----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:12:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.362561425000000 -3.723104049999999 0.000000000000000 b 5.362561425000000 3.723104049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.788223720000000 Atomic positions (fractional): *1 Rb 0.19647675880282 0.48217262692476 0.25414926341508 85.468 2 Rb 0.48217262692476 0.19647675880282 0.75414926341508 85.468 3 Rb 0.80352324119718 0.51782737307524 0.75414926341508 85.468 4 Rb 0.51782737307524 0.80352324119718 0.25414926341508 85.468 *5 Sn 0.08689656881268 0.91310343118732 0.73841640796857 118.710 6 Sn 0.91310343118732 0.08689656881268 0.23841640796857 118.710 *7 O 0.11499220592188 0.13612257128502 0.49388626385770 15.999 8 O 0.13612257128502 0.11499220592188 0.99388626385770 15.999 *9 O 0.34684876575954 0.65315123424046 0.70551054748585 15.999 10 O 0.65315123424046 0.34684876575954 0.20551054748585 15.999 11 O 0.88500779407812 0.86387742871498 0.99388626385770 15.999 12 O 0.86387742871498 0.88500779407812 0.49388626385770 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.725122850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.446208099999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.788223720000000 Atomic positions (fractional): *1 Rb 0.33932469286379 0.14284793406097 0.25414926341508 85.468 > 1 2 Rb 0.33932469286379 0.85715206593903 0.75414926341508 85.468 > 2 3 Rb 0.66067530713621 0.85715206593903 0.75414926341508 85.468 > 3 4 Rb 0.66067530713621 0.14284793406097 0.25414926341508 85.468 > 4 5 Rb 0.83932469286379 0.64284793406097 0.25414926341508 85.468 > 1 6 Rb 0.83932469286379 0.35715206593903 0.75414926341508 85.468 > 2 7 Rb 0.16067530713621 0.35715206593903 0.75414926341508 85.468 > 3 8 Rb 0.16067530713621 0.64284793406097 0.25414926341508 85.468 > 4 *9 Sn 0.50000000000000 0.41310343118732 0.73841640796857 118.710 > 5 10 Sn 0.50000000000000 0.58689656881268 0.23841640796857 118.710 > 6 11 Sn 0.00000000000000 0.91310343118732 0.73841640796857 118.710 > 5 12 Sn 0.00000000000000 0.08689656881268 0.23841640796857 118.710 > 6 *13 O 0.12555738860345 0.01056518268157 0.49388626385770 15.999 > 7 14 O 0.12555738860345 0.98943481731843 0.99388626385770 15.999 > 8 *15 O 0.50000000000000 0.15315123424046 0.70551054748585 15.999 > 9 16 O 0.50000000000000 0.84684876575954 0.20551054748585 15.999 > 10 17 O 0.87444261139655 0.98943481731843 0.99388626385770 15.999 > 11 18 O 0.87444261139655 0.01056518268157 0.49388626385770 15.999 > 12 19 O 0.62555738860345 0.51056518268157 0.49388626385770 15.999 > 7 20 O 0.62555738860345 0.48943481731843 0.99388626385770 15.999 > 8 21 O 0.00000000000000 0.65315123424046 0.70551054748585 15.999 > 9 22 O 0.00000000000000 0.34684876575954 0.20551054748585 15.999 > 10 23 O 0.37444261139655 0.48943481731843 0.99388626385770 15.999 > 11 24 O 0.37444261139655 0.51056518268157 0.49388626385770 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.725122850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.892416199999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.576447440000001 Atomic positions (fractional): *1 Rb 0.33932469286379 0.07142396703048 0.12707463170754 85.468 > 1 2 Rb 0.33932469286379 0.57142396703049 0.12707463170754 85.468 > 1 3 Rb 0.33932469286379 0.07142396703048 0.62707463170754 85.468 > 1 4 Rb 0.33932469286379 0.57142396703049 0.62707463170754 85.468 > 1 5 Rb 0.33932469286379 0.42857603296951 0.37707463170754 85.468 > 2 6 Rb 0.33932469286379 0.92857603296951 0.37707463170754 85.468 > 2 7 Rb 0.33932469286379 0.42857603296951 0.87707463170754 85.468 > 2 8 Rb 0.33932469286379 0.92857603296951 0.87707463170754 85.468 > 2 9 Rb 0.66067530713621 0.42857603296951 0.37707463170754 85.468 > 3 10 Rb 0.66067530713621 0.92857603296951 0.37707463170754 85.468 > 3 11 Rb 0.66067530713621 0.42857603296951 0.87707463170754 85.468 > 3 12 Rb 0.66067530713621 0.92857603296951 0.87707463170754 85.468 > 3 13 Rb 0.66067530713621 0.07142396703048 0.12707463170754 85.468 > 4 14 Rb 0.66067530713621 0.57142396703049 0.12707463170754 85.468 > 4 15 Rb 0.66067530713621 0.07142396703048 0.62707463170754 85.468 > 4 16 Rb 0.66067530713621 0.57142396703049 0.62707463170754 85.468 > 4 17 Rb 0.83932469286379 0.32142396703049 0.12707463170754 85.468 > 1 18 Rb 0.83932469286379 0.82142396703049 0.12707463170754 85.468 > 1 19 Rb 0.83932469286379 0.32142396703049 0.62707463170754 85.468 > 1 20 Rb 0.83932469286379 0.82142396703049 0.62707463170754 85.468 > 1 21 Rb 0.83932469286379 0.17857603296951 0.37707463170754 85.468 > 2 22 Rb 0.83932469286379 0.67857603296951 0.37707463170754 85.468 > 2 23 Rb 0.83932469286379 0.17857603296951 0.87707463170754 85.468 > 2 24 Rb 0.83932469286379 0.67857603296951 0.87707463170754 85.468 > 2 25 Rb 0.16067530713621 0.17857603296951 0.37707463170754 85.468 > 3 26 Rb 0.16067530713621 0.67857603296951 0.37707463170754 85.468 > 3 27 Rb 0.16067530713621 0.17857603296951 0.87707463170754 85.468 > 3 28 Rb 0.16067530713621 0.67857603296951 0.87707463170754 85.468 > 3 29 Rb 0.16067530713621 0.32142396703049 0.12707463170754 85.468 > 4 30 Rb 0.16067530713621 0.82142396703049 0.12707463170754 85.468 > 4 31 Rb 0.16067530713621 0.32142396703049 0.62707463170754 85.468 > 4 32 Rb 0.16067530713621 0.82142396703049 0.62707463170754 85.468 > 4 *33 Sn 0.50000000000000 0.20655171559366 0.36920820398429 118.710 > 5 34 Sn 0.50000000000000 0.70655171559366 0.36920820398429 118.710 > 5 35 Sn 0.50000000000000 0.20655171559366 0.86920820398429 118.710 > 5 36 Sn 0.50000000000000 0.70655171559366 0.86920820398429 118.710 > 5 37 Sn 0.50000000000000 0.29344828440634 0.11920820398429 118.710 > 6 38 Sn 0.50000000000000 0.79344828440634 0.11920820398429 118.710 > 6 39 Sn 0.50000000000000 0.29344828440634 0.61920820398429 118.710 > 6 40 Sn 0.50000000000000 0.79344828440634 0.61920820398429 118.710 > 6 41 Sn 0.00000000000000 0.45655171559366 0.36920820398429 118.710 > 5 42 Sn 0.00000000000000 0.95655171559366 0.36920820398429 118.710 > 5 43 Sn 0.00000000000000 0.45655171559366 0.86920820398429 118.710 > 5 44 Sn 0.00000000000000 0.95655171559366 0.86920820398429 118.710 > 5 45 Sn 0.00000000000000 0.04344828440634 0.11920820398429 118.710 > 6 46 Sn 0.00000000000000 0.54344828440634 0.11920820398429 118.710 > 6 47 Sn 0.00000000000000 0.04344828440634 0.61920820398429 118.710 > 6 48 Sn 0.00000000000000 0.54344828440634 0.61920820398429 118.710 > 6 *49 O 0.12555738860345 0.00528259134079 0.24694313192885 15.999 > 7 50 O 0.12555738860345 0.50528259134079 0.24694313192885 15.999 > 7 51 O 0.12555738860345 0.00528259134079 0.74694313192885 15.999 > 7 52 O 0.12555738860345 0.50528259134079 0.74694313192885 15.999 > 7 53 O 0.12555738860345 0.49471740865921 0.49694313192885 15.999 > 8 54 O 0.12555738860345 0.99471740865921 0.49694313192885 15.999 > 8 55 O 0.12555738860345 0.49471740865921 0.99694313192885 15.999 > 8 56 O 0.12555738860345 0.99471740865921 0.99694313192885 15.999 > 8 *57 O 0.50000000000000 0.07657561712023 0.35275527374293 15.999 > 9 58 O 0.50000000000000 0.57657561712023 0.35275527374293 15.999 > 9 59 O 0.50000000000000 0.07657561712023 0.85275527374293 15.999 > 9 60 O 0.50000000000000 0.57657561712023 0.85275527374293 15.999 > 9 61 O 0.50000000000000 0.42342438287977 0.10275527374293 15.999 > 10 62 O 0.50000000000000 0.92342438287977 0.10275527374293 15.999 > 10 63 O 0.50000000000000 0.42342438287977 0.60275527374293 15.999 > 10 64 O 0.50000000000000 0.92342438287977 0.60275527374293 15.999 > 10 65 O 0.87444261139655 0.49471740865921 0.49694313192885 15.999 > 11 66 O 0.87444261139655 0.99471740865921 0.49694313192885 15.999 > 11 67 O 0.87444261139655 0.49471740865921 0.99694313192885 15.999 > 11 68 O 0.87444261139655 0.99471740865921 0.99694313192885 15.999 > 11 69 O 0.87444261139655 0.00528259134079 0.24694313192885 15.999 > 12 70 O 0.87444261139655 0.50528259134079 0.24694313192885 15.999 > 12 71 O 0.87444261139655 0.00528259134079 0.74694313192885 15.999 > 12 72 O 0.87444261139655 0.50528259134079 0.74694313192885 15.999 > 12 73 O 0.62555738860345 0.25528259134079 0.24694313192885 15.999 > 7 74 O 0.62555738860345 0.75528259134079 0.24694313192885 15.999 > 7 75 O 0.62555738860345 0.25528259134079 0.74694313192885 15.999 > 7 76 O 0.62555738860345 0.75528259134079 0.74694313192885 15.999 > 7 77 O 0.62555738860345 0.24471740865921 0.49694313192885 15.999 > 8 78 O 0.62555738860345 0.74471740865921 0.49694313192885 15.999 > 8 79 O 0.62555738860345 0.24471740865921 0.99694313192885 15.999 > 8 80 O 0.62555738860345 0.74471740865921 0.99694313192885 15.999 > 8 81 O 0.00000000000000 0.32657561712023 0.35275527374293 15.999 > 9 82 O 0.00000000000000 0.82657561712023 0.35275527374293 15.999 > 9 83 O 0.00000000000000 0.32657561712023 0.85275527374293 15.999 > 9 84 O 0.00000000000000 0.82657561712023 0.85275527374293 15.999 > 9 85 O 0.00000000000000 0.17342438287977 0.10275527374293 15.999 > 10 86 O 0.00000000000000 0.67342438287977 0.10275527374293 15.999 > 10 87 O 0.00000000000000 0.17342438287977 0.60275527374293 15.999 > 10 88 O 0.00000000000000 0.67342438287977 0.60275527374293 15.999 > 10 89 O 0.37444261139655 0.24471740865921 0.49694313192885 15.999 > 11 90 O 0.37444261139655 0.74471740865921 0.49694313192885 15.999 > 11 91 O 0.37444261139655 0.24471740865921 0.99694313192885 15.999 > 11 92 O 0.37444261139655 0.74471740865921 0.99694313192885 15.999 > 11 93 O 0.37444261139655 0.25528259134079 0.24694313192885 15.999 > 12 94 O 0.37444261139655 0.75528259134079 0.24694313192885 15.999 > 12 95 O 0.37444261139655 0.25528259134079 0.74694313192885 15.999 > 12 96 O 0.37444261139655 0.75528259134079 0.74694313192885 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1384517 0.0000000 0.0000000 0.0000000 3.2178970 0.0000000 0.0000000 0.0000000 3.6102304 -------------------------- Born effective charges -------------------------- 1 Rb 1.3048762 0.1182346 0.0122213 0.0341872 1.3097324 0.0278352 0.0259076 -0.0000799 1.1605685 2 Rb 1.3048762 -0.1182346 0.0122213 -0.0341872 1.3097324 -0.0278352 0.0259076 0.0000799 1.1605685 3 Rb 1.3048762 0.1182346 -0.0122213 0.0341872 1.3097324 -0.0278352 -0.0259076 0.0000799 1.1605685 4 Rb 1.3048762 -0.1182346 -0.0122213 -0.0341872 1.3097324 0.0278352 -0.0259076 -0.0000799 1.1605685 5 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 0.0424710 0.0000000 -0.0670345 4.1330865 6 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 -0.0424710 0.0000000 0.0670345 4.1330865 7 O -1.7744650 -0.0480176 -0.0073209 -0.0458521 -1.5110757 0.3308169 -0.0123966 0.4461860 -2.4053238 8 O -1.7744650 0.0480176 -0.0073209 0.0458521 -1.5110757 -0.3308169 -0.0123966 -0.4461860 -2.4053238 9 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 -0.0570151 0.0000000 0.0025267 -1.6435760 10 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 0.0570151 0.0000000 -0.0025267 -1.6435760 11 O -1.7744650 -0.0480176 0.0073209 -0.0458521 -1.5110757 -0.3308169 0.0123966 -0.4461860 -2.4053238 12 O -1.7744650 0.0480176 0.0073209 0.0458521 -1.5110757 0.3308169 0.0123966 0.4461860 -2.4053238 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.453 Solver_block: 200 / 400 - Time: 1.486 Solver_block: 300 / 400 - Time: 1.480 Solver_block: 400 / 400 - Time: 1.481 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.931 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1348 Number of blocks in projector: 1348 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: 320 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 172 Use standard eigh solver. Tree of FC basis block matrices: - (1348, 1320), data: False |-- (172, 168), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (256, 252), data: True |-- (256, 252), data: True |-- (320, 312), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:13:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:13:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.362561425000000 -3.723104049999999 0.000000000000000 b 5.362561425000000 3.723104049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.788223720000000 Atomic positions (fractional): 1 Rb 0.19647675880282 0.48217262692476 0.25414926341508 85.468 2 Rb 0.48217262692476 0.19647675880282 0.75414926341508 85.468 3 Rb 0.80352324119718 0.51782737307524 0.75414926341508 85.468 4 Rb 0.51782737307524 0.80352324119718 0.25414926341508 85.468 5 Sn 0.08689656881268 0.91310343118732 0.73841640796857 118.710 6 Sn 0.91310343118732 0.08689656881268 0.23841640796857 118.710 7 O 0.11499220592188 0.13612257128502 0.49388626385770 15.999 8 O 0.13612257128502 0.11499220592188 0.99388626385770 15.999 9 O 0.34684876575954 0.65315123424046 0.70551054748585 15.999 10 O 0.65315123424046 0.34684876575954 0.20551054748585 15.999 11 O 0.88500779407812 0.86387742871498 0.99388626385770 15.999 12 O 0.86387742871498 0.88500779407812 0.49388626385770 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.725122850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.892416199999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.576447440000001 Atomic positions (fractional): 1 Rb 0.33932469286379 0.07142396703048 0.12707463170754 85.468 > 1 2 Rb 0.33932469286379 0.57142396703049 0.12707463170754 85.468 > 1 3 Rb 0.33932469286379 0.07142396703048 0.62707463170754 85.468 > 1 4 Rb 0.33932469286379 0.57142396703049 0.62707463170754 85.468 > 1 5 Rb 0.33932469286379 0.42857603296951 0.37707463170754 85.468 > 5 6 Rb 0.33932469286379 0.92857603296951 0.37707463170754 85.468 > 5 7 Rb 0.33932469286379 0.42857603296951 0.87707463170754 85.468 > 5 8 Rb 0.33932469286379 0.92857603296951 0.87707463170754 85.468 > 5 9 Rb 0.66067530713621 0.42857603296951 0.37707463170754 85.468 > 9 10 Rb 0.66067530713621 0.92857603296951 0.37707463170754 85.468 > 9 11 Rb 0.66067530713621 0.42857603296951 0.87707463170754 85.468 > 9 12 Rb 0.66067530713621 0.92857603296951 0.87707463170754 85.468 > 9 13 Rb 0.66067530713621 0.07142396703048 0.12707463170754 85.468 > 13 14 Rb 0.66067530713621 0.57142396703049 0.12707463170754 85.468 > 13 15 Rb 0.66067530713621 0.07142396703048 0.62707463170754 85.468 > 13 16 Rb 0.66067530713621 0.57142396703049 0.62707463170754 85.468 > 13 17 Rb 0.83932469286379 0.32142396703049 0.12707463170754 85.468 > 1 18 Rb 0.83932469286379 0.82142396703049 0.12707463170754 85.468 > 