) 4.914 14.163 ( 6.936 -2.488 -5.277) 9.064 14.538 ( -1.384 4.539 -2.461) 5.345 14.686 ( -3.540 4.934 -5.040) 7.892 14.739 ( -1.229 1.321 6.866) 7.100 15.166 ( -4.995 10.183 3.848) 11.977 15.241 ( -4.260 -3.433 -14.586) 15.579 15.604 ( 0.145 12.222 -7.278) 14.225 15.662 ( 5.410 -11.176 1.857) 12.554 16.022 ( 8.399 -18.042 -1.667) 19.971 16.311 ( 16.600 6.943 14.329) 23.001 16.788 ( 11.138 -8.022 -6.173) 15.050 17.395 ( 17.812 -1.057 13.126) 22.151 17.608 ( 16.076 11.612 22.168) 29.744 17.956 ( 4.894 -7.918 -10.996) 14.407 18.473 ( 3.719 -4.129 -12.463) 13.645 18.755 ( 5.794 -2.697 3.887) 7.480 19.055 ( 8.294 -5.661 -0.121) 10.042 19.097 ( 5.778 0.164 8.248) 10.072 19.420 ( -1.209 -0.859 -1.423) 2.055 20.066 ( 2.298 -7.360 9.869) 12.524 20.364 ( 6.307 -9.794 1.374) 11.730 21.083 ( -13.929 10.033 1.624) 17.243 21.214 ( -11.942 8.569 -3.929) 15.214 21.506 ( -14.897 2.720 5.291) 16.041 22.097 ( -20.524 -3.396 -18.625) 27.922 ======================= Grid point 323 (107/144) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( -1.851 14.781 -1.091) 14.937 4.239 ( -9.356 12.462 -6.745) 16.981 4.758 ( 8.879 4.777 2.611) 10.415 5.056 ( -4.622 0.548 -8.620) 9.796 5.663 ( 3.425 -5.881 10.962) 12.902 5.836 ( 1.615 -6.838 6.382) 9.492 5.992 ( 4.634 -3.470 -0.029) 5.789 6.074 ( -3.536 -0.708 -0.432) 3.632 6.438 ( 2.148 -0.193 -3.768) 4.342 6.540 ( -2.073 2.717 -10.298) 10.850 7.420 ( 10.240 0.040 17.602) 20.364 7.726 ( -0.860 -15.921 7.316) 17.543 8.132 ( 23.298 -10.493 -2.013) 25.630 8.276 ( 5.528 6.818 -1.683) 8.937 8.546 ( 11.517 1.569 3.035) 12.013 8.778 ( -5.128 4.658 18.293) 19.561 9.072 ( 3.284 0.138 15.614) 15.956 9.166 ( -11.175 3.797 -12.670) 17.316 9.656 ( -6.059 -0.494 -22.982) 23.772 9.856 ( -0.617 1.988 -4.055) 4.558 10.000 ( -15.419 -1.767 -10.262) 18.606 10.216 ( -2.922 1.514 -12.123) 12.562 10.477 ( -4.828 1.169 10.819) 11.905 10.928 ( -9.222 -9.339 -5.714) 14.315 11.070 ( -3.595 6.998 -1.505) 8.010 11.193 ( -12.001 4.980 -4.385) 13.713 11.829 ( 17.000 -2.483 6.952) 18.534 12.202 ( 17.423 4.706 -9.988) 20.627 12.441 ( -9.292 -0.100 10.432) 13.971 12.889 ( -9.348 -2.265 -9.455) 13.487 13.444 ( -2.702 -5.379 0.009) 6.019 13.486 ( -1.575 6.832 5.629) 8.991 13.687 ( -1.635 -0.154 1.229) 2.051 13.815 ( -2.596 9.350 -5.058) 10.943 14.045 ( 6.524 6.025 4.509) 9.960 14.355 ( 8.991 -3.825 -0.686) 9.795 14.456 ( -4.404 0.464 -2.176) 4.934 14.634 ( 1.760 9.555 -8.731) 13.062 14.712 ( -4.112 9.808 -4.478) 11.539 14.981 ( -11.461 -5.401 -8.050) 15.011 15.255 ( 2.667 9.001 -6.429) 11.378 15.443 ( -7.910 14.211 -13.053) 20.854 15.911 ( 12.125 -18.451 11.969) 25.114 16.129 ( 1.912 -20.747 4.099) 21.234 16.638 ( 16.164 2.780 12.892) 20.862 16.940 ( 3.330 -8.854 0.272) 9.464 17.711 ( 14.405 -3.321 6.273) 16.059 17.891 ( 12.712 11.756 13.702) 22.081 18.014 ( 1.390 -7.950 -5.477) 9.754 18.408 ( -10.201 6.845 -7.593) 14.442 18.920 ( 12.769 -8.381 13.418) 20.331 19.226 ( 7.101 -4.170 4.471) 9.371 19.260 ( 8.989 -2.329 4.191) 10.188 19.441 ( 2.539 -3.607 -1.047) 4.533 20.077 ( 0.111 -10.232 15.874) 18.886 20.365 ( -7.101 -12.205 11.124) 17.976 20.863 ( -7.417 12.969 -2.573) 15.161 20.993 ( -10.809 11.130 -5.195) 16.362 21.325 ( -1.812 4.528 -12.839) 13.734 21.719 ( -18.178 -0.986 -21.889) 28.470 ======================= Grid point 324 (108/144) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -3.090 14.803 -4.517) 15.782 4.116 ( 3.090 14.803 -4.517) 15.782 4.926 ( -8.340 2.599 -4.476) 9.816 4.926 ( 8.340 2.599 -4.476) 9.816 5.764 ( -6.390 -6.728 6.033) 11.067 5.764 ( 6.390 -6.728 6.033) 11.067 6.051 ( -1.324 -2.476 1.631) 3.247 6.051 ( 1.324 -2.476 1.631) 3.247 6.487 ( -2.836 3.103 -5.135) 6.636 6.487 ( 2.836 3.103 -5.135) 6.636 7.621 ( -9.571 -6.788 16.569) 20.303 7.621 ( 9.571 -6.788 16.569) 20.303 8.368 ( -2.190 -4.787 2.830) 5.977 8.368 ( 2.190 -4.787 2.830) 5.977 8.833 ( -5.343 -1.708 0.879) 5.678 8.833 ( 5.343 -1.708 0.879) 5.678 8.905 ( -5.746 3.605 -1.761) 7.009 8.905 ( 5.746 3.605 -1.761) 7.009 9.698 ( -10.427 -1.491 -13.765) 17.332 9.698 ( 10.427 -1.491 -13.765) 17.332 10.021 ( -11.884 7.245 -7.185) 15.663 10.021 ( 11.884 7.245 -7.185) 15.663 10.658 ( -17.341 -4.203 0.796) 17.861 10.658 ( 17.341 -4.203 0.796) 17.861 11.072 ( -2.659 4.199 -3.570) 6.120 11.072 ( 2.659 4.199 -3.570) 6.120 12.153 ( -15.577 -5.328 12.063) 20.410 12.153 ( 15.577 -5.328 12.063) 20.410 12.603 ( -18.371 7.157 -6.363) 20.717 12.603 ( 18.371 7.157 -6.363) 20.717 13.434 ( -3.060 -5.758 -3.747) 7.521 13.434 ( 3.060 -5.758 -3.747) 7.521 13.730 ( -4.675 9.994 0.706) 11.056 13.730 ( 4.675 9.994 0.706) 11.056 14.232 ( -11.074 4.547 5.817) 13.310 14.232 ( 11.074 4.547 5.817) 13.310 14.605 ( -7.203 3.591 -3.477) 8.768 14.605 ( 7.203 3.591 -3.477) 8.768 14.749 ( -10.766 0.624 -15.062) 18.525 14.749 ( 10.766 0.624 -15.062) 18.525 15.326 ( -4.670 12.205 -7.789) 15.213 15.326 ( 4.670 12.205 -7.789) 15.213 16.089 ( -5.990 -21.038 9.338) 23.784 16.089 ( 5.990 -21.038 9.338) 23.784 16.886 ( -8.733 -3.465 7.793) 12.207 16.886 ( 8.733 -3.465 7.793) 12.207 17.925 ( -7.242 -8.362 -0.778) 11.090 17.925 ( 7.242 -8.362 -0.778) 11.090 18.171 ( -12.980 12.707 3.527) 18.504 18.171 ( 12.980 12.707 3.527) 18.504 19.169 ( -10.552 -7.507 11.499) 17.318 19.169 ( 10.552 -7.507 11.499) 17.318 19.436 ( -5.578 -4.024 0.783) 6.922 19.436 ( 5.578 -4.024 0.783) 6.922 20.164 ( -10.056 -11.030 17.340) 22.879 20.164 ( 10.056 -11.030 17.340) 22.879 20.836 ( -4.354 13.517 -5.558) 15.250 20.836 ( 4.354 13.517 -5.558) 15.250 21.430 ( -11.292 1.872 -22.308) 25.073 21.430 ( 11.292 1.872 -22.308) 25.073 ======================= Grid point 330 (109/144) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 0.000 12.467 24.920) 27.865 4.303 ( 0.000 18.173 32.444) 37.186 4.860 ( 0.000 6.416 -14.449) 15.810 5.072 ( 0.000 -4.393 13.100) 13.817 5.479 ( 0.000 -6.241 7.560) 9.803 5.700 ( 0.000 7.810 -27.250) 28.347 5.707 ( 0.000 7.180 0.119) 7.181 5.897 ( 0.000 5.492 -17.926) 18.749 6.311 ( 0.000 -21.591 -2.661) 21.754 6.330 ( 0.000 -8.293 -8.084) 11.581 6.842 ( 0.000 -10.385 6.605) 12.308 7.488 ( 0.000 -15.058 -19.224) 24.419 7.546 ( 0.000 15.841 12.729) 20.322 8.149 ( 0.000 -0.356 -14.395) 14.399 8.624 ( 0.000 2.873 19.673) 19.882 8.705 ( 0.000 -4.863 0.398) 4.879 8.892 ( 0.000 1.672 24.337) 24.394 9.287 ( 0.000 -2.237 15.688) 15.846 9.699 ( 0.000 9.868 5.516) 11.305 10.128 ( 0.000 6.633 -9.107) 11.266 10.142 ( 0.000 13.383 -7.230) 15.211 10.935 ( 0.000 -1.614 -5.656) 5.882 11.030 ( 0.000 -6.107 -0.669) 6.143 11.087 ( 0.000 5.959 -5.214) 7.918 11.593 ( 0.000 -3.875 8.218) 9.086 11.777 ( 0.000 -12.445 -6.306) 13.951 12.048 ( 0.000 -2.657 -16.001) 16.220 12.633 ( 0.000 -2.320 -9.099) 9.390 12.758 ( 0.000 -11.039 12.616) 16.764 13.077 ( 0.000 -23.903 -9.958) 25.894 13.291 ( 0.000 5.553 1.331) 5.711 13.319 ( 0.000 9.759 3.853) 10.492 13.563 ( 0.000 17.410 -4.367) 17.949 13.750 ( 0.000 8.281 -13.254) 15.628 13.825 ( 0.000 -5.302 2.495) 5.860 14.081 ( 0.000 -5.109 -5.153) 7.257 14.260 ( 0.000 7.750 2.781) 8.234 14.364 ( 0.000 11.220 -1.916) 11.383 14.859 ( 0.000 6.294 8.936) 10.930 15.071 ( 0.000 -2.556 10.985) 11.279 15.289 ( 0.000 0.165 -10.253) 10.254 15.409 ( 0.000 -3.794 2.490) 4.538 15.720 ( 0.000 13.059 16.801) 21.280 15.999 ( 0.000 6.038 -7.986) 10.012 16.317 ( 0.000 -2.982 -3.285) 4.437 16.367 ( 0.000 -2.892 -16.566) 16.816 16.918 ( 0.000 12.389 2.638) 12.667 16.985 ( 0.000 1.202 18.409) 18.449 17.673 ( 0.000 -1.541 -10.123) 10.239 18.015 ( 0.000 -21.255 1.610) 21.316 18.323 ( 0.000 -0.916 -20.640) 20.660 18.468 ( 0.000 -7.552 -9.430) 12.081 19.268 ( 0.000 -0.974 8.375) 8.431 19.420 ( 0.000 -5.047 2.694) 5.721 19.838 ( 0.000 -1.102 5.062) 5.181 19.958 ( 0.000 -2.840 0.073) 2.841 21.721 ( 0.000 6.277 5.223) 8.166 21.818 ( 0.000 10.410 2.089) 10.617 22.078 ( 0.000 -1.859 15.469) 15.580 22.650 ( 0.000 -11.965 -10.733) 16.074 ======================= Grid point 331 (110/144) ======================= q-point: ( 0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 7.896 12.244 22.894) 27.137 4.382 ( 7.381 15.847 28.705) 33.610 4.855 ( -0.692 7.251 -13.344) 15.203 5.083 ( 1.067 -2.406 10.238) 10.571 5.489 ( 0.095 -6.516 9.058) 11.159 5.578 ( -3.085 3.107 -7.321) 8.531 5.832 ( 3.263 7.048 -20.012) 21.466 6.029 ( 12.925 5.412 -9.989) 17.208 6.256 ( -4.040 -19.336 -5.573) 20.525 6.298 ( -3.063 -8.584 -8.277) 12.312 6.866 ( 2.552 -9.503 6.918) 12.028 7.408 ( -4.361 -3.800 -6.205) 8.483 7.659 ( 7.401 4.409 0.192) 8.617 8.135 ( -0.634 2.205 -13.584) 13.777 8.645 ( 2.491 2.632 16.588) 16.979 8.721 ( 0.462 -3.626 6.558) 7.508 8.831 ( -4.638 1.455 18.802) 19.420 9.323 ( 3.124 -1.908 15.330) 15.762 9.718 ( 1.172 8.173 0.013) 8.257 10.029 ( -1.745 11.763 -1.491) 11.985 10.273 ( 5.230 7.162 -9.749) 13.179 10.817 ( -11.795 -5.011 3.239) 13.218 10.965 ( -5.772 -6.574 -1.571) 8.888 11.099 ( 0.706 2.156 -7.088) 7.443 11.569 ( -9.595 -9.184 0.993) 13.319 11.657 ( -3.427 8.085 -15.720) 18.006 12.044 ( -0.647 -6.366 -4.559) 7.857 12.562 ( -7.086 -5.426 -6.655) 11.133 12.801 ( 1.773 -6.719 1.977) 7.225 13.047 ( -15.353 3.627 -1.175) 15.820 13.153 ( -14.213 1.101 -1.290) 14.313 13.247 ( 9.611 -17.054 -5.541) 20.345 13.500 ( 0.589 15.403 4.054) 15.938 13.815 ( 9.267 -2.318 -9.011) 13.132 14.050 ( 15.521 3.384 3.941) 16.368 14.171 ( 0.165 5.937 1.406) 6.103 14.281 ( -5.633 11.764 -1.150) 13.094 14.375 ( 13.879 1.372 -7.092) 15.647 14.936 ( 4.736 0.363 9.183) 10.339 15.152 ( 6.633 3.159 6.114) 9.558 15.296 ( -1.066 0.120 -0.141) 1.082 15.347 ( -1.314 -7.748 -4.830) 9.224 15.754 ( 0.858 14.275 9.536) 17.188 16.012 ( 1.914 6.230 -1.933) 6.798 16.256 ( -5.464 -0.255 -6.956) 8.849 16.366 ( 0.273 -6.121 -11.744) 13.246 16.958 ( 5.245 10.123 7.756) 13.789 17.116 ( 12.328 3.299 15.319) 19.938 17.685 ( 1.493 -4.117 -8.708) 9.747 18.037 ( 1.853 -20.483 -0.198) 20.568 18.399 ( 8.107 -0.121 -17.008) 18.841 18.545 ( 7.375 -6.523 -9.700) 13.821 19.233 ( -2.605 1.434 9.373) 9.834 19.453 ( 1.800 -4.755 -0.109) 5.085 19.848 ( 1.004 -2.761 5.522) 6.255 19.970 ( 1.759 -4.642 0.836) 5.034 21.667 ( -5.547 6.805 4.588) 9.906 21.765 ( -5.455 10.791 1.233) 12.155 22.002 ( -7.722 -1.617 14.492) 16.500 22.561 ( -8.994 -11.234 -11.146) 18.202 ======================= Grid point 332 (111/144) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 10.517 13.116 15.484) 22.856 4.542 ( 8.148 9.877 22.432) 25.829 4.825 ( -2.387 11.026 -11.873) 16.378 5.108 ( 1.438 1.318 3.957) 4.411 5.458 ( -2.669 -7.005 12.029) 14.173 5.590 ( 3.235 -4.030 0.523) 5.194 5.839 ( -2.545 0.554 -9.757) 10.099 6.179 ( -2.982 -7.789 -9.363) 12.539 6.228 ( 3.619 -9.690 -8.734) 13.538 6.366 ( 13.405 2.611 -10.223) 17.059 6.946 ( 6.062 -8.436 5.420) 11.717 7.341 ( -2.761 -8.135 -6.214) 10.603 7.788 ( 5.966 8.423 3.102) 10.778 8.164 ( 4.163 6.403 -10.475) 12.964 8.642 ( -6.795 1.212 17.416) 18.734 8.728 ( 5.459 0.721 18.093) 18.912 8.828 ( 4.388 1.134 2.118) 5.003 9.404 ( 5.847 -1.698 6.549) 8.942 9.703 ( -3.555 10.517 -4.917) 12.142 10.066 ( 3.719 8.107 7.943) 11.943 10.308 ( -1.657 -2.321 -13.874) 14.164 10.529 ( -16.758 -5.565 7.860) 19.328 10.822 ( -10.827 -5.832 -6.995) 14.148 11.002 ( -11.768 -11.309 -5.549) 17.239 11.414 ( 0.173 2.842 -4.884) 5.653 11.668 ( 1.760 14.257 -12.069) 18.762 11.941 ( -12.286 3.024 -0.581) 12.666 12.300 ( -17.604 6.628 -11.839) 22.226 12.739 ( -14.087 -1.138 3.867) 14.652 12.806 ( 0.977 -9.497 2.013) 9.757 13.054 ( 3.901 -11.483 -3.622) 12.658 13.432 ( 8.425 -16.473 -11.559) 21.816 13.621 ( 9.929 15.915 11.764) 22.142 14.021 ( 10.134 3.873 -8.386) 13.712 14.108 ( -3.837 5.888 0.675) 7.060 14.195 ( -3.641 13.420 -2.887) 14.202 14.349 ( 14.881 -0.972 9.521) 17.693 14.620 ( 7.613 -1.924 -4.681) 9.142 14.962 ( -1.738 6.181 2.282) 6.814 15.210 ( -1.887 -6.435 -1.524) 6.877 15.274 ( 4.832 2.827 0.993) 5.686 15.469 ( 8.384 -13.197 -3.409) 16.003 15.681 ( -7.490 17.996 3.806) 19.860 16.066 ( -1.505 9.326 -0.515) 9.460 16.171 ( 2.515 1.020 -1.362) 3.036 16.415 ( 5.248 -11.130 -6.454) 13.895 17.120 ( 11.120 4.687 9.819) 15.557 17.423 ( 18.853 5.308 13.253) 23.649 17.728 ( 2.630 -7.670 -6.017) 10.097 18.096 ( 5.258 -18.823 1.619) 19.611 18.606 ( 12.207 1.853 -11.494) 16.868 18.727 ( 11.256 -4.713 -9.293) 15.339 19.186 ( -2.313 5.600 10.061) 11.744 19.451 ( -1.984 -1.576 -1.645) 3.021 19.870 ( 0.958 -7.220 6.952) 10.069 20.036 ( 4.764 -9.894 1.214) 11.048 21.515 ( -10.018 8.489 2.797) 13.426 21.618 ( -9.560 11.455 -1.227) 14.971 21.801 ( -12.559 -0.564 10.926) 16.656 22.322 ( -15.379 -9.241 -12.590) 21.918 ======================= Grid point 333 (112/144) ======================= q-point: ( 0.30 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.416 ( 4.983 15.347 5.892) 17.178 4.627 ( -1.214 8.805 14.076) 16.647 4.810 ( 2.684 14.315 -8.669) 16.950 5.130 ( 0.467 3.866 -2.099) 4.424 5.428 ( 0.531 -10.671 18.555) 21.412 5.656 ( 2.460 -8.384 2.992) 9.235 5.805 ( 1.099 -5.158 -4.278) 6.791 6.085 ( -5.191 -8.246 -8.963) 13.240 6.356 ( 7.733 0.680 -5.732) 9.649 6.585 ( 7.060 3.598 -9.799) 12.602 7.098 ( 9.328 -9.951 4.543) 14.376 7.316 ( 1.108 -15.995 -3.853) 16.490 7.914 ( 8.125 14.230 6.617) 17.672 8.288 ( 8.734 6.125 -6.683) 12.588 8.525 ( -4.360 2.276 17.974) 18.635 8.863 ( 7.282 0.584 7.929) 10.781 8.952 ( 7.821 5.287 6.344) 11.374 9.522 ( -4.461 1.802 -6.077) 7.751 9.577 ( 0.293 6.344 -1.793) 6.599 10.067 ( -5.643 0.466 -4.487) 7.224 10.214 ( -10.557 -5.280 -17.220) 20.877 10.248 ( -10.087 -4.069 10.003) 14.777 10.519 ( -15.724 -6.859 -9.220) 19.476 10.817 ( -6.760 -14.860 -5.903) 17.360 11.492 ( -3.600 6.115 5.832) 9.185 11.603 ( -3.682 6.710 -0.989) 7.718 11.638 ( -12.369 14.637 -1.064) 19.193 12.141 ( 1.499 7.736 -14.090) 16.144 12.551 ( -4.536 0.024 4.042) 6.076 12.829 ( 1.311 -7.008 -6.429) 9.600 13.203 ( 9.112 -15.072 -0.209) 17.613 13.553 ( 2.345 -13.502 -7.775) 15.756 13.785 ( 6.042 20.334 11.241) 24.007 14.061 ( -0.411 2.412 1.808) 3.042 14.127 ( -0.990 17.420 -6.229) 18.526 14.193 ( 6.467 4.794 -3.101) 8.626 14.541 ( -1.793 -0.940 5.274) 5.649 14.673 ( 6.560 -5.840 6.189) 10.744 14.920 ( -2.497 14.039 -9.074) 16.902 15.196 ( -1.979 -1.739 -14.510) 14.747 15.368 ( 3.546 -6.864 6.775) 10.276 15.480 ( -4.036 7.142 2.910) 8.705 15.640 ( 2.881 -11.132 3.603) 12.050 15.947 ( -7.458 14.948 -10.656) 19.814 16.358 ( 12.964 -2.484 7.698) 15.281 16.562 ( 9.403 -12.950 -3.718) 16.429 17.348 ( 11.702 -4.101 7.772) 14.634 17.731 ( 3.441 -12.288 -10.701) 16.654 17.838 ( 17.606 7.753 19.467) 27.369 18.267 ( 12.597 -12.938 5.137) 18.774 18.802 ( 6.403 5.267 -4.417) 9.394 18.962 ( 12.856 -1.999 -5.205) 14.013 19.163 ( 1.038 6.616 9.165) 11.351 19.398 ( -2.994 -0.317 -0.292) 3.024 19.869 ( -1.444 -12.001 10.215) 15.826 20.115 ( 2.267 -14.811 2.504) 15.191 21.305 ( -11.036 11.120 -0.118) 15.668 21.416 ( -11.059 11.087 -3.919) 16.143 21.561 ( -11.307 2.211 2.358) 11.760 22.000 ( -17.558 -6.356 -15.212) 24.085 ======================= Grid point 334 (113/144) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 0.207 17.413 2.891) 17.653 4.546 ( -5.105 17.048 5.957) 18.767 4.903 ( 6.098 10.352 -6.379) 13.603 5.110 ( -2.840 5.233 -5.845) 8.343 5.481 ( 4.647 -11.943 15.432) 20.060 5.663 ( -1.958 -10.933 5.582) 12.431 5.875 ( 4.539 -7.930 -3.821) 9.904 5.996 ( -3.823 -6.740 -6.071) 9.844 6.500 ( 6.880 5.885 -1.664) 9.205 6.631 ( -0.603 6.021 -6.865) 9.151 7.266 ( 7.465 -12.683 9.196) 17.354 7.373 ( 2.881 -19.295 4.465) 20.013 8.128 ( 14.489 10.198 3.679) 18.096 8.433 ( 1.535 8.920 2.416) 9.368 8.563 ( 12.699 -0.233 2.504) 12.946 8.903 ( -3.519 7.794 9.043) 12.446 9.093 ( 2.948 1.944 12.044) 12.551 9.261 ( -14.554 5.972 -10.216) 18.758 9.642 ( -2.300 -1.388 -15.759) 15.987 9.850 ( -14.513 -2.070 -16.649) 22.183 9.993 ( -3.088 -0.309 -9.737) 10.220 10.158 ( -2.056 -6.323 -9.263) 11.403 10.354 ( -2.214 -12.604 8.141) 15.167 10.685 ( -8.527 -14.879 -4.132) 17.640 11.297 ( -6.628 13.363 0.650) 14.931 11.382 ( -9.738 14.304 -3.602) 17.675 11.797 ( 11.881 -0.639 10.052) 15.576 12.139 ( -4.278 -8.376 -0.210) 9.407 12.612 ( 10.060 13.633 -0.990) 16.972 12.874 ( 2.670 1.803 -8.587) 9.172 13.313 ( 1.354 -7.604 -1.260) 7.826 13.475 ( -8.844 -6.119 -3.221) 11.226 13.869 ( 3.991 16.013 6.610) 17.778 14.036 ( -2.907 10.287 0.312) 10.694 14.180 ( 5.704 6.048 0.651) 8.339 14.352 ( 9.218 5.652 3.659) 11.415 14.414 ( -5.147 -3.318 -0.221) 6.128 14.807 ( 1.913 -3.779 1.250) 4.416 14.875 ( -1.469 11.271 -14.428) 18.368 15.039 ( -10.801 16.271 -6.536) 20.594 15.451 ( 5.481 -9.506 2.103) 11.173 15.500 ( 4.354 2.585 0.085) 5.064 15.653 ( -1.511 -24.052 5.927) 24.817 15.804 ( -7.554 12.462 -8.808) 17.028 16.606 ( 11.771 -4.409 4.687) 13.415 16.728 ( 6.507 -10.054 -2.349) 12.205 17.538 ( 7.791 -13.871 3.508) 16.292 17.718 ( -2.486 -18.113 -5.195) 19.006 18.207 ( 18.013 13.863 15.653) 27.598 18.515 ( 9.139 1.477 3.566) 9.921 18.857 ( 3.440 5.804 12.306) 14.034 19.156 ( 3.234 -1.187 2.057) 4.013 19.242 ( 6.447 0.446 4.402) 7.819 19.357 ( -0.249 -3.472 -1.470) 3.779 19.828 ( -1.129 -14.690 14.566) 20.718 20.082 ( -6.232 -16.010 7.783) 18.861 21.136 ( -5.689 13.254 -4.169) 15.014 21.219 ( -8.786 10.857 -5.390) 14.971 21.416 ( -2.879 3.828 -10.324) 11.381 21.682 ( -14.829 -2.951 -18.042) 23.540 ======================= Grid point 335 (114/144) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( -2.285 19.185 3.808) 19.693 4.472 ( 2.285 19.185 3.808) 19.693 5.023 ( -5.899 7.383 -6.902) 11.703 5.023 ( 5.899 7.383 -6.903) 11.703 5.585 ( -5.510 -11.403 8.588) 15.302 5.585 ( 5.510 -11.403 8.588) 15.302 5.940 ( -2.480 -7.864 -4.404) 9.348 5.940 ( 2.480 -7.864 -4.404) 9.348 6.598 ( -3.133 7.563 -1.949) 8.415 6.598 ( 3.133 7.563 -1.949) 8.415 7.371 ( -3.184 -16.710 11.275) 20.408 7.371 ( 3.184 -16.710 11.275) 20.408 8.386 ( -8.438 7.444 2.047) 11.437 8.386 ( 8.438 7.444 2.047) 11.437 8.827 ( -7.245 0.219 3.776) 8.173 8.827 ( 7.245 0.219 3.776) 8.173 9.027 ( -3.315 8.638 -2.888) 9.692 9.027 ( 3.315 8.638 -2.888) 9.692 9.664 ( -6.558 -2.803 -14.483) 16.144 9.664 ( 6.558 -2.803 -14.483) 16.144 10.047 ( -7.223 -3.169 -10.249) 12.932 10.047 ( 7.223 -3.169 -10.249) 12.932 10.480 ( -11.704 -14.054 1.673) 18.366 10.480 ( 11.704 -14.054 1.673) 18.366 11.266 ( -2.535 14.314 -2.781) 14.801 11.266 ( 2.535 14.314 -2.781) 14.801 12.003 ( -9.257 -8.340 7.500) 14.543 12.003 ( 9.257 -8.340 7.500) 14.543 12.829 ( -9.239 13.589 -1.926) 16.545 12.829 ( 9.239 13.589 -1.926) 16.545 13.331 ( -4.181 -4.342 -4.254) 7.377 13.331 ( 4.181 -4.342 -4.254) 7.377 13.957 ( -4.909 12.251 2.669) 13.465 13.957 ( 4.909 12.251 2.669) 13.465 14.288 ( -5.293 1.118 3.371) 6.374 14.288 ( 5.293 1.118 3.371) 6.374 14.628 ( -14.952 -1.306 -1.446) 15.079 14.628 ( 14.952 -1.306 -1.446) 15.079 14.916 ( -3.545 16.434 -10.012) 19.568 14.916 ( 3.545 16.434 -10.012) 19.568 15.546 ( -3.428 -8.866 1.576) 9.635 15.546 ( 3.428 -8.866 1.576) 9.635 15.664 ( -6.056 -4.311 -1.551) 7.593 15.664 ( 6.056 -4.311 -1.551) 7.593 16.762 ( -3.534 -6.277 0.654) 7.233 16.762 ( 3.534 -6.277 0.654) 7.233 17.651 ( -4.457 -19.102 -1.145) 19.648 17.651 ( 4.457 -19.102 -1.145) 19.648 18.485 ( -10.049 17.365 9.844) 22.348 18.485 ( 10.049 17.365 9.844) 22.348 19.042 ( -11.948 -4.413 12.972) 18.180 19.042 ( 11.948 -4.413 12.972) 18.180 19.346 ( -3.316 -3.752 -0.847) 5.079 19.346 ( 3.316 -3.752 -0.847) 5.079 19.910 ( -9.341 -14.467 13.368) 21.800 19.910 ( 9.341 -14.467 13.368) 21.800 21.106 ( -2.515 12.817 -6.353) 14.524 21.106 ( 2.515 12.817 -6.353) 14.524 21.462 ( -7.446 0.772 -17.757) 19.271 21.462 ( 7.446 0.772 -17.757) 19.271 ======================= Grid point 341 (115/144) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 0.000 17.279 22.318) 28.225 4.577 ( 0.000 -2.617 25.550) 25.684 4.849 ( 0.000 8.217 6.789) 10.659 5.213 ( 0.000 -19.592 9.585) 21.811 5.284 ( 0.000 21.462 -0.336) 21.465 5.710 ( 0.000 -16.393 -3.596) 16.783 5.836 ( 0.000 6.127 1.358) 6.275 5.943 ( 0.000 7.321 -26.134) 27.140 5.995 ( 0.000 -8.798 0.321) 8.804 6.155 ( 0.000 -9.768 -18.465) 20.890 6.826 ( 0.000 9.840 -10.624) 14.481 7.131 ( 0.000 -18.631 -18.759) 26.439 7.879 ( 0.000 15.956 4.354) 16.539 8.113 ( 0.000 -6.363 -4.551) 7.823 8.635 ( 0.000 -1.082 -2.291) 2.534 8.645 ( 0.000 -0.713 5.021) 5.071 8.997 ( 0.000 9.017 25.589) 27.131 9.201 ( 0.000 -8.954 25.091) 26.641 9.869 ( 0.000 13.815 -1.461) 13.892 10.183 ( 0.000 -11.780 -2.854) 12.121 10.438 ( 0.000 19.629 8.569) 21.418 10.773 ( 0.000 -11.929 5.516) 13.143 11.033 ( 0.000 6.411 2.664) 6.942 11.172 ( 0.000 -1.021 -4.370) 4.487 11.541 ( 0.000 -2.810 9.759) 10.155 11.548 ( 0.000 -7.262 -1.676) 7.453 12.130 ( 0.000 12.739 -34.996) 37.242 12.476 ( 0.000 -16.708 -27.370) 32.066 12.628 ( 0.000 -1.896 8.375) 8.587 12.686 ( 0.000 -10.012 3.100) 10.481 13.422 ( 0.000 7.419 0.623) 7.446 13.521 ( 0.000 9.396 -3.397) 9.991 13.585 ( 0.000 -6.721 0.793) 6.768 13.723 ( 0.000 -8.223 -8.544) 11.859 13.969 ( 0.000 9.637 -1.626) 9.773 14.050 ( 0.000 -0.357 -1.733) 1.770 14.432 ( 0.000 10.194 5.186) 11.437 14.547 ( 0.000 3.007 -0.233) 3.016 14.960 ( 0.000 2.542 3.360) 4.213 14.986 ( 0.000 -3.270 4.592) 5.637 15.325 ( 0.000 1.504 0.336) 1.541 15.341 ( 0.000 -1.894 3.476) 3.958 15.934 ( 0.000 8.853 7.746) 11.763 16.079 ( 0.000 -2.069 -6.742) 7.052 16.228 ( 0.000 -1.622 -0.654) 1.748 16.282 ( 0.000 -4.273 -11.310) 12.090 17.122 ( 0.000 11.066 18.120) 21.232 17.173 ( 0.000 10.412 7.379) 12.762 17.565 ( 0.000 -7.878 -11.067) 13.585 17.609 ( 0.000 -16.699 -2.651) 16.908 18.326 ( 0.000 1.101 -18.638) 18.671 18.365 ( 0.000 -3.067 -15.309) 15.613 19.266 ( 0.000 1.121 6.244) 6.344 19.321 ( 0.000 -4.324 4.279) 6.084 19.838 ( 0.000 1.366 5.299) 5.472 19.890 ( 0.000 -3.516 3.065) 4.664 21.843 ( 0.000 5.699 7.390) 9.332 21.928 ( 0.000 -1.668 8.261) 8.427 22.145 ( 0.000 10.571 1.322) 10.653 22.395 ( 0.000 -13.290 -5.751) 14.481 ======================= Grid point 342 (116/144) ======================= q-point: ( 0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( 6.169 15.636 22.099) 27.765 4.604 ( 2.552 -3.107 24.210) 24.541 4.905 ( 5.333 9.611 4.932) 12.047 5.241 ( 2.476 -15.784 8.793) 18.237 5.285 ( -0.244 17.265 -3.191) 17.559 5.595 ( -7.278 -5.870 -3.513) 9.988 5.903 ( -1.601 -4.907 -8.673) 10.092 5.933 ( -2.652 -8.373 -4.116) 9.700 6.032 ( 8.682 3.575 -7.388) 11.947 6.165 ( 3.154 -6.633 -15.180) 16.864 6.867 ( 3.727 9.561 -10.443) 14.641 7.143 ( 0.526 -16.270 -16.761) 23.365 7.915 ( 4.019 14.738 3.600) 15.695 8.129 ( 1.978 -5.388 -4.105) 7.056 8.659 ( 2.075 -0.921 0.009) 2.270 8.665 ( 1.804 -0.844 6.163) 6.477 8.956 ( -2.856 10.816 21.032) 23.823 9.202 ( 0.606 -11.452 18.627) 21.874 9.904 ( 3.052 14.536 -3.472) 15.253 10.200 ( 1.493 -7.915 -3.794) 8.904 10.394 ( -5.551 12.619 11.394) 17.885 10.667 ( -10.295 -10.745 10.758) 18.362 10.919 ( -9.554 5.579 0.087) 11.064 11.082 ( -9.222 -6.247 -5.098) 12.249 11.521 ( 1.063 5.719 -2.497) 6.330 11.720 ( 11.340 -10.009 7.562) 16.910 12.034 ( -5.678 14.489 -26.660) 30.869 12.364 ( -4.767 -14.193 -10.891) 18.515 12.745 ( 5.950 0.173 -5.463) 8.080 12.847 ( 10.429 -11.914 -10.276) 18.876 13.201 ( -22.340 4.676 -0.093) 22.824 13.228 ( -24.325 2.287 -1.215) 24.462 13.623 ( 6.746 0.602 0.524) 6.794 13.686 ( 10.250 -6.378 -1.675) 12.189 14.185 ( 10.986 6.402 -0.350) 12.720 14.280 ( 11.098 -3.235 -3.028) 11.950 14.431 ( 1.670 16.857 5.501) 17.810 14.602 ( 6.497 8.015 -3.193) 10.801 14.897 ( -1.968 -2.279 6.418) 7.089 15.032 ( -0.146 -11.625 0.848) 