1 19 Rb 0.83932469286379 0.32142396703049 0.62707463170754 85.468 > 1 20 Rb 0.83932469286379 0.82142396703049 0.62707463170754 85.468 > 1 21 Rb 0.83932469286379 0.17857603296951 0.37707463170754 85.468 > 5 22 Rb 0.83932469286379 0.67857603296951 0.37707463170754 85.468 > 5 23 Rb 0.83932469286379 0.17857603296951 0.87707463170754 85.468 > 5 24 Rb 0.83932469286379 0.67857603296951 0.87707463170754 85.468 > 5 25 Rb 0.16067530713621 0.17857603296951 0.37707463170754 85.468 > 9 26 Rb 0.16067530713621 0.67857603296951 0.37707463170754 85.468 > 9 27 Rb 0.16067530713621 0.17857603296951 0.87707463170754 85.468 > 9 28 Rb 0.16067530713621 0.67857603296951 0.87707463170754 85.468 > 9 29 Rb 0.16067530713621 0.32142396703049 0.12707463170754 85.468 > 13 30 Rb 0.16067530713621 0.82142396703049 0.12707463170754 85.468 > 13 31 Rb 0.16067530713621 0.32142396703049 0.62707463170754 85.468 > 13 32 Rb 0.16067530713621 0.82142396703049 0.62707463170754 85.468 > 13 33 Sn 0.50000000000000 0.20655171559366 0.36920820398429 118.710 > 33 34 Sn 0.50000000000000 0.70655171559366 0.36920820398429 118.710 > 33 35 Sn 0.50000000000000 0.20655171559366 0.86920820398429 118.710 > 33 36 Sn 0.50000000000000 0.70655171559366 0.86920820398429 118.710 > 33 37 Sn 0.50000000000000 0.29344828440634 0.11920820398429 118.710 > 37 38 Sn 0.50000000000000 0.79344828440634 0.11920820398429 118.710 > 37 39 Sn 0.50000000000000 0.29344828440634 0.61920820398429 118.710 > 37 40 Sn 0.50000000000000 0.79344828440634 0.61920820398429 118.710 > 37 41 Sn 0.00000000000000 0.45655171559366 0.36920820398429 118.710 > 33 42 Sn 0.00000000000000 0.95655171559366 0.36920820398429 118.710 > 33 43 Sn 0.00000000000000 0.45655171559366 0.86920820398429 118.710 > 33 44 Sn 0.00000000000000 0.95655171559366 0.86920820398429 118.710 > 33 45 Sn 0.00000000000000 0.04344828440634 0.11920820398429 118.710 > 37 46 Sn 0.00000000000000 0.54344828440634 0.11920820398429 118.710 > 37 47 Sn 0.00000000000000 0.04344828440634 0.61920820398429 118.710 > 37 48 Sn 0.00000000000000 0.54344828440634 0.61920820398429 118.710 > 37 49 O 0.12555738860345 0.00528259134079 0.24694313192885 15.999 > 49 50 O 0.12555738860345 0.50528259134079 0.24694313192885 15.999 > 49 51 O 0.12555738860345 0.00528259134079 0.74694313192885 15.999 > 49 52 O 0.12555738860345 0.50528259134079 0.74694313192885 15.999 > 49 53 O 0.12555738860345 0.49471740865921 0.49694313192885 15.999 > 53 54 O 0.12555738860345 0.99471740865921 0.49694313192885 15.999 > 53 55 O 0.12555738860345 0.49471740865921 0.99694313192885 15.999 > 53 56 O 0.12555738860345 0.99471740865921 0.99694313192885 15.999 > 53 57 O 0.50000000000000 0.07657561712023 0.35275527374293 15.999 > 57 58 O 0.50000000000000 0.57657561712023 0.35275527374293 15.999 > 57 59 O 0.50000000000000 0.07657561712023 0.85275527374293 15.999 > 57 60 O 0.50000000000000 0.57657561712023 0.85275527374293 15.999 > 57 61 O 0.50000000000000 0.42342438287977 0.10275527374293 15.999 > 61 62 O 0.50000000000000 0.92342438287977 0.10275527374293 15.999 > 61 63 O 0.50000000000000 0.42342438287977 0.60275527374293 15.999 > 61 64 O 0.50000000000000 0.92342438287977 0.60275527374293 15.999 > 61 65 O 0.87444261139655 0.49471740865921 0.49694313192885 15.999 > 65 66 O 0.87444261139655 0.99471740865921 0.49694313192885 15.999 > 65 67 O 0.87444261139655 0.49471740865921 0.99694313192885 15.999 > 65 68 O 0.87444261139655 0.99471740865921 0.99694313192885 15.999 > 65 69 O 0.87444261139655 0.00528259134079 0.24694313192885 15.999 > 69 70 O 0.87444261139655 0.50528259134079 0.24694313192885 15.999 > 69 71 O 0.87444261139655 0.00528259134079 0.74694313192885 15.999 > 69 72 O 0.87444261139655 0.50528259134079 0.74694313192885 15.999 > 69 73 O 0.62555738860345 0.25528259134079 0.24694313192885 15.999 > 49 74 O 0.62555738860345 0.75528259134079 0.24694313192885 15.999 > 49 75 O 0.62555738860345 0.25528259134079 0.74694313192885 15.999 > 49 76 O 0.62555738860345 0.75528259134079 0.74694313192885 15.999 > 49 77 O 0.62555738860345 0.24471740865921 0.49694313192885 15.999 > 53 78 O 0.62555738860345 0.74471740865921 0.49694313192885 15.999 > 53 79 O 0.62555738860345 0.24471740865921 0.99694313192885 15.999 > 53 80 O 0.62555738860345 0.74471740865921 0.99694313192885 15.999 > 53 81 O 0.00000000000000 0.32657561712023 0.35275527374293 15.999 > 57 82 O 0.00000000000000 0.82657561712023 0.35275527374293 15.999 > 57 83 O 0.00000000000000 0.32657561712023 0.85275527374293 15.999 > 57 84 O 0.00000000000000 0.82657561712023 0.85275527374293 15.999 > 57 85 O 0.00000000000000 0.17342438287977 0.10275527374293 15.999 > 61 86 O 0.00000000000000 0.67342438287977 0.10275527374293 15.999 > 61 87 O 0.00000000000000 0.17342438287977 0.60275527374293 15.999 > 61 88 O 0.00000000000000 0.67342438287977 0.60275527374293 15.999 > 61 89 O 0.37444261139655 0.24471740865921 0.49694313192885 15.999 > 65 90 O 0.37444261139655 0.74471740865921 0.49694313192885 15.999 > 65 91 O 0.37444261139655 0.24471740865921 0.99694313192885 15.999 > 65 92 O 0.37444261139655 0.74471740865921 0.99694313192885 15.999 > 65 93 O 0.37444261139655 0.25528259134079 0.24694313192885 15.999 > 69 94 O 0.37444261139655 0.75528259134079 0.24694313192885 15.999 > 69 95 O 0.37444261139655 0.25528259134079 0.74694313192885 15.999 > 69 96 O 0.37444261139655 0.75528259134079 0.74694313192885 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1384517 0.0000000 0.0000000 0.0000000 3.2178970 0.0000000 0.0000000 0.0000000 3.6102304 -------------------------- Born effective charges -------------------------- 1 Rb 1.3048762 0.1182346 0.0122213 0.0341872 1.3097324 0.0278352 0.0259076 -0.0000799 1.1605685 2 Rb 1.3048762 -0.1182346 0.0122213 -0.0341872 1.3097324 -0.0278352 0.0259076 0.0000799 1.1605685 3 Rb 1.3048762 0.1182346 -0.0122213 0.0341872 1.3097324 -0.0278352 -0.0259076 0.0000799 1.1605685 4 Rb 1.3048762 -0.1182346 -0.0122213 -0.0341872 1.3097324 0.0278352 -0.0259076 -0.0000799 1.1605685 5 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 0.0424710 0.0000000 -0.0670345 4.1330865 6 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 -0.0424710 0.0000000 0.0670345 4.1330865 7 O -1.7744650 -0.0480176 -0.0073209 -0.0458521 -1.5110757 0.3308169 -0.0123966 0.4461860 -2.4053238 8 O -1.7744650 0.0480176 -0.0073209 0.0458521 -1.5110757 -0.3308169 -0.0123966 -0.4461860 -2.4053238 9 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 -0.0570151 0.0000000 0.0025267 -1.6435760 10 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 0.0570151 0.0000000 -0.0025267 -1.6435760 11 O -1.7744650 -0.0480176 0.0073209 -0.0458521 -1.5110757 -0.3308169 0.0123966 -0.4461860 -2.4053238 12 O -1.7744650 0.0480176 0.0073209 0.0458521 -1.5110757 0.3308169 0.0123966 0.4461860 -2.4053238 ---------------------------------------------------------------------------- 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[ 57, 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: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:13:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:13:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.362561425000000 -3.723104049999999 0.000000000000000 b 5.362561425000000 3.723104049999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.788223720000000 Atomic positions (fractional): 1 Rb 0.19647675880282 0.48217262692476 0.25414926341508 85.468 2 Rb 0.48217262692476 0.19647675880282 0.75414926341508 85.468 3 Rb 0.80352324119718 0.51782737307524 0.75414926341508 85.468 4 Rb 0.51782737307524 0.80352324119718 0.25414926341508 85.468 5 Sn 0.08689656881268 0.91310343118732 0.73841640796857 118.710 6 Sn 0.91310343118732 0.08689656881268 0.23841640796857 118.710 7 O 0.11499220592188 0.13612257128502 0.49388626385770 15.999 8 O 0.13612257128502 0.11499220592188 0.99388626385770 15.999 9 O 0.34684876575954 0.65315123424046 0.70551054748585 15.999 10 O 0.65315123424046 0.34684876575954 0.20551054748585 15.999 11 O 0.88500779407812 0.86387742871498 0.99388626385770 15.999 12 O 0.86387742871498 0.88500779407812 0.49388626385770 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.725122850000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.892416199999996 0.000000000000000 c 0.000000000000000 0.000000000000000 11.576447440000001 Atomic positions (fractional): 1 Rb 0.33932469286379 0.07142396703048 0.12707463170754 85.468 > 1 2 Rb 0.33932469286379 0.57142396703049 0.12707463170754 85.468 > 1 3 Rb 0.33932469286379 0.07142396703048 0.62707463170754 85.468 > 1 4 Rb 0.33932469286379 0.57142396703049 0.62707463170754 85.468 > 1 5 Rb 0.33932469286379 0.42857603296951 0.37707463170754 85.468 > 5 6 Rb 0.33932469286379 0.92857603296951 0.37707463170754 85.468 > 5 7 Rb 0.33932469286379 0.42857603296951 0.87707463170754 85.468 > 5 8 Rb 0.33932469286379 0.92857603296951 0.87707463170754 85.468 > 5 9 Rb 0.66067530713621 0.42857603296951 0.37707463170754 85.468 > 9 10 Rb 0.66067530713621 0.92857603296951 0.37707463170754 85.468 > 9 11 Rb 0.66067530713621 0.42857603296951 0.87707463170754 85.468 > 9 12 Rb 0.66067530713621 0.92857603296951 0.87707463170754 85.468 > 9 13 Rb 0.66067530713621 0.07142396703048 0.12707463170754 85.468 > 13 14 Rb 0.66067530713621 0.57142396703049 0.12707463170754 85.468 > 13 15 Rb 0.66067530713621 0.07142396703048 0.62707463170754 85.468 > 13 16 Rb 0.66067530713621 0.57142396703049 0.62707463170754 85.468 > 13 17 Rb 0.83932469286379 0.32142396703049 0.12707463170754 85.468 > 1 18 Rb 0.83932469286379 0.82142396703049 0.12707463170754 85.468 > 1 19 Rb 0.83932469286379 0.32142396703049 0.62707463170754 85.468 > 1 20 Rb 0.83932469286379 0.82142396703049 0.62707463170754 85.468 > 1 21 Rb 0.83932469286379 0.17857603296951 0.37707463170754 85.468 > 5 22 Rb 0.83932469286379 0.67857603296951 0.37707463170754 85.468 > 5 23 Rb 0.83932469286379 0.17857603296951 0.87707463170754 85.468 > 5 24 Rb 0.83932469286379 0.67857603296951 0.87707463170754 85.468 > 5 25 Rb 0.16067530713621 0.17857603296951 0.37707463170754 85.468 > 9 26 Rb 0.16067530713621 0.67857603296951 0.37707463170754 85.468 > 9 27 Rb 0.16067530713621 0.17857603296951 0.87707463170754 85.468 > 9 28 Rb 0.16067530713621 0.67857603296951 0.87707463170754 85.468 > 9 29 Rb 0.16067530713621 0.32142396703049 0.12707463170754 85.468 > 13 30 Rb 0.16067530713621 0.82142396703049 0.12707463170754 85.468 > 13 31 Rb 0.16067530713621 0.32142396703049 0.62707463170754 85.468 > 13 32 Rb 0.16067530713621 0.82142396703049 0.62707463170754 85.468 > 13 33 Sn 0.50000000000000 0.20655171559366 0.36920820398429 118.710 > 33 34 Sn 0.50000000000000 0.70655171559366 0.36920820398429 118.710 > 33 35 Sn 0.50000000000000 0.20655171559366 0.86920820398429 118.710 > 33 36 Sn 0.50000000000000 0.70655171559366 0.86920820398429 118.710 > 33 37 Sn 0.50000000000000 0.29344828440634 0.11920820398429 118.710 > 37 38 Sn 0.50000000000000 0.79344828440634 0.11920820398429 118.710 > 37 39 Sn 0.50000000000000 0.29344828440634 0.61920820398429 118.710 > 37 40 Sn 0.50000000000000 0.79344828440634 0.61920820398429 118.710 > 37 41 Sn 0.00000000000000 0.45655171559366 0.36920820398429 118.710 > 33 42 Sn 0.00000000000000 0.95655171559366 0.36920820398429 118.710 > 33 43 Sn 0.00000000000000 0.45655171559366 0.86920820398429 118.710 > 33 44 Sn 0.00000000000000 0.95655171559366 0.86920820398429 118.710 > 33 45 Sn 0.00000000000000 0.04344828440634 0.11920820398429 118.710 > 37 46 Sn 0.00000000000000 0.54344828440634 0.11920820398429 118.710 > 37 47 Sn 0.00000000000000 0.04344828440634 0.61920820398429 118.710 > 37 48 Sn 0.00000000000000 0.54344828440634 0.61920820398429 118.710 > 37 49 O 0.12555738860345 0.00528259134079 0.24694313192885 15.999 > 49 50 O 0.12555738860345 0.50528259134079 0.24694313192885 15.999 > 49 51 O 0.12555738860345 0.00528259134079 0.74694313192885 15.999 > 49 52 O 0.12555738860345 0.50528259134079 0.74694313192885 15.999 > 49 53 O 0.12555738860345 0.49471740865921 0.49694313192885 15.999 > 53 54 O 0.12555738860345 0.99471740865921 0.49694313192885 15.999 > 53 55 O 0.12555738860345 0.49471740865921 0.99694313192885 15.999 > 53 56 O 0.12555738860345 0.99471740865921 0.99694313192885 15.999 > 53 57 O 0.50000000000000 0.07657561712023 0.35275527374293 15.999 > 57 58 O 0.50000000000000 0.57657561712023 0.35275527374293 15.999 > 57 59 O 0.50000000000000 0.07657561712023 0.85275527374293 15.999 > 57 60 O 0.50000000000000 0.57657561712023 0.85275527374293 15.999 > 57 61 O 0.50000000000000 0.42342438287977 0.10275527374293 15.999 > 61 62 O 0.50000000000000 0.92342438287977 0.10275527374293 15.999 > 61 63 O 0.50000000000000 0.42342438287977 0.60275527374293 15.999 > 61 64 O 0.50000000000000 0.92342438287977 0.60275527374293 15.999 > 61 65 O 0.87444261139655 0.49471740865921 0.49694313192885 15.999 > 65 66 O 0.87444261139655 0.99471740865921 0.49694313192885 15.999 > 65 67 O 0.87444261139655 0.49471740865921 0.99694313192885 15.999 > 65 68 O 0.87444261139655 0.99471740865921 0.99694313192885 15.999 > 65 69 O 0.87444261139655 0.00528259134079 0.24694313192885 15.999 > 69 70 O 0.87444261139655 0.50528259134079 0.24694313192885 15.999 > 69 71 O 0.87444261139655 0.00528259134079 0.74694313192885 15.999 > 69 72 O 0.87444261139655 0.50528259134079 0.74694313192885 15.999 > 69 73 O 0.62555738860345 0.25528259134079 0.24694313192885 15.999 > 49 74 O 0.62555738860345 0.75528259134079 0.24694313192885 15.999 > 49 75 O 0.62555738860345 0.25528259134079 0.74694313192885 15.999 > 49 76 O 0.62555738860345 0.75528259134079 0.74694313192885 15.999 > 49 77 O 0.62555738860345 0.24471740865921 0.49694313192885 15.999 > 53 78 O 0.62555738860345 0.74471740865921 0.49694313192885 15.999 > 53 79 O 0.62555738860345 0.24471740865921 0.99694313192885 15.999 > 53 80 O 0.62555738860345 0.74471740865921 0.99694313192885 15.999 > 53 81 O 0.00000000000000 0.32657561712023 0.35275527374293 15.999 > 57 82 O 0.00000000000000 0.82657561712023 0.35275527374293 15.999 > 57 83 O 0.00000000000000 0.32657561712023 0.85275527374293 15.999 > 57 84 O 0.00000000000000 0.82657561712023 0.85275527374293 15.999 > 57 85 O 0.00000000000000 0.17342438287977 0.10275527374293 15.999 > 61 86 O 0.00000000000000 0.67342438287977 0.10275527374293 15.999 > 61 87 O 0.00000000000000 0.17342438287977 0.60275527374293 15.999 > 61 88 O 0.00000000000000 