11.657 15.326 ( 0.195 2.700 3.465) 4.397 15.339 ( 0.969 2.730 0.549) 2.949 15.976 ( 3.382 6.919 1.763) 7.901 16.071 ( 0.402 -1.727 -3.923) 4.305 16.230 ( -1.271 -0.211 1.166) 1.738 16.250 ( -2.574 -3.580 -7.694) 8.868 17.205 ( 4.921 13.521 9.204) 17.081 17.246 ( 10.506 8.730 12.724) 18.668 17.538 ( -1.304 -9.057 -8.467) 12.467 17.627 ( 1.587 -18.681 -1.634) 18.820 18.418 ( 9.194 1.551 -15.939) 18.465 18.457 ( 8.837 -2.678 -13.871) 16.663 19.281 ( 1.855 3.330 6.033) 7.137 19.359 ( 3.458 -4.464 2.608) 6.220 19.817 ( -2.209 0.371 5.582) 6.014 19.871 ( -1.859 -4.639 3.421) 6.056 21.796 ( -4.894 5.829 6.564) 10.050 21.882 ( -4.756 -1.807 7.648) 9.186 22.072 ( -7.471 10.910 0.282) 13.225 22.319 ( -7.728 -12.841 -6.351) 16.277 ======================= Grid point 343 (117/144) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( 9.943 11.598 19.801) 25.009 4.663 ( 3.378 -0.992 21.585) 21.871 5.024 ( 6.343 11.203 0.202) 12.876 5.263 ( -1.597 13.530 -5.201) 14.583 5.282 ( 0.610 -11.694 5.790) 13.063 5.484 ( -3.764 -7.315 -0.505) 8.242 5.776 ( -6.808 -2.273 -3.252) 7.880 5.908 ( -2.616 -14.229 -12.090) 18.854 6.215 ( 10.893 4.968 -5.266) 13.079 6.334 ( 12.512 -5.401 -2.362) 13.832 6.943 ( 3.695 6.749 -10.049) 12.656 7.129 ( -2.012 -10.976 -12.463) 16.729 8.032 ( 7.781 12.492 3.762) 15.190 8.199 ( 5.232 -3.507 -0.846) 6.355 8.667 ( -1.889 1.597 10.186) 10.482 8.709 ( 3.147 -2.022 7.200) 8.114 8.972 ( 6.068 12.770 5.879) 15.312 9.258 ( 5.838 -13.205 4.512) 15.126 9.937 ( -1.529 13.029 -6.952) 14.847 10.171 ( -12.760 -8.415 -1.656) 15.375 10.246 ( -1.813 8.461 11.561) 14.440 10.447 ( -11.002 -7.406 6.331) 14.696 10.719 ( -10.840 -0.227 -2.647) 11.161 10.815 ( -18.463 -7.397 -8.435) 21.604 11.579 ( 4.771 12.543 -1.367) 13.490 11.836 ( -1.956 -10.261 -3.106) 10.898 12.014 ( 1.369 16.075 -0.645) 16.146 12.289 ( -5.210 -9.116 -2.934) 10.902 12.743 ( -9.208 5.379 -6.256) 12.364 12.757 ( -16.505 2.983 -1.841) 16.873 12.893 ( -1.112 -4.708 -10.851) 11.881 13.060 ( 9.141 -17.891 -15.011) 25.079 13.842 ( 13.829 6.920 6.415) 16.742 13.971 ( 16.739 -6.094 1.640) 17.890 14.271 ( -0.978 4.224 1.165) 4.490 14.305 ( -2.269 3.263 0.298) 3.985 14.590 ( 9.142 16.139 2.737) 18.749 14.695 ( 0.271 13.180 -2.005) 13.334 14.951 ( 6.975 -10.331 0.445) 12.473 14.979 ( -3.052 -16.569 0.637) 16.860 15.331 ( -0.670 4.863 -0.419) 4.927 15.380 ( 2.945 1.569 -1.156) 3.531 16.020 ( -1.380 12.404 1.549) 12.577 16.116 ( 0.721 0.986 2.609) 2.881 16.159 ( 1.812 -6.340 -1.511) 6.765 16.232 ( 0.125 -4.346 -4.899) 6.550 17.273 ( 1.784 10.990 -0.072) 11.135 17.498 ( 1.642 -4.277 -11.221) 12.120 17.560 ( 15.444 -1.637 16.845) 22.912 17.737 ( 11.970 -14.999 9.181) 21.273 18.646 ( 13.558 1.802 -9.994) 16.939 18.675 ( 13.383 -1.360 -9.967) 16.742 19.331 ( 2.829 7.803 5.274) 9.834 19.428 ( 3.068 -1.617 0.928) 3.590 19.751 ( -4.816 -2.645 6.562) 8.559 19.830 ( -2.057 -9.403 3.736) 10.325 21.663 ( -8.630 6.175 4.000) 11.340 21.752 ( -8.641 -2.316 5.730) 10.624 21.878 ( -12.032 11.849 -2.965) 17.145 22.115 ( -13.016 -11.459 -8.142) 19.158 ======================= Grid point 344 (118/144) ======================= q-point: ( 0.30 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( 5.581 9.484 13.017) 17.046 4.742 ( 5.670 2.647 19.539) 20.517 5.124 ( 3.268 13.104 -6.700) 15.076 5.225 ( -2.353 6.365 -2.549) 7.249 5.266 ( -0.867 -4.947 8.326) 9.724 5.462 ( 1.261 -11.055 1.519) 11.230 5.689 ( -2.174 -1.497 -3.818) 4.641 5.855 ( -2.714 -13.648 -9.924) 17.092 6.440 ( 12.003 7.026 -1.681) 14.009 6.578 ( 12.070 -5.006 -0.202) 13.068 6.996 ( 1.660 0.542 -8.323) 8.504 7.083 ( -1.984 -7.572 -6.897) 10.433 8.191 ( 8.443 11.089 7.063) 15.625 8.320 ( 7.741 -2.472 4.743) 9.409 8.632 ( -0.442 8.605 9.925) 13.143 8.805 ( 6.718 -6.733 4.090) 10.353 9.152 ( 10.665 13.917 -1.107) 17.569 9.417 ( 9.619 -10.276 -5.475) 15.103 9.753 ( -17.223 7.531 1.420) 18.851 9.911 ( -10.952 -10.233 -0.723) 15.006 10.212 ( -5.749 2.026 -4.619) 7.648 10.237 ( -11.020 2.470 -8.716) 14.265 10.404 ( -21.819 -2.045 -9.716) 23.972 10.535 ( -8.377 -12.799 -2.361) 15.477 11.656 ( 0.016 8.099 6.560) 10.423 11.720 ( -5.548 2.666 0.472) 6.173 11.901 ( -11.067 12.111 2.410) 16.582 12.115 ( -10.974 -8.408 -0.444) 13.832 12.661 ( 4.447 5.644 -3.732) 8.097 12.739 ( 10.167 -2.177 0.386) 10.405 12.997 ( 9.053 0.388 -13.316) 16.107 13.239 ( 8.194 -17.067 -12.507) 22.690 14.078 ( 9.669 8.995 8.198) 15.544 14.201 ( -1.921 7.791 1.404) 8.146 14.246 ( 6.527 -4.993 3.324) 8.865 14.285 ( 0.527 1.838 -1.774) 2.608 14.625 ( -3.606 10.142 5.241) 11.972 14.730 ( 4.266 15.751 2.742) 16.547 14.929 ( -1.231 -14.893 -4.468) 15.597 15.082 ( 3.820 -16.539 -0.910) 16.999 15.314 ( -0.284 9.061 -3.760) 9.814 15.410 ( -0.061 0.343 -5.821) 5.831 15.859 ( -11.660 12.420 5.993) 18.059 16.054 ( -8.051 -6.978 -0.444) 10.663 16.316 ( 13.735 2.109 -1.888) 14.024 16.385 ( 13.653 -3.626 -4.197) 14.737 17.279 ( -0.936 0.293 -1.011) 1.409 17.440 ( -4.569 -14.277 -8.506) 17.235 17.962 ( 22.990 4.734 16.682) 28.797 18.067 ( 20.957 -6.887 12.812) 25.510 18.903 ( 12.764 4.109 -2.980) 13.736 18.949 ( 14.604 -0.647 -4.269) 15.229 19.346 ( -2.851 10.277 6.180) 12.326 19.462 ( 0.600 5.886 2.151) 6.296 19.631 ( -7.662 -8.606 8.710) 14.444 19.800 ( -1.401 -16.152 3.127) 16.511 21.486 ( -9.103 6.682 -0.495) 11.303 21.566 ( -10.154 -1.189 0.872) 10.260 21.645 ( -11.402 10.764 -6.917) 17.138 21.846 ( -14.358 -9.075 -10.828) 20.144 ======================= Grid point 345 (119/144) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( 3.757 12.825 10.830) 17.201 4.835 ( 2.755 9.624 12.445) 15.971 5.112 ( -2.621 0.560 1.361) 3.006 5.169 ( -3.561 -0.480 1.097) 3.757 5.330 ( 6.685 3.827 2.314) 8.043 5.497 ( 1.029 -1.939 -1.360) 2.583 5.677 ( 0.681 -9.071 -5.541) 10.651 5.796 ( -3.636 -12.822 -8.023) 15.556 6.656 ( 9.916 9.383 1.110) 13.696 6.756 ( 5.632 4.037 -0.724) 6.967 7.020 ( 1.511 -9.710 -0.625) 9.847 7.065 ( -0.545 -10.089 -0.190) 10.105 8.368 ( 11.049 10.596 7.158) 16.899 8.516 ( 12.614 -4.665 5.707) 14.610 8.658 ( 2.132 13.943 3.415) 14.512 8.907 ( 0.992 -8.608 2.295) 8.964 9.285 ( 0.876 16.952 1.300) 17.024 9.412 ( -12.221 8.607 -2.495) 15.155 9.572 ( -0.123 -5.897 -10.846) 12.346 9.702 ( -11.952 -15.035 -8.245) 20.902 9.975 ( -5.309 -0.034 -10.161) 11.464 10.046 ( -8.235 -6.372 -15.137) 18.373 10.172 ( -5.627 2.266 1.701) 6.300 10.372 ( -9.743 -14.917 -4.873) 18.471 11.564 ( -3.212 12.525 2.641) 13.197 11.676 ( -7.065 13.130 -3.142) 15.238 11.757 ( 0.889 -4.116 6.957) 8.132 11.940 ( -7.442 -11.474 -0.986) 13.712 12.851 ( 13.614 10.037 -0.479) 16.921 12.977 ( 11.941 3.376 0.579) 12.423 13.171 ( 7.138 -1.877 -7.008) 10.178 13.320 ( -0.842 -9.662 -6.087) 11.451 14.154 ( -1.265 9.810 2.739) 10.264 14.201 ( 3.534 6.943 6.706) 10.279 14.252 ( -1.705 0.748 1.931) 2.682 14.320 ( -1.280 -5.094 -0.141) 5.254 14.602 ( 2.435 16.331 6.017) 17.574 14.779 ( -1.697 6.284 1.970) 6.801 14.941 ( 4.166 -12.316 -0.448) 13.009 15.094 ( -1.651 -21.254 3.144) 21.549 15.326 ( 0.456 8.030 -5.050) 9.497 15.403 ( -0.132 10.474 -10.766) 15.021 15.654 ( -7.256 3.988 0.166) 8.282 15.865 ( -10.722 -9.339 -6.754) 15.742 16.609 ( 15.048 6.629 -0.615) 16.455 16.668 ( 13.925 3.371 -3.022) 14.643 17.235 ( -3.404 -11.604 -0.184) 12.094 17.330 ( -6.889 -18.077 -4.917) 19.960 18.410 ( 23.153 6.604 15.856) 28.828 18.494 ( 22.639 -2.446 12.573) 26.011 19.082 ( 1.673 10.806 9.425) 14.436 19.199 ( 6.626 5.983 0.056) 8.927 19.203 ( -7.074 -1.999 6.378) 9.733 19.441 ( -3.054 11.593 0.795) 12.015 19.505 ( -2.002 -16.892 12.530) 21.127 19.747 ( -4.910 -17.115 4.746) 18.427 21.348 ( -4.547 7.393 -6.000) 10.552 21.399 ( -6.523 4.941 -7.068) 10.813 21.468 ( -6.356 3.375 -9.322) 11.776 21.593 ( -11.387 -6.091 -13.313) 18.547 ======================= Grid point 346 (120/144) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( -2.957 16.748 9.837) 19.647 4.830 ( 2.957 16.748 9.837) 19.647 5.104 ( -2.258 -6.883 4.258) 8.403 5.104 ( 2.258 -6.883 4.258) 8.403 5.457 ( -5.293 6.392 -1.589) 8.450 5.457 ( 5.293 6.392 -1.589) 8.450 5.721 ( -3.715 -14.391 -7.893) 16.828 5.721 ( 3.715 -14.391 -7.893) 16.828 6.785 ( -2.751 11.464 0.781) 11.815 6.785 ( 2.751 11.464 0.781) 11.815 7.048 ( -1.179 -14.946 4.504) 15.654 7.048 ( 1.179 -14.946 4.504) 15.654 8.598 ( -9.802 11.651 3.079) 15.534 8.598 ( 9.802 11.651 3.079) 15.534 8.780 ( -12.301 -5.840 2.903) 13.922 8.780 ( 12.301 -5.840 2.903) 13.922 9.264 ( -2.171 14.919 -3.249) 15.422 9.264 ( 2.171 14.919 -3.249) 15.422 9.543 ( -0.618 -10.630 -9.710) 14.411 9.543 ( 0.618 -10.630 -9.710) 14.411 10.007 ( -1.514 1.721 -10.499) 10.746 10.007 ( 1.514 1.721 -10.499) 10.746 10.168 ( -9.250 -14.241 -2.529) 17.168 10.168 ( 9.250 -14.241 -2.529) 17.168 11.568 ( -3.244 14.715 -1.533) 15.146 11.568 ( 3.244 14.715 -1.533) 15.146 11.821 ( -4.978 -10.696 1.816) 11.937 11.821 ( 4.978 -10.696 1.816) 11.937 13.081 ( -5.666 10.929 -0.298) 12.314 13.081 ( 5.666 10.929 -0.298) 12.314 13.243 ( -3.209 -5.547 -2.231) 6.786 13.243 ( 3.209 -5.547 -2.231) 6.786 14.174 ( -3.297 8.337 3.362) 9.575 14.174 ( 3.297 8.337 3.362) 9.575 14.278 ( -2.890 -2.575 2.870) 4.819 14.278 ( 2.890 -2.575 2.870) 4.819 14.690 ( -5.699 10.644 2.999) 12.441 14.690 ( 5.699 10.644 2.999) 12.441 15.039 ( -4.275 -20.413 4.651) 21.368 15.039 ( 4.275 -20.413 4.651) 21.368 15.354 ( -3.569 17.660 -7.329) 19.451 15.354 ( 3.569 17.660 -7.329) 19.451 15.676 ( -7.885 -9.422 -8.875) 15.156 15.676 ( 7.885 -9.422 -8.875) 15.156 16.808 ( -2.562 13.409 -1.844) 13.776 16.808 ( 2.562 13.409 -1.844) 13.776 17.209 ( -3.344 -23.734 -1.641) 24.025 17.209 ( 3.344 -23.734 -1.641) 24.025 18.794 ( -9.496 12.403 12.835) 20.217 18.794 ( 9.496 12.403 12.835) 20.217 18.963 ( -8.998 -5.223 13.583) 17.110 18.963 ( 8.998 -5.223 13.583) 17.110 19.361 ( -6.495 7.067 1.204) 9.673 19.361 ( 6.495 7.067 1.204) 9.673 19.605 ( -9.108 -15.466 8.373) 19.806 19.605 ( 9.108 -15.466 8.373) 19.806 21.321 ( -1.539 8.600 -9.186) 12.677 21.321 ( 1.539 8.600 -9.186) 12.677 21.440 ( -3.809 -3.379 -13.048) 14.006 21.440 ( 3.809 -3.379 -13.048) 14.006 ======================= Grid point 385 (121/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( 0.000 0.000 -24.360) 24.360 4.349 ( 0.000 0.000 24.360) 24.360 4.745 ( 0.000 0.000 -40.991) 40.991 4.745 ( 0.000 0.000 40.991) 40.991 5.256 ( 0.000 0.000 -12.163) 12.163 5.256 ( 0.000 0.000 12.163) 12.163 5.524 ( 0.000 0.000 -1.313) 1.313 5.524 ( 0.000 0.000 1.313) 1.313 6.773 ( 0.000 0.000 -11.057) 11.057 6.773 ( 0.000 0.000 11.057) 11.057 7.276 ( 0.000 0.000 -15.391) 15.391 7.276 ( 0.000 0.000 15.391) 15.391 7.932 ( 0.000 0.000 -23.802) 23.802 7.932 ( 0.000 0.000 23.802) 23.802 8.878 ( 0.000 0.000 -5.105) 5.105 8.878 ( 0.000 0.000 5.105) 5.105 9.361 ( 0.000 0.000 -20.480) 20.480 9.361 ( 0.000 0.000 20.480) 20.480 9.552 ( 0.000 0.000 -1.520) 1.520 9.552 ( 0.000 0.000 1.520) 1.520 10.044 ( 0.000 0.000 -44.864) 44.864 10.044 ( 0.000 0.000 44.864) 44.864 11.094 ( 0.000 0.000 -4.059) 4.059 11.094 ( 0.000 0.000 4.059) 4.059 11.823 ( 0.000 0.000 -11.647) 11.647 11.823 ( 0.000 0.000 11.647) 11.647 12.471 ( 0.000 0.000 -4.674) 4.674 12.471 ( 0.000 0.000 4.674) 4.674 12.949 ( 0.000 0.000 -15.272) 15.272 12.949 ( 0.000 0.000 15.272) 15.272 13.225 ( 0.000 0.000 -4.070) 4.070 13.225 ( 0.000 0.000 4.070) 4.070 13.643 ( 0.000 0.000 -11.407) 11.407 13.643 ( 0.000 0.000 11.408) 11.408 13.944 ( 0.000 0.000 -1.752) 1.752 13.944 ( 0.000 0.000 1.752) 1.752 14.133 ( 0.000 0.000 -4.686) 4.686 14.133 ( 0.000 0.000 4.686) 4.686 15.056 ( 0.000 0.000 -16.747) 16.747 15.056 ( 0.000 0.000 16.747) 16.747 15.387 ( 0.000 0.000 -14.521) 14.521 15.387 ( 0.000 0.000 14.521) 14.521 15.762 ( 0.000 0.000 -23.086) 23.086 15.762 ( 0.000 0.000 23.086) 23.086 15.926 ( 0.000 0.000 -16.324) 16.324 15.926 ( 0.000 0.000 16.324) 16.324 17.142 ( 0.000 0.000 -22.969) 22.969 17.142 ( 0.000 0.000 22.969) 22.969 17.735 ( 0.000 0.000 -30.396) 30.396 17.735 ( 0.000 0.000 30.396) 30.396 18.660 ( 0.000 0.000 -3.752) 3.752 18.660 ( 0.000 0.000 3.752) 3.752 19.504 ( 0.000 0.000 -5.749) 5.749 19.504 ( 0.000 0.000 5.749) 5.749 19.904 ( 0.000 0.000 -3.454) 3.454 19.904 ( 0.000 0.000 3.454) 3.454 21.608 ( 0.000 0.000 -0.017) 0.017 21.608 ( 0.000 0.000 0.017) 0.017 22.557 ( 0.000 0.000 -19.560) 19.560 22.557 ( 0.000 0.000 19.560) 19.560 ======================= Grid point 387 (122/144) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( -0.817 0.000 -21.450) 21.466 4.346 ( -0.817 0.000 21.450) 21.466 4.762 ( 1.489 0.000 -31.901) 31.936 4.762 ( 1.489 0.000 31.901) 31.936 5.405 ( 14.763 0.000 -5.402) 15.720 5.405 ( 14.763 0.000 5.402) 15.720 5.558 ( 3.618 0.000 -0.292) 3.630 5.558 ( 3.618 0.000 0.292) 3.630 6.695 ( -7.497 0.000 -9.123) 11.808 6.695 ( -7.497 0.000 9.123) 11.808 7.301 ( 2.726 0.000 -16.073) 16.303 7.301 ( 2.726 0.000 16.073) 16.303 7.891 ( -3.756 0.000 -21.509) 21.835 7.891 ( -3.756 0.000 21.509) 21.835 8.899 ( 2.232 0.000 -6.049) 6.448 8.899 ( 2.232 0.000 6.049) 6.448 9.225 ( -9.344 0.000 -23.794) 25.563 9.225 ( -9.344 0.000 23.794) 25.563 9.722 ( 12.569 0.000 -15.798) 20.188 9.722 ( 12.569 0.000 15.798) 20.188 10.087 ( 2.519 0.000 -47.977) 48.043 10.087 ( 2.519 0.000 47.977) 48.043 11.012 ( -4.952 0.000 -1.194) 5.094 11.012 ( -4.952 0.000 1.194) 5.094 11.813 ( -3.563 0.000 -11.099) 11.657 11.813 ( -3.563 0.000 11.099) 11.657 12.150 ( -26.847 0.000 -11.539) 29.221 12.150 ( -26.847 0.000 11.539) 29.221 13.074 ( -10.896 0.000 -3.268) 11.376 13.074 ( -10.896 0.000 3.268) 11.376 13.088 ( 10.026 0.000 -15.828) 18.736 13.088 ( 10.026 0.000 15.828) 18.736 13.708 ( 5.984 0.000 -10.714) 12.271 13.708 ( 5.984 0.000 10.714) 12.271 13.974 ( 1.773 0.000 -5.479) 5.759 13.974 ( 1.773 0.000 5.479) 5.759 14.321 ( 14.747 0.000 -3.781) 15.224 14.321 ( 14.747 0.000 3.781) 15.224 15.138 ( 6.673 0.000 -15.512) 16.886 15.138 ( 6.673 0.000 15.512) 16.886 15.326 ( -6.112 0.000 -12.838) 14.219 15.326 ( -6.112 0.000 12.838) 14.219 15.732 ( -1.271 0.000 -20.782) 20.821 15.732 ( -1.271 0.000 20.782) 20.821 15.988 ( 6.936 0.000 -16.834) 18.207 15.988 ( 6.936 0.000 16.834) 18.207 17.248 ( 10.247 0.000 -22.500) 24.724 17.248 ( 10.247 0.000 22.500) 24.724 17.765 ( 3.193 0.000 -30.349) 30.517 17.765 ( 3.193 0.000 30.349) 30.517 18.700 ( 4.185 0.000 -4.529) 6.167 18.700 ( 4.185 0.000 4.529) 6.167 19.462 ( -4.062 0.000 -8.922) 9.803 19.462 ( -4.062 0.000 8.922) 9.803 19.974 ( 6.878 0.000 -4.259) 8.090 19.974 ( 6.878 0.000 4.259) 8.090 21.538 ( -7.266 0.000 -1.181) 7.361 21.538 ( -7.266 0.000 1.181) 7.361 22.452 ( -10.709 0.000 -19.133) 21.926 22.452 ( -10.709 0.000 19.133) 21.926 ======================= Grid point 389 (123/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -5.485 0.000 -14.498) 15.501 4.291 ( -5.485 0.000 14.498) 15.501 4.794 ( 1.837 0.000 -21.171) 21.250 4.794 ( 1.837 0.000 21.171) 21.250 5.670 ( 8.119 0.000 -2.739) 8.568 5.670 ( 8.119 0.000 2.739) 8.568 5.745 ( 17.674 0.000 -9.626) 20.126 5.745 ( 17.674 0.000 9.626) 20.126 6.528 ( -8.562 0.000 -4.183) 9.530 6.528 ( -8.562 0.000 4.183) 9.530 7.387 ( 6.339 0.000 -17.428) 18.545 7.387 ( 6.339 0.000 17.428) 18.545 7.829 ( -1.097 0.000 -15.038) 15.078 7.829 ( -1.097 0.000 15.038) 15.078 8.971 ( 5.495 0.000 -7.586) 9.367 8.971 ( 5.495 0.000 7.586) 9.367 9.053 ( -8.461 0.000 -23.685) 25.151 9.053 ( -8.461 0.000 23.685) 25.151 9.962 ( 11.215 0.000 -15.695) 19.290 9.962 ( 11.215 0.000 15.695) 19.290 10.040 ( -8.689 0.000 -46.567) 47.371 10.040 ( -8.689 0.000 46.567) 47.371 11.043 ( 9.026 0.000 -10.402) 13.772 11.043 ( 9.026 0.000 10.402) 13.772 11.592 ( -28.982 0.000 -9.166) 30.397 11.592 ( -28.982 0.000 9.166) 30.397 11.634 ( -13.810 0.000 -7.770) 15.845 11.634 ( -13.810 0.000 7.770) 15.845 12.920 ( -4.997 0.000 -4.787) 6.920 12.920 ( -4.997 0.000 4.787) 6.920 13.285 ( 10.415 0.000 -15.119) 18.359 13.285 ( 10.415 0.000 15.119) 18.359 13.829 ( 5.111 0.000 -9.002) 10.352 13.829 ( 5.111 0.000 9.002) 10.352 13.980 ( -0.837 0.000 -7.623) 7.669 13.980 ( -0.837 0.000 7.623) 7.669 14.542 ( 5.943 0.000 -3.341) 6.818 14.542 ( 5.943 0.000 3.341) 6.818 15.176 ( -4.968 0.000 -17.434) 18.129 15.176 ( -4.968 0.000 17.434) 18.129 15.191 ( -6.288 0.000 -9.967) 11.784 15.191 ( -6.288 0.000 9.967) 11.784 15.824 ( 11.961 0.000 -14.379) 18.704 15.824 ( 11.961 0.000 14.379) 18.704 16.203 ( 15.283 0.000 -18.309) 23.850 16.203 ( 15.283 0.000 18.309) 23.850 17.495 ( 14.522 0.000 -20.117) 24.811 17.495 ( 14.522 0.000 20.117) 24.811 17.860 ( 6.556 0.000 -29.447) 30.168 17.860 ( 6.556 0.000 29.447) 30.168 18.820 ( 8.358 0.000 -6.646) 10.679 18.820 ( 8.358 0.000 6.646) 10.679 19.368 ( -5.049 0.000 -9.886) 11.101 19.368 ( -5.049 0.000 9.886) 11.101 20.146 ( 10.464 0.000 -6.257) 12.192 20.146 ( 10.464 0.000 6.257) 12.192 21.336 ( -13.509 0.000 -2.521) 13.742 21.336 ( -13.509 0.000 2.521) 13.742 22.161 ( -19.179 0.000 -18.233) 26.463 22.161 ( -19.179 0.000 18.233) 26.463 ======================= Grid point 391 (124/144) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.137 ( -9.913 0.000 -8.023) 12.753 4.137 ( -9.913 0.000 8.023) 12.753 4.831 ( 1.899 0.000 -15.299) 15.416 4.831 ( 1.899 0.000 15.299) 15.416 5.856 ( 10.574 0.000 -3.997) 11.305 5.856 ( 10.574 0.000 3.997) 11.305 5.954 ( 2.589 0.000 -14.898) 15.121 5.954 ( 2.589 0.000 14.898) 15.121 6.425 ( -1.871 0.000 -3.467) 3.940 6.425 ( -1.871 0.000 3.467) 3.940 7.544 ( 9.928 0.000 -18.521) 21.014 7.544 ( 9.928 0.000 18.521) 21.014 7.916 ( 11.318 0.000 -5.839) 12.735 7.916 ( 11.318 0.000 5.839) 12.735 8.903 ( -7.192 0.000 -22.062) 23.205 8.903 ( -7.192 0.000 22.062) 23.205 9.108 ( 8.235 0.000 -9.070) 12.251 9.108 ( 8.235 0.000 9.070) 12.251 9.792 ( -15.406 0.000 -34.135) 37.450 9.792 ( -15.406 0.000 34.135) 37.450 10.082 ( -0.870 0.000 -14.928) 14.954 10.082 ( -0.870 0.000 14.928) 14.954 11.134 ( -10.265 0.000 -27.314) 29.179 11.134 ( -10.265 0.000 27.314) 29.179 11.137 ( -15.906 0.000 -5.770) 16.920 11.137 ( -15.906 0.000 5.770) 16.920 11.524 ( 12.711 0.000 -3.686) 13.235 11.524 ( 12.711 0.000 3.686) 13.235 12.846 ( -3.917 0.000 -8.550) 9.404 12.846 ( -3.917 0.000 8.550) 9.404 13.468 ( 7.649 0.000 -12.543) 14.692 13.468 ( 7.649 0.000 12.543) 14.692 13.836 ( -5.547 0.000 -7.066) 8.983 13.836 ( -5.547 0.000 7.066) 8.983 13.982 ( 2.638 0.000 -5.958) 6.516 13.982 ( 2.638 0.000 5.958) 6.516 14.549 ( -2.569 0.000 -6.085) 6.605 14.549 ( -2.569 0.000 6.085) 6.605 14.989 ( -12.947 0.000 -18.280) 22.400 14.989 ( -12.947 0.000 18.280) 22.400 15.129 ( -0.663 0.000 -6.965) 6.997 15.129 ( -0.663 0.000 6.965) 6.997 16.104 ( 14.765 0.000 -10.257) 17.978 16.104 ( 14.765 0.000 10.257) 17.978 16.544 ( 19.302 0.000 -17.958) 26.364 16.544 ( 19.302 0.000 17.958) 26.364 17.770 ( 13.461 0.000 -15.102) 20.230 17.770 ( 13.461 0.000 15.102) 20.230 17.983 ( 4.787 0.000 -26.520) 26.948 17.983 ( 4.787 0.000 26.520) 26.948 19.016 ( 11.860 0.000 -8.931) 14.847 19.016 ( 11.860 0.000 8.931) 14.847 19.310 ( 0.285 0.000 -9.073) 9.078 19.310 ( 0.285 0.000 9.073) 9.078 20.352 ( 10.645 0.000 -9.987) 14.596 20.352 ( 10.645 0.000 9.987) 14.596 21.036 ( -17.225 0.000 -3.917) 17.665 21.036 ( -17.225 0.000 3.917) 17.665 21.743 ( -23.708 0.000 -17.565) 29.506 21.743 ( -23.708 0.000 17.565) 29.506 ======================= Grid point 393 (125/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -7.931 0.000 -3.622) 8.719 3.954 ( -7.931 0.000 3.622) 8.719 4.862 ( 1.175 0.000 -9.140) 9.215 4.862 ( 1.175 0.000 9.140) 9.215 5.922 ( -3.091 0.000 -9.674) 10.156 5.922 ( -3.091 0.000 9.674) 10.156 6.037 ( 7.356 0.000 -2.595) 7.800 6.037 ( 7.356 0.000 2.595) 7.800 6.400 ( -1.566 0.000 -1.664) 2.284 6.400 ( -1.566 0.000 1.664) 2.284 7.747 ( 10.171 0.000 -15.796) 18.787 7.747 ( 10.171 0.000 15.796) 18.787 8.244 ( 20.832 0.000 -2.871) 21.029 8.244 ( 20.832 0.000 2.871) 21.029 8.778 ( -5.659 0.000 -17.439) 18.334 8.778 ( -5.659 0.000 17.439) 18.334 9.177 ( -6.715 0.000 -22.504) 23.484 9.177 ( -6.715 0.000 22.504) 23.484 9.565 ( -3.127 0.000 -26.254) 26.439 9.565 ( -3.127 0.000 26.254) 26.439 9.932 ( -11.115 0.000 -8.928) 14.257 9.932 ( -11.115 0.000 8.928) 14.257 10.850 ( -13.976 0.000 -19.355) 23.873 10.850 ( -13.976 0.000 19.355) 23.873 11.005 ( -0.464 0.000 -2.925) 2.961 11.005 ( -0.464 0.000 2.925) 2.961 11.925 ( 24.114 0.000 -5.180) 24.664 11.925 ( 24.114 0.000 5.180) 24.664 12.719 ( -10.702 0.000 -10.711) 15.142 12.719 ( -10.702 0.000 10.711) 15.142 13.546 ( 1.034 0.000 -6.471) 6.553 13.546 ( 1.034 0.000 6.471) 6.553 13.657 ( -10.221 0.000 -6.251) 11.980 13.657 ( -10.221 0.000 6.251) 11.980 14.126 ( 12.025 0.000 -10.801) 16.164 14.126 ( 12.025 0.000 10.801) 16.164 14.516 ( -0.764 0.000 -2.940) 3.038 14.516 ( -0.764 0.000 2.940) 3.038 14.713 ( -15.441 0.000 -16.941) 22.922 14.713 ( -15.441 0.000 16.941) 22.922 15.129 ( 0.143 0.000 -3.474) 3.477 15.129 ( 0.143 0.000 3.474) 3.477 16.334 ( 8.495 0.000 -5.567) 10.157 16.334 ( 8.495 0.000 5.567) 10.157 16.893 ( 15.638 0.000 -13.636) 20.748 16.893 ( 15.638 0.000 13.636) 20.748 17.982 ( 8.129 0.000 -8.072) 11.456 17.982 ( 8.129 0.000 8.072) 11.456 17.999 ( -2.833 0.000 -18.257) 18.476 17.999 ( -2.833 0.000 18.257) 18.476 19.251 ( 11.576 0.000 -8.075) 14.114 19.251 ( 11.576 0.000 8.075) 14.114 19.397 ( 7.541 0.000 -6.279) 9.813 19.397 ( 7.541 0.000 6.279) 9.813 20.543 ( 9.225 0.000 -13.672) 16.493 20.543 ( 9.225 0.000 13.672) 16.493 20.714 ( -14.954 0.000 -4.181) 15.528 20.714 ( -14.954 0.000 4.181) 15.528 21.295 ( -21.624 0.000 -16.657) 27.296 21.295 ( -21.624 0.000 16.657) 27.296 ======================= Grid point 395 (126/144) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.110 ( 0.000 0.000 -0.000) 0.000 6.110 ( 0.000 0.000 0.000) 0.000 6.380 ( 0.000 0.000 -0.000) 0.000 6.380 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 8.541 ( -0.000 0.000 -0.000) 0.000 8.541 ( -0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.982 ( 0.000 0.000 -0.000) 0.000 8.982 ( 0.000 0.000 0.000) 0.000 9.592 ( 0.000 0.000 -0.000) 0.000 9.592 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 9.804 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 10.699 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 11.015 ( 0.000 0.000 0.000) 0.000 12.306 ( 0.000 0.000 -0.000) 0.000 12.306 ( 0.000 0.000 0.000) 0.000 12.474 ( -0.000 0.000 -0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.549 ( 0.000 0.000 0.000) 0.000 13.549 ( 0.000 0.000 0.000) 0.000 14.367 ( -0.000 0.000 -0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.444 ( 0.000 0.000 -0.000) 0.000 14.444 ( -0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 15.130 ( 0.000 0.000 0.000) 0.000 15.130 ( 0.000 0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 16.416 ( 0.000 0.000 0.000) 0.000 17.064 ( 0.000 0.000 0.000) 0.000 17.064 ( 0.000 0.000 0.000) 0.000 17.949 ( 0.000 0.000 -0.000) 0.000 17.949 ( 0.000 0.000 0.000) 0.000 18.063 ( 0.000 0.000 0.000) 0.000 18.063 ( 0.000 0.000 0.000) 0.000 19.383 ( -0.000 0.000 0.000) 0.000 19.383 ( 0.000 0.000 0.000) 0.000 19.495 ( 0.000 0.000 0.000) 0.000 19.495 ( 0.000 0.000 0.000) 0.000 20.549 ( -0.000 0.000 -0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 20.668 ( 0.000 0.000 -0.000) 0.000 20.668 ( 0.000 0.000 0.000) 0.000 21.033 ( 0.000 0.000 -0.000) 0.000 21.033 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 407 (127/144) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( 0.000 0.161 -21.371) 21.372 4.335 ( 0.000 0.161 