0.67342438287977 0.60275527374293 15.999 > 61 89 O 0.37444261139655 0.24471740865921 0.49694313192885 15.999 > 65 90 O 0.37444261139655 0.74471740865921 0.49694313192885 15.999 > 65 91 O 0.37444261139655 0.24471740865921 0.99694313192885 15.999 > 65 92 O 0.37444261139655 0.74471740865921 0.99694313192885 15.999 > 65 93 O 0.37444261139655 0.25528259134079 0.24694313192885 15.999 > 69 94 O 0.37444261139655 0.75528259134079 0.24694313192885 15.999 > 69 95 O 0.37444261139655 0.25528259134079 0.74694313192885 15.999 > 69 96 O 0.37444261139655 0.75528259134079 0.74694313192885 15.999 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1384517 0.0000000 0.0000000 0.0000000 3.2178970 0.0000000 0.0000000 0.0000000 3.6102304 -------------------------- Born effective charges -------------------------- 1 Rb 1.3048762 0.1182346 0.0122213 0.0341872 1.3097324 0.0278352 0.0259076 -0.0000799 1.1605685 2 Rb 1.3048762 -0.1182346 0.0122213 -0.0341872 1.3097324 -0.0278352 0.0259076 0.0000799 1.1605685 3 Rb 1.3048762 0.1182346 -0.0122213 0.0341872 1.3097324 -0.0278352 -0.0259076 0.0000799 1.1605685 4 Rb 1.3048762 -0.1182346 -0.0122213 -0.0341872 1.3097324 0.0278352 -0.0259076 -0.0000799 1.1605685 5 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 0.0424710 0.0000000 -0.0670345 4.1330865 6 Sn 2.3811205 0.0000000 0.0000000 0.0000000 2.7521148 -0.0424710 0.0000000 0.0670345 4.1330865 7 O -1.7744650 -0.0480176 -0.0073209 -0.0458521 -1.5110757 0.3308169 -0.0123966 0.4461860 -2.4053238 8 O -1.7744650 0.0480176 -0.0073209 0.0458521 -1.5110757 -0.3308169 -0.0123966 -0.4461860 -2.4053238 9 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 -0.0570151 0.0000000 0.0025267 -1.6435760 10 O -1.4419429 0.0000000 0.0000000 0.0000000 -2.3494282 0.0570151 0.0000000 -0.0025267 -1.6435760 11 O -1.7744650 -0.0480176 0.0073209 -0.0458521 -1.5110757 -0.3308169 0.0123966 -0.4461860 -2.4053238 12 O -1.7744650 0.0480176 0.0073209 0.0458521 -1.5110757 0.3308169 0.0123966 0.4461860 -2.4053238 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yzy) -0.00000001 (yzy) -0.00000001 (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 ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 -0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 -0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 -0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 -0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 -0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 -0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 -0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 -0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 15.790 ( 0.000 0.000 0.000) 0.000 15.889 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 19.094 ( 0.000 0.000 0.000) 0.000 19.695 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 6.474 -16.514 0.000) 17.738 0.427 ( 10.469 -18.799 0.000) 21.517 0.779 ( 19.292 -32.154 0.000) 37.497 1.587 ( -0.169 -12.193 0.000) 12.194 1.724 ( 0.922 5.204 0.000) 5.285 1.999 ( -2.212 -0.413 0.000) 2.250 2.233 ( 0.188 -2.024 0.000) 2.033 2.425 ( 0.280 8.840 0.000) 8.844 2.526 ( 0.535 0.196 0.000) 0.570 2.723 ( -3.184 -3.167 0.000) 4.491 2.741 ( -1.815 1.707 0.000) 2.491 2.845 ( -4.965 0.977 0.000) 5.060 2.943 ( -0.985 2.842 0.000) 3.008 3.011 ( 0.175 -7.955 0.000) 7.957 3.125 ( 3.292 -2.455 0.000) 4.107 3.354 ( -7.101 3.282 0.000) 7.823 3.667 ( 7.180 -2.175 0.000) 7.502 4.231 ( -0.592 9.717 0.000) 9.735 4.940 ( 2.013 0.834 0.000) 2.179 5.038 ( -1.428 8.408 0.000) 8.528 5.204 ( 0.443 0.053 0.000) 0.446 6.280 ( 12.394 22.657 0.000) 25.825 7.007 ( 0.249 -2.807 0.000) 2.818 7.466 ( 6.665 -9.074 0.000) 11.259 8.245 ( -0.321 0.802 0.000) 0.864 9.706 ( -37.328 -23.422 0.000) 44.068 11.188 ( 0.027 -0.005 0.000) 0.027 11.587 ( 0.347 -0.175 0.000) 0.389 13.146 ( -0.027 -0.001 0.000) 0.027 14.766 ( 58.313 36.979 0.000) 69.050 15.793 ( 0.438 -0.124 0.000) 0.455 15.893 ( -0.083 0.117 0.000) 0.144 16.392 ( 0.363 -0.227 0.000) 0.428 17.369 ( -8.176 -3.809 0.000) 9.020 19.696 ( 1.056 0.644 0.000) 1.237 19.931 ( -41.144 -26.472 0.000) 48.924 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 3.319 -15.430 0.000) 15.783 0.857 ( 12.807 -15.903 0.000) 20.419 1.498 ( 15.601 -25.156 0.000) 29.601 1.640 ( 2.955 4.088 0.000) 5.044 1.796 ( -1.157 -10.155 0.000) 10.220 1.955 ( -2.374 0.991 0.000) 2.573 2.267 ( -1.504 -2.561 0.000) 2.970 2.322 ( 0.571 3.634 0.000) 3.679 2.512 ( -1.514 2.933 0.000) 3.301 2.610 ( -6.597 4.644 0.000) 8.068 2.666 ( -0.861 5.640 0.000) 5.706 2.842 ( 0.467 -3.215 0.000) 3.249 2.925 ( 0.000 -1.145 0.000) 1.145 3.176 ( 0.851 -5.777 0.000) 5.839 3.196 ( -1.991 -2.511 0.000) 3.205 3.245 ( -3.010 -5.221 0.000) 6.027 3.772 ( 6.101 -0.947 0.000) 6.174 3.985 ( -8.871 12.577 0.000) 15.391 4.796 ( -0.938 16.607 0.000) 16.633 4.956 ( 2.319 2.252 0.000) 3.233 5.221 ( 1.686 -0.639 0.000) 1.803 6.045 ( 2.229 13.945 0.000) 14.122 7.068 ( 0.262 -3.669 0.000) 3.678 7.705 ( 6.393 -8.936 0.000) 10.987 8.222 ( -0.388 1.264 0.000) 1.322 9.651 ( -18.089 -8.752 0.000) 20.095 11.188 ( 0.036 -0.007 0.000) 0.037 11.596 ( 0.487 -0.253 0.000) 0.549 13.146 ( -0.038 0.005 0.000) 0.038 14.841 ( 25.189 12.481 0.000) 28.111 15.803 ( 0.681 -0.236 0.000) 0.721 15.890 ( -0.159 0.125 0.000) 0.202 16.403 ( 0.564 -0.289 0.000) 0.634 17.328 ( -4.815 -0.560 0.000) 4.848 19.700 ( 2.449 1.261 0.000) 2.754 19.884 ( -20.591 -10.972 0.000) 23.332 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 1.476 -13.847 0.000) 13.925 1.247 ( 12.343 -12.183 0.000) 17.343 1.526 ( 2.773 7.518 0.000) 8.014 1.814 ( -3.178 1.510 0.000) 3.519 1.872 ( -1.552 -2.552 0.000) 2.987 2.101 ( 0.940 0.176 0.000) 0.957 2.229 ( -0.281 -7.522 0.000) 7.527 2.372 ( 0.562 -0.961 0.000) 1.113 2.414 ( -1.117 -6.490 0.000) 6.586 2.538 ( 1.650 2.664 0.000) 3.134 2.582 ( 3.127 3.050 0.000) 4.368 2.912 ( 0.392 -2.976 0.000) 3.002 2.971 ( 1.621 -3.702 0.000) 4.041 3.093 ( -4.277 4.540 0.000) 6.238 3.214 ( 0.153 -0.547 0.000) 0.568 3.512 ( -2.121 -13.735 0.000) 13.898 3.637 ( -8.267 8.796 0.000) 12.071 3.841 ( 1.720 -1.561 0.000) 2.323 4.461 ( -0.416 21.332 0.000) 21.336 4.939 ( 0.894 1.720 0.000) 1.938 5.256 ( 1.899 -0.623 0.000) 1.998 5.888 ( 0.368 6.338 0.000) 6.348 7.124 ( 0.173 -2.468 0.000) 2.474 7.887 ( 3.767 -5.151 0.000) 6.381 8.198 ( -0.275 0.978 0.000) 1.016 9.591 ( -8.763 -3.141 0.000) 9.309 11.189 ( 0.028 -0.003 0.000) 0.028 11.605 ( 0.342 -0.183 0.000) 0.388 13.145 ( -0.027 0.009 0.000) 0.028 14.917 ( 10.849 3.953 0.000) 11.547 15.815 ( 0.532 -0.215 0.000) 0.574 15.886 ( -0.112 0.082 0.000) 0.138 16.413 ( 0.440 -0.181 0.000) 0.476 17.285 ( -2.650 0.242 0.000) 2.661 19.712 ( 3.724 1.615 0.000) 4.059 19.828 ( -11.893 -5.209 0.000) 12.984 ======================= Grid point 4 (5/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 -0.000 0.000) 0.000 1.376 ( 0.000 -0.000 0.000) 0.000 1.633 ( 0.000 -0.000 0.000) 0.000 1.640 ( -0.000 0.000 0.000) 0.000 1.887 ( -0.000 -0.000 0.000) 0.000 1.999 ( 0.000 -0.000 0.000) 0.000 2.312 ( 0.000 -0.000 0.000) 0.000 2.337 ( 0.000 -0.000 0.000) 0.000 2.504 ( 0.000 -0.000 0.000) 0.000 2.521 ( 0.000 -0.000 0.000) 0.000 2.763 ( 0.000 -0.000 0.000) 0.000 2.949 ( -0.000 0.000 0.000) 0.000 2.962 ( 0.000 -0.000 0.000) 0.000 3.056 ( 0.000 -0.000 0.000) 0.000 3.215 ( 0.000 -0.000 0.000) 0.000 3.309 ( -0.000 0.000 0.000) 0.000 3.826 ( 0.000 -0.000 0.000) 0.000 3.864 ( 0.000 -0.000 0.000) 0.000 4.183 ( 0.000 -0.000 0.000) 0.000 4.928 ( 0.000 -0.000 0.000) 0.000 5.274 ( 0.000 -0.000 0.000) 0.000 5.838 ( 0.000 -0.000 0.000) 0.000 7.147 ( 0.000 -0.000 0.000) 0.000 7.954 ( 0.000 -0.000 0.000) 0.000 8.188 ( 0.000 -0.000 0.000) 0.000 9.564 ( 0.000 -0.000 0.000) 0.000 11.189 ( 0.000 -0.000 0.000) 0.000 11.609 ( 0.000 -0.000 0.000) 0.000 13.145 ( 0.000 -0.000 0.000) 0.000 14.949 ( 0.000 -0.000 0.000) 0.000 15.820 ( 0.000 -0.000 0.000) 0.000 15.885 ( 0.000 -0.000 0.000) 0.000 16.417 ( 0.000 -0.000 0.000) 0.000 17.266 ( 0.000 -0.000 0.000) 0.000 19.724 ( -0.000 -0.000 0.000) 0.000 19.797 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/105) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 9.750 -0.000 0.000) 9.750 0.398 ( 17.648 -0.000 0.000) 17.648 0.894 ( 34.906 -0.000 0.000) 34.906 1.489 ( 2.993 -0.000 0.000) 2.993 1.772 ( -0.338 0.000 0.000) 0.338 1.886 ( -9.376 0.000 0.000) 9.376 2.233 ( 1.810 -0.000 0.000) 1.810 2.474 ( -2.855 0.000 0.000) 2.855 2.599 ( 1.890 -0.000 0.000) 1.890 2.617 ( -1.471 0.000 0.000) 1.471 2.776 ( -0.427 0.000 0.000) 0.427 2.888 ( -5.350 0.000 0.000) 5.350 2.909 ( 5.987 -0.000 0.000) 5.987 2.983 ( -3.033 0.000 0.000) 3.033 3.074 ( 1.190 -0.000 0.000) 1.190 3.323 ( -9.615 0.000 0.000) 9.615 3.527 ( -3.940 0.000 0.000) 3.940 4.404 ( -0.939 0.000 0.000) 0.939 4.987 ( 4.544 -0.000 0.000) 4.544 5.096 ( 0.172 -0.000 0.000) 0.172 5.221 ( 1.495 -0.000 0.000) 1.495 6.828 ( -2.671 0.000 0.000) 2.671 6.989 ( 0.763 -0.000 0.000) 0.763 7.247 ( -6.313 0.000 0.000) 6.313 8.244 ( -0.542 0.000 0.000) 0.542 9.092 ( 4.293 -0.000 0.000) 4.293 11.188 ( 0.032 -0.000 0.000) 0.032 11.590 ( 0.527 -0.000 0.000) 0.527 13.146 ( -0.052 0.000 0.000) 0.052 15.797 ( 0.579 -0.000 0.000) 0.579 15.885 ( -0.271 0.000 0.000) 0.271 16.028 ( -9.933 0.000 0.000) 9.933 16.498 ( 5.765 -0.000 0.000) 5.765 16.957 ( -0.989 0.000 0.000) 0.989 19.098 ( 0.299 -0.000 0.000) 0.299 19.717 ( 1.796 -0.000 0.000) 1.796 ======================= Grid point 11 (7/105) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 5.433 -14.322 0.000) 15.317 0.745 ( 14.782 -14.212 0.000) 20.506 1.385 ( 18.291 -17.444 0.000) 25.275 1.638 ( 9.538 -4.700 0.000) 10.633 1.748 ( 3.098 1.014 0.000) 3.259 1.819 ( -10.319 -5.522 0.000) 11.704 2.242 ( 0.527 1.153 0.000) 1.268 2.412 ( -1.466 4.139 0.000) 4.391 2.554 ( 0.864 3.174 0.000) 3.289 2.585 ( -8.888 5.892 0.000) 10.663 2.746 ( 0.460 -0.688 0.000) 0.827 2.767 ( -4.391 0.243 0.000) 4.397 2.957 ( 3.012 -0.179 0.000) 3.018 3.021 ( 1.238 -5.670 0.000) 5.804 3.154 ( -0.086 -3.168 0.000) 3.169 3.213 ( -4.831 0.471 0.000) 4.854 3.561 ( -9.383 -8.816 0.000) 12.875 4.255 ( -0.505 13.504 0.000) 13.513 5.000 ( 1.460 7.873 0.000) 8.007 5.051 ( 3.495 3.457 0.000) 4.916 5.238 ( 2.109 0.167 0.000) 2.116 6.407 ( 0.290 26.150 0.000) 26.152 7.021 ( 0.821 -2.425 0.000) 2.560 7.484 ( -5.592 -20.263 0.000) 21.021 8.232 ( -0.717 0.589 0.000) 0.928 9.281 ( -3.376 -12.936 0.000) 13.369 11.189 ( 0.036 -0.008 0.000) 0.037 11.599 ( 0.589 -0.163 0.000) 0.611 13.145 ( -0.062 -0.010 0.000) 0.062 15.527 ( 10.017 31.974 0.000) 33.506 15.813 ( 1.044 0.190 0.000) 1.061 15.888 ( -0.430 0.064 0.000) 0.435 16.445 ( 4.401 4.069 0.000) 5.994 17.157 ( -7.758 -11.508 0.000) 13.879 19.343 ( -11.315 -21.925 0.000) 24.672 19.742 ( 2.681 0.003 0.000) 2.681 ======================= Grid point 12 (8/105) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 3.183 -13.707 0.000) 14.072 1.161 ( 12.904 -15.062 0.000) 19.833 1.649 ( -0.976 2.458 0.000) 2.645 1.727 ( -2.967 -9.078 0.000) 9.551 1.759 ( -5.055 -3.616 0.000) 6.216 2.084 ( 13.760 -7.160 0.000) 15.512 2.183 ( -6.347 4.975 0.000) 8.065 2.292 ( 0.845 -2.595 0.000) 2.729 2.394 ( -2.387 1.783 0.000) 2.979 2.576 ( 0.613 -0.321 0.000) 0.692 2.674 ( -0.417 4.308 0.000) 4.328 2.842 ( 0.262 -5.749 0.000) 5.755 2.986 ( 4.800 0.957 0.000) 4.895 3.113 ( -2.450 1.651 0.000) 2.954 3.195 ( 0.820 -7.044 0.000) 7.092 3.238 ( 0.158 -8.165 0.000) 8.167 3.531 ( -14.548 -2.496 0.000) 14.760 4.017 ( 1.163 12.903 0.000) 12.955 4.785 ( -0.053 16.893 0.000) 16.893 5.030 ( 3.898 5.046 0.000) 6.377 5.268 ( 1.834 -0.435 0.000) 1.885 6.064 ( -0.316 14.925 0.000) 14.929 7.079 ( 0.652 -3.199 0.000) 3.265 7.713 ( -5.714 -14.620 0.000) 15.697 8.210 ( -0.590 0.939 0.000) 1.109 9.418 ( -1.977 -8.071 0.000) 8.310 11.189 ( 0.020 -0.001 0.000) 0.020 11.607 ( 0.418 -0.094 0.000) 0.429 13.145 ( -0.051 -0.018 0.000) 0.054 15.237 ( 8.282 17.630 0.000) 19.479 15.822 ( 0.835 0.094 0.000) 0.840 15.884 ( -0.346 -0.057 0.000) 0.351 16.440 ( 2.600 1.872 0.000) 3.204 17.203 ( -5.166 -4.682 0.000) 6.972 19.498 ( -11.090 -13.260 0.000) 17.287 19.786 ( 4.072 -0.656 0.000) 4.125 ======================= Grid point 13 (9/105) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 2.421 -12.287 0.000) 12.523 1.452 ( 2.127 1.479 0.000) 2.591 1.612 ( 2.990 -2.170 0.000) 3.695 1.672 ( -6.049 4.068 0.000) 7.289 1.816 ( -2.380 -4.878 0.000) 5.428 1.893 ( -9.438 -0.370 0.000) 9.445 2.287 ( 0.035 -4.716 0.000) 4.716 2.350 ( -0.373 0.751 0.000) 0.838 2.491 ( 1.380 -1.949 0.000) 2.388 2.554 ( -0.474 2.205 0.000) 2.255 2.744 ( 9.557 -5.917 0.000) 11.240 2.935 ( 2.232 -3.618 0.000) 4.251 3.031 ( -0.632 7.195 0.000) 7.222 3.052 ( 3.219 -2.223 0.000) 3.912 3.230 ( 1.123 -0.036 0.000) 1.123 3.293 ( -8.954 3.611 0.000) 9.654 3.558 ( -0.103 -20.490 0.000) 20.490 3.894 ( -0.055 3.416 0.000) 3.417 4.455 ( -0.109 21.415 0.000) 21.415 4.987 ( 3.084 4.494 0.000) 5.450 5.276 ( -0.417 0.620 0.000) 0.747 5.886 ( -0.434 6.216 0.000) 6.231 7.132 ( 0.410 -2.025 0.000) 2.066 7.834 ( -7.139 -8.614 0.000) 11.188 8.191 ( -0.288 0.565 0.000) 0.634 9.533 ( 2.919 -5.546 0.000) 6.267 11.189 ( -0.011 0.011 0.000) 0.015 11.610 ( 0.090 0.107 0.000) 0.139 13.145 ( -0.026 -0.027 0.000) 0.038 15.066 ( 2.112 11.211 0.000) 11.408 15.826 ( 0.355 0.378 0.000) 0.518 15.882 ( -0.221 -0.150 0.000) 0.267 16.436 ( 1.401 1.417 0.000) 1.993 17.224 ( -2.324 -3.365 0.000) 4.090 19.561 ( -7.839 -8.014 0.000) 11.210 19.862 ( 5.957 -1.467 0.000) 6.135 ======================= Grid point 14 (10/105) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -1.185 7.578 0.000) 7.670 1.271 ( -7.046 2.243 0.000) 7.394 1.416 ( -6.084 5.172 0.000) 7.985 1.793 ( 2.353 -4.958 0.000) 5.488 1.885 ( 0.043 -1.761 0.000) 1.762 1.969 ( 0.693 -11.559 0.000) 11.580 2.337 ( 0.751 -0.775 0.000) 1.079 2.362 ( 1.464 -2.065 0.000) 2.531 2.486 ( -1.307 0.754 0.000) 1.509 2.538 ( -3.813 0.408 0.000) 3.835 2.602 ( -3.998 17.938 0.000) 18.378 2.937 ( 0.196 0.811 0.000) 0.834 3.009 ( -0.732 1.109 0.000) 1.329 3.103 ( 6.672 -1.311 0.000) 6.799 3.230 ( 0.964 0.401 0.000) 1.044 3.403 ( 2.251 -11.930 0.000) 12.140 3.825 ( -0.042 1.275 0.000) 1.276 3.880 ( 2.183 -1.045 0.000) 2.420 4.185 ( 0.123 -1.148 0.000) 1.155 4.957 ( 2.127 2.742 0.000) 3.470 5.244 ( -2.151 0.910 0.000) 2.336 5.831 ( -0.502 -0.034 0.000) 0.503 7.150 ( 0.231 0.384 0.000) 0.449 7.836 ( -7.701 -2.042 0.000) 