21.371) 21.372 4.832 ( 0.000 8.693 -38.044) 39.025 4.832 ( 0.000 8.693 38.044) 39.025 5.353 ( 0.000 7.825 -13.803) 15.867 5.353 ( 0.000 7.825 13.803) 15.867 5.567 ( 0.000 3.572 -0.499) 3.606 5.567 ( 0.000 3.572 0.499) 3.606 6.604 ( 0.000 -15.451 -7.441) 17.149 6.604 ( 0.000 -15.451 7.441) 17.149 7.278 ( 0.000 -1.702 -15.761) 15.853 7.278 ( 0.000 -1.702 15.761) 15.853 7.845 ( 0.000 -6.142 -21.854) 22.700 7.845 ( 0.000 -6.142 21.854) 22.700 8.824 ( 0.000 -4.784 -1.517) 5.018 8.824 ( 0.000 -4.784 1.517) 5.018 9.396 ( 0.000 1.530 -24.433) 24.481 9.396 ( 0.000 1.530 24.433) 24.481 9.654 ( 0.000 11.255 -12.700) 16.970 9.654 ( 0.000 11.255 12.700) 16.970 10.156 ( 0.000 9.597 -41.849) 42.935 10.156 ( 0.000 9.597 41.849) 42.935 11.037 ( 0.000 -3.778 -3.273) 4.999 11.037 ( 0.000 -3.778 3.273) 4.999 11.766 ( 0.000 -5.267 -10.901) 12.107 11.766 ( 0.000 -5.267 10.901) 12.107 12.447 ( 0.000 -4.109 -12.412) 13.075 12.447 ( 0.000 -4.109 12.412) 13.075 13.104 ( 0.000 12.466 -8.455) 15.063 13.104 ( 0.000 12.466 8.455) 15.063 13.286 ( 0.000 6.301 -5.347) 8.264 13.286 ( 0.000 6.301 5.347) 8.264 13.373 ( 0.000 -17.758 -8.127) 19.529 13.373 ( 0.000 -17.758 8.127) 19.529 14.055 ( 0.000 -5.258 -6.212) 8.138 14.055 ( 0.000 -5.258 6.212) 8.138 14.130 ( 0.000 10.037 -2.024) 10.239 14.130 ( 0.000 10.037 2.024) 10.239 15.049 ( 0.000 -0.438 -14.823) 14.829 15.049 ( 0.000 -0.438 14.823) 14.829 15.365 ( 0.000 -2.021 -13.398) 13.550 15.365 ( 0.000 -2.021 13.398) 13.550 15.849 ( 0.000 8.417 -16.979) 18.951 15.849 ( 0.000 8.417 16.979) 18.951 16.000 ( 0.000 5.875 -10.860) 12.347 16.000 ( 0.000 5.875 10.860) 12.347 17.111 ( 0.000 -2.682 -17.700) 17.902 17.111 ( 0.000 -2.682 17.700) 17.902 17.755 ( 0.000 1.652 -26.125) 26.177 17.755 ( 0.000 1.652 26.125) 26.177 18.531 ( 0.000 -11.856 -5.716) 13.162 18.531 ( 0.000 -11.856 5.716) 13.162 19.473 ( 0.000 -2.928 -5.565) 6.289 19.473 ( 0.000 -2.928 5.565) 6.289 19.919 ( 0.000 0.965 -3.488) 3.619 19.919 ( 0.000 0.965 3.488) 3.619 21.664 ( 0.000 5.429 -0.811) 5.490 21.664 ( 0.000 5.429 0.811) 5.490 22.509 ( 0.000 -4.569 -18.198) 18.763 22.509 ( 0.000 -4.569 18.198) 18.763 ======================= Grid point 409 (128/144) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 0.765 1.465 -19.346) 19.416 4.346 ( 0.765 1.465 19.346) 19.416 4.848 ( 1.306 7.889 -30.717) 31.741 4.848 ( 1.306 7.889 30.717) 31.741 5.462 ( 9.393 3.911 -8.018) 12.954 5.462 ( 9.393 3.911 8.018) 12.954 5.618 ( 6.607 6.003 -4.648) 10.065 5.618 ( 6.607 6.003 4.648) 10.065 6.534 ( -6.727 -14.601 -6.348) 17.284 6.534 ( -6.727 -14.601 6.348) 17.284 7.306 ( 2.881 -2.207 -15.243) 15.669 7.306 ( 2.881 -2.207 15.243) 15.669 7.813 ( -2.637 -4.519 -19.042) 19.748 7.813 ( -2.637 -4.519 19.042) 19.748 8.832 ( 0.957 -5.112 -4.638) 6.968 8.832 ( 0.957 -5.112 4.638) 6.968 9.307 ( -7.048 5.347 -24.953) 26.475 9.307 ( -7.048 5.347 24.953) 26.475 9.750 ( 7.618 4.312 -16.536) 18.710 9.750 ( 7.618 4.312 16.536) 18.710 10.216 ( 4.390 11.020 -41.181) 42.855 10.216 ( 4.390 11.020 41.181) 42.855 10.984 ( -2.841 -1.762 -1.102) 3.520 10.984 ( -2.841 -1.762 1.102) 3.520 11.657 ( -12.260 -10.495 -10.121) 19.050 11.657 ( -12.260 -10.495 10.121) 19.050 12.271 ( -16.227 5.870 -12.722) 21.439 12.271 ( -16.227 5.870 12.722) 21.439 13.014 ( -8.168 -0.741 -1.757) 8.387 13.014 ( -8.168 -0.741 1.757) 8.387 13.283 ( 3.641 9.009 -6.963) 11.954 13.283 ( 3.641 9.009 6.963) 11.954 13.490 ( 8.984 -10.977 -4.143) 14.777 13.490 ( 8.984 -10.977 4.143) 14.777 14.104 ( -2.181 6.273 -1.915) 6.912 14.104 ( -2.181 6.273 1.915) 6.912 14.248 ( 15.721 -4.478 -5.688) 17.308 14.248 ( 15.721 -4.478 5.688) 17.308 15.144 ( 6.019 0.240 -10.092) 11.753 15.144 ( 6.019 0.240 10.092) 11.753 15.324 ( -1.634 -1.722 -8.186) 8.523 15.324 ( -1.634 -1.722 8.186) 8.523 15.770 ( -6.759 6.746 -17.419) 19.865 15.770 ( -6.759 6.746 17.419) 19.865 16.085 ( 8.198 6.540 -14.394) 17.809 16.085 ( 8.198 6.540 14.394) 17.809 17.207 ( 9.236 -3.481 -17.372) 19.980 17.207 ( 9.236 -3.481 17.372) 19.980 17.794 ( 4.244 2.345 -25.656) 26.110 17.794 ( 4.244 2.345 25.656) 26.110 18.579 ( 4.902 -11.038 -6.088) 13.525 18.579 ( 4.902 -11.038 6.088) 13.525 19.439 ( -3.347 -2.123 -8.130) 9.045 19.439 ( -3.347 -2.123 8.130) 9.045 19.973 ( 5.443 -0.473 -3.980) 6.760 19.973 ( 5.443 -0.473 3.980) 6.760 21.597 ( -6.920 5.717 -1.235) 9.061 21.597 ( -6.920 5.717 1.235) 9.061 22.410 ( -10.231 -4.133 -17.801) 20.944 22.410 ( -10.231 -4.133 17.801) 20.944 ======================= Grid point 411 (129/144) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -1.908 5.482 -14.162) 15.306 4.341 ( -1.908 5.482 14.162) 15.306 4.867 ( 0.472 6.634 -20.475) 21.529 4.867 ( 0.472 6.634 20.475) 21.529 5.624 ( 8.287 -2.954 -1.348) 8.900 5.624 ( 8.287 -2.954 1.348) 8.900 5.847 ( 13.677 7.524 -12.942) 20.277 5.847 ( 13.677 7.524 12.942) 20.277 6.390 ( -6.547 -11.942 -2.983) 13.942 6.390 ( -6.547 -11.942 2.983) 13.942 7.382 ( 4.969 -5.418 -12.729) 14.700 7.382 ( 4.969 -5.418 12.729) 14.700 7.786 ( 1.052 0.842 -11.147) 11.228 7.786 ( 1.052 0.842 11.147) 11.228 8.861 ( 1.689 -5.549 -7.269) 9.300 8.861 ( 1.689 -5.549 7.269) 9.300 9.185 ( -4.534 6.866 -23.027) 24.453 9.185 ( -4.534 6.866 23.027) 24.453 9.867 ( 2.301 -2.741 -26.315) 26.557 9.867 ( 2.301 -2.741 26.315) 26.557 10.238 ( -2.535 12.138 -27.933) 30.562 10.238 ( -2.535 12.138 27.933) 30.562 11.007 ( 1.894 -4.456 -12.672) 13.566 11.007 ( 1.894 -4.456 12.672) 13.566 11.377 ( -9.651 -7.113 -7.002) 13.884 11.377 ( -9.651 -7.113 7.002) 13.884 11.878 ( -23.800 11.586 -8.435) 27.782 11.878 ( -23.800 11.586 8.435) 27.782 12.882 ( -5.232 -3.221 -3.991) 7.326 12.882 ( -5.232 -3.221 3.991) 7.326 13.426 ( 10.139 6.498 -8.122) 14.525 13.426 ( 10.139 6.498 8.122) 14.525 13.641 ( 5.431 -7.235 -3.598) 9.736 13.641 ( 5.431 -7.235 3.598) 9.736 14.057 ( -1.912 2.556 -2.979) 4.366 14.057 ( -1.912 2.556 2.979) 4.366 14.520 ( 9.839 -0.798 -2.980) 10.311 14.520 ( 9.839 -0.798 2.980) 10.311 15.082 ( -8.106 -2.444 -9.697) 12.873 15.082 ( -8.106 -2.444 9.697) 12.873 15.418 ( 2.482 11.599 -8.545) 14.619 15.418 ( 2.482 11.599 8.545) 14.619 15.677 ( 2.538 -7.480 -14.806) 16.781 15.677 ( 2.538 -7.480 14.806) 16.781 16.304 ( 14.169 5.099 -14.344) 20.797 16.304 ( 14.169 5.099 14.344) 20.797 17.427 ( 12.990 -5.248 -16.218) 21.432 17.427 ( 12.990 -5.248 16.218) 21.432 17.920 ( 8.625 4.291 -24.426) 26.257 17.920 ( 8.625 4.291 24.426) 26.257 18.713 ( 8.929 -9.341 -7.192) 14.789 18.713 ( 8.929 -9.341 7.192) 14.789 19.361 ( -4.147 -0.517 -9.286) 10.183 19.361 ( -4.147 -0.517 9.286) 10.183 20.111 ( 8.402 -3.709 -5.786) 10.855 20.111 ( 8.402 -3.709 5.786) 10.855 21.407 ( -12.612 6.692 -2.214) 14.448 21.407 ( -12.612 6.692 2.214) 14.448 22.132 ( -18.219 -2.828 -16.893) 25.006 22.132 ( -18.219 -2.828 16.893) 25.006 ======================= Grid point 413 (130/144) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( -6.268 11.691 -8.010) 15.496 4.260 ( -6.268 11.691 8.010) 15.496 4.869 ( 0.001 3.875 -14.181) 14.701 4.869 ( 0.001 3.875 14.181) 14.701 5.802 ( 9.402 -4.668 -1.653) 10.626 5.802 ( 9.402 -4.668 1.653) 10.626 5.976 ( -0.802 -0.417 -13.855) 13.885 5.976 ( -0.802 -0.417 13.855) 13.885 6.361 ( 3.253 -3.685 -2.706) 5.612 6.361 ( 3.253 -3.685 2.706) 5.612 7.513 ( 9.239 -8.978 -10.876) 16.860 7.513 ( 9.239 -8.978 10.876) 16.860 7.887 ( 9.720 3.911 -8.089) 13.237 7.887 ( 9.720 3.911 8.089) 13.237 8.862 ( -2.247 -2.781 -13.601) 14.063 8.862 ( -2.247 -2.781 13.601) 14.063 9.180 ( 4.170 4.911 -12.975) 14.486 9.180 ( 4.170 4.911 12.975) 14.486 9.764 ( -12.690 -1.225 -27.648) 30.446 9.764 ( -12.690 -1.225 27.648) 30.446 10.149 ( -7.218 3.812 -11.486) 14.091 10.149 ( -7.218 3.812 11.486) 14.091 10.879 ( -7.852 -11.552 -15.107) 20.574 10.879 ( -7.852 -11.552 15.107) 20.574 11.413 ( -22.052 12.325 -10.130) 27.218 11.413 ( -22.052 12.325 10.130) 27.218 11.548 ( 19.737 4.703 -3.839) 20.649 11.548 ( 19.737 4.703 3.839) 20.649 12.790 ( -5.011 -5.236 -8.172) 10.923 12.790 ( -5.011 -5.236 8.172) 10.923 13.611 ( 4.961 7.233 -12.665) 15.406 13.611 ( 4.961 7.233 12.665) 15.406 13.673 ( 0.412 -5.641 -6.393) 8.536 13.673 ( 0.412 -5.641 6.393) 8.536 14.058 ( 2.766 3.361 -3.628) 5.667 14.058 ( 2.766 3.361 3.628) 5.667 14.571 ( -3.175 3.610 -4.544) 6.615 14.571 ( -3.175 3.610 4.544) 6.615 14.953 ( -6.011 -2.434 -12.594) 14.166 14.953 ( -6.011 -2.434 12.594) 14.166 15.322 ( -6.784 16.023 -11.720) 20.979 15.322 ( -6.784 16.023 11.720) 20.979 15.887 ( 13.707 -16.966 -10.589) 24.246 15.887 ( 13.707 -16.966 10.589) 24.246 16.595 ( 15.334 0.451 -12.305) 19.666 16.595 ( 15.334 0.451 12.305) 19.666 17.676 ( 12.252 -6.737 -13.629) 19.526 17.676 ( 12.252 -6.737 13.629) 19.526 18.090 ( 7.890 7.370 -21.841) 24.364 18.090 ( 7.890 7.370 21.841) 24.364 18.915 ( 11.978 -7.783 -8.814) 16.785 18.915 ( 11.978 -7.783 8.814) 16.785 19.315 ( 0.278 0.109 -8.533) 8.538 19.315 ( 0.278 0.109 8.533) 8.538 20.270 ( 7.475 -7.834 -8.936) 14.039 20.270 ( 7.475 -7.834 8.936) 14.039 21.136 ( -14.824 8.878 -3.460) 17.622 21.136 ( -14.824 8.878 3.460) 17.622 21.738 ( -22.138 -0.557 -15.903) 27.263 21.738 ( -22.138 -0.557 15.903) 27.263 ======================= Grid point 415 (131/144) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( -5.993 16.744 -3.305) 18.089 4.132 ( -5.993 16.744 3.305) 18.089 4.874 ( 0.434 1.541 -8.407) 8.558 4.874 ( 0.434 1.541 8.407) 8.558 5.879 ( -2.235 -4.394 -8.493) 9.820 5.879 ( -2.235 -4.394 8.493) 9.820 5.985 ( 3.922 -5.474 -5.443) 8.659 5.985 ( 3.922 -5.474 5.443) 8.659 6.424 ( 2.563 2.897 -2.148) 4.425 6.424 ( 2.563 2.897 2.148) 4.425 7.711 ( 9.695 -8.169 -9.107) 15.610 7.711 ( 9.695 -8.169 9.107) 15.610 8.151 ( 17.105 -2.027 -5.410) 18.055 8.151 ( 17.105 -2.027 5.410) 18.055 8.792 ( -4.579 0.443 -15.543) 16.210 8.792 ( -4.579 0.443 15.543) 16.210 9.214 ( -7.809 3.874 -19.343) 21.217 9.214 ( -7.809 3.874 19.343) 21.217 9.516 ( -5.738 -3.272 -23.459) 24.371 9.516 ( -5.738 -3.272 23.459) 24.371 9.996 ( -6.284 2.436 -8.024) 10.479 9.996 ( -6.284 2.436 8.024) 10.479 10.777 ( -6.195 -6.709 -11.903) 15.002 10.777 ( -6.195 -6.709 11.903) 15.002 11.087 ( -8.941 8.175 -4.217) 12.828 11.087 ( -8.941 8.175 4.217) 12.827 11.984 ( 23.416 4.365 -9.173) 25.524 11.984 ( 23.416 4.365 9.173) 25.524 12.666 ( -8.755 -3.412 -11.229) 14.642 12.666 ( -8.755 -3.412 11.229) 14.642 13.508 ( -9.061 -4.743 -3.309) 10.749 13.508 ( -9.061 -4.743 3.309) 10.749 13.735 ( 1.357 9.080 -3.353) 9.774 13.735 ( 1.357 9.080 3.353) 9.774 14.198 ( 11.526 5.654 -10.159) 16.371 14.198 ( 11.526 5.654 10.159) 16.371 14.499 ( -2.847 0.708 -5.208) 5.978 14.499 ( -2.847 0.708 5.208) 5.978 14.780 ( -12.112 4.398 -9.435) 15.971 14.780 ( -12.112 4.398 9.435) 15.971 15.249 ( -1.150 11.967 -5.199) 13.098 15.249 ( -1.150 11.967 5.199) 13.098 16.107 ( 8.380 -19.517 -6.090) 22.096 16.107 ( 8.380 -19.517 6.090) 22.096 16.855 ( 10.896 -5.608 -7.966) 14.616 16.855 ( 10.896 -5.608 7.966) 14.616 17.860 ( 6.109 -8.047 -7.864) 12.803 17.860 ( 6.109 -8.047 7.864) 12.803 18.189 ( 2.634 13.158 -13.269) 18.871 18.189 ( 2.634 13.158 13.269) 18.871 19.157 ( 12.338 -6.908 -8.883) 16.699 19.157 ( 12.338 -6.908 8.883) 16.699 19.377 ( 4.949 -2.552 -5.088) 7.543 19.377 ( 4.949 -2.552 5.088) 7.543 20.365 ( 1.743 -12.517 -10.076) 16.163 20.365 ( 1.743 -12.517 10.076) 16.163 20.897 ( -8.070 12.287 -5.006) 15.529 20.897 ( -8.070 12.287 5.006) 15.529 21.328 ( -19.194 2.952 -13.945) 23.908 21.328 ( -19.194 2.952 13.945) 23.908 ======================= Grid point 417 (132/144) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( 0.000 18.534 0.000) 18.534 4.069 ( 0.000 18.534 0.000) 18.534 4.879 ( 0.000 0.950 0.000) 0.950 4.879 ( 0.000 0.950 0.000) 0.950 5.849 ( 0.000 -4.127 -0.000) 4.127 5.849 ( 0.000 -4.127 0.000) 4.127 6.025 ( 0.000 -7.327 -0.000) 7.327 6.025 ( 0.000 -7.327 0.000) 7.327 6.452 ( 0.000 5.894 0.000) 5.894 6.452 ( 0.000 5.894 0.000) 5.894 7.816 ( 0.000 -7.852 0.000) 7.852 7.816 ( 0.000 -7.852 0.000) 7.852 8.407 ( -0.000 -7.009 0.000) 7.009 8.407 ( 0.000 -7.009 0.000) 7.009 8.708 ( 0.000 -0.045 0.000) 0.045 8.708 ( 0.000 -0.045 0.000) 0.045 9.031 ( 0.000 4.539 -0.000) 4.539 9.031 ( 0.000 4.539 0.000) 4.539 9.511 ( 0.000 -4.012 -0.000) 4.012 9.511 ( 0.000 -4.012 0.000) 4.012 9.946 ( 0.000 6.021 0.000) 6.021 9.946 ( 0.000 6.021 0.000) 6.021 10.679 ( 0.000 -3.233 0.000) 3.233 10.679 ( 0.000 -3.233 0.000) 3.233 11.031 ( 0.000 4.167 0.000) 4.167 11.031 ( 0.000 4.167 0.000) 4.167 12.339 ( -0.000 -11.747 0.000) 11.747 12.339 ( 0.000 -11.747 0.000) 11.747 12.468 ( -0.000 14.514 -0.000) 14.514 12.468 ( 0.000 14.514 0.000) 14.514 13.398 ( 0.000 -6.682 0.000) 6.682 13.398 ( 0.000 -6.682 0.000) 6.682 13.742 ( 0.000 11.210 0.000) 11.210 13.742 ( 0.000 11.210 0.000) 11.210 14.383 ( -0.000 0.436 -0.000) 0.436 14.383 ( 0.000 0.436 0.000) 0.436 14.493 ( 0.000 3.697 -0.000) 3.697 14.493 ( 0.000 3.697 0.000) 3.697 14.571 ( -0.000 7.331 0.000) 7.331 14.571 ( -0.000 7.331 0.000) 7.331 15.243 ( 0.000 11.111 0.000) 11.111 15.243 ( 0.000 11.111 0.000) 11.111 16.189 ( 0.000 -20.466 0.000) 20.466 16.189 ( 0.000 -20.466 0.000) 20.466 16.969 ( 0.000 -9.010 0.000) 9.010 16.969 ( 0.000 -9.010 0.000) 9.010 17.911 ( 0.000 -7.779 0.000) 7.779 17.911 ( 0.000 -7.779 0.000) 7.779 18.212 ( 0.000 16.196 0.000) 16.196 18.212 ( 0.000 16.196 0.000) 16.196 19.305 ( -0.000 -6.134 0.000) 6.134 19.305 ( 0.000 -6.134 0.000) 6.134 19.431 ( 0.000 -5.864 0.000) 5.864 19.431 ( 0.000 -5.864 0.000) 5.864 20.362 ( 0.000 -12.850 0.000) 12.850 20.362 ( 0.000 -12.850 0.000) 12.850 20.846 ( -0.000 11.397 -0.000) 11.397 20.846 ( 0.000 11.397 0.000) 11.397 21.105 ( 0.000 6.262 -0.000) 6.262 21.105 ( 0.000 6.262 0.000) 6.262 ======================= Grid point 429 (133/144) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( 0.000 9.036 -17.618) 19.800 4.418 ( 0.000 9.036 17.618) 19.800 5.068 ( 0.000 13.418 -32.421) 35.088 5.068 ( 0.000 13.418 32.421) 35.088 5.450 ( 0.000 -0.983 -21.827) 21.849 5.450 ( 0.000 -0.983 21.827) 21.849 5.643 ( 0.000 4.423 -6.693) 8.023 5.643 ( 0.000 4.423 6.693) 8.023 6.265 ( 0.000 -15.847 -1.091) 15.885 6.265 ( 0.000 -15.847 1.091) 15.885 7.104 ( 0.000 -15.524 -17.366) 23.293 7.104 ( 0.000 -15.524 17.366) 23.293 7.839 ( 0.000 6.395 -15.325) 16.605 7.839 ( 0.000 6.395 15.325) 16.605 8.713 ( 0.000 -6.099 -1.717) 6.337 8.713 ( 0.000 -6.099 1.717) 6.337 9.433 ( 0.000 2.416 -24.359) 24.478 9.433 ( 0.000 2.416 24.359) 24.478 9.884 ( 0.000 8.534 -22.513) 24.076 9.884 ( 0.000 8.534 22.513) 24.076 10.396 ( 0.000 14.870 -34.405) 37.481 10.396 ( 0.000 14.870 34.405) 37.481 11.022 ( 0.000 3.014 -1.222) 3.252 11.022 ( 0.000 3.014 1.222) 3.252 11.636 ( 0.000 -6.851 -5.881) 9.029 11.636 ( 0.000 -6.851 5.881) 9.029 12.277 ( 0.000 -13.532 -21.739) 25.606 12.277 ( 0.000 -13.532 21.739) 25.606 12.951 ( 0.000 -17.279 -5.890) 18.256 12.951 ( 0.000 -17.279 5.890) 18.256 13.312 ( 0.000 6.762 -1.379) 6.901 13.312 ( 0.000 6.762 1.379) 6.901 13.572 ( 0.000 13.106 -4.519) 13.863 13.572 ( 0.000 13.106 4.519) 13.863 13.944 ( 0.000 -2.402 -7.610) 7.980 13.944 ( 0.000 -2.402 7.610) 7.980 14.323 ( 0.000 9.286 -2.653) 9.657 14.323 ( 0.000 9.286 2.653) 9.657 15.052 ( 0.000 0.404 -9.941) 9.949 15.052 ( 0.000 0.404 9.941) 9.949 15.323 ( 0.000 -1.275 -9.877) 9.959 15.323 ( 0.000 -1.275 9.877) 9.959 16.045 ( 0.000 8.773 -0.848) 8.813 16.045 ( 0.000 8.773 0.848) 8.813 16.085 ( 0.000 1.754 -5.666) 5.931 16.085 ( 0.000 1.754 5.666) 5.931 17.088 ( 0.000 2.380 -8.520) 8.846 17.088 ( 0.000 2.380 8.520) 8.846 17.765 ( 0.000 -2.470 -18.997) 19.157 17.765 ( 0.000 -2.470 18.997) 19.157 18.263 ( 0.000 -12.717 -9.272) 15.738 18.263 ( 0.000 -12.717 9.272) 15.738 19.404 ( 0.000 -3.583 -4.165) 5.494 19.404 ( 0.000 -3.583 4.165) 5.494 19.924 ( 0.000 -0.540 -3.146) 3.192 19.924 ( 0.000 -0.540 3.146) 3.192 21.806 ( 0.000 8.373 -2.805) 8.830 21.806 ( 0.000 8.373 2.805) 8.830 22.388 ( 0.000 -7.249 -14.532) 16.239 22.388 ( 0.000 -7.249 14.532) 16.239 ======================= Grid point 431 (134/144) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 3.498 10.131 -16.362) 19.560 4.455 ( 3.498 10.131 16.362) 19.560 5.046 ( -1.684 10.933 -25.579) 27.868 5.046 ( -1.684 10.933 25.579) 27.868 5.476 ( 2.567 -3.431 -12.244) 12.972 5.476 ( 2.567 -3.431 12.244) 12.972 5.758 ( 10.506 5.674 -13.183) 17.787 5.758 ( 10.506 5.674 13.183) 17.787 6.215 ( -4.311 -14.267 -0.934) 14.934 6.215 ( -4.311 -14.267 0.934) 14.934 7.120 ( 1.269 -15.057 -16.065) 22.055 7.120 ( 1.269 -15.057 16.065) 22.055 7.849 ( 1.785 7.823 -13.423) 15.639 7.849 ( 1.785 7.823 13.423) 15.639 8.729 ( 1.748 -5.125 -2.678) 6.041 8.729 ( 1.748 -5.125 2.678) 6.041 9.376 ( -5.541 1.728 -25.264) 25.922 9.376 ( -5.541 1.728 25.264) 25.922 9.878 ( 0.105 6.768 -23.843) 24.785 9.878 ( 0.105 6.768 23.843) 24.785 10.460 ( 3.754 12.602 -29.604) 32.393 10.460 ( 3.754 12.602 29.604) 32.393 10.986 ( -2.697 1.808 -3.728) 4.944 10.986 ( -2.697 1.808 3.728) 4.944 11.489 ( -12.423 -4.568 -3.882) 13.794 11.489 ( -12.423 -4.568 3.882) 13.794 12.273 ( -2.793 -6.474 -17.135) 18.529 12.273 ( -2.793 -6.474 17.135) 18.529 12.936 ( -2.976 -11.730 -7.964) 14.487 12.936 ( -2.976 -11.730 7.964) 14.487 13.162 ( -9.603 -2.255 -2.600) 10.201 13.162 ( -9.603 -2.255 2.600) 10.201 13.638 ( 8.839 7.808 -7.992) 14.246 13.638 ( 8.839 7.808 7.992) 14.246 14.159 ( 13.761 4.938 -4.574) 15.319 14.159 ( 13.761 4.938 4.574) 15.319 14.276 ( -1.440 6.075 -1.608) 6.447 14.276 ( -1.440 6.075 1.608) 6.447 15.140 ( 6.417 -2.460 -10.121) 12.233 15.140 ( 6.417 -2.460 10.121) 12.233 15.272 ( -3.785 -0.441 -5.846) 6.978 15.272 ( -3.785 -0.441 5.846) 6.978 15.978 ( -5.040 10.853 -13.392) 17.959 15.978 ( -5.040 10.853 13.392) 17.959 16.156 ( 5.609 0.125 -10.175) 11.619 16.156 ( 5.609 0.125 10.175) 11.619 17.164 ( 7.453 0.966 -10.057) 12.555 17.164 ( 7.453 0.966 10.057) 12.555 17.806 ( 4.537 -3.179 -18.519) 19.330 17.806 ( 4.537 -3.179 18.519) 19.330 18.341 ( 7.855 -10.334 -8.529) 15.531 18.341 ( 7.855 -10.334 8.529) 15.531 19.394 ( -1.063 -2.048 -5.705) 6.153 19.394 ( -1.063 -2.048 5.705) 6.153 19.942 ( 1.916 -2.586 -3.334) 4.634 19.942 ( 1.916 -2.586 3.334) 4.634 21.745 ( -6.268 8.668 -2.776) 11.051 21.745 ( -6.268 8.668 2.776) 11.051 22.299 ( -9.122 -6.691 -14.226) 18.176 22.299 ( -9.122 -6.691 14.226) 18.176 ======================= Grid point 433 (135/144) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( 3.075 13.161 -13.150) 18.857 4.525 ( 3.075 13.161 13.150) 18.857 5.019 ( -1.362 7.562 -17.972) 19.546 5.019 ( -1.362 7.562 17.972) 19.546 5.549 ( 5.338 -4.807 -4.382) 8.414 5.549 ( 5.338 -4.807 4.382) 8.414 5.911 ( 0.808 -7.764 -15.451) 17.311 5.911 ( 0.808 -7.764 15.451) 17.311 6.202 ( 6.745 -0.112 -3.982) 7.834 6.202 ( 6.745 -0.112 3.982) 7.834 7.143 ( 1.516 -14.769 -11.597) 18.839 7.143 ( 1.516 -14.769 11.597) 18.839 7.931 ( 6.866 10.993 -10.459) 16.655 7.931 ( 6.866 10.993 10.459) 16.655 8.776 ( 2.901 -3.163 -3.645) 5.631 8.776 ( 2.901 -3.163 3.645) 5.631 9.264 ( -4.564 1.098 -23.425) 23.890 9.264 ( -4.564 1.098 23.425) 23.890 9.877 ( -1.380 3.186 -23.406) 23.662 9.877 ( -1.380 3.186 23.406) 23.662 10.430 ( -8.030 6.133 -18.101) 20.730 10.430 ( -8.030 6.133 18.101) 20.730 10.853 ( -12.976 -9.658 -9.948) 18.990 10.853 ( -12.976 -9.658 9.948) 18.990 11.409 ( 8.569 9.912 -6.798) 14.761 11.409 ( 8.569 9.912 6.798) 14.761 12.065 ( -18.473 7.194 -9.487) 21.977 12.065 ( -18.473 7.194 9.487) 21.977 12.799 ( -8.491 -4.969 -2.278) 10.098 12.799 ( -8.491 -4.969 2.278) 10.098 13.172 ( 8.475 -19.888 -12.145) 24.796 13.172 ( 8.475 -19.888 12.145) 24.796 13.844 ( 10.925 11.156 -9.615) 18.338 13.844 ( 10.925 11.156 9.615) 18.338 14.143 ( -4.774 10.261 -2.454) 11.580 14.143 ( -4.774 10.261 2.454) 11.580 14.511 ( 14.369 -0.185 -6.352) 15.712 14.511 ( 14.369 -0.185 6.352) 15.712 15.074 ( -9.250 0.609 -7.984) 12.234 15.074 ( -9.250 0.609 7.984) 12.234 15.365 ( 9.171 -8.074 -6.021) 13.622 15.365 ( 9.171 -8.074 6.021) 13.622 15.857 ( -7.311 17.160 -12.121) 22.245 15.857 ( -7.311 17.160 12.121) 22.245 16.297 ( 8.928 -6.268 -6.737) 12.821 16.297 ( 8.928 -6.268 6.737) 12.821 17.342 ( 10.248 -2.728 -11.812) 15.874 17.342 ( 10.248 -2.728 11.812) 15.874 17.947 ( 10.147 -3.296 -16.557) 19.697 17.947 ( 10.147 -3.296 16.557) 19.697 18.546 ( 13.112 -5.022 -6.451) 15.452 18.546 ( 13.112 -5.022 6.451) 15.452 19.364 ( -1.874 1.357 -6.777) 7.162 19.364 ( -1.874 1.357 6.777) 7.162 19.995 ( 3.444 -7.664 -4.684) 9.620 19.995 ( 3.444 -7.664 4.684) 9.620 21.574 ( -11.234 9.471 -2.805) 14.959 21.574 ( -11.234 9.471 2.805) 14.959 22.054 ( -15.944 -4.961 -13.373) 21.393 22.054 ( -15.944 -4.961 13.373) 21.393 ======================= Grid point 435 (136/144) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( 0.320 17.336 -9.221) 19.639 4.558 ( 0.320 17.336 9.221) 19.639 4.981 ( -2.487 6.917 -13.517) 15.386 4.981 ( -2.487 6.917 13.517) 15.386 5.679 ( 7.215 -7.470 -1.545) 10.500 5.679 ( 7.215 -7.470 1.545) 10.500 5.845 ( -4.492 -12.642 -12.456) 18.306 5.845 ( -4.492 -12.642 12.456) 18.306 6.386 ( 9.109 6.061 -7.444) 13.234 6.386 ( 9.109 6.061 7.444) 13.234 7.217 ( 7.111 -16.340 -5.891) 18.769 7.217 ( 7.111 -16.340 5.891) 18.769 8.093 ( 9.471 13.431 -10.605) 19.559 8.093 ( 9.471 13.431 10.605) 19.559 8.817 ( 0.597 -1.777 -9.500) 9.683 8.817 ( 0.597 -1.777 9.500) 9.683 9.249 ( 3.344 1.823 -17.788) 18.191 9.249 ( 3.344 1.823 17.788) 18.191 9.773 ( -11.219 1.987 -19.262) 22.379 9.773 ( -11.219 1.987 19.262) 22.379 10.157 ( -16.897 -2.664 -11.067) 20.374 10.157 ( -16.897 -2.664 11.067) 20.374 10.662 ( -5.428 -11.201 -11.007) 16.615 10.662 ( -5.428 -11.201 11.007) 16.615 11.577 ( -9.213 7.914 -2.618) 12.424 11.577 ( -9.213 7.914 2.618) 12.424 11.787 ( 6.536 15.350 -15.934) 23.070 11.787 ( 6.536 15.350 15.934) 23.070 12.670 ( -4.271 -5.550 -7.314) 10.126 12.670 ( -4.271 -5.550 7.314) 10.126 13.349 ( 7.211 -17.311 -10.813) 21.647 13.349 ( 7.211 -17.311 10.813) 21.647 13.988 ( 1.496 18.727 -8.220) 20.507 13.988 ( 1.496 18.727 8.220) 20.507 14.118 ( 5.389 3.840 -3.714) 7.588 14.118 ( 5.389 3.840 3.714) 7.588 14.669 ( -0.203 3.844 -6.917) 7.916 14.669 ( -0.203 3.844 6.917) 7.916 14.932 ( -3.140 1.845 -10.381) 11.001 14.932 ( -3.140 1.845 10.381) 11.001 15.492 ( 2.645 -12.316 -3.649) 13.115 15.492 ( 2.645 -12.316 3.649) 13.115 15.736 ( -3.796 15.313 -8.129) 17.747 15.736 ( -3.796 15.313 8.129) 17.747 16.488 ( 10.646 -10.348 -4.485) 15.509 16.488 ( 10.646 -10.348 4.485) 15.509 17.521 ( 7.624 -9.698 -9.507) 15.575 17.521 ( 7.624 -9.698 9.507) 15.575 18.187 ( 14.499 1.566 -12.935) 19.493 18.187 ( 14.499 1.566 12.935) 19.493 18.822 ( 14.999 -0.015 -6.265) 16.255 18.822 ( 14.999 -0.015 6.265) 16.255 19.330 ( -1.473 2.498 -6.162) 6.810 19.330 ( -1.473 2.498 6.162) 6.810 20.058 ( 2.598 -13.103 -7.228) 15.188 20.058 ( 2.598 -13.103 7.228) 15.188 21.338 ( -12.645 10.507 -3.118) 16.734 21.338 ( -12.645 10.507 3.118) 16.734 21.716 ( -18.507 -1.885 -11.876) 22.071 21.716 ( -18.507 -1.885 11.876) 22.071 ======================= Grid point 437 (137/144) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.544 ( -1.305 22.811 -5.067) 23.403 4.544 ( -1.305 22.811 5.067) 23.403 4.943 ( -1.148 5.860 -8.883) 10.704 4.943 ( -1.148 5.860 8.883) 10.704 5.738 ( -1.684 -10.122 -6.772) 12.294 5.738 ( -1.684 -10.122 6.772) 12.294 5.819 ( 1.993 -10.895 -7.776) 13.533 5.819 ( 1.993 -10.895 7.776) 13.533 6.529 ( 6.009 7.674 -3.360) 10.310 6.529 ( 6.009 7.674 3.360) 10.310 7.393 ( 9.382 -19.462 -2.657) 21.769 7.393 ( 9.382 -19.462 2.657) 21.769 8.288 ( 10.988 12.630 -10.566) 19.796 8.288 ( 10.988 12.630 10.566) 19.796 8.792 ( -3.107 -0.243 -14.310) 14.646 8.792 ( -3.107 -0.243 14.310) 14.646 9.317 ( -4.136 5.568 -14.809) 16.353 9.317 ( -4.136 5.568 14.809) 16.353 9.467 ( -10.995 -1.118 -19.334) 22.269 9.467 ( -10.995 -1.118 19.334) 22.269 9.956 ( -3.950 -5.324 -5.695) 8.740 9.956 ( -3.950 -5.324 5.695) 8.740 10.576 ( -4.779 -14.028 -8.235) 16.954 10.576 ( -4.779 -14.028 8.235) 16.954 11.319 ( -9.816 14.410 -2.168) 17.570 11.319 ( -9.816 14.410 2.168) 17.570 12.018 ( 8.666 -2.399 -10.308) 13.678 12.018 ( 8.666 -2.399 10.308) 13.678 12.681 ( 6.111 6.553 -7.853) 11.914 12.681 ( 6.111 6.553 7.853) 11.914 13.379 ( -4.148 -8.030 -5.417) 10.537 13.379 ( -4.148 -8.030 5.417) 10.537 13.981 ( -0.103 14.241 -4.538) 14.947 13.981 ( -0.103 14.241 4.538) 14.947 14.282 ( 8.774 2.445 -6.551) 11.219 14.282 ( 8.774 2.445 6.551) 11.219 14.579 ( -4.586 6.152 -12.340) 14.531 14.579 ( -4.586 6.152 12.340) 14.531 14.892 ( -4.079 8.689 -6.203) 11.429 14.892 ( -4.079 8.689 6.203) 11.429 15.498 ( 0.262 2.777 -3.239) 4.274 15.498 ( 0.262 2.777 3.239) 4.274 15.711 ( -0.452 -11.346 -0.981) 11.397 15.711 ( -0.452 -11.346 0.981) 11.397 16.678 ( 8.285 -9.800 -2.653) 13.104 16.678 ( 8.285 -9.800 2.653) 13.104 17.618 ( 2.630 -16.654 -4.462) 17.441 17.618 ( 2.630 -16.654 4.462) 17.441 18.461 ( 12.452 12.079 -8.311) 19.236 18.461 ( 12.452 12.079 8.311) 19.236 19.087 ( 11.714 1.799 -8.639) 14.666 19.087 ( 11.714 1.799 8.639) 14.666 19.311 ( -0.716 -2.947 -2.765) 4.104 19.311 ( -0.716 -2.947 2.765) 4.104 20.079 ( -0.464 -16.405 -7.994) 18.255 20.079 ( -0.464 -16.405 7.994) 18.255 21.133 ( -7.596 10.899 -3.350) 13.701 21.133 ( -7.596 10.899 3.350) 13.701 21.387 ( -14.489 2.354 -8.728) 17.078 21.387 ( -14.489 2.354 8.728) 17.078 ======================= Grid point 439 (138/144) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.528 ( 0.000 25.608 -0.000) 25.608 4.528 ( 0.000 25.608 0.000) 25.608 4.934 ( 0.000 5.134 0.000) 5.134 4.934 ( 0.000 5.134 0.000) 5.134 5.715 ( 0.000 -9.522 -0.000) 9.522 5.715 ( 0.000 -9.522 0.000) 9.522 5.838 ( 0.000 -11.685 -0.000) 11.685 5.838 ( 0.000 -11.685 0.000) 11.685 6.594 ( 0.000 8.718 0.000) 8.718 6.594 ( 0.000 8.718 0.000) 8.718 7.497 ( 0.000 -20.888 -0.000) 20.888 7.497 ( 0.000 -20.888 0.000) 20.888 8.450 ( 0.000 9.651 -0.000) 9.651 8.450 ( 0.000 9.651 0.000) 9.651 8.725 ( 0.000 1.600 0.000) 1.600 8.725 ( 0.000 1.600 0.000) 1.600 9.145 ( 0.000 6.618 -0.000) 6.618 9.145 ( 0.000 6.618 0.000) 6.618 9.453 ( 0.000 -2.134 -0.000) 2.134 9.453 ( 0.000 -2.134 0.000) 2.134 9.937 ( 0.000 -4.870 -0.000) 4.870 9.937 ( 0.000 -4.870 0.000) 4.870 10.512 ( 0.000 -14.369 0.000) 14.369 10.512 ( 0.000 -14.369 0.000) 14.369 11.232 ( 0.000 14.841 0.000) 14.841 11.232 ( 0.000 14.841 0.000) 14.841 12.088 ( 0.000 -12.463 0.000) 12.463 12.088 ( 0.000 -12.463 0.000) 12.463 12.795 ( -0.000 16.553 0.000) 16.553 12.795 ( 0.000 16.553 0.000) 16.553 13.293 ( 0.000 -3.879 0.000) 3.879 13.293 ( 0.000 -3.879 0.000) 3.879 13.985 ( 0.000 12.923 0.000) 12.923 13.985 ( 0.000 12.923 0.000) 12.923 14.367 ( 0.000 -1.768 0.000) 1.768 14.367 ( 0.000 -1.768 0.000) 1.768 14.565 ( 0.000 4.189 0.000) 4.189 14.565 ( 0.000 4.189 0.000) 4.189 14.814 ( 0.000 16.447 0.000) 16.447 14.814 ( -0.000 16.447 0.000) 16.447 15.510 ( 0.000 12.547 0.000) 12.547 15.510 ( 0.000 12.547 0.000) 12.547 15.702 ( 0.000 -26.818 0.000) 26.818 15.702 ( 0.000 -26.818 0.000) 26.818 16.765 ( 0.000 -8.676 -0.000) 8.676 16.765 ( 0.000 -8.676 0.000) 8.676 17.639 ( 0.000 -19.232 0.000) 19.232 17.639 ( 0.000 -19.232 0.000) 19.232 18.593 ( -0.000 19.985 0.000) 19.985 18.593 ( 0.000 19.985 0.000) 19.985 19.226 ( 0.000 0.020 -0.000) 0.020 19.226 ( 0.000 0.020 0.000) 0.020 19.289 ( 0.000 -7.986 -0.000) 7.986 19.289 ( 0.000 -7.986 0.000) 7.986 20.066 ( 0.000 -16.934 0.000) 16.934 20.066 ( 0.000 -16.934 0.000) 16.934 21.065 ( 0.000 10.131 -0.000) 10.131 21.065 ( 0.000 10.131 0.000) 10.131 21.230 ( 0.000 5.243 -0.000) 5.243 21.230 ( 0.000 5.243 0.000) 5.243 ======================= Grid point 451 (139/144) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 0.000 17.122 -16.430) 23.730 4.689 ( 0.000 17.122 16.430) 23.730 5.088 ( 0.000 -14.965 -22.731) 27.215 5.088 ( 0.000 -14.965 22.731) 27.215 5.509 ( 0.000 10.880 -16.288) 19.587 5.509 ( 0.000 10.880 16.288) 19.587 5.722 ( 0.000 2.564 -9.869) 10.197 5.722 ( 0.000 2.564 9.869) 10.197 6.021 ( 0.000 -9.223 -1.677) 9.374 6.021 ( 0.000 -9.223 1.677) 9.374 6.811 ( 0.000 -9.846 -10.004) 14.036 6.811 ( 0.000 -9.846 10.004) 14.036 7.997 ( 0.000 6.391 -6.534) 9.140 7.997 ( 0.000 6.391 6.534) 9.140 8.601 ( 0.000 -4.116 -1.943) 4.551 8.601 ( 0.000 -4.116 1.943) 4.551 9.475 ( 0.000 1.344 -14.016) 14.080 9.475 ( 0.000 1.344 14.016) 14.080 9.970 ( 0.000 1.407 -17.490) 17.547 9.970 ( 0.000 1.407 17.490) 17.547 10.691 ( 0.000 11.402 -12.876) 17.199 10.691 ( 0.000 11.402 12.876) 17.199 11.091 ( 0.000 0.945 -3.398) 3.527 11.091 ( 0.000 0.945 3.398) 3.527 11.600 ( 0.000 7.283 -10.356) 12.661 11.600 ( 0.000 7.283 10.356) 12.661 11.919 ( 0.000 -20.583 -23.432) 31.188 11.919 ( 0.000 -20.583 23.432) 31.188 12.724 ( 0.000 -5.341 -1.054) 5.444 12.724 ( 0.000 -5.341 1.054) 5.444 13.450 ( 0.000 7.068 -2.375) 7.457 13.450 ( 0.000 7.068 2.375) 7.457 13.601 ( 0.000 -5.890 -2.548) 6.418 13.601 ( 0.000 -5.890 2.548) 6.418 14.013 ( 0.000 4.191 -3.054) 5.186 14.013 ( 0.000 4.191 3.054) 5.186 14.514 ( 0.000 8.211 -2.762) 8.663 14.514 ( 0.000 8.211 2.762) 8.663 15.024 ( 0.000 -2.897 -1.705) 3.361 15.024 ( 0.000 -2.897 1.705) 3.361 15.354 ( 0.000 3.346 -1.988) 3.892 15.354 ( 0.000 3.346 1.988) 3.892 16.011 ( 0.000 -4.942 -0.301) 4.951 16.011 ( 0.000 -4.942 0.301) 4.951 16.194 ( 0.000 3.741 -2.611) 4.562 16.194 ( 0.000 3.741 2.611) 4.562 17.254 ( 0.000 13.499 -3.357) 13.910 17.254 ( 0.000 13.499 3.357) 13.910 17.584 ( 0.000 -14.669 -7.778) 16.603 17.584 ( 0.000 -14.669 7.778) 16.603 18.119 ( 0.000 -2.137 -3.886) 4.435 18.119 ( 0.000 -2.137 3.886) 4.435 19.350 ( 0.000 -1.539 -1.533) 2.172 19.350 ( 0.000 -1.539 1.533) 2.172 19.907 ( 0.000 -0.736 -1.367) 1.553 19.907 ( 0.000 -0.736 1.367) 1.553 21.969 ( 0.000 6.782 -3.973) 7.861 21.969 ( 0.000 6.782 3.973) 7.861 22.244 ( 0.000 -6.260 -8.081) 10.222 22.244 ( 0.000 -6.260 8.081) 10.222 ======================= Grid point 453 (140/144) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.736 ( 4.616 16.952 -15.852) 23.663 4.736 ( 4.616 16.952 15.852) 23.663 5.098 ( 0.552 -11.277 -21.935) 24.670 5.098 ( 0.552 -11.277 21.935) 24.670 5.456 ( -2.758 6.861 -12.389) 14.428 5.456 ( -2.758 6.861 12.389) 14.428 5.732 ( -2.257 -7.296 -9.046) 11.839 5.732 ( -2.257 -7.296 9.046) 11.839 6.094 ( 8.656 0.551 -2.913) 9.149 6.094 ( 8.656 0.551 2.913) 9.149 6.847 ( 3.061 -9.163 -9.523) 13.565 6.847 ( 3.061 -9.163 9.523) 13.565 8.020 ( 2.888 6.474 -6.043) 9.315 8.020 ( 2.888 6.474 6.043) 9.315 8.638 ( 3.715 -3.335 -1.726) 5.282 8.638 ( 3.715 -3.335 1.726) 5.282 9.391 ( -7.595 0.143 -12.511) 14.637 9.391 ( -7.595 0.143 12.511) 14.637 9.972 ( 0.095 2.434 -15.025) 15.221 9.972 ( 0.095 2.434 15.025) 15.221 10.679 ( -3.746 8.282 -10.988) 14.260 10.679 ( -3.746 8.282 10.988) 14.260 10.970 ( -11.419 -3.927 -5.515) 13.276 10.970 ( -11.419 -3.927 5.515) 13.276 11.581 ( -0.190 13.528 -12.277) 18.269 11.581 ( -0.190 13.528 12.277) 18.269 12.008 ( 8.939 -17.995 -18.875) 27.568 12.008 ( 8.939 -17.995 18.875) 27.568 12.733 ( 0.047 -5.264 -2.755) 5.942 12.733 ( 0.047 -5.264 2.755) 5.942 13.198 ( -23.737 2.289 -0.870) 23.863 13.198 ( -23.737 2.289 0.870) 23.863 13.652 ( 12.125 -2.106 -1.851) 12.445 13.652 ( 12.125 -2.106 1.851) 12.445 14.228 ( 11.490 0.800 -2.854) 11.866 14.228 ( 11.490 0.800 2.854) 11.866 14.529 ( 3.015 14.281 -4.061) 15.150 14.529 ( 3.015 14.281 4.061) 15.150 15.009 ( -1.565 -8.130 -3.714) 9.074 15.009 ( -1.565 -8.130 3.714) 9.074 15.350 ( -0.341 5.114 -1.129) 5.248 15.350 ( -0.341 5.114 1.129) 5.248 15.999 ( 0.595 -5.545 -3.498) 6.584 15.999 ( 0.595 -5.545 3.498) 6.584 16.222 ( 0.977 4.815 -2.053) 5.325 16.222 ( 0.977 4.815 2.053) 5.325 17.278 ( 2.029 9.305 -4.767) 10.650 17.278 ( 2.029 9.305 4.767) 10.650 17.629 ( 5.641 -12.130 -7.455) 15.314 17.629 ( 5.641 -12.130 7.455) 15.314 18.236 ( 11.440 -1.278 -3.096) 11.920 18.236 ( 11.440 -1.278 3.096) 11.920 19.368 ( 1.906 -0.536 -2.023) 2.831 19.368 ( 1.906 -0.536 2.023) 2.831 19.890 ( -1.725 -1.874 -1.455) 2.933 19.890 ( -1.725 -1.874 1.455) 2.933 21.913 ( -5.705 7.143 -4.141) 10.036 21.913 ( -5.705 7.143 4.141) 10.036 22.162 ( -8.357 -6.258 -8.171) 13.257 22.162 ( -8.357 -6.258 8.171) 13.257 ======================= Grid point 455 (141/144) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.839 ( 5.218 17.043 -13.635) 22.441 4.839 ( 5.218 17.043 13.635) 22.441 5.095 ( -0.636 -3.309 -16.920) 17.252 5.095 ( -0.636 -3.309 16.920) 17.252 5.462 ( 3.430 -1.647 -5.363) 6.576 5.462 ( 3.430 -1.647 5.363) 6.576 5.637 ( -6.009 -12.710 -7.058) 15.732 5.637 ( -6.009 -12.710 7.058) 15.732 6.312 ( 12.403 5.600 -6.322) 15.005 6.312 ( 12.403 5.600 6.322) 15.005 6.901 ( 2.404 -7.818 -7.375) 11.014 6.901 ( 2.404 -7.818 7.375) 11.014 8.129 ( 8.553 6.722 -5.105) 12.016 8.129 ( 8.553 6.722 5.105) 12.016 8.728 ( 4.827 -1.650 -1.423) 5.295 8.728 ( 4.827 -1.650 1.423) 5.295 9.255 ( -4.671 -1.035 -11.180) 12.161 9.255 ( -4.671 -1.035 11.180) 12.161 9.952 ( -3.167 2.979 -11.174) 11.990 9.952 ( -3.167 2.979 11.174) 11.990 10.487 ( -16.217 0.628 -7.732) 17.977 10.487 ( -16.217 0.628 7.732) 17.977 10.694 ( -15.339 -4.938 -3.489) 16.488 10.694 ( -15.339 -4.938 3.489) 16.488 11.670 ( 7.733 12.108 -9.387) 17.162 11.670 ( 7.733 12.108 9.387) 17.162 12.143 ( 1.087 0.227 -9.588) 9.653 12.143 ( 1.087 0.227 9.588) 9.653 12.714 ( -7.451 -1.991 -2.973) 8.266 12.714 ( -7.451 -1.991 2.973) 8.266 12.824 ( -3.557 -12.506 -4.536) 13.770 12.824 ( -3.557 -12.506 4.536) 13.770 13.947 ( 16.222 2.049 -3.527) 16.727 13.947 ( 16.222 2.049 3.527) 16.727 14.304 ( -1.290 0.829 -0.993) 1.827 14.304 ( -1.290 0.829 0.993) 1.827 14.655 ( 7.264 16.072 -2.649) 17.835 14.655 ( 7.264 16.072 2.649) 17.835 14.968 ( -2.188 -12.111 -1.285) 12.373 14.968 ( -2.188 -12.111 1.285) 12.373 15.343 ( -0.434 4.137 -1.599) 4.457 15.343 ( -0.434 4.137 1.599) 4.457 16.077 ( 7.465 -3.912 -4.349) 9.484 16.077 ( 7.465 -3.912 4.349) 9.484 16.180 ( -5.331 4.483 -2.459) 7.387 16.180 ( -5.331 4.483 2.459) 7.387 17.309 ( 0.961 -0.972 -5.532) 5.698 17.309 ( 0.961 -0.972 5.532) 5.698 17.830 ( 15.302 -5.133 -5.050) 16.912 17.830 ( 15.302 -5.133 5.050) 16.912 18.519 ( 17.203 0.464 -1.628) 17.286 18.519 ( 17.203 0.464 1.628) 17.286 19.417 ( 2.900 3.012 -2.447) 4.844 19.417 ( 2.900 3.012 2.447) 4.844 19.843 ( -3.130 -5.931 -2.220) 7.064 19.843 ( -3.130 -5.931 2.220) 7.064 21.756 ( -10.542 8.015 -4.559) 14.006 21.756 ( -10.542 8.015 4.559) 14.006 21.941 ( -14.085 -6.089 -8.330) 17.460 21.941 ( -14.085 -6.089 8.330) 17.460 ======================= Grid point 457 (142/144) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.912 ( 2.555 16.865 -10.833) 20.207 4.912 ( 2.555 16.865 10.833) 20.207 5.092 ( 0.322 1.662 -12.858) 12.969 5.092 ( 0.322 1.662 12.858) 12.969 5.529 ( -1.128 -8.360 -8.719) 12.132 5.529 ( -1.128 -8.360 8.719) 12.132 5.563 ( 1.925 -9.955 -14.876) 18.003 5.563 ( 1.925 -9.955 14.876) 18.003 6.531 ( 10.369 6.421 -6.163) 13.665 6.531 ( 10.369 6.421 6.163) 13.665 6.955 ( 3.837 -8.761 -4.310) 10.491 6.955 ( 3.837 -8.761 4.310) 10.491 8.327 ( 11.304 7.908 -4.430) 14.489 8.327 ( 11.304 7.908 4.430) 14.489 8.784 ( 0.738 -1.445 -4.837) 5.101 8.784 ( 0.738 -1.445 4.837) 5.101 9.265 ( 5.485 0.222 -9.518) 10.988 9.265 ( 5.485 