7.967 8.188 ( 0.017 -0.386 0.000) 0.386 9.678 ( 7.431 -4.452 0.000) 8.662 11.189 ( -0.031 0.011 0.000) 0.033 11.606 ( -0.217 0.307 0.000) 0.376 13.145 ( -0.000 -0.038 0.000) 0.038 14.882 ( -4.573 9.445 0.000) 10.493 15.818 ( -0.137 0.631 0.000) 0.646 15.884 ( -0.068 -0.232 0.000) 0.242 16.425 ( 0.539 1.155 0.000) 1.274 17.268 ( 0.082 -3.377 0.000) 3.378 19.599 ( -4.526 -5.271 0.000) 6.948 19.972 ( 7.935 -1.961 0.000) 8.174 ======================= Grid point 15 (11/105) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -8.335 13.852 0.000) 16.167 1.045 ( -1.881 16.350 0.000) 16.458 1.478 ( -1.148 -8.782 0.000) 8.857 1.848 ( 0.746 10.506 0.000) 10.532 1.883 ( -1.143 0.362 0.000) 1.200 1.971 ( -2.414 13.741 0.000) 13.952 2.228 ( -3.948 -3.853 0.000) 5.516 2.351 ( 0.172 3.097 0.000) 3.102 2.453 ( 1.974 -5.403 0.000) 5.752 2.519 ( -1.533 -5.683 0.000) 5.886 2.648 ( 6.002 -4.737 0.000) 7.646 2.912 ( 0.798 3.719 0.000) 3.803 2.948 ( -1.371 2.428 0.000) 2.788 3.211 ( 1.266 1.048 0.000) 1.644 3.230 ( 4.967 -1.863 0.000) 5.304 3.500 ( -3.934 5.390 0.000) 6.673 3.563 ( -5.293 8.599 0.000) 10.097 4.006 ( 7.238 -6.149 0.000) 9.497 4.475 ( 0.579 -21.686 0.000) 21.694 4.939 ( 0.484 1.266 0.000) 1.356 5.211 ( -1.300 0.306 0.000) 1.335 5.871 ( -0.803 -5.536 0.000) 5.594 7.125 ( 0.129 2.787 0.000) 2.790 7.733 ( -5.933 4.396 0.000) 7.384 8.203 ( 0.122 -1.220 0.000) 1.226 9.847 ( 8.943 -3.926 0.000) 9.767 11.188 ( -0.024 0.006 0.000) 0.025 11.597 ( -0.296 0.382 0.000) 0.483 13.146 ( 0.011 -0.036 0.000) 0.037 14.641 ( -9.181 9.418 0.000) 13.152 15.805 ( -0.260 0.595 0.000) 0.649 15.888 ( 0.025 -0.240 0.000) 0.242 16.412 ( 0.126 0.887 0.000) 0.896 17.332 ( 1.155 -3.209 0.000) 3.411 19.635 ( -1.832 -3.415 0.000) 3.875 20.107 ( 8.387 -2.502 0.000) 8.752 ======================= Grid point 16 (12/105) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -0.000 15.889 0.000) 15.889 0.737 ( -0.000 18.927 0.000) 18.927 1.308 ( -0.000 36.732 0.000) 36.732 1.607 ( 0.000 -7.317 0.000) 7.317 1.814 ( -0.000 11.719 0.000) 11.719 1.956 ( 0.000 -4.706 0.000) 4.706 2.283 ( -0.000 0.748 0.000) 0.748 2.304 ( 0.000 -2.408 0.000) 2.408 2.511 ( 0.000 -1.542 0.000) 1.542 2.670 ( 0.000 -9.516 0.000) 9.516 2.758 ( 0.000 -0.518 0.000) 0.518 2.879 ( 0.000 -1.623 0.000) 1.623 2.914 ( -0.000 0.699 0.000) 0.699 3.149 ( -0.000 4.601 0.000) 4.601 3.195 ( -0.000 13.098 0.000) 13.098 3.385 ( 0.000 -2.644 0.000) 2.644 3.511 ( 0.000 -2.788 0.000) 2.788 4.166 ( 0.000 -6.004 0.000) 6.004 4.817 ( 0.000 -17.638 0.000) 17.638 4.927 ( -0.000 0.274 0.000) 0.274 5.204 ( 0.000 -0.023 0.000) 0.023 5.995 ( 0.000 -9.868 0.000) 9.868 7.067 ( -0.000 3.917 0.000) 3.917 7.575 ( -0.000 9.202 0.000) 9.202 8.227 ( 0.000 -1.381 0.000) 1.381 9.986 ( 0.000 -3.902 0.000) 3.902 11.188 ( -0.000 0.009 0.000) 0.009 11.589 ( -0.000 0.297 0.000) 0.297 13.147 ( 0.000 -0.016 0.000) 0.016 14.398 ( -0.000 9.348 0.000) 9.348 15.795 ( -0.000 0.357 0.000) 0.357 15.891 ( 0.000 -0.179 0.000) 0.179 16.399 ( -0.000 0.638 0.000) 0.638 17.391 ( 0.000 -2.486 0.000) 2.486 19.669 ( 0.000 -1.848 0.000) 1.848 20.224 ( 0.000 -3.235 0.000) 3.235 ======================= Grid point 19 (13/105) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 8.602 -0.000 0.000) 8.602 0.824 ( 18.549 -0.000 0.000) 18.549 1.312 ( 1.859 -0.000 0.000) 1.859 1.608 ( -13.375 0.000 0.000) 13.375 1.744 ( 0.246 -0.000 0.000) 0.246 1.914 ( 29.429 -0.000 0.000) 29.429 2.284 ( 2.324 -0.000 0.000) 2.324 2.407 ( -2.497 0.000 0.000) 2.497 2.566 ( -3.925 0.000 0.000) 3.925 2.578 ( -18.693 0.000 0.000) 18.693 2.646 ( 1.830 -0.000 0.000) 1.830 2.747 ( -1.636 0.000 0.000) 1.636 2.946 ( -0.920 0.000 0.000) 0.920 3.063 ( 6.423 -0.000 0.000) 6.423 3.107 ( 1.647 -0.000 0.000) 1.647 3.146 ( -4.750 0.000 0.000) 4.750 3.424 ( -4.199 0.000 0.000) 4.199 4.314 ( -7.308 0.000 0.000) 7.308 5.092 ( 1.039 -0.000 0.000) 1.039 5.126 ( 5.278 -0.000 0.000) 5.278 5.265 ( 2.075 -0.000 0.000) 2.075 6.745 ( -4.204 0.000 0.000) 4.204 7.011 ( 1.020 -0.000 0.000) 1.020 7.070 ( -8.047 0.000 0.000) 8.047 8.228 ( -0.765 0.000 0.000) 0.765 9.209 ( 5.183 -0.000 0.000) 5.183 11.189 ( 0.034 -0.000 0.000) 0.034 11.605 ( 0.636 -0.000 0.000) 0.636 13.144 ( -0.068 0.000 0.000) 0.068 15.796 ( -9.344 0.000 0.000) 9.344 15.813 ( 0.705 -0.000 0.000) 0.705 15.878 ( -0.334 0.000 0.000) 0.334 16.607 ( 3.465 -0.000 0.000) 3.465 16.929 ( -1.289 0.000 0.000) 1.289 19.107 ( 0.506 -0.000 0.000) 0.506 19.771 ( 2.576 -0.000 0.000) 2.576 ======================= Grid point 20 (14/105) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 5.617 -9.339 0.000) 10.898 1.103 ( 14.557 -8.875 0.000) 17.049 1.471 ( -3.483 -13.402 0.000) 13.848 1.501 ( -8.633 -6.838 0.000) 11.013 1.739 ( -0.394 -0.101 0.000) 0.406 2.178 ( -7.825 8.174 0.000) 11.316 2.242 ( 5.353 4.073 0.000) 6.726 2.321 ( 3.001 0.482 0.000) 3.040 2.408 ( 3.599 1.554 0.000) 3.920 2.551 ( 0.866 -3.535 0.000) 3.639 2.696 ( -0.841 -1.284 0.000) 1.535 2.760 ( 0.976 -3.554 0.000) 3.686 2.972 ( -1.502 -4.814 0.000) 5.043 3.102 ( 0.753 -1.001 0.000) 1.253 3.130 ( 2.728 -0.086 0.000) 2.729 3.178 ( 0.478 -3.857 0.000) 3.887 3.379 ( -5.377 0.129 0.000) 5.379 4.148 ( -8.706 6.880 0.000) 11.097 5.013 ( 0.244 9.644 0.000) 9.647 5.162 ( 4.978 3.622 0.000) 6.156 5.287 ( 1.816 0.143 0.000) 1.822 6.375 ( -2.138 22.635 0.000) 22.736 7.041 ( 0.850 -2.180 0.000) 2.340 7.299 ( -8.439 -22.524 0.000) 24.053 8.215 ( -0.675 0.491 0.000) 0.835 9.313 ( 3.502 -5.284 0.000) 6.340 11.189 ( 0.019 0.002 0.000) 0.019 11.612 ( 0.470 -0.003 0.000) 0.470 13.144 ( -0.057 -0.021 0.000) 0.061 15.559 ( -2.995 13.960 0.000) 14.278 15.830 ( 0.482 -0.393 0.000) 0.621 15.876 ( -0.417 -0.202 0.000) 0.463 16.552 ( 3.829 6.430 0.000) 7.483 17.025 ( -3.790 -8.759 0.000) 9.544 19.206 ( -2.580 -9.871 0.000) 10.203 19.809 ( 2.792 -1.039 0.000) 2.979 ======================= Grid point 21 (15/105) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 3.034 -11.637 0.000) 12.026 1.383 ( -1.287 -8.563 0.000) 8.659 1.503 ( -1.389 -9.320 0.000) 9.423 1.715 ( 2.552 -0.596 0.000) 2.621 1.731 ( 0.523 -4.500 0.000) 4.530 1.838 ( -11.677 8.138 0.000) 14.233 2.218 ( -0.363 -0.714 0.000) 0.801 2.345 ( -1.761 -0.185 0.000) 1.771 2.408 ( -4.791 -2.679 0.000) 5.489 2.626 ( 0.289 4.574 0.000) 4.583 2.795 ( 12.618 -4.118 0.000) 13.273 2.891 ( 5.152 -6.006 0.000) 7.913 3.029 ( 0.685 -4.086 0.000) 4.143 3.156 ( 4.234 2.642 0.000) 4.991 3.213 ( 0.070 -6.768 0.000) 6.768 3.224 ( -1.927 -1.032 0.000) 2.186 3.289 ( -4.279 -3.374 0.000) 5.449 3.940 ( -6.904 5.321 0.000) 8.716 4.787 ( 0.097 17.202 0.000) 17.202 5.128 ( 4.226 6.197 0.000) 7.501 5.287 ( -0.355 1.308 0.000) 1.355 6.047 ( -0.771 14.100 0.000) 14.122 7.094 ( 0.566 -2.877 0.000) 2.932 7.531 ( -7.626 -16.167 0.000) 17.875 8.198 ( -0.407 0.665 0.000) 0.780 9.458 ( 3.171 -7.226 0.000) 7.891 11.189 ( -0.005 0.020 0.000) 0.021 11.614 ( 0.185 0.169 0.000) 0.251 13.144 ( -0.034 -0.039 0.000) 0.052 15.307 ( -0.184 14.063 0.000) 14.064 15.837 ( 0.370 0.245 0.000) 0.444 15.876 ( -0.274 -0.213 0.000) 0.347 16.503 ( 2.251 3.992 0.000) 4.583 17.109 ( -2.774 -6.307 0.000) 6.890 19.334 ( -3.850 -9.684 0.000) 10.421 19.876 ( 3.178 -2.762 0.000) 4.210 ======================= Grid point 22 (16/105) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.695 -12.285 0.000) 12.401 1.301 ( -8.214 9.032 0.000) 12.209 1.527 ( -1.614 8.288 0.000) 8.443 1.646 ( -3.876 -7.036 0.000) 8.033 1.802 ( -0.039 -5.076 0.000) 5.076 1.941 ( 11.955 -5.615 0.000) 13.208 2.202 ( -8.031 -3.659 0.000) 8.825 2.363 ( 0.903 -1.583 0.000) 1.823 2.434 ( -3.627 -6.680 0.000) 7.601 2.544 ( -0.067 4.759 0.000) 4.759 2.855 ( 0.908 10.583 0.000) 10.622 2.953 ( -0.737 0.820 0.000) 1.103 3.031 ( -0.132 4.494 0.000) 4.496 3.162 ( 5.914 -1.570 0.000) 6.119 3.223 ( -0.173 -2.159 0.000) 2.166 3.292 ( 2.833 -4.505 0.000) 5.321 3.557 ( -0.051 -21.583 0.000) 21.583 3.850 ( -2.291 -1.687 0.000) 2.845 4.454 ( -0.012 21.594 0.000) 21.594 5.066 ( 2.917 6.100 0.000) 6.762 5.242 ( -1.902 1.778 0.000) 2.603 5.876 ( -0.284 6.081 0.000) 6.088 7.141 ( 0.275 -1.792 0.000) 1.813 7.667 ( -4.899 -8.891 0.000) 10.151 8.186 ( -0.116 0.261 0.000) 0.285 9.626 ( 3.038 -8.228 0.000) 8.770 11.189 ( -0.015 0.028 0.000) 0.032 11.610 ( -0.033 0.382 0.000) 0.383 13.144 ( -0.011 -0.051 0.000) 0.052 15.067 ( -0.777 14.307 0.000) 14.328 15.830 ( 0.072 0.770 0.000) 0.774 15.878 ( -0.108 -0.302 0.000) 0.320 16.465 ( 0.758 2.642 0.000) 2.748 17.186 ( -0.845 -5.482 0.000) 5.546 19.444 ( -2.372 -7.908 0.000) 8.256 19.973 ( 2.839 -4.454 0.000) 5.282 ======================= Grid point 23 (17/105) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 13.168 0.000) 13.168 1.300 ( 0.000 -11.376 0.000) 11.376 1.306 ( -0.000 14.869 0.000) 14.869 1.778 ( 0.000 -7.799 0.000) 7.799 1.884 ( 0.000 -3.816 0.000) 3.816 2.071 ( 0.000 -4.417 0.000) 4.417 2.263 ( 0.000 -1.993 0.000) 1.993 2.378 ( -0.000 0.146 0.000) 0.146 2.437 ( -0.000 7.966 0.000) 7.966 2.478 ( -0.000 2.498 0.000) 2.498 2.628 ( -0.000 3.081 0.000) 3.081 2.943 ( -0.000 0.744 0.000) 0.744 2.998 ( -0.000 2.703 0.000) 2.703 3.224 ( 0.000 -2.102 0.000) 2.102 3.238 ( -0.000 0.034 0.000) 0.034 3.381 ( 0.000 -4.595 0.000) 4.595 3.825 ( -0.000 1.773 0.000) 1.773 3.928 ( 0.000 -6.516 0.000) 6.516 4.187 ( 0.000 -2.009 0.000) 2.009 4.993 ( -0.000 4.269 0.000) 4.269 5.208 ( -0.000 0.640 0.000) 0.640 5.823 ( -0.000 0.198 0.000) 0.198 7.154 ( -0.000 0.492 0.000) 0.492 7.724 ( 0.000 -1.635 0.000) 1.635 8.188 ( 0.000 -0.555 0.000) 0.555 9.786 ( 0.000 -7.853 0.000) 7.853 11.188 ( -0.000 0.017 0.000) 0.017 11.602 ( -0.000 0.479 0.000) 0.479 13.145 ( 0.000 -0.053 0.000) 0.053 14.813 ( -0.000 14.504 0.000) 14.504 15.816 ( -0.000 0.874 0.000) 0.874 15.883 ( 0.000 -0.328 0.000) 0.328 16.433 ( -0.000 1.580 0.000) 1.580 17.269 ( 0.000 -4.734 0.000) 4.734 19.546 ( 0.000 -5.795 0.000) 5.795 20.077 ( 0.000 -5.162 0.000) 5.162 ======================= Grid point 28 (18/105) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 5.622 -0.000 0.000) 5.622 1.211 ( 8.939 -0.000 0.000) 8.939 1.291 ( -1.851 0.000 0.000) 1.851 1.341 ( -3.654 0.000 0.000) 3.654 1.724 ( -0.961 0.000 0.000) 0.961 2.103 ( -16.364 0.000 0.000) 16.364 2.323 ( -0.864 0.000 0.000) 0.864 2.328 ( 0.739 -0.000 0.000) 0.739 2.422 ( -7.116 0.000 0.000) 7.116 2.666 ( 19.591 -0.000 0.000) 19.591 2.698 ( 7.927 -0.000 0.000) 7.927 2.710 ( -1.352 0.000 0.000) 1.352 2.922 ( -1.068 0.000 0.000) 1.068 3.081 ( -1.233 0.000 0.000) 1.233 3.139 ( 1.541 -0.000 0.000) 1.541 3.183 ( 2.533 -0.000 0.000) 2.533 3.361 ( -0.830 0.000 0.000) 0.830 4.064 ( -13.410 0.000 0.000) 13.410 5.098 ( 0.086 -0.000 0.000) 0.086 5.249 ( 4.204 -0.000 0.000) 4.204 5.309 ( 1.446 -0.000 0.000) 1.446 6.651 ( -3.330 0.000 0.000) 3.330 6.908 ( -5.238 0.000 0.000) 5.238 7.032 ( 0.704 -0.000 0.000) 0.704 8.212 ( -0.539 0.000 0.000) 0.539 9.311 ( 3.235 -0.000 0.000) 3.235 11.190 ( 0.015 -0.000 0.000) 0.015 11.617 ( 0.371 -0.000 0.000) 0.371 13.143 ( -0.044 0.000 0.000) 0.044 15.617 ( -5.560 0.000 0.000) 5.560 15.826 ( 0.411 -0.000 0.000) 0.411 15.871 ( -0.205 0.000 0.000) 0.205 16.662 ( 1.421 -0.000 0.000) 1.421 16.904 ( -0.824 0.000 0.000) 0.824 19.119 ( 0.420 -0.000 0.000) 0.420 19.825 ( 1.846 -0.000 0.000) 1.846 ======================= Grid point 29 (19/105) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 2.498 -6.906 0.000) 7.344 1.226 ( -4.618 -4.284 0.000) 6.299 1.338 ( 0.479 -8.635 0.000) 8.649 1.575 ( 6.877 -14.307 0.000) 15.874 1.734 ( 0.197 -2.082 0.000) 2.091 1.861 ( -9.147 8.896 0.000) 12.759 2.270 ( -0.738 4.823 0.000) 4.880 2.318 ( -2.486 1.024 0.000) 2.689 2.330 ( -3.978 0.417 0.000) 4.000 2.681 ( -0.233 1.829 0.000) 1.843 2.793 ( 1.846 -7.199 0.000) 7.432 2.907 ( 1.842 -1.247 0.000) 2.224 2.984 ( 12.573 -4.335 0.000) 13.300 3.098 ( 0.396 -3.117 0.000) 3.142 3.173 ( 0.588 -1.721 0.000) 1.819 3.215 ( 1.097 -1.816 0.000) 2.121 3.321 ( -0.140 4.676 0.000) 4.678 3.893 ( -10.520 1.991 0.000) 10.706 5.016 ( 0.064 9.603 0.000) 9.603 5.257 ( 2.723 3.562 0.000) 4.483 5.310 ( 0.053 1.424 0.000) 1.425 6.333 ( -1.060 20.415 0.000) 20.443 7.057 ( 0.414 -2.105 0.000) 2.145 7.148 ( -3.678 -20.605 0.000) 20.931 8.203 ( -0.275 0.409 0.000) 0.493 9.381 ( 1.726 -4.756 0.000) 5.060 11.189 ( 0.003 0.017 0.000) 0.018 11.619 ( 0.160 0.128 0.000) 0.205 13.143 ( -0.022 -0.028 0.000) 0.035 15.489 ( -1.971 8.679 0.000) 8.900 15.837 ( 0.147 -0.523 0.000) 0.544 15.870 ( -0.124 -0.118 0.000) 0.171 16.610 ( 1.207 5.620 0.000) 5.749 16.970 ( -1.129 -6.727 0.000) 6.821 19.175 ( -0.461 -5.894 0.000) 5.912 19.859 ( 1.189 -1.917 0.000) 2.255 ======================= Grid point 30 (20/105) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 0.000 -10.997 0.000) 10.997 1.282 ( 0.000 -4.713 0.000) 4.713 1.521 ( 0.000 -8.877 0.000) 8.877 1.639 ( -0.000 8.947 0.000) 8.947 1.752 ( 0.000 -2.090 0.000) 2.090 1.870 ( 0.000 -10.928 0.000) 10.928 2.185 ( -0.000 5.572 0.000) 5.572 2.273 ( 0.000 -4.948 0.000) 4.948 2.347 ( 0.000 -1.748 0.000) 1.748 2.625 ( -0.000 4.468 0.000) 4.468 2.911 ( 0.000 -3.283 0.000) 3.283 2.930 ( 0.000 -1.694 0.000) 1.694 3.153 ( 0.000 -3.566 0.000) 3.566 3.170 ( -0.000 4.994 0.000) 4.994 3.209 ( -0.000 0.984 0.000) 0.984 3.237 ( 0.000 -11.874 0.000) 11.874 3.266 ( 0.000 -2.474 0.000) 2.474 3.808 ( -0.000 0.097 0.000) 0.097 4.788 ( -0.000 17.273 0.000) 17.273 5.195 ( -0.000 6.092 0.000) 6.092 5.267 ( -0.000 2.662 0.000) 2.662 6.037 ( -0.000 13.638 0.000) 13.638 7.102 ( 0.000 -2.781 0.000) 2.781 7.432 ( 0.000 -15.529 0.000) 15.529 8.193 ( -0.000 0.557 0.000) 0.557 9.502 ( 0.000 -7.910 0.000) 7.910 11.189 ( -0.000 0.033 0.000) 0.033 11.616 ( -0.000 0.300 0.000) 0.300 13.143 ( 0.000 -0.047 0.000) 0.047 15.296 ( -0.000 12.857 0.000) 12.857 15.841 ( -0.000 0.270 0.000) 0.270 15.872 ( 0.000 -0.229 0.000) 0.229 16.530 ( -0.000 4.519 0.000) 4.519 17.076 ( 0.000 -6.630 0.000) 6.630 19.292 ( 0.000 -8.210 0.000) 8.210 19.915 ( 0.000 -3.815 0.000) 3.815 ======================= Grid point 39 (21/105) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 -0.000 0.000) 0.000 1.160 ( 0.000 -0.000 0.000) 0.000 1.264 ( 0.000 -0.000 0.000) 0.000 1.477 ( 0.000 -0.000 0.000) 0.000 1.711 ( 0.000 -0.000 0.000) 0.000 1.888 ( 0.000 -0.000 0.000) 0.000 2.272 ( -0.000 0.000 0.000) 0.000 2.306 ( 0.000 -0.000 0.000) 0.000 2.370 ( 0.000 -0.000 0.000) 0.000 2.693 ( 0.000 -0.000 0.000) 0.000 2.712 ( 0.000 -0.000 0.000) 0.000 2.900 ( 0.000 -0.000 0.000) 0.000 3.041 ( -0.000 0.000 0.000) 0.000 3.100 ( 0.000 -0.000 0.000) 0.000 3.164 ( -0.000 0.000 0.000) 0.000 3.197 ( 0.000 -0.000 0.000) 0.000 3.363 ( 0.000 -0.000 0.000) 0.000 3.829 ( 0.000 -0.000 0.000) 0.000 5.099 ( 0.000 -0.000 0.000) 0.000 5.301 ( 0.000 -0.000 0.000) 0.000 5.326 ( 0.000 -0.000 0.000) 0.000 6.609 ( 0.000 -0.000 0.000) 0.000 6.844 ( 0.000 -0.000 0.000) 0.000 7.041 ( 0.000 -0.000 0.000) 0.000 8.205 ( 0.000 -0.000 0.000) 0.000 9.350 ( 0.000 -0.000 0.000) 0.000 11.190 ( 0.000 -0.000 0.000) 0.000 11.621 ( -0.000 0.000 0.000) 0.000 13.143 ( 0.000 -0.000 0.000) 0.000 15.551 ( 0.000 -0.000 0.000) 0.000 15.831 ( 0.000 -0.000 0.000) 0.000 15.869 ( 0.000 -0.000 0.000) 0.000 16.678 ( 0.000 -0.000 0.000) 0.000 16.894 ( 0.000 -0.000 0.000) 0.000 19.124 ( 0.000 -0.000 0.000) 0.000 19.848 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.157 ( 0.000 0.000 9.031) 9.031 0.461 ( 0.000 0.000 23.708) 23.708 0.915 ( 0.000 0.000 40.506) 40.506 1.727 ( 0.000 0.000 -3.799) 3.799 1.867 ( 0.000 0.000 -12.483) 12.483 2.195 ( 0.000 0.000 -1.417) 1.417 2.513 ( 0.000 0.000 2.174) 2.174 2.679 ( 0.000 0.000 9.131) 9.131 2.679 ( 0.000 0.000 3.663) 3.663 2.704 ( 0.000 0.000 -5.013) 5.013 2.745 ( 0.000 0.000 7.735) 7.735 2.843 ( 0.000 0.000 0.623) 0.623 3.071 ( 0.000 0.000 1.190) 1.190 3.126 ( 0.000 0.000 17.776) 17.776 3.179 ( 0.000 0.000 13.174) 13.174 3.492 ( 0.000 0.000 4.457) 4.457 3.568 ( 0.000 0.000 2.019) 2.019 3.585 ( 0.000 0.000 0.647) 0.647 4.899 ( 0.000 0.000 -2.925) 2.925 5.114 ( 0.000 0.000 1.964) 1.964 5.197 ( 0.000 0.000 -1.099) 1.099 6.218 ( 0.000 0.000 -4.549) 4.549 7.261 ( 0.000 0.000 -6.771) 6.771 8.091 ( 0.000 0.000 -15.550) 15.550 8.199 ( 0.000 0.000 5.683) 5.683 9.074 ( 0.000 0.000 2.810) 2.810 11.410 ( 0.000 0.000 22.514) 22.514 11.683 ( 0.000 0.000 10.079) 10.079 14.172 ( 0.000 0.000 -6.374) 6.374 15.721 ( 0.000 0.000 -7.253) 7.253 15.904 ( 0.000 0.000 1.576) 1.576 16.290 ( 0.000 0.000 0.741) 0.741 16.403 ( 0.000 0.000 1.486) 1.486 16.965 ( 0.000 0.000 -0.587) 0.587 19.112 ( 0.000 0.000 1.798) 1.798 19.687 ( 0.000 0.000 -1.981) 1.981 ======================= Grid point 70 (23/105) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 15.979 -5.721 7.010) 18.363 0.673 ( 15.485 -13.975 9.698) 23.003 1.128 ( 0.952 -21.291 31.058) 37.667 1.648 ( 1.604 7.712 -6.623) 10.291 1.902 ( -4.371 -2.850 -2.297) 5.701 2.110 ( -7.801 10.586 18.233) 22.480 2.214 ( -0.044 -0.454 0.251) 0.520 2.524 ( -2.040 4.950 3.646) 6.478 2.560 ( 1.857 9.292 6.284) 11.370 2.736 ( -0.566 -2.039 -0.943) 2.316 2.770 ( -5.009 0.191 3.658) 6.205 2.875 ( 0.134 1.941 1.496) 2.454 3.056 ( -1.696 -0.074 9.222) 9.377 3.122 ( -0.765 -3.760 11.092) 11.737 3.177 ( 1.485 -0.859 8.715) 8.882 3.406 ( -6.221 1.154 7.778) 10.026 3.664 ( 7.074 -1.640 0.228) 7.265 3.905 ( 4.692 -7.328 -14.883) 17.240 4.908 ( 2.101 0.718 -2.959) 3.700 5.053 ( -0.806 6.960 1.425) 7.150 5.207 ( -0.103 -0.914 0.078) 0.923 6.165 ( 5.269 10.894 -6.064) 13.535 7.309 ( -5.536 -5.755 -2.600) 8.399 7.688 ( 0.067 20.099 24.638) 31.797 8.103 ( -0.870 0.757 -13.406) 13.456 9.434 ( -9.813 -23.938 -12.601) 28.777 11.416 ( 0.817 0.094 22.643) 22.658 11.688 ( 0.504 -0.237 10.272) 10.287 13.967 ( -27.271 3.932 26.306) 38.094 15.083 ( 29.939 63.858 35.389) 78.909 15.725 ( 0.459 -0.104 -7.219) 7.234 15.914 ( -0.147 0.301 2.231) 2.256 16.379 ( 0.171 -0.306 -1.379) 1.423 17.264 ( -5.865 -8.290 -8.846) 13.468 19.574 ( -10.310 -25.640 -16.532) 32.203 19.705 ( -3.092 -5.632 -4.404) 7.789 ======================= Grid point 71 (24/105) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 8.664 -11.218 1.309) 14.235 1.075 ( 13.216 -11.471 12.919) 21.752 1.467 ( 0.704 -2.887 -3.659) 4.714 1.620 ( 6.768 -11.894 1.784) 13.800 1.946 ( -0.583 -8.077 9.352) 12.371 2.074 ( -0.851 -3.698 9.823) 10.530 2.230 ( -0.747 -1.199 -1.109) 1.796 2.389 ( -0.838 6.285 4.083) 7.542 2.473 ( 0.565 4.429 -0.653) 4.513 2.633 ( -6.623 5.551 3.371) 9.276 2.722 ( 0.489 5.281 3.521) 6.366 2.867 ( 1.416 -2.204 0.671) 2.704 3.037 ( -3.668 -1.310 10.154) 10.875 3.159 ( -1.204 -0.716 -0.328) 1.439 3.240 ( 1.201 -1.925 6.352) 6.745 3.361 ( -3.538 -5.457 11.417) 13.140 3.761 ( 7.145 0.457 -0.604) 7.185 3.875 ( -7.868 4.712 -6.511) 11.247 4.834 ( -1.939 13.268 2.666) 13.671 4.935 ( 2.720 3.280 -1.687) 4.582 5.226 ( 1.106 -0.762 0.476) 1.425 6.003 ( 1.922 11.310 -3.490) 11.992 7.273 ( -3.870 -0.835 13.382) 13.955 7.678 ( 6.245 -4.622 0.076) 7.769 8.075 ( -0.699 1.323 -14.319) 14.397 9.573 ( -11.367 -10.176 -6.148) 16.448 11.421 ( 0.508 0.209 23.107) 23.113 11.701 ( 0.729 -0.357 10.688) 10.719 13.640 ( -11.031 5.444 39.661) 41.525 14.821 ( 22.663 17.499 -0.059) 28.632 15.734 ( 0.673 -0.233 -7.226) 7.261 15.909 ( -0.235 0.128 1.994) 2.012 16.389 ( 0.488 -0.350 -1.428) 1.549 17.266 ( -4.529 -1.275 -6.111) 7.712 19.669 ( 0.726 -0.669 -3.506) 3.642 19.785 ( -13.217 -11.357 -7.777) 19.083 ======================= Grid point 72 (25/105) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 5.131 -10.660 -1.294) 11.901 1.374 ( 6.443 -2.473 2.890) 7.482 1.415 ( 4.504 -2.516 0.286) 5.166 1.897 ( -0.266 -1.766 0.629) 1.894 1.991 ( -3.061 -3.265 6.173) 7.625 2.135 ( -1.942 3.213 2.905) 4.747 2.272 ( 2.409 -5.730 7.301) 9.588 2.345 ( -1.992 -4.489 -2.508) 5.514 2.449 ( 2.565 -1.970 2.725) 4.230 2.524 ( -0.220 1.366 6.418) 6.566 2.636 ( 4.347 4.916 2.436) 7.000 2.942 ( 0.954 -3.809 0.205) 3.932 3.010 ( -2.778 0.468 2.746) 3.934 3.142 ( -1.319 0.390 4.990) 5.176 3.214 ( -0.933 2.495 4.717) 5.417 3.443 ( -5.202 1.496 -4.640) 7.129 3.710 ( -3.021 -4.308 7.114) 8.849 3.832 ( 1.044 -1.795 -0.405) 2.116 4.536 ( -1.381 17.899 7.075) 19.296 4.920 ( 1.348 1.744 -2.016) 2.987 5.253 ( 1.325 -0.468 -0.264) 1.430 5.874 ( 0.427 5.312 -1.041) 5.430 7.274 ( -0.735 -1.575 12.973) 13.089 7.823 ( 3.539 -4.337 -5.342) 7.737 8.047 ( -0.501 1.115 -14.969) 15.019 9.574 ( -6.710 -3.687 -1.889) 7.886 11.422 ( 0.209 0.145 23.303) 23.304 11.714 ( 0.514 -0.257 11.097) 11.112 13.503 ( -3.157 2.184 33.790) 34.008 14.839 ( 10.193 5.000 -7.710) 13.724 15.746 ( 0.518 -0.209 -7.242) 7.263 15.905 ( -0.166 0.076 1.920) 1.929 16.399 ( 0.410 -0.218 -1.405) 1.479 17.230 ( -2.598 0.077 -5.545) 6.124 19.685 ( 2.340 0.746 -2.681) 3.636 19.786 ( -8.894 -5.066 -3.840) 10.932 ======================= Grid point 73 (26/105) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 -0.000 -2.574) 2.574 1.315 ( 0.000 -0.000 -5.428) 5.428 1.675 ( 0.000 -0.000 2.681) 2.681 1.724 ( -0.000 0.000 8.398) 8.398 2.033 ( 0.000 -0.000 8.496) 8.496 2.060 ( 0.000 -0.000 3.183) 3.183 2.325 ( 0.000 -0.000 -0.917) 0.917 2.376 ( 0.000 -0.000 5.957) 5.957 2.490 ( 0.000 -0.000 1.219) 1.219 2.518 ( 0.000 -0.000 2.916) 2.916 2.763 ( 0.000 -0.000 -1.948) 1.948 2.942 ( -0.000 -0.000 0.044) 0.044 2.990 ( 0.000 -0.000 -2.341) 2.341 3.130 ( 0.000 -0.000 15.999) 15.999 3.179 ( 0.000 -0.000 -3.742) 3.742 3.292 ( -0.000 -0.000 -0.155) 0.155 3.838 ( 0.000 -0.000 1.782) 1.782 3.854 ( 0.000 -0.000 -0.564) 0.564 4.319 ( 0.000 -0.000 12.308) 12.308 4.912 ( 0.000 -0.000 -1.814) 1.814 5.266 ( 0.000 -0.000 -0.768) 0.768 5.833 ( 0.000 0.000 -0.099) 0.099 7.286 ( 0.000 -0.000 12.611) 12.611 7.883 ( 0.000 -0.000 -6.203) 6.203 8.033 ( 0.000 -0.000 -15.414) 15.414 9.563 ( 0.000 -0.000 -0.636) 0.636 11.422 ( 0.000 -0.000 23.330) 23.330 11.719 ( 0.000 -0.000 11.265) 11.265 13.469 ( 0.000 -0.000 31.589) 31.589 14.860 ( 0.000 0.000 -9.149) 9.149 15.751 ( 0.000 -0.000 -7.255) 7.255 15.903 ( 0.000 0.000 1.895) 1.895 16.404 ( 0.000 -0.000 -1.387) 1.387 17.213 ( 0.000 -0.000 -5.446) 5.446 19.695 ( -0.000 -0.000 -2.801) 2.801 19.772 ( 0.000 -0.000 -2.465) 2.465 ======================= Grid point 79 (27/105) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 11.042 -0.000 17.365) 20.579 0.841 ( 13.958 -0.000 22.047) 26.094 0.979 ( 21.237 -0.000 13.979) 25.425 1.768 ( 2.801 -0.000 -0.347) 2.822 1.801 ( -6.009 0.000 -8.691) 10.566 1.999 ( -20.339 0.000 29.490) 35.824 2.196 ( 0.314 -0.000 -2.720) 2.738 2.533 ( -2.793 0.000 3.869) 4.772 2.655 ( -2.191 0.000 1.050) 2.430 2.739 ( 0.285 -0.000 9.067) 9.072 2.740 ( -0.778 0.000 -1.853) 2.009 2.927 ( 5.327 -0.000 1.816) 5.628 3.032 ( -8.929 0.000 12.914) 15.700 3.087 ( 1.269 -0.000 1.384) 1.877 3.104 ( -3.544 0.000 15.131) 15.541 3.382 ( -4.908 0.000 9.756) 10.921 3.533 ( -4.064 0.000 0.393) 4.083 4.077 ( 14.692 -0.000 -18.573) 23.682 4.957 ( 4.639 -0.000 -2.742) 5.389 5.113 ( -0.064 0.000 1.671) 1.672 5.187 ( -0.084 0.000 -1.897) 1.899 6.380 ( 8.863 -0.000 -13.238) 15.931 7.185 ( -6.032 0.000 -6.402) 8.796 7.765 ( -21.389 0.000 30.028) 36.867 8.086 ( -0.477 0.000 -15.509) 15.517 9.124 ( 3.946 -0.000 2.388) 4.612 11.427 ( 0.659 -0.000 23.119) 23.128 11.694 ( 0.926 -0.000 10.580) 10.620 13.727 ( -17.885 0.000 32.544) 37.135 15.728 ( 0.563 -0.000 -7.259) 7.281 15.900 ( -0.274 0.000 1.576) 1.600 16.011 ( -15.505 0.000 0.453) 15.511 16.429 ( 5.259 -0.000 -4.886) 7.178 16.950 ( -1.177 0.000 -0.857) 1.456 19.115 ( 0.332 -0.000 1.839) 1.869 19.700 ( 1.463 -0.000 -1.877) 2.380 ======================= Grid point 80 (28/105) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 9.981 -2.424 10.569) 14.738 1.020 ( 4.503 -11.069 24.324) 27.101 1.414 ( 22.438 -9.730 -1.352) 24.494 1.641 ( -3.193 3.350 -1.847) 4.983 1.831 ( -1.476 -5.441 4.288) 7.083 1.940 ( -1.406 -5.634 16.377) 17.376 2.208 ( 0.498 -0.642 -2.241) 2.384 2.472 ( -2.916 3.503 2.352) 5.129 2.575 ( -3.208 8.543 2.541) 9.473 2.629 ( -5.020 3.624 4.218) 7.492 2.754 ( -0.144 0.060 -0.157) 0.221 2.877 ( -3.848 -0.390 7.983) 8.870 2.996 ( 1.733 0.472 3.435) 3.877 3.118 ( 0.031 -3.509 8.543) 9.236 3.161 ( -0.864 -4.668 4.685) 6.670 3.315 ( -2.809 1.132 13.332) 13.672 3.566 ( -8.573 -8.487 1.036) 12.108 4.097 ( 4.961 9.831 -11.767) 16.115 4.983 ( 2.969 5.551 -2.076) 6.629 5.044 ( 1.178 5.132 0.106) 5.266 5.220 ( 1.215 -1.795 -1.109) 2.435 6.280 ( 2.915 16.996 -8.780) 19.350 7.182 ( -4.035 -5.321 2.373) 7.087 7.596 ( -7.721 -5.204 15.950) 18.469 8.078 ( -0.967 0.286 -15.047) 15.081 9.284 ( -0.965 -10.822 0.079) 10.865 11.430 ( 0.232 0.220 23.622) 23.624 11.707 ( 1.078 -0.106 11.085) 11.138 13.565 ( -8.760 0.967 33.807) 34.937 15.486 ( 4.782 30.973 -2.627) 31.449 15.744 ( 0.937 0.242 -7.189) 7.254 15.905 ( -0.635 -0.104 1.741) 1.856 16.422 ( 3.819 2.926 -2.275) 5.322 17.100 ( -6.351 -10.480 -5.193) 13.309 19.314 ( -7.393 -18.483 -2.093) 20.017 19.723 ( 2.377 -0.111 -2.006) 3.112 ======================= Grid point 81 (29/105) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.234 -8.149 5.564) 11.170 1.289 ( 6.631 -12.927 12.916) 19.439 1.499 ( -0.286 3.608 -9.014) 9.714 1.801 ( 1.819 -8.768 0.920) 9.001 1.900 ( -2.684 -3.637 9.026) 10.094 2.108 ( 2.704 -4.654 -1.219) 5.519 2.221 ( -2.321 1.661 6.495) 7.094 2.301 ( 0.334 0.631 4.254) 4.314 2.458 ( -0.662 0.793 3.659) 3.802 2.568 ( 0.916 1.815 3.129) 3.731 2.721 ( -1.511 1.693 3.258) 3.970 2.905 ( 1.168 -3.443 2.444) 4.381 3.013 ( 3.671 1.321 2.813) 4.810 3.137 ( -0.606 0.164 1.450) 1.580 3.235 ( -1.101 -0.381 5.042) 5.175 3.309 ( -1.859 -6.649 10.274) 12.378 3.558 ( -11.281 -4.562 4.524) 12.982 3.950 ( 2.438 9.831 -4.996) 11.294 4.799 ( -1.082 14.634 1.403) 14.741 5.012 ( 3.788 4.744 -1.678) 6.299 5.259 ( 1.322 -0.760 -0.811) 1.727 6.026 ( 0.038 12.806 -3.364) 13.240 7.231 ( -0.168 -3.172 10.833) 11.289 7.680 ( -5.770 -10.956 -0.583) 12.396 8.057 ( -0.760 0.884 -15.135) 15.180 9.423 ( -0.900 -7.540 -0.011) 7.594 11.427 ( 0.021 0.249 23.623) 23.624 11.720 ( 0.837 0.030 11.498) 11.529 13.481 ( -3.725 0.540 31.383) 31.608 15.159 ( 6.682 17.939 -7.356) 20.508 15.753 ( 0.764 0.065 -7.298) 7.338 15.901 ( -0.431 -0.130 1.771) 1.827 16.423 ( 2.386 1.571 -1.770) 3.361 17.150 ( -4.680 -4.574 -5.274) 8.405 19.475 ( -8.935 -12.438 -2.065) 15.454 19.763 ( 3.693 -0.628 -2.255) 4.372 ======================= Grid point 82 (30/105) ======================= q-point: ( 0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.951 -7.649 1.488) 7.850 1.398 ( -0.633 5.282 -6.435) 8.349 1.614 ( 6.777 -10.405 2.436) 12.654 1.764 ( -8.100 7.287 6.083) 12.479 1.892 ( -6.869 -4.652 4.878) 9.623 2.023 ( -2.425 -2.561 7.392) 8.190 2.299 ( -0.724 -5.452 4.912) 7.374 2.358 ( 0.819 0.547 -1.132) 1.500 2.476 ( -2.330 -1.957 -0.174) 3.048 2.580 ( 3.291 3.939 5.777) 7.728 2.779 ( 8.115 -4.347 2.229) 9.472 2.988 ( 2.571 0.090 -3.907) 4.678 3.003 ( 1.698 3.052 2.674) 4.399 3.123 ( -0.591 0.626 9.368) 9.408 3.196 ( -0.002 0.807 -2.372) 2.506 3.290 ( -4.263 1.981 3.965) 6.149 3.650 ( -1.265 -15.681 8.110) 17.699 3.868 ( -0.164 2.222 -1.715) 2.812 4.507 ( -1.020 17.309 5.408) 18.162 4.969 ( 2.728 4.528 -1.948) 5.634 5.268 ( -0.229 0.443 -0.749) 0.900 5.874 ( -0.314 5.330 -0.794) 5.398 7.277 ( 0.870 -1.597 12.816) 12.944 7.770 ( -7.093 -7.838 -5.260) 11.807 8.037 ( -0.290 0.560 -15.338) 15.351 9.536 ( 2.771 -5.051 -0.312) 5.770 11.423 ( -0.102 0.178 23.383) 23.384 11.724 ( 0.338 0.325 11.617) 11.626 13.454 ( -1.243 -0.639 30.157) 30.189 14.976 ( 1.832 11.187 -9.116) 14.546 15.756 ( 0.302 0.338 -7.317) 7.331 15.900 ( -0.234 -0.213 1.838) 1.865 16.421 ( 1.287 1.255 -1.588) 2.399 17.173 ( -2.058 -3.239 -5.189) 6.454 19.546 ( -6.826 -7.640 -1.373) 10.336 19.832 ( 5.405 -1.144 -2.997) 6.286 ======================= Grid point 83 (31/105) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.116 5.693 -6.379) 11.124 1.323 ( 0.349 -0.567 -1.789) 1.909 1.474 ( -6.987 10.434 6.913) 14.335 1.863 ( 1.745 -7.531 3.229) 8.378 1.974 ( 0.709 -7.169 3.584) 8.046 2.072 ( 0.445 -4.543 9.300) 10.360 2.318 ( -1.854 0.989 -0.380) 2.135 2.357 ( -1.487 -0.708 1.497) 2.226 2.491 ( -3.779 -0.431 -2.952) 4.814 2.536 ( 2.195 1.116 4.754) 5.354 2.645 ( -2.865 16.001 4.969) 16.998 2.968 ( 0.945 -0.338 0.648) 1.195 3.055 ( 2.420 0.844 1.899) 3.190 3.137 ( 2.328 -1.720 9.020) 9.473 3.215 ( 1.993 0.348 -1.367) 2.442 3.373 ( 3.712 -8.784 0.000) 9.536 3.832 ( -0.470 0.711 0.613) 1.050 3.858 ( 0.679 -0.894 -0.651) 1.298 4.319 ( 0.086 -2.807 12.076) 12.398 4.931 ( 1.329 2.809 -2.768) 4.162 5.247 ( -1.269 0.688 0.261) 1.467 5.827 ( -0.478 0.091 -0.076) 0.493 7.301 ( 1.264 0.165 13.877) 13.935 7.767 ( -7.770 -2.161 -6.238) 10.196 8.035 ( 0.113 -0.541 -15.155) 15.165 9.659 ( 6.300 -3.143 -2.194) 7.374 11.419 ( -0.211 0.088 23.102) 23.103 11.717 ( -0.138 0.596 11.378) 11.395 13.478 ( 0.651 -2.991 