0.222 9.518) 10.988 9.814 ( -11.907 1.289 -7.130) 13.938 9.814 ( -11.907 1.289 7.130) 13.938 10.112 ( -19.765 -0.500 -6.392) 20.779 10.112 ( -19.765 -0.499 6.392) 20.779 10.451 ( -10.211 -7.960 -6.064) 14.296 10.451 ( -10.211 -7.960 6.064) 14.296 11.737 ( -3.089 6.188 -0.845) 6.967 11.737 ( -3.089 6.188 0.845) 6.967 12.019 ( -9.630 5.488 -8.198) 13.786 12.019 ( -9.630 5.488 8.198) 13.786 12.665 ( 7.539 7.428 -5.008) 11.709 12.665 ( 7.539 7.428 5.008) 11.709 12.987 ( 12.522 -17.916 -10.288) 24.158 12.987 ( 12.522 -17.916 10.288) 24.158 14.204 ( 9.336 4.731 -3.723) 11.109 14.204 ( 9.336 4.731 3.723) 11.109 14.261 ( -2.270 5.159 -1.841) 5.929 14.261 ( -2.270 5.159 1.841) 5.929 14.726 ( 0.556 4.346 -5.617) 7.124 14.726 ( 0.556 4.346 5.617) 7.124 14.963 ( 2.185 -3.051 -8.769) 9.538 14.963 ( 2.185 -3.051 8.769) 9.538 15.323 ( -1.774 -0.425 -3.277) 3.750 15.323 ( -1.774 -0.425 3.277) 3.751 15.982 ( -12.655 3.049 -5.643) 14.188 15.982 ( -12.655 3.049 5.643) 14.188 16.320 ( 15.057 -1.648 -2.051) 15.285 16.320 ( 15.057 -1.648 2.051) 15.285 17.310 ( -1.144 -8.779 -4.093) 9.754 17.310 ( -1.144 -8.779 4.093) 9.754 18.188 ( 21.260 -0.326 -3.100) 21.487 18.188 ( 21.260 -0.326 3.100) 21.487 18.862 ( 17.853 1.876 -1.471) 18.011 18.862 ( 17.853 1.876 1.471) 18.011 19.453 ( -0.157 9.596 -3.261) 10.137 19.453 ( -0.157 9.596 3.261) 10.137 19.777 ( -3.407 -13.796 -4.926) 15.040 19.777 ( -3.407 -13.796 4.926) 15.040 21.526 ( -12.711 8.134 -4.291) 15.689 21.526 ( -12.711 8.134 4.291) 15.689 21.654 ( -15.028 -4.647 -7.491) 17.422 21.654 ( -15.028 -4.647 7.491) 17.422 ======================= Grid point 459 (143/144) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( 2.785 16.841 -9.568) 19.568 4.960 ( 2.785 16.841 9.568) 19.568 5.093 ( -0.482 7.138 -10.944) 13.075 5.093 ( -0.482 7.138 10.944) 13.075 5.497 ( -0.638 -11.882 -5.563) 13.136 5.497 ( -0.638 -11.882 5.564) 13.136 5.593 ( -0.685 -9.789 -6.094) 11.551 5.593 ( -0.685 -9.789 6.093) 11.551 6.714 ( 8.346 9.966 -3.122) 13.369 6.714 ( 8.346 9.966 3.122) 13.369 7.048 ( 5.034 -13.914 -1.709) 14.895 7.048 ( 5.034 -13.914 1.709) 14.895 8.534 ( 9.865 9.336 -5.335) 14.593 8.534 ( 9.865 9.336 5.335) 14.593 8.776 ( -1.151 -1.449 -9.014) 9.202 8.776 ( -1.151 -1.449 9.014) 9.202 9.370 ( 1.724 -0.031 -8.308) 8.485 9.370 ( 1.724 -0.031 8.308) 8.485 9.511 ( -16.106 4.000 -8.182) 18.503 9.511 ( -16.106 4.000 8.182) 18.503 9.872 ( -3.326 -1.221 -0.964) 3.672 9.872 ( -3.326 -1.221 0.964) 3.672 10.273 ( -8.881 -12.908 -5.536) 16.618 10.273 ( -8.881 -12.908 5.536) 16.618 11.613 ( -6.509 14.140 -2.709) 15.800 11.613 ( -6.509 14.140 2.709) 15.800 11.884 ( -4.607 -10.137 -4.750) 12.106 11.884 ( -4.607 -10.137 4.750) 12.106 12.901 ( 13.802 13.406 -5.301) 19.958 12.901 ( 13.802 13.406 5.301) 19.958 13.185 ( 6.323 -11.477 -6.022) 14.421 13.185 ( 6.323 -11.477 6.022) 14.421 14.223 ( -1.269 8.123 -3.236) 8.835 14.223 ( -1.269 8.123 3.236) 8.835 14.305 ( 1.980 -0.261 -2.220) 2.986 14.305 ( 1.980 -0.261 2.220) 2.986 14.725 ( -0.005 9.820 -5.807) 11.408 14.725 ( -0.005 9.820 5.807) 11.408 15.034 ( 4.243 -6.009 -8.985) 11.612 15.034 ( 4.243 -6.009 8.985) 11.612 15.286 ( -1.376 0.114 -2.341) 2.718 15.286 ( -1.376 0.114 2.341) 2.718 15.720 ( -13.171 -3.322 -6.159) 14.915 15.720 ( -13.171 -3.322 6.159) 14.915 16.619 ( 14.544 4.976 -1.596) 15.454 16.619 ( 14.544 4.976 1.596) 15.454 17.257 ( -4.243 -15.863 -2.302) 16.582 17.257 ( -4.243 -15.863 2.302) 16.582 18.611 ( 22.005 3.274 -2.345) 22.370 18.611 ( 22.005 3.274 2.345) 22.370 19.160 ( 10.975 1.067 -1.672) 11.153 19.160 ( 10.975 1.067 1.672) 11.153 19.377 ( -7.127 12.779 -7.118) 16.271 19.377 ( -7.127 12.779 7.118) 16.271 19.726 ( -1.936 -18.460 -7.022) 19.845 19.726 ( -1.936 -18.460 7.022) 19.845 21.310 ( -8.611 6.612 -2.283) 11.094 21.310 ( -8.611 6.612 2.283) 11.094 21.399 ( -10.701 -1.500 -4.343) 11.645 21.399 ( -10.701 -1.500 4.343) 11.645 ======================= Grid point 461 (144/144) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.999 ( -0.000 19.077 -0.000) 19.077 4.999 ( 0.000 19.077 -0.000) 19.077 5.080 ( -0.000 7.961 0.000) 7.961 5.080 ( 0.000 7.961 0.000) 7.961 5.501 ( 0.000 -9.471 -0.000) 9.471 5.501 ( -0.000 -9.471 0.000) 9.471 5.568 ( 0.000 -14.169 -0.000) 14.169 5.568 ( 0.000 -14.169 0.000) 14.169 6.806 ( -0.000 12.728 0.000) 12.728 6.806 ( 0.000 12.728 0.000) 12.728 7.104 ( 0.000 -17.612 -0.000) 17.612 7.104 ( 0.000 -17.612 0.000) 17.612 8.662 ( 0.000 8.864 -0.000) 8.864 8.662 ( -0.000 8.864 0.000) 8.864 8.748 ( -0.000 -0.379 0.000) 0.379 8.748 ( 0.000 -0.379 0.000) 0.379 9.284 ( 0.000 7.163 -0.000) 7.163 9.284 ( 0.000 7.163 0.000) 7.163 9.403 ( 0.000 -3.995 -0.000) 3.995 9.403 ( 0.000 -3.995 0.000) 3.995 9.897 ( 0.000 4.568 -0.000) 4.568 9.897 ( 0.000 4.568 0.000) 4.568 10.155 ( -0.000 -18.876 -0.000) 18.876 10.155 ( 0.000 -18.876 0.000) 18.876 11.548 ( 0.000 15.911 0.000) 15.911 11.548 ( 0.000 15.911 0.000) 15.911 11.839 ( 0.000 -13.330 0.000) 13.330 11.839 ( 0.000 -13.330 0.000) 13.330 13.073 ( 0.000 10.822 0.000) 10.822 13.073 ( 0.000 10.822 0.000) 10.822 13.220 ( 0.000 -4.586 0.000) 4.586 13.220 ( 0.000 -4.586 0.000) 4.586 14.213 ( 0.000 8.549 0.000) 8.549 14.213 ( 0.000 8.549 0.000) 8.549 14.319 ( 0.000 -3.219 0.000) 3.219 14.319 ( 0.000 -3.219 0.000) 3.219 14.727 ( -0.000 14.121 0.000) 14.121 14.727 ( 0.000 14.121 0.000) 14.121 15.080 ( 0.000 -9.282 0.000) 9.282 15.080 ( 0.000 -9.282 0.000) 9.282 15.286 ( 0.000 4.422 0.000) 4.422 15.286 ( 0.000 4.422 0.000) 4.422 15.564 ( -0.000 -9.365 -0.000) 9.365 15.564 ( 0.000 -9.365 0.000) 9.365 16.788 ( 0.000 13.238 0.000) 13.238 16.788 ( 0.000 13.238 0.000) 13.238 17.193 ( 0.000 -24.002 0.000) 24.002 17.193 ( 0.000 -24.002 0.000) 24.002 18.930 ( -0.000 12.728 0.000) 12.728 18.930 ( 0.000 12.728 0.000) 12.728 19.126 ( 0.000 -8.464 -0.000) 8.464 19.126 ( 0.000 -8.464 0.000) 8.464 19.357 ( -0.000 13.576 0.000) 13.576 19.357 ( 0.000 13.576 0.000) 13.576 19.703 ( 0.000 -19.143 0.000) 19.143 19.703 ( 0.000 -19.143 0.000) 19.143 21.227 ( 0.000 5.826 -0.000) 5.826 21.227 ( 0.000 5.826 0.000) 5.826 21.286 ( -0.000 0.032 -0.000) 0.032 21.286 ( 0.000 0.032 0.000) 0.032 =================== 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 3/42000 10.0 29437.572 31185.563 29013.138 0.000 0.000 0.000 3/42000 20.0 11866.058 10285.325 10037.771 0.000 0.000 0.000 3/42000 30.0 2706.654 2178.847 2291.523 0.000 0.000 0.000 3/42000 40.0 959.068 764.945 829.889 0.000 0.000 0.000 3/42000 50.0 456.956 370.460 402.630 0.000 0.000 0.000 3/42000 60.0 262.249 216.943 234.749 0.000 0.000 0.000 3/42000 70.0 170.041 143.258 154.520 0.000 0.000 -0.000 3/42000 80.0 119.876 102.487 110.508 0.000 0.000 -0.000 3/42000 90.0 89.723 77.561 83.827 0.000 0.000 -0.000 3/42000 100.0 70.215 61.189 66.409 0.000 0.000 -0.000 3/42000 110.0 56.871 49.849 54.381 0.000 0.000 -0.000 3/42000 120.0 47.338 41.668 45.703 0.000 0.000 -0.000 3/42000 130.0 40.287 35.569 39.220 0.000 0.000 -0.000 3/42000 140.0 34.920 30.900 34.238 0.000 0.000 -0.000 3/42000 150.0 30.734 27.242 30.317 0.000 0.000 -0.000 3/42000 160.0 27.402 24.319 27.168 0.000 0.000 -0.000 3/42000 170.0 24.701 21.943 24.596 0.000 0.000 -0.000 3/42000 180.0 22.476 19.982 22.462 0.000 0.000 -0.000 3/42000 190.0 20.617 18.341 20.668 0.000 0.000 -0.000 3/42000 200.0 19.045 16.951 19.142 0.000 0.000 -0.000 3/42000 210.0 17.701 15.760 17.829 0.000 0.000 -0.000 3/42000 220.0 16.539 14.730 16.689 0.000 0.000 -0.000 3/42000 230.0 15.526 13.830 15.691 0.000 0.000 -0.000 3/42000 240.0 14.635 13.039 14.811 0.000 0.000 -0.000 3/42000 250.0 13.846 12.337 14.028 0.000 0.000 -0.000 3/42000 260.0 13.141 11.711 13.327 0.000 0.000 -0.000 3/42000 270.0 12.510 11.149 12.697 0.000 0.000 -0.000 3/42000 280.0 11.939 10.641 12.127 0.000 0.000 -0.000 3/42000 290.0 11.422 10.180 11.608 0.000 0.000 -0.000 3/42000 300.0 10.950 9.760 11.134 0.000 0.000 -0.000 3/42000 310.0 10.518 9.375 10.700 0.000 0.000 -0.000 3/42000 320.0 10.121 9.021 10.300 0.000 0.000 -0.000 3/42000 330.0 9.755 8.695 9.931 0.000 0.000 -0.000 3/42000 340.0 9.415 8.392 9.588 0.000 0.000 -0.000 3/42000 350.0 9.100 8.112 9.270 0.000 0.000 -0.000 3/42000 360.0 8.807 7.850 8.973 0.000 0.000 -0.000 3/42000 370.0 8.533 7.606 8.696 0.000 0.000 -0.000 3/42000 380.0 8.277 7.377 8.436 0.000 0.000 -0.000 3/42000 390.0 8.036 7.162 8.192 0.000 0.000 -0.000 3/42000 400.0 7.809 6.960 7.963 0.000 0.000 -0.000 3/42000 410.0 7.596 6.770 7.746 0.000 0.000 -0.000 3/42000 420.0 7.395 6.590 7.541 0.000 0.000 -0.000 3/42000 430.0 7.204 6.421 7.348 0.000 0.000 -0.000 3/42000 440.0 7.024 6.260 7.164 0.000 0.000 -0.000 3/42000 450.0 6.853 6.107 6.990 0.000 0.000 -0.000 3/42000 460.0 6.690 5.962 6.825 0.000 0.000 -0.000 3/42000 470.0 6.535 5.824 6.667 0.000 0.000 -0.000 3/42000 480.0 6.387 5.692 6.517 0.000 0.000 -0.000 3/42000 490.0 6.247 5.566 6.374 0.000 0.000 -0.000 3/42000 500.0 6.112 5.446 6.237 0.000 0.000 -0.000 3/42000 510.0 5.983 5.332 6.106 0.000 0.000 -0.000 3/42000 520.0 5.860 5.222 5.980 0.000 0.000 -0.000 3/42000 530.0 5.742 5.117 5.860 0.000 0.000 -0.000 3/42000 540.0 5.629 5.016 5.745 0.000 0.000 -0.000 3/42000 550.0 5.520 4.919 5.634 0.000 0.000 -0.000 3/42000 560.0 5.416 4.826 5.528 0.000 0.000 -0.000 3/42000 570.0 5.316 4.736 5.425 0.000 0.000 -0.000 3/42000 580.0 5.219 4.650 5.327 0.000 0.000 -0.000 3/42000 590.0 5.126 4.567 5.232 0.000 0.000 -0.000 3/42000 600.0 5.036 4.487 5.140 0.000 0.000 -0.000 3/42000 610.0 4.949 4.410 5.052 0.000 0.000 -0.000 3/42000 620.0 4.866 4.335 4.967 0.000 0.000 -0.000 3/42000 630.0 4.785 4.263 4.884 0.000 0.000 -0.000 3/42000 640.0 4.707 4.193 4.805 0.000 0.000 -0.000 3/42000 650.0 4.631 4.126 4.728 0.000 0.000 -0.000 3/42000 660.0 4.558 4.061 4.653 0.000 0.000 -0.000 3/42000 670.0 4.488 3.998 4.581 0.000 0.000 -0.000 3/42000 680.0 4.419 3.937 4.511 0.000 0.000 -0.000 3/42000 690.0 4.353 3.878 4.443 0.000 0.000 -0.000 3/42000 700.0 4.288 3.820 4.377 0.000 0.000 -0.000 3/42000 710.0 4.226 3.764 4.314 0.000 0.000 -0.000 3/42000 720.0 4.165 3.710 4.252 0.000 0.000 -0.000 3/42000 730.0 4.106 3.658 4.192 0.000 0.000 -0.000 3/42000 740.0 4.049 3.607 4.133 0.000 0.000 -0.000 3/42000 750.0 3.993 3.557 4.076 0.000 0.000 -0.000 3/42000 760.0 3.939 3.509 4.021 0.000 0.000 -0.000 3/42000 770.0 3.886 3.462 3.967 0.000 0.000 -0.000 3/42000 780.0 3.835 3.416 3.915 0.000 0.000 -0.000 3/42000 790.0 3.785 3.372 3.864 0.000 0.000 -0.000 3/42000 800.0 3.737 3.329 3.815 0.000 0.000 -0.000 3/42000 810.0 3.689 3.286 3.766 0.000 0.000 -0.000 3/42000 820.0 3.643 3.245 3.719 0.000 0.000 -0.000 3/42000 830.0 3.598 3.205 3.673 0.000 0.000 -0.000 3/42000 840.0 3.554 3.166 3.628 0.000 0.000 -0.000 3/42000 850.0 3.511 3.128 3.585 0.000 0.000 -0.000 3/42000 860.0 3.470 3.091 3.542 0.000 0.000 -0.000 3/42000 870.0 3.429 3.054 3.500 0.000 0.000 -0.000 3/42000 880.0 3.389 3.019 3.460 0.000 0.000 -0.000 3/42000 890.0 3.350 2.984 3.420 0.000 0.000 -0.000 3/42000 900.0 3.312 2.950 3.381 0.000 0.000 -0.000 3/42000 910.0 3.275 2.917 3.343 0.000 0.000 -0.000 3/42000 920.0 3.239 2.885 3.306 0.000 0.000 -0.000 3/42000 930.0 3.203 2.853 3.270 0.000 0.000 -0.000 3/42000 940.0 3.168 2.822 3.235 0.000 0.000 -0.000 3/42000 950.0 3.135 2.792 3.200 0.000 0.000 -0.000 3/42000 960.0 3.101 2.762 3.166 0.000 0.000 -0.000 3/42000 970.0 3.069 2.733 3.133 0.000 0.000 -0.000 3/42000 980.0 3.037 2.705 3.100 0.000 0.000 -0.000 3/42000 990.0 3.006 2.677 3.068 0.000 0.000 -0.000 3/42000 1000.0 2.975 2.650 3.037 0.000 0.000 -0.000 3/42000 Thermal conductivity related properties were written into "kappa-m10710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:16:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|