32.280) 32.425 14.796 ( -4.357 8.989 -8.798) 13.311 15.749 ( -0.157 0.585 -7.287) 7.312 15.902 ( -0.045 -0.277 1.937) 1.957 16.411 ( 0.487 1.064 -1.474) 1.882 17.217 ( 0.235 -3.184 -5.236) 6.133 19.586 ( -4.068 -4.914 -1.209) 6.493 19.923 ( 6.977 -0.950 -4.731) 8.484 ======================= Grid point 84 (32/105) ======================= q-point: (-0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -7.913 11.555 -2.679) 14.259 1.198 ( -3.842 14.088 7.555) 16.441 1.392 ( -0.485 -5.188 -6.086) 8.011 1.900 ( 2.013 14.062 0.003) 14.205 1.984 ( -3.170 1.226 8.153) 8.833 2.144 ( 0.766 2.147 13.330) 13.523 2.228 ( -2.890 -1.091 1.166) 3.302 2.340 ( -0.325 -0.231 -0.548) 0.678 2.405 ( -1.676 -1.370 -0.092) 2.167 2.553 ( 0.409 -4.748 4.317) 6.430 2.650 ( 4.189 -5.846 -0.602) 7.217 2.932 ( 0.090 4.512 1.128) 4.651 3.069 ( 0.741 -0.660 11.624) 11.666 3.191 ( 2.757 0.163 -0.774) 2.868 3.231 ( -0.065 -0.371 0.862) 0.940 3.485 ( -0.128 -1.205 1.821) 2.188 3.657 ( -3.578 9.660 7.596) 12.799 3.937 ( 4.854 -3.822 -4.570) 7.685 4.567 ( 0.979 -19.039 8.057) 20.697 4.905 ( -0.123 1.116 -3.426) 3.605 5.225 ( -0.719 0.432 1.204) 1.468 5.858 ( -0.680 -4.659 -0.951) 4.804 7.314 ( 2.207 -0.002 16.711) 16.856 7.667 ( -6.635 3.773 -6.162) 9.809 8.055 ( 0.202 -1.472 -14.592) 14.668 9.770 ( 6.722 -0.080 -6.802) 9.563 11.415 ( -0.289 0.059 22.798) 22.800 11.703 ( -0.293 0.671 10.911) 10.935 13.594 ( 3.588 -9.164 40.761) 41.932 14.569 ( -9.461 8.284 -7.140) 14.461 15.736 ( -0.263 0.569 -7.245) 7.272 15.907 ( 0.049 -0.270 2.029) 2.047 16.398 ( 0.120 0.847 -1.400) 1.641 17.278 ( 1.205 -2.837 -5.492) 6.298 19.619 ( -1.661 -3.037 -1.515) 3.779 20.012 ( 6.785 0.676 -8.729) 11.077 ======================= Grid point 85 (33/105) ======================= q-point: (-0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 14.386 0.690) 14.402 0.893 ( -0.000 18.528 6.692) 19.699 1.501 ( 0.000 -7.829 -8.837) 11.807 1.523 ( -0.000 24.453 20.697) 32.036 1.980 ( -0.000 0.875 -0.674) 1.105 2.042 ( -0.000 4.467 17.062) 17.637 2.234 ( -0.000 1.484 -3.567) 3.863 2.396 ( 0.000 -6.675 6.733) 9.481 2.467 ( 0.000 -5.312 -1.311) 5.472 2.698 ( 0.000 -9.628 2.870) 10.046 2.767 ( 0.000 -1.863 -0.592) 1.955 2.866 ( -0.000 1.262 -0.258) 1.288 3.083 ( -0.000 0.221 14.672) 14.674 3.175 ( -0.000 2.829 3.584) 4.566 3.199 ( -0.000 3.499 1.371) 3.758 3.488 ( -0.000 3.341 10.313) 10.840 3.534 ( 0.000 -2.184 3.879) 4.452 4.014 ( -0.000 0.618 -9.832) 9.851 4.873 ( 0.000 -15.214 4.111) 15.760 4.892 ( -0.000 0.065 -3.335) 3.335 5.216 ( -0.000 0.300 1.008) 1.052 5.968 ( 0.000 -8.930 -2.527) 9.281 7.390 ( 0.000 -8.098 25.034) 26.311 7.506 ( -0.000 9.033 -7.130) 11.508 8.084 ( 0.000 -1.623 -13.963) 14.057 9.767 ( -0.000 7.580 -14.952) 16.764 11.411 ( -0.000 0.081 22.575) 22.576 11.691 ( -0.000 0.504 10.454) 10.467 13.940 ( 0.000 -30.135 61.818) 68.772 14.330 ( -0.000 9.014 -6.968) 11.394 15.726 ( -0.000 0.356 -7.234) 7.243 15.912 ( 0.000 -0.206 2.095) 2.105 16.387 ( -0.000 0.615 -1.341) 1.475 17.325 ( 0.000 -1.219 -6.409) 6.523 19.647 ( 0.000 -1.329 -2.234) 2.599 20.009 ( -0.000 7.297 -17.140) 18.628 ======================= Grid point 88 (34/105) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.482 0.000 26.122) 26.127 0.925 ( 15.730 -0.000 9.838) 18.553 1.559 ( 7.064 -0.000 16.692) 18.125 1.592 ( -11.100 0.000 -1.849) 11.253 1.701 ( 2.080 -0.000 -1.073) 2.340 2.031 ( 19.105 -0.000 11.058) 22.074 2.218 ( 1.505 -0.000 -5.567) 5.767 2.446 ( -6.113 0.000 2.403) 6.568 2.592 ( -4.214 0.000 1.132) 4.363 2.607 ( -14.312 0.000 2.740) 14.572 2.714 ( -1.369 0.000 -2.731) 3.054 2.814 ( -1.327 0.000 12.513) 12.583 3.054 ( 5.216 -0.000 -0.925) 5.298 3.081 ( -0.063 0.000 15.272) 15.272 3.122 ( 1.593 -0.000 1.507) 2.193 3.276 ( -4.246 0.000 16.809) 17.337 3.430 ( -3.922 0.000 0.478) 3.951 4.195 ( -2.451 0.000 -9.827) 10.128 5.082 ( 4.376 -0.000 -1.881) 4.763 5.117 ( 1.514 -0.000 0.157) 1.522 5.201 ( 1.154 -0.000 -4.601) 4.743 6.519 ( 2.911 -0.000 -12.955) 13.278 7.015 ( -7.722 0.000 -5.637) 9.560 7.425 ( -8.789 0.000 28.139) 29.480 8.070 ( -0.765 0.000 -15.511) 15.530 9.233 ( 4.921 -0.000 1.694) 5.204 11.433 ( -0.059 0.000 23.923) 23.923 11.720 ( 1.180 -0.000 11.751) 11.810 13.492 ( -4.918 0.000 30.820) 31.209 15.707 ( -10.925 0.000 -8.151) 13.630 15.743 ( 0.664 -0.000 -7.305) 7.335 15.893 ( -0.344 0.000 1.568) 1.606 16.545 ( 4.091 -0.000 -5.587) 6.925 16.916 ( -1.531 0.000 -1.466) 2.120 19.126 ( 0.552 -0.000 1.941) 2.018 19.749 ( 2.438 -0.000 -2.266) 3.328 ======================= Grid point 89 (35/105) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 2.135 -2.399 15.311) 15.645 1.184 ( 10.598 -8.475 8.658) 16.097 1.451 ( -8.442 -1.179 -1.535) 8.661 1.688 ( -3.716 -10.242 10.158) 14.896 1.784 ( 5.014 -3.571 8.246) 10.290 2.165 ( -0.957 6.140 -3.584) 7.173 2.237 ( -8.632 5.503 1.020) 10.288 2.329 ( 8.022 -2.189 2.987) 8.836 2.478 ( -0.251 2.326 3.958) 4.597 2.570 ( 2.207 -2.787 2.282) 4.224 2.705 ( -1.763 -0.524 -0.097) 1.842 2.851 ( 1.444 -3.527 6.963) 7.938 3.088 ( 2.636 0.048 5.035) 5.684 3.129 ( 1.558 -0.870 4.436) 4.782 3.155 ( 0.580 -3.732 5.240) 6.459 3.253 ( -2.476 -1.750 13.978) 14.303 3.393 ( -5.305 -0.740 2.078) 5.745 4.080 ( -5.889 6.239 -5.556) 10.221 5.002 ( -0.103 10.127 -1.006) 10.177 5.131 ( 4.595 3.109 -2.621) 6.136 5.252 ( 1.227 -2.040 -2.754) 3.641 6.299 ( -0.656 19.043 -6.698) 20.198 7.117 ( -2.149 -12.049 -2.082) 12.415 7.401 ( -7.407 -7.760 17.152) 20.231 8.058 ( -0.725 0.386 -15.440) 15.462 9.332 ( 3.481 -4.912 1.152) 6.129 11.430 ( -0.148 0.154 23.824) 23.825 11.732 ( 0.939 0.131 12.255) 12.291 13.448 ( -2.531 0.074 28.997) 29.107 15.462 ( -4.050 13.511 -9.517) 17.016 15.759 ( 0.412 -0.419 -7.454) 7.477 15.892 ( -0.421 -0.254 1.596) 1.670 16.519 ( 3.662 5.170 -3.254) 7.122 16.989 ( -3.297 -7.636 -3.629) 9.074 19.215 ( -2.008 -8.930 1.106) 9.220 19.785 ( 2.647 -0.971 -2.451) 3.736 ======================= Grid point 90 (36/105) ======================= q-point: ( 0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.537 -6.685 8.025) 10.459 1.382 ( -4.352 -3.633 -1.101) 5.775 1.489 ( 4.338 -11.395 -1.528) 12.288 1.744 ( -0.610 0.297 2.689) 2.773 1.847 ( -9.188 6.370 3.539) 11.726 1.971 ( 1.220 -4.008 14.854) 15.433 2.202 ( -0.019 -2.973 0.158) 2.977 2.363 ( -2.049 0.036 1.573) 2.584 2.401 ( -6.632 0.674 1.244) 6.781 2.668 ( 1.230 2.298 3.075) 4.031 2.817 ( 12.652 -4.569 1.961) 13.594 2.962 ( 5.448 -5.611 2.052) 8.085 3.102 ( 1.106 0.687 7.039) 7.159 3.153 ( 3.230 0.797 0.219) 3.334 3.203 ( -1.790 2.643 -0.803) 3.291 3.255 ( -1.976 -0.624 8.803) 9.044 3.384 ( -3.676 -10.712 10.218) 15.254 3.907 ( -5.418 4.854 -2.179) 7.593 4.782 ( -0.424 15.485 0.015) 15.491 5.102 ( 3.636 5.871 -2.625) 7.388 5.273 ( -0.299 0.306 -1.356) 1.422 6.017 ( -0.550 12.541 -2.766) 12.854 7.250 ( 1.684 -3.973 10.774) 11.606 7.491 ( -8.532 -12.800 -0.149) 15.384 8.043 ( -0.434 0.591 -15.393) 15.410 9.468 ( 3.043 -6.671 0.387) 7.342 11.425 ( -0.142 0.211 23.503) 23.505 11.736 ( 0.486 0.446 12.382) 12.399 13.429 ( -1.165 -0.388 28.083) 28.110 15.208 ( -0.607 13.614 -9.948) 16.873 15.765 ( 0.289 0.176 -7.485) 7.493 15.892 ( -0.271 -0.294 1.712) 1.758 16.481 ( 2.096 3.545 -2.265) 4.700 17.066 ( -2.409 -5.904 -4.368) 7.729 19.338 ( -3.309 -9.041 0.459) 9.639 19.847 ( 2.968 -2.463 -2.916) 4.835 ======================= Grid point 91 (37/105) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -2.500 -2.302 -2.333) 4.122 1.333 ( -3.343 2.291 1.411) 4.291 1.579 ( -1.390 5.873 0.010) 6.035 1.694 ( -4.292 -5.899 4.435) 8.537 1.882 ( 5.310 -10.457 0.560) 11.741 2.042 ( 4.526 0.141 9.738) 10.739 2.242 ( -6.272 -2.145 11.872) 13.597 2.353 ( -0.535 -0.233 -1.815) 1.907 2.365 ( -3.665 -6.543 -5.681) 9.408 2.623 ( 0.815 4.145 5.265) 6.750 2.897 ( 1.458 10.466 3.832) 11.241 2.994 ( 0.346 4.764 -1.938) 5.155 3.057 ( -0.315 -0.433 6.126) 6.149 3.173 ( 4.342 -0.293 2.675) 5.109 3.236 ( 0.503 -0.462 -0.075) 0.687 3.282 ( 3.183 -6.382 4.700) 8.542 3.631 ( -0.521 -18.165 6.618) 19.340 3.825 ( -2.316 -0.969 -1.278) 2.817 4.491 ( -0.337 17.330 4.280) 17.854 5.030 ( 1.902 6.195 -3.703) 7.464 5.248 ( -0.984 1.066 0.559) 1.554 5.866 ( -0.243 5.315 -0.606) 5.354 7.308 ( 1.405 -1.146 15.675) 15.779 7.594 ( -5.620 -8.701 -6.759) 12.368 8.032 ( -0.104 0.162 -15.329) 15.330 9.621 ( 2.755 -7.136 -1.065) 7.723 11.420 ( -0.104 0.216 23.150) 23.152 11.729 ( 0.086 0.757 12.085) 12.109 13.437 ( -0.285 -1.729 28.908) 28.961 14.974 ( -0.792 13.765 -9.454) 16.718 15.760 ( 0.038 0.681 -7.427) 7.458 15.896 ( -0.097 -0.381 1.858) 1.899 16.447 ( 0.695 2.397 -1.836) 3.098 17.141 ( -0.685 -5.193 -4.677) 7.022 19.443 ( -2.116 -7.404 -0.037) 7.701 19.933 ( 2.590 -3.698 -3.974) 6.015 ======================= Grid point 92 (38/105) ======================= q-point: (-0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.000 8.611 -6.091) 10.547 1.324 ( 0.000 -2.557 0.579) 2.622 1.406 ( -0.000 12.245 4.083) 12.908 1.829 ( 0.000 -10.030 3.863) 10.748 2.079 ( 0.000 -6.516 10.680) 12.511 2.100 ( 0.000 -3.900 2.808) 4.806 2.200 ( -0.000 2.541 -1.826) 3.130 2.344 ( -0.000 0.313 -2.915) 2.932 2.422 ( -0.000 0.956 1.088) 1.448 2.558 ( -0.000 3.599 5.185) 6.312 2.656 ( -0.000 8.696 5.053) 10.057 2.988 ( -0.000 1.506 -0.563) 1.608 3.056 ( 0.000 -0.620 10.200) 10.218 3.205 ( 0.000 -0.630 -1.335) 1.477 3.236 ( -0.000 0.421 -0.074) 0.427 3.404 ( 0.000 -5.504 4.968) 7.415 3.825 ( -0.000 1.953 -0.602) 2.043 3.874 ( 0.000 -5.072 -2.171) 5.517 4.322 ( 0.000 -4.281 11.784) 12.537 4.951 ( -0.000 4.102 -4.138) 5.827 5.228 ( -0.000 0.593 1.652) 1.755 5.819 ( -0.000 0.310 -0.027) 0.311 7.326 ( 0.000 -0.095 16.629) 16.630 7.648 ( 0.000 -1.834 -7.733) 7.948 8.037 ( 0.000 -0.759 -15.053) 15.073 9.751 ( 0.000 -5.585 -3.632) 6.662 11.416 ( -0.000 0.189 22.865) 22.865 11.715 ( -0.000 0.858 11.502) 11.534 13.488 ( 0.000 -4.773 33.081) 33.424 14.730 ( -0.000 13.956 -8.487) 16.334 15.746 ( -0.000 0.807 -7.318) 7.362 15.902 ( 0.000 -0.383 1.975) 2.012 16.418 ( -0.000 1.453 -1.554) 2.127 17.220 ( 0.000 -4.470 -5.031) 6.730 19.538 ( 0.000 -5.360 -0.700) 5.405 20.015 ( 0.000 -3.479 -5.944) 6.887 ======================= Grid point 97 (39/105) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.748 0.000 17.177) 17.193 1.257 ( 5.275 -0.000 4.401) 6.870 1.371 ( -0.307 0.000 3.224) 3.239 1.507 ( -2.828 0.000 14.535) 14.808 1.814 ( 3.066 -0.000 10.300) 10.747 2.097 ( -16.194 0.000 0.695) 16.209 2.256 ( 1.459 -0.000 -6.203) 6.372 2.374 ( 0.172 -0.000 3.190) 3.195 2.442 ( -8.012 0.000 0.807) 8.053 2.683 ( -1.144 0.000 -2.639) 2.876 2.690 ( 20.834 -0.000 1.445) 20.884 2.832 ( 2.265 -0.000 10.964) 11.195 3.092 ( 1.076 -0.000 13.545) 13.588 3.138 ( 1.818 -0.000 -0.720) 1.956 3.165 ( 1.683 -0.000 -1.182) 2.057 3.184 ( -3.520 0.000 18.182) 18.520 3.376 ( -0.608 0.000 1.318) 1.452 4.024 ( -10.884 0.000 -2.878) 11.258 5.101 ( -0.107 0.000 0.208) 0.234 5.218 ( 3.961 -0.000 -3.007) 4.973 5.230 ( 1.042 -0.000 -6.431) 6.515 6.538 ( -0.530 0.000 -9.480) 9.495 6.860 ( -5.028 0.000 -4.966) 7.067 7.303 ( -2.568 0.000 23.495) 23.635 8.054 ( -0.568 0.000 -15.589) 15.599 9.332 ( 3.152 -0.000 1.325) 3.419 11.429 ( -0.171 0.000 23.796) 23.797 11.744 ( 0.741 -0.000 12.869) 12.890 13.426 ( -1.385 0.000 27.726) 27.761 15.505 ( -6.094 0.000 -11.163) 12.718 15.756 ( 0.366 -0.000 -7.401) 7.410 15.886 ( -0.214 0.000 1.552) 1.567 16.614 ( 1.899 -0.000 -4.724) 5.091 16.886 ( -0.979 0.000 -2.015) 2.240 19.139 ( 0.453 -0.000 2.042) 2.092 19.801 ( 1.780 -0.000 -2.504) 3.072 ======================= Grid point 98 (40/105) ======================= q-point: ( 0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.389 -4.083 12.350) 13.013 1.253 ( -4.757 -3.399 2.614) 6.404 1.401 ( 3.749 -2.978 2.978) 5.638 1.695 ( 3.623 -12.256 4.862) 13.674 1.837 ( -2.539 2.716 6.329) 7.340 1.906 ( -4.439 0.151 12.918) 13.660 2.231 ( 0.911 3.654 -3.143) 4.905 2.319 ( -6.395 2.760 1.573) 7.141 2.371 ( -1.815 0.299 1.224) 2.210 2.681 ( -0.311 -0.599 -0.703) 0.974 2.865 ( 2.783 -3.618 5.333) 7.020 2.983 ( 14.104 -4.238 0.372) 14.732 3.106 ( 0.200 0.880 13.278) 13.309 3.137 ( -0.826 -1.969 5.404) 5.810 3.188 ( -0.180 -3.593 3.288) 4.874 3.217 ( 0.363 -2.877 6.040) 6.700 3.333 ( -0.418 4.836 1.338) 5.035 3.879 ( -8.651 2.071 -0.011) 8.895 5.000 ( -0.066 10.348 -1.539) 10.462 5.220 ( 2.660 3.187 -3.392) 5.361 5.265 ( -0.249 -0.915 -3.668) 3.788 6.278 ( -0.665 18.664 -5.308) 19.415 7.068 ( -1.632 -18.707 -6.540) 19.885 7.293 ( -1.963 -1.554 20.664) 20.815 8.046 ( -0.293 0.318 -15.544) 15.550 9.399 ( 1.684 -4.429 1.003) 4.844 11.426 ( -0.099 0.126 23.602) 23.603 11.748 ( 0.349 0.307 13.057) 13.065 13.416 ( -0.585 -0.072 27.102) 27.108 15.378 ( -2.219 8.183 -11.266) 14.100 15.765 ( 0.122 -0.457 -7.556) 7.571 15.886 ( -0.127 -0.176 1.597) 1.611 16.577 ( 1.231 4.860 -3.396) 6.056 16.940 ( -1.000 -6.010 -3.135) 6.852 19.192 ( -0.362 -5.489 1.712) 5.761 19.832 ( 1.137 -1.754 -2.688) 3.405 ======================= Grid point 99 (41/105) ======================= q-point: (-0.38 -0.62 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 -6.083 6.338) 8.785 1.293 ( 0.000 -3.926 1.221) 4.112 1.547 ( 0.000 -8.946 -3.069) 9.458 1.675 ( -0.000 6.757 3.424) 7.575 1.808 ( 0.000 -1.464 1.455) 2.064 2.073 ( 0.000 -10.832 22.893) 25.326 2.172 ( -0.000 4.643 0.013) 4.644 2.229 ( 0.000 -1.708 -2.183) 2.771 2.356 ( -0.000 0.380 -0.718) 0.813 2.676 ( -0.000 1.487 2.680) 3.065 2.935 ( 0.000 -2.394 1.510) 2.830 3.064 ( -0.000 1.354 7.177) 7.303 3.155 ( -0.000 4.983 -0.519) 5.010 3.174 ( 0.000 -5.472 6.943) 8.840 3.214 ( -0.000 4.629 0.608) 4.668 3.254 ( 0.000 -1.378 2.087) 2.501 3.332 ( 0.000 -14.675 8.971) 17.199 3.800 ( -0.000 0.797 0.812) 1.138 4.777 ( -0.000 15.749 -0.465) 15.755 5.155 ( -0.000 6.360 -3.971) 7.498 5.260 ( -0.000 0.854 -0.704) 1.107 6.009 ( -0.000 12.245 -2.530) 12.503 7.298 ( 0.000 -1.204 18.837) 18.875 7.355 ( 0.000 -15.291 -7.739) 17.138 8.037 ( -0.000 0.463 -15.435) 15.442 9.510 ( 0.000 -7.226 0.184) 7.229 11.423 ( -0.000 0.207 23.357) 23.358 11.742 ( -0.000 0.626 12.752) 12.767 13.417 ( 0.000 -0.566 27.230) 27.236 15.193 ( -0.000 12.246 -10.497) 16.130 15.768 ( -0.000 0.203 -7.576) 7.578 15.889 ( 0.000 -0.317 1.724) 1.753 16.507 ( -0.000 4.085 -2.457) 4.767 17.039 ( 0.000 -6.203 -3.980) 7.371 19.302 ( 0.000 -7.686 0.994) 7.750 19.884 ( 0.000 -3.398 -3.175) 4.651 ======================= Grid point 108 (42/105) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 -0.000 13.322) 13.322 1.194 ( 0.000 -0.000 3.457) 3.457 1.475 ( 0.000 -0.000 12.774) 12.774 1.514 ( 0.000 -0.000 3.683) 3.683 1.864 ( 0.000 -0.000 16.548) 16.548 1.870 ( 0.000 -0.000 -0.930) 0.930 2.274 ( 0.000 -0.000 0.082) 0.082 2.315 ( 0.000 -0.000 -5.320) 5.320 2.360 ( 0.000 -0.000 3.322) 3.322 2.668 ( 0.000 -0.000 -2.461) 2.461 2.831 ( 0.000 -0.000 10.294) 10.294 3.056 ( 0.000 -0.000 2.201) 2.201 3.084 ( 0.000 -0.000 6.159) 6.159 3.157 ( 0.000 -0.000 19.574) 19.574 3.163 ( -0.000 0.000 -0.101) 0.101 3.176 ( 0.000 -0.000 -2.174) 2.174 3.377 ( 0.000 -0.000 1.269) 1.269 3.830 ( 0.000 -0.000 1.671) 1.671 5.099 ( 0.000 -0.000 -0.025) 0.025 5.243 ( 0.000 -0.000 -7.002) 7.002 5.266 ( 0.000 -0.000 -3.329) 3.329 6.526 ( 0.000 -0.000 -7.965) 7.965 6.799 ( 0.000 -0.000 -4.697) 4.697 7.276 ( 0.000 -0.000 21.896) 21.896 8.047 ( 0.000 -0.000 -15.633) 15.633 9.370 ( 0.000 -0.000 1.244) 1.244 11.427 ( 0.000 -0.000 23.635) 23.635 11.753 ( 0.000 -0.000 13.316) 13.316 13.412 ( 0.000 -0.000 26.892) 26.892 15.433 ( 0.000 -0.000 -11.930) 11.930 15.760 ( 0.000 -0.000 -7.456) 7.456 15.883 ( 0.000 -0.000 1.544) 1.544 16.636 ( 0.000 -0.000 -4.273) 4.273 16.874 ( 0.000 -0.000 -2.225) 2.225 19.144 ( 0.000 -0.000 2.084) 2.084 19.823 ( 0.000 -0.000 -2.585) 2.585 ======================= Grid point 138 (43/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 0.000 10.572) 10.572 0.903 ( 0.000 0.000 22.149) 22.149 1.471 ( 0.000 0.000 17.785) 17.785 1.580 ( 0.000 0.000 -16.481) 16.481 1.648 ( 0.000 0.000 -3.542) 3.542 2.153 ( 0.000 0.000 -3.205) 3.205 2.569 ( 0.000 0.000 0.270) 0.270 2.576 ( 0.000 0.000 -7.742) 7.742 2.749 ( 0.000 0.000 5.608) 5.608 2.815 ( 0.000 0.000 5.474) 5.474 2.863 ( 0.000 0.000 1.358) 1.358 2.894 ( 0.000 0.000 6.877) 6.877 3.101 ( 0.000 0.000 1.905) 1.905 3.376 ( 0.000 0.000 4.208) 4.208 3.388 ( 0.000 0.000 2.734) 2.734 3.596 ( 0.000 0.000 0.256) 0.256 3.833 ( 0.000 0.000 28.423) 28.423 3.850 ( 0.000 0.000 35.143) 35.143 4.837 ( 0.000 0.000 -2.962) 2.962 5.159 ( 0.000 0.000 2.447) 2.447 5.180 ( 0.000 0.000 -0.225) 0.225 6.107 ( 0.000 0.000 -6.361) 6.361 7.071 ( 0.000 0.000 -12.909) 12.909 7.692 ( 0.000 0.000 -25.360) 25.360 8.349 ( 0.000 0.000 9.599) 9.599 9.107 ( 0.000 0.000 0.085) 0.085 11.954 ( 0.000 0.000 17.669) 17.669 12.004 ( 0.000 0.000 37.696) 37.696 13.996 ( 0.000 0.000 -11.553) 11.553 15.505 ( 0.000 0.000 -15.381) 15.381 15.947 ( 0.000 0.000 2.891) 2.891 16.283 ( 0.000 0.000 -1.623) 1.623 16.468 ( 0.000 0.000 5.214) 5.214 16.945 ( 0.000 0.000 -1.553) 1.553 19.162 ( 0.000 0.000 3.437) 3.437 19.632 ( 0.000 0.000 -3.697) 3.697 ======================= Grid point 139 (44/105) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 21.660 -3.107 5.450) 22.551 0.901 ( 5.370 -1.113 14.525) 15.526 1.449 ( -1.242 6.111 -7.281) 9.587 1.604 ( -2.652 -11.686 8.869) 14.908 1.797 ( 4.149 -8.685 -4.057) 10.445 2.154 ( -0.669 -0.067 -2.674) 2.757 2.382 ( -3.174 12.775 2.639) 13.425 2.582 ( -3.864 3.439 6.606) 8.390 2.671 ( -1.472 0.490 0.724) 1.712 2.718 ( 2.500 5.037 2.282) 6.069 2.837 ( -5.345 0.073 2.713) 5.995 2.911 ( 2.424 5.094 2.539) 6.186 3.141 ( 0.932 -3.435 2.781) 4.517 3.263 ( -7.749 2.878 3.223) 8.872 3.426 ( 5.549 2.319 5.917) 8.437 3.647 ( -4.549 -3.986 2.075) 6.394 3.841 ( 1.039 -1.054 26.940) 26.980 3.919 ( 2.742 -3.355 24.848) 25.223 4.845 ( 2.442 1.008 -3.071) 4.051 5.089 ( -0.886 5.751 2.356) 6.278 5.213 ( -0.286 -1.914 0.634) 2.037 6.051 ( 2.333 7.555 -5.436) 9.596 7.139 ( -2.181 -8.814 -12.810) 15.702 7.670 ( -0.003 2.342 -23.973) 24.087 8.142 ( -3.339 13.647 16.729) 21.847 9.282 ( -1.730 -14.708 -5.673) 15.858 11.963 ( 1.100 -0.214 18.716) 18.749 12.012 ( 0.713 -0.265 36.856) 36.864 14.036 ( 0.460 -4.085 -8.232) 9.201 15.508 ( 0.176 0.086 -15.099) 15.101 15.729 ( -3.119 42.011 24.885) 48.928 15.987 ( -1.227 4.295 6.344) 7.759 16.342 ( -0.526 0.030 -2.218) 2.280 17.094 ( -3.605 -7.732 -8.251) 11.868 19.369 ( -2.654 -18.585 -4.819) 19.382 19.640 ( 0.339 -0.784 -3.639) 3.737 ======================= Grid point 140 (45/105) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 8.597 -2.769 2.041) 9.260 1.158 ( 15.230 -6.592 -1.149) 16.635 1.381 ( 6.069 1.762 -4.145) 7.558 1.710 ( -6.616 -7.183 4.155) 10.612 1.982 ( 1.088 -7.237 -3.684) 8.194 2.134 ( -1.365 -0.465 0.581) 1.554 2.245 ( 1.961 3.197 -2.919) 4.753 2.480 ( -3.454 5.438 4.609) 7.921 2.587 ( 0.614 1.488 6.816) 7.004 2.693 ( -1.755 3.932 3.152) 5.336 2.812 ( 2.325 4.157 5.903) 7.585 2.859 ( 0.261 -3.116 -1.600) 3.513 3.133 ( -7.528 1.330 2.453) 8.028 3.192 ( -1.071 -1.891 3.174) 3.846 3.414 ( 1.339 4.039 4.141) 5.938 3.606 ( -4.380 1.693 5.887) 7.530 3.881 ( 1.187 -1.585 18.464) 18.570 3.962 ( -0.620 -0.620 23.068) 23.084 4.842 ( 1.479 3.025 -2.028) 3.931 4.947 ( -0.483 9.301 3.821) 10.067 5.235 ( 0.029 -0.905 0.307) 0.957 5.943 ( 1.371 6.748 -1.779) 7.112 7.277 ( -1.846 -9.321 -10.906) 14.465 7.636 ( 0.784 1.578 -21.852) 21.923 7.951 ( -0.357 6.522 16.362) 17.617 9.448 ( -4.752 -9.334 -7.158) 12.686 11.985 ( 1.750 -0.325 20.882) 20.958 12.024 ( 0.433 -0.230 35.396) 35.399 14.126 ( -0.779 -6.294 3.454) 7.221 15.051 ( 1.833 31.638 27.654) 42.061 15.522 ( 0.760 -0.144 -15.017) 15.037 15.964 ( -0.524 0.156 3.645) 3.686 16.348 ( 0.280 -0.471 -2.762) 2.816 17.112 ( -4.074 -1.336 -9.540) 10.459 19.566 ( -3.532 -8.652 -5.766) 10.980 19.670 ( -1.634 -3.665 -4.337) 5.909 ======================= Grid point 141 (46/105) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 6.407 -6.375 -4.631) 10.156 1.240 ( 2.126 2.895 -6.646) 7.555 1.588 ( 9.822 -5.270 6.254) 12.781 1.784 ( 1.150 -7.550 -7.254) 10.533 1.991 ( -4.005 2.712 -7.808) 9.184 2.126 ( -1.730 1.039 -0.755) 2.155 2.271 ( 1.706 -1.875 -2.391) 3.485 2.377 ( -3.631 -0.492 2.774) 4.596 2.569 ( 0.284 1.163 3.297) 3.508 2.633 ( 5.664 5.625 0.335) 7.990 2.793 ( -0.250 1.577 6.889) 7.071 2.932 ( -0.295 -4.616 -0.370) 4.640 3.060 ( -3.391 -0.557 6.800) 7.619 3.166 ( -3.708 2.402 0.775) 4.485 3.362 ( -1.367 -0.301 2.860) 3.185 3.518 ( -1.357 3.999 8.829) 9.787 3.908 ( -0.530 -1.243 13.392) 13.460 3.967 ( -0.298 -1.304 22.988) 23.027 4.705 ( -2.131 9.961 9.904) 14.207 4.867 ( 2.201 2.700 -3.145) 4.693 5.245 ( 0.113 -0.227 -0.671) 0.717 5.877 ( 0.565 2.553 2.328) 3.501 7.388 ( -0.623 -5.324 -7.025) 8.837 7.632 ( 0.437 0.297 -24.445) 24.451 7.888 ( 0.819 2.037 13.972) 14.143 9.504 ( -3.684 -3.940 -5.851) 7.958 12.009 ( 1.640 -0.120 24.225) 24.281 12.029 ( -0.276 -0.217 32.878) 32.880 14.208 ( -2.361 -5.087 27.087) 27.661 14.705 ( 4.551 15.184 2.976) 16.129 15.533 ( 0.532 -0.196 -15.050) 15.061 15.957 ( -0.316 0.041 3.475) 3.490 16.359 ( 0.344 -0.314 -2.743) 2.783 17.078 ( -2.554 0.189 -10.262) 10.577 19.620 ( -0.278 -1.733 -3.627) 4.029 19.704 ( -3.337 -3.359 -4.265) 6.373 ======================= Grid point 142 (47/105) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 -0.000 -6.353) 6.353 1.206 ( 0.000 -0.000 -5.355) 5.355 1.693 ( 0.000 -0.000 -2.205) 2.205 1.839 ( -0.000 -0.000 1.827) 1.827 2.013 ( 0.000 -0.000 -6.466) 6.466 2.029 ( -0.000 -0.000 -4.552) 4.552 2.290 ( 0.000 -0.000 -1.594) 1.594 2.394 ( 0.000 -0.000 -2.027) 2.027 2.571 ( 0.000 -0.000 3.615) 3.615 2.686 ( 0.000 -0.000 2.222) 2.222 2.686 ( -0.000 0.000 -2.239) 2.239 2.999 ( 0.000 -0.000 2.670) 2.670 3.042 ( 0.000 -0.000 6.768) 6.768 3.088 ( -0.000 0.000 -2.703) 2.703 3.379 ( 0.000 -0.000 8.962) 8.962 3.468 ( -0.000 -0.000 11.687) 11.687 3.917 ( 0.000 -0.000 11.030) 11.030 3.983 ( 0.000 -0.000 18.849) 18.849 4.588 ( 0.000 -0.000 14.612) 14.612 4.858 ( 0.000 -0.000 -3.632) 3.632 5.247 ( 0.000 -0.000 -1.154) 1.154 5.861 ( 0.000 0.000 3.903) 3.903 7.431 ( 0.000 -0.000 -5.031) 5.031 7.631 ( 0.000 -0.000 -25.738) 25.738 7.880 ( 0.000 -0.000 12.573) 12.573 9.513 ( 0.000 -0.000 -5.151) 5.151 12.024 ( 0.000 0.000 37.453) 37.453 12.025 ( -0.000 -0.000 20.000) 20.000 14.236 ( 0.000 -0.000 45.005) 45.005 14.611 ( 0.000 0.000 -16.227) 16.227 15.538 ( 0.000 -0.000 -15.038) 15.038 15.955 ( 0.000 0.000 3.442) 3.442 16.364 ( 0.000 -0.000 -2.705) 2.705 17.060 ( 0.000 -0.000 -10.556) 10.556 19.633 ( -0.000 -0.000 -3.245) 3.245 19.711 ( 0.000 -0.000 -3.661) 3.661 ======================= Grid point 148 (48/105) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 31.740 -0.000 0.402) 31.743 0.968 ( 5.618 -0.000 19.547) 20.338 1.362 ( -5.446 0.000 13.550) 14.603 1.580 ( -0.407 0.000 -13.386) 13.392 1.765 ( 6.084 -0.000 0.519) 6.106 2.148 ( -0.777 0.000 -2.473) 2.592 2.438 ( -11.471 0.000 14.765) 18.697 2.567 ( -0.734 0.000 -7.692) 7.727 2.585 ( -3.942 0.000 3.474) 5.254 2.766 ( -3.880 0.000 2.070) 4.397 2.841 ( -1.167 0.000 3.274) 3.475 2.976 ( 3.079 -0.000 3.164) 4.415 3.123 ( 1.636 -0.000 2.220) 2.758 3.163 ( -13.642 0.000 1.933) 13.778 3.502 ( 2.915 -0.000 13.554) 13.864 3.535 ( -4.478 0.000 -0.282) 4.486 3.829 ( -0.119 0.000 32.614) 32.614 3.974 ( 7.791 -0.000 16.226) 17.999 4.900 ( 4.926 -0.000 -2.652) 5.594 5.151 ( -0.672 0.000 1.997) 2.107 5.163 ( -1.212 0.000 -0.406) 1.278 6.179 ( 5.093 -0.000 -8.870) 10.228 7.005 ( -5.270 0.000 -12.281) 13.364 7.687 ( -0.505 0.000 -25.391) 25.396 8.181 ( -11.508 0.000 17.056) 20.576 9.147 ( 3.217 -0.000 -0.527) 3.260 11.979 ( 1.995 -0.000 18.523) 18.630 12.022 ( 1.017 -0.000 37.225) 37.239 14.014 ( 1.341 -0.000 0.113) 1.346 15.513 ( 0.609 -0.000 -15.277) 15.289 15.944 ( -0.252 0.000 2.932) 2.942 16.105 ( -22.489 0.000 8.980) 24.216 16.346 ( 2.245 -0.000 -3.896) 4.496 16.920 ( -1.950 0.000 -2.353) 3.056 19.167 ( 0.428 -0.000 3.516) 3.542 19.646 ( 1.230 -0.000 -3.725) 3.923 ======================= Grid point 149 (49/105) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 8.031 7.899 10.333) 15.286 1.300 ( 16.650 -2.698 -0.433) 16.873 1.426 ( 4.188 -6.024 8.599) 11.304 1.562 ( 0.553 -1.787 -5.417) 5.731 1.876 ( 1.747 -5.521 1.323) 5.940 2.116 ( -2.508 1.553 -0.354) 2.971 2.301 ( -1.187 2.046 6.465) 6.884 2.491 ( -4.086 3.120 2.192) 5.588 2.625 ( -3.330 -1.637 0.514) 3.746 2.706 ( -4.677 2.674 5.482) 7.686 2.752 ( -1.403 0.090 0.340) 1.447 2.961 ( -0.056 3.733 2.641) 4.574 3.045 ( -5.962 -1.222 0.637) 6.119 3.161 ( 0.805 -1.383 2.281) 2.786 3.439 ( -4.576 3.011 6.779) 8.715 3.573 ( -1.175 -3.484 7.368) 8.235 3.833 ( -1.690 -1.425 30.177) 30.258 4.025 ( 4.767 3.449 13.748) 14.954 4.935 ( 4.366 3.478 -2.322) 6.046 5.060 ( -1.100 5.623 1.469) 5.915 5.207 ( -0.166 -2.693 -0.334) 2.719 6.121 ( 2.686 10.856 -7.305) 13.358 7.059 ( -4.152 -11.888 -11.792) 17.251 7.665 ( -0.463 1.445 -24.377) 24.424 8.005 ( -7.401 4.215 20.104) 21.834 9.264 ( 1.124 -7.691 -2.647) 8.211 12.006 ( 2.349 -0.030 19.703) 19.842 12.031 ( 0.577 0.121 36.881) 36.885 14.054 ( 0.976 -2.655 11.456) 11.800 15.497 ( -3.868 10.474 -6.056) 12.702 15.574 ( -6.933 17.115 1.821) 18.555 15.953 ( -1.122 -0.401 3.255) 3.466 16.363 ( 2.553 1.032 -3.744) 4.647 16.982 ( -4.877 -6.766 -6.876) 10.809 19.293 ( -2.817 -12.284 0.312) 12.607 19.667 ( 1.922 -0.363 -3.723) 4.205 ======================= Grid point 150 (50/105) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.229 -0.913 1.103) 7.370 1.348 ( 2.551 4.720 -6.189) 8.191 1.534 ( -2.901 -6.040 9.871) 11.930 1.744 ( 11.277 -6.205 -4.117) 13.513 1.975 ( -0.134 -1.044 -4.541) 4.662 2.067 ( -3.215 -2.039 2.825) 4.741 2.263 ( -3.469 4.335 -1.933) 5.879 2.358 ( -3.308 1.615 0.831) 3.774 2.600 ( -0.523 1.261 3.026) 3.320 2.691 ( 1.789 -3.924 6.520) 7.817 2.782 ( -2.521 -2.773 1.644) 4.092 2.923 ( 2.496 0.948 3.240) 4.198 3.031 ( 0.768 -0.309 -0.006) 0.828 3.169 ( -0.354 1.357 2.745) 3.082 3.316 ( -6.156 2.745 2.208) 7.093 3.589 ( -0.090 0.816 7.211) 7.258 3.831 ( -3.754 -2.322 24.722) 25.112 3.997 ( 2.038 3.249 19.243) 19.622 4.842 ( -1.308 9.193 3.021) 9.765 4.976 ( 2.583 5.555 -1.602) 6.332 5.240 ( 0.243 -1.013 -1.265) 1.639 5.967 ( 0.487 7.891 -1.796) 8.108 7.234 ( -1.900 -11.559 -10.383) 15.653 7.641 ( -0.280 0.734 -23.873) 23.886 7.895 ( -4.262 1.327 18.000) 18.545 9.391 ( 0.458 -6.291 -3.818) 7.373 12.024 ( 0.383 0.276 28.721) 28.725 12.037 ( 1.607 0.262 28.760) 28.806 14.112 ( -0.375 -3.679 25.423) 25.691 15.046 ( -2.565 20.921 1.213) 21.112 15.540 ( 0.622 0.087 -14.956) 14.970 15.950 ( -0.564 -0.311 3.260) 3.323 16.373 ( 1.815 0.829 -3.315) 3.869 17.011 ( -4.023 -3.498 -9.191) 10.625 19.439 ( -5.104 -10.123 -1.194) 11.400 19.704 ( 2.876 -0.691 -3.823) 4.834 ======================= Grid point 151 (51/105) ======================= q-point: ( 0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 1.939 -1.513 -3.373) 4.175 1.277 ( 1.301 5.105 -5.191) 7.396 1.622 ( -1.874 -6.700 -2.455) 7.378 1.850 ( -6.621 4.386 1.166) 8.027 1.942 ( 3.546 -5.245 -0.093) 6.332 2.020 ( -5.391 0.107 -1.540) 5.608 2.266 ( -0.144 -3.189 -5.013) 5.943 2.341 ( -0.115 -1.385 -1.367) 1.950 2.567 ( -1.651 0.975 0.997) 2.162 2.721 ( -2.459 3.820 2.171) 5.035 2.801 ( 7.352 2.960 -0.903) 7.976 2.980 ( 1.796 -2.135 5.969) 6.589 3.059 ( 2.460 -0.903 -1.377) 2.960 3.109 ( 1.443 2.192 2.410) 3.563 3.279 ( -3.575 -3.745 6.518) 8.324 3.560 ( 2.526 3.126 10.770) 11.495 3.845 ( -3.772 -4.842 15.122) 16.320 3.984 ( 0.883 0.225 21.574) 21.593 4.656 ( -1.876 8.769 9.663) 13.183 4.912 ( 1.519 4.885 -3.782) 6.362 5.249 ( 0.171 -0.040 -1.283) 1.295 5.883 ( -0.056 2.844 2.598) 3.852 7.375 ( -0.765 -6.610 -8.462) 10.765 7.631 ( -0.373 0.217 -25.147) 25.151 7.844 ( -3.988 -0.636 16.631) 17.115 9.493 ( 2.374 -3.999 -4.765) 6.658 12.015 ( -0.643 0.360 31.629) 31.638 12.048 ( 1.351 0.701 26.193) 26.237 14.170 ( -1.035 -4.459 38.798) 39.067 14.750 ( -0.457 13.354 -11.420) 17.577 15.542 ( 0.189 0.273 -15.081) 15.085 15.951 ( -0.221 -0.347 3.392) 3.417 16.376 ( 0.952 0.815 -3.059) 3.306 17.027 ( -1.634 -2.705 -10.121) 10.603 19.519 ( -4.614 -6.474 -1.168) 8.035 19.756 ( 4.079 -0.634 -4.573) 6.160 ======================= Grid point 152 (52/105) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -6.909 5.905 -5.753) 10.757 1.250 ( 2.938 2.766 -4.453) 6.009 1.562 ( -9.977 5.659 1.001) 11.514 1.833 ( 2.346 -3.998 -4.055) 6.159 1.978 ( -1.009 -2.688 -8.760) 9.219 2.085 ( 1.744 -4.472 1.702) 5.093 2.250 ( -2.438 0.963 -3.059) 4.029 2.408 ( -2.515 -4.018 -3.819) 6.087 2.467 ( -4.534 2.517 0.264) 5.192 2.611 ( -0.276 3.921 1.422) 4.180 2.834 ( 5.008 3.137 5.791) 8.274 3.000 ( 2.018 0.961 0.829) 2.384 3.113 ( 3.874 0.329 9.409) 10.180 3.168 ( 4.287 -2.793 -2.661) 5.767 3.290 ( -4.898 -3.116 5.694) 8.132 3.573 ( 6.522 1.206 12.243) 13.924 3.872 ( -3.776 -2.453 9.739) 10.729 4.003 ( 1.274 -0.025 19.644) 19.686 4.583 ( -0.313 -3.587 14.342) 14.787 4.854 ( -0.335 2.625 -4.874) 5.546 5.250 ( 0.230 0.204 -0.215) 0.375 5.855 ( -0.424 0.377 3.934) 3.975 7.433 ( 0.155 -0.801 -8.568) 8.606 7.622 ( -0.859 0.134 -23.969) 23.985 7.820 ( -3.705 -2.084 15.913) 16.472 9.578 ( 4.288 -1.223 -6.675) 8.027 11.999 ( -0.985 0.492 28.760) 28.781 12.044 ( 0.556 0.959 28.698) 28.720 14.251 ( 1.229 -5.227 44.459) 44.782 14.559 ( -3.683 6.448 -14.947) 16.690 15.535 ( -0.228 0.517 -15.130) 15.141 15.956 ( 0.049 -0.369 3.556) 3.575 16.369 ( 0.314 0.812 -2.900) 3.028 17.068 ( 0.530 -2.900 -10.328) 10.741 19.560 ( -2.954 -3.854 -1.303) 5.028 19.812 ( 4.871 0.628 -6.342) 8.021 ======================= Grid point 153 (53/105) ======================= q-point: (-0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -6.261 6.760 -3.038) 9.702 1.196 ( -1.085 8.541 -4.792) 9.854 1.320 ( -7.411 4.909 -2.393) 9.206 1.889 ( 6.968 3.536 -0.933) 7.870 2.033 ( -1.982 -0.164 -7.753) 8.004 2.125 ( -0.549 -1.031 -1.100) 1.605 2.191 ( -3.440 0.323 -2.596) 4.322 2.381 ( -1.982 -5.578 2.731) 6.519 2.569 ( 1.685 -7.069 0.219) 7.270 2.612 ( 0.303 -4.532 0.148) 4.544 2.755 ( -1.098 7.183 11.416) 13.533 2.975 ( 1.583 5.757 2.571) 6.501 3.177 ( 5.022 -2.025 5.596) 7.787 3.225 ( 1.253 0.049 1.391) 1.872 3.293 ( -4.682 -4.425 2.841) 7.041 3.665 ( 8.347 -0.686 8.648) 12.038 3.838 ( -5.605 -0.739 14.742) 15.789 4.007 ( 1.580 1.111 19.626) 19.721 4.746 ( 1.135 -12.409 10.028) 15.995 4.821 ( -1.325 -0.076 -4.703) 4.887 5.247 ( 0.197 0.488 0.799) 0.957 5.861 ( -0.523 -2.087 2.346) 3.183 7.410 ( 1.062 4.365 -11.839) 12.663 7.604 ( -1.598 -0.217 -17.787) 17.860 7.842 ( -1.729 -4.601 14.283) 15.105 9.614 ( 3.769 3.323 -9.478) 10.727 11.978 ( -0.840 0.642 24.714) 24.736 12.031 ( -0.013 0.905 31.958) 31.971 14.279 ( 3.132 8.582 -1.021) 9.192 14.568 ( -5.420 -18.809 34.720) 39.857 15.522 ( -0.304 0.551 -15.196) 15.209 15.963 ( 0.144 -0.342 3.724) 3.742 16.358 ( 0.089 0.714 -2.780) 2.871 17.128 ( 1.312 -2.581 -10.084) 10.492 19.583 ( -1.205 -1.800 -2.053) 2.984 19.829 ( 3.955 4.278 -9.213) 10.901 ======================= Grid point 154 (54/105) ======================= q-point: (-0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -0.000 9.941 2.556) 10.265 0.960 ( -0.000 10.886 3.433) 11.414 1.326 ( 0.000 -6.072 -8.568) 10.501 1.864 ( -0.000 11.165 10.536) 15.351 1.895 ( -0.000 6.514 -6.967) 9.537 2.168 ( -0.000 0.567 -3.387) 3.434 2.195 ( 0.000 -7.791 0.064) 7.791 2.514 ( 0.000 -9.874 5.393) 11.251 2.589 ( -0.000 3.051 8.923) 9.430 2.736 ( 0.000 -3.062 -0.988) 3.217 2.750 ( 0.000 -10.131 1.934) 10.313 2.879 ( -0.000 4.394 0.636) 4.440 3.199 ( -0.000 3.050 2.485) 3.935 3.272 ( 0.000 -2.748 6.100) 6.690 3.325 ( 0.000 -3.983 3.188) 5.102 3.724 ( -0.000 1.547 5.310) 5.531 3.814 ( 0.000 -1.788 25.395) 25.458 3.987 ( -0.000 3.203 17.876) 18.161 4.816 ( 0.000 -0.782 -4.113) 4.187 4.961 ( 0.000 -10.500 5.332) 11.776 5.237 ( -0.000 0.891 1.005) 1.343 5.922 ( 0.000 -5.699 -1.259) 5.837 7.306 ( -0.000 8.646 -13.515) 16.044 7.619 ( 0.000 -2.802 -18.306) 18.519 7.945 ( 0.000 -9.403 16.556) 19.040 9.526 ( -0.000 10.430 -10.850) 15.050 11.962 ( -0.000 0.500 21.195) 21.201 12.017 ( -0.000 0.695 34.754) 34.761 14.139 ( -0.000 8.128 -12.554) 14.955 15.015 ( 0.000 -37.066 46.861) 59.748 15.512 ( -0.000 0.390 -15.286) 15.291 15.970 ( 0.000 -0.419 3.974) 3.996 16.349 ( -0.000 0.461 -2.589) 2.629 17.166 ( 0.000 -0.259 -9.720) 9.723 19.583 ( -0.000 2.146 -4.294) 4.800 19.731 ( -0.000 10.016 -10.197) 14.293 ======================= Grid point 157 (55/105) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 10.574 -0.000 13.768) 17.360 1.217 ( -3.713 0.000 9.735) 10.419 1.531 ( -4.242 0.000 -4.532) 6.207 1.587 ( 15.784 -0.000 -2.269) 15.947 1.873 ( 5.962 -0.000 7.796) 9.814 2.118 ( -1.089 0.000 -3.993) 4.139 2.304 ( 2.520 -0.000 13.827) 14.054 2.485 ( -7.217 0.000 2.157) 7.533 2.535 ( -2.459 0.000 -6.900) 7.325 2.655 ( -12.520 0.000 2.988) 12.872 2.697 ( -2.754 0.000 0.721) 2.847 2.957 ( -1.631 0.000 3.576) 3.931 3.028 ( 1.798 -0.000 -1.822) 2.560 3.160 ( 1.187 -0.000 2.265) 2.557 3.435 ( -3.214 0.000 -0.124) 3.216 3.507 ( -1.881 0.000 19.467) 19.557 3.800 ( -2.190 0.000 33.545) 33.617 4.110 ( 2.648 -0.000 9.516) 9.878 5.032 ( 5.597 -0.000 -2.626) 6.182 5.132 ( -0.762 0.000 0.952) 1.219 5.136 ( -0.922 0.000 -1.904) 2.116 6.288 ( 3.501 -0.000 -11.011) 11.555 6.855 ( -6.782 0.000 -10.887) 12.826 7.670 ( -0.849 0.000 -25.473) 25.487 7.935 ( -8.339 0.000 24.344) 25.732 9.240 ( 4.280 -0.000 -1.656) 4.589 12.036 ( 2.594 -0.000 20.461) 20.625 12.036 ( 0.162 -0.000 37.043) 37.044 14.050 ( 1.598 -0.000 20.466) 20.528 15.529 ( 0.655 -0.000 -15.102) 15.116 15.585 ( -19.441 0.000 -0.408) 19.445 15.937 ( -0.329 0.000 3.010) 3.028 16.426 ( 3.699 -0.000 -6.268) 7.278 16.865 ( -2.517 0.000 -4.154) 4.857 19.181 ( 0.689 -0.000 3.709) 3.773 19.687 ( 2.106 -0.000 -4.111) 4.619 ======================= Grid point 158 (56/105) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 4.329 5.916 7.887) 10.768 1.375 ( 1.830 -5.235 6.508) 8.550 1.443 ( -3.609 1.896 3.075) 5.106 1.716 ( 0.467 -4.964 -1.062) 5.098 1.982 ( 4.424 -1.127 2.959) 5.440 2.084 ( 2.147 3.240 -1.220) 4.074 2.284 ( -11.646 5.700 2.799) 13.265 2.361 ( 2.596 1.085 -0.794) 2.923 2.548 ( -3.118 -4.204 1.070) 5.342 2.628 ( 3.886 -5.105 4.476) 7.823 2.698 ( -2.189 -3.548 0.056) 4.169 2.944 ( 0.857 0.482 3.810) 3.935 3.052 ( 2.140 0.009 -4.051) 4.582 3.181 ( 0.566 -0.970 2.389) 2.639 3.344 ( -2.292 5.829 2.764) 6.846 3.522 ( -3.604 -3.949 12.033) 13.167 3.776 ( -2.753 -0.248 32.384) 32.502 4.085 ( 0.059 3.853 14.655) 15.153 4.986 ( -0.219 8.688 -0.247) 8.694 5.083 ( 3.106 3.009 -2.152) 4.830 5.205 ( -0.090 -3.443 -2.026) 3.996 6.157 ( 0.478 13.424 -7.173) 15.228 6.962 ( -4.002 -15.765 -11.798) 20.094 7.650 ( -0.704 0.945 -24.268) 24.297 7.850 ( -5.129 0.446 23.650) 24.204 9.324 ( 3.270 -4.090 -2.562) 5.830 12.032 ( -0.145 0.443 35.761) 35.764 12.064 ( 2.114 0.180 22.649) 22.748 14.077 ( 0.985 -1.173 29.979) 30.018 15.263 ( -10.603 12.845 -7.219) 18.153 15.543 ( 0.206 -0.387 -15.007) 15.013 15.937 ( -0.402 -0.374 3.093) 3.142 16.435 ( 3.000 2.761 -5.248) 6.645 16.889 ( -3.009 -4.931 -6.914) 9.010 19.251 ( -0.924 -6.837 2.694) 7.407 19.719 ( 2.263 -0.891 -4.321) 4.958 ======================= Grid point 159 (57/105) ======================= q-point: ( 0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 2.584 0.830 3.424) 4.369 1.349 ( -1.476 2.436 -1.354) 3.154 1.481 ( -1.472 -5.530 0.458) 5.741 1.802 ( -0.665 -3.808 2.868) 4.814 1.899 ( -9.686 4.647 2.085) 10.944 2.018 ( 1.362 1.715 -4.106) 4.654 2.229 ( 1.201 -1.160 -1.152) 2.029 2.340 ( -1.156 1.399 -1.190) 2.170 2.544 ( -3.109 -1.707 3.189) 4.769 2.714 ( -1.688 -1.402 0.976) 2.401 2.874 ( 10.883 -5.981 -0.114) 12.419 2.972 ( 2.093 -1.685 6.005) 6.579 3.077 ( 2.393 -0.193 -4.653) 5.236 3.193 ( -0.430 2.811 1.050) 3.032 3.224 ( 0.383 2.708 4.192) 5.005 3.547 ( -3.528 -4.668 5.826) 8.257 3.742 ( -3.409 -0.527 28.520) 28.728 4.022 ( 0.024 2.920 22.219) 22.410 4.811 ( -1.009 10.836 3.346) 11.386 5.034 ( 1.951 6.402 -4.231) 7.918 5.241 ( -0.085 -1.216 -1.858) 2.222 5.969 ( -0.139 8.084 -1.269) 8.184 7.183 ( -2.305 -13.754 -12.432) 18.683 7.630 ( -0.499 0.492 -23.233) 23.243 7.796 ( -3.286 0.348 21.660) 21.911 9.441 ( 2.696 -5.426 -3.852) 7.180 12.019 ( -0.345 0.678 34.373) 34.381 12.076 ( 1.296 0.732 24.345) 24.390 14.108 ( -0.040 -1.956 38.075) 38.125 14.961 ( -3.720 13.163 -13.508) 19.224 15.548 ( 0.136 0.100 -15.192) 15.193 15.940 ( -0.236 -0.480 3.277) 3.321 16.418 ( 1.622 2.405 -4.193) 5.099 16.940 ( -1.923 -4.660 -8.883) 10.214 19.356 ( -2.129 -7.394 1.573) 7.853 19.770 ( 2.417 -1.907 -4.834) 5.731 ======================= Grid point 160 (58/105) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -3.088 6.821 -1.376) 7.613 1.328 ( 2.413 0.958 -1.533) 3.015 1.523 ( -4.649 -0.516 -4.827) 6.722 1.772 ( -0.709 -2.240 2.582) 3.491 1.858 ( -3.077 -5.347 -1.437) 6.334 2.078 ( 5.742 -1.743 -1.310) 6.142 2.226 ( -4.651 -1.653 -5.987) 7.760 2.310 ( -1.952 -0.359 -1.891) 2.741 2.514 ( -1.038 3.750 0.941) 4.003 2.675 ( -1.205 3.505 -0.166) 3.710 2.969 ( 3.433 4.211 3.306) 6.361 3.021 ( 4.440 -1.078 2.223) 5.081 3.121 ( -1.126 -1.094 4.443) 4.712 3.173 ( 2.801 -2.207 -2.760) 4.509 3.228 ( -0.082 0.126 4.877) 4.879 3.624 ( 3.549 -4.038 9.854) 11.225 3.740 ( -5.123 -5.349 15.575) 17.246 4.000 ( 0.366 -0.211 24.431) 24.435 4.626 ( -0.656 8.587 9.362) 12.720 4.933 ( 0.329 6.388 -6.020) 8.784 5.253 ( 0.111 -0.257 -0.401) 0.489 5.879 ( -0.160 3.057 2.782) 4.136 7.352 ( -0.862 -8.327 -13.058) 15.511 7.620 ( -0.443 0.383 -22.638) 22.646 7.763 ( -2.005 -0.291 20.806) 20.904 9.560 ( 2.157 -5.047 -5.744) 7.945 12.002 ( -0.348 0.810 32.066) 32.078 12.070 ( 0.480 1.200 26.243) 26.275 14.155 ( -0.289 -4.455 42.743) 42.975 14.720 ( -1.177 12.632 -16.121) 20.514 15.543 ( -0.036 0.547 -15.236) 15.246 15.948 ( -0.053 -0.557 3.495) 3.540 16.395 ( 0.496 1.729 -3.553) 3.983 17.004 ( -0.412 -4.481 -9.752) 10.741 19.447 ( -1.503 -6.055 0.637) 6.271 19.834 ( 1.982 -2.254 -6.021) 6.727 ======================= Grid point 161 (59/105) ======================= q-point: (-0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.000 7.664 -4.274) 8.776 1.317 ( -0.000 3.144 -0.908) 3.272 1.398 ( -0.000 9.498 -4.067) 10.332 1.882 ( 0.000 -7.770 1.478) 7.910 1.957 ( 0.000 -6.928 -11.376) 13.320 2.146 ( 0.000 -1.551 0.623) 1.672 2.185 ( -0.000 4.776 -5.080) 6.973 2.299 ( 0.000 -1.320 -0.525) 1.420 2.473 ( 0.000 -3.132 -1.404) 3.432 2.602 ( -0.000 3.265 -0.555) 3.312 2.895 ( -0.000 7.125 7.308) 10.206 3.056 ( -0.000 1.919 9.850) 10.035 3.155 ( 0.000 -4.710 0.294) 4.719 3.216 ( -0.000 0.328 5.636) 5.646 3.224 ( 0.000 -1.415 -1.745) 2.247 3.721 ( 0.000 -2.697 25.085) 25.229 3.761 ( 0.000 -1.306 -4.038) 4.244 4.022 ( 0.000 -0.708 20.246) 20.258 4.579 ( 0.000 -4.999 14.075) 14.936 4.848 ( -0.000 3.580 -6.216) 7.173 5.254 ( -0.000 0.171 0.696) 0.717 5.848 ( -0.000 0.602 3.981) 4.026 7.437 ( 0.000 -2.064 -14.023) 14.174 7.603 ( -0.000 1.027 -17.453) 17.483 7.771 ( 0.000 -2.375 16.326) 16.498 9.641 ( 0.000 -2.308 -8.106) 8.429 11.986 ( -0.000 0.840 28.719) 28.731 12.051 ( -0.000 1.277 28.756) 28.785 14.274 ( 0.000 -10.552 45.295) 46.508 14.500 ( -0.000 12.545 -15.032) 19.579 15.531 ( -0.000 0.713 -15.219) 15.236 15.957 ( 0.000 -0.508 3.664) 3.699 16.374 ( -0.000 1.092 -3.081) 3.269 17.076 ( 0.000 -4.081 -10.104) 10.897 19.525 ( 0.000 -4.139 -0.534) 4.173 19.875 ( 0.000 -0.678 -7.870) 7.899 ======================= Grid point 166 (60/105) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.477 0.000 12.155) 12.405 1.354 ( -2.104 0.000 4.978) 5.404 1.469 ( 6.891 -0.000 6.790) 9.674 1.640 ( -2.745 0.000 1.404) 3.083 2.008 ( -4.607 0.000 3.818) 5.983 2.125 ( 1.868 -0.000 -6.596) 6.855 2.210 ( -4.673 0.000 11.873) 12.760 2.417 ( -0.264 0.000 1.584) 1.606 2.424 ( -7.419 0.000 -3.348) 8.139 2.630 ( -2.191 0.000 -1.971) 2.947 2.707 ( 16.276 -0.000 0.351) 16.279 2.961 ( 0.823 -0.000 3.475) 3.571 3.078 ( 2.327 -0.000 -5.000) 5.515 3.171 ( -0.275 0.000 1.166) 1.198 3.398 ( -0.274 0.000 0.685) 0.738 3.421 ( -5.724 0.000 13.873) 15.008 3.748 ( -1.774 0.000 34.283) 34.329 4.099 ( -2.690 0.000 18.159) 18.357 5.103 ( -0.115 0.000 -0.195) 0.226 5.123 ( -0.261 0.000 -3.927) 3.935 5.153 ( 2.921 -0.000 -3.115) 4.271 6.335 ( 0.781 -0.000 -10.757) 10.785 6.719 ( -4.388 0.000 -9.553) 10.513 7.651 ( -0.637 0.000 -25.548) 25.555 7.804 ( -3.202 0.000 26.767) 26.957 9.327 ( 2.898 -0.000 -2.402) 3.764 12.033 ( -0.256 0.000 37.070) 37.071 12.088 ( 1.674 -0.000 22.235) 22.298 14.083 ( 1.158 -0.000 35.922) 35.941 15.237 ( -10.221 0.000 -14.074) 17.394 15.540 ( 0.302 -0.000 -15.054) 15.057 15.931 ( -0.209 0.000 3.070) 3.077 16.498 ( 2.234 -0.000 -6.924) 7.275 16.815 ( -1.596 0.000 -5.755) 5.972 19.196 ( 0.549 -0.000 3.903) 3.941 19.733 ( 1.590 -0.000 -4.501) 4.774 ======================= Grid point 167 (61/105) ======================= q-point: ( 0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.418 0.602 10.859) 10.883 1.321 ( -3.086 -1.129 4.319) 5.427 1.463 ( 1.549 3.852 3.889) 5.689 1.736 ( 2.492 -6.774 0.915) 7.276 1.875 ( -7.355 4.340 1.317) 8.641 2.076 ( 0.845 4.316 -2.886) 5.260 2.241 ( 0.874 0.475 2.420) 2.616 2.363 ( -0.543 1.823 0.094) 1.904 2.413 ( -5.085 -6.755 6.435) 10.626 2.652 ( -0.989 -3.498 -1.967) 4.133 2.924 ( 10.400 -2.769 -0.034) 10.763 2.979 ( 3.678 -1.103 1.738) 4.215 3.102 ( 2.008 -0.057 -4.493) 4.921 3.176 ( -0.676 -1.038 0.726) 1.436 3.326 ( -0.787 3.867 2.995) 4.954 3.401 ( -5.613 -2.796 5.378) 8.261 3.726 ( -1.212 0.844 32.998) 33.031 4.053 ( -1.646 1.631 24.367) 24.477 4.976 ( -0.309 9.291 -0.379) 9.304 5.146 ( 1.745 3.731 -4.074) 5.794 5.200 ( -0.347 -3.507 -2.828) 4.518 6.157 ( -0.164 14.007 -6.399) 15.400 6.889 ( -1.837 -17.184 -11.601) 20.815 7.637 ( -0.325 0.800 -23.763) 23.779 7.776 ( -1.448 0.282 24.889) 24.932 9.386 ( 1.552 -3.678 -2.973) 4.978 12.027 ( -0.182 0.479 36.381) 36.384 12.099 ( 0.822 0.463 23.235) 23.254 14.095 ( 0.456 -0.249 40.585) 40.588 15.084 ( -4.155 7.121 -18.030) 19.825 15.547 ( 0.070 -0.307 -15.184) 15.188 15.931 ( -0.115 -0.310 3.153) 3.170 16.485 ( 1.142 3.163 -5.901) 6.792 16.843 ( -0.965 -4.321 -7.284) 8.524 19.241 ( -0.134 -4.483 3.420) 5.640 19.760 ( 0.991 -1.436 -4.731) 5.042 ======================= Grid point 168 (62/105) ======================= q-point: (-0.38 -0.62 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 2.655 5.946) 6.512 1.327 ( 0.000 -1.332 2.205) 2.576 1.461 ( 0.000 -2.687 -4.022) 4.837 1.757 ( -0.000 2.812 4.908) 5.657 1.811 ( 0.000 -0.552 -0.656) 0.857 2.081 ( 0.000 -3.531 -6.834) 7.693 2.189 ( -0.000 3.450 0.771) 3.536 2.319 ( -0.000 1.896 -2.040) 2.785 2.511 ( 0.000 -4.235 7.902) 8.965 2.688 ( 0.000 -0.950 -1.077) 1.437 2.981 ( 0.000 -1.601 5.866) 6.081 3.051 ( 0.000 -1.218 -3.128) 3.357 3.152 ( 0.000 -2.570 -4.643) 5.307 3.159 ( -0.000 3.906 0.767) 3.981 3.254 ( -0.000 3.309 3.652) 4.928 3.470 ( 0.000 -10.668 1.729) 10.807 3.697 ( -0.000 1.172 30.827) 30.849 4.016 ( -0.000 1.640 26.709) 26.759 4.799 ( -0.000 11.176 3.197) 11.624 5.057 ( -0.000 7.321 -5.805) 9.343 5.239 ( 0.000 -1.488 -1.498) 2.112 5.967 ( -0.000 8.041 -1.036) 8.107 7.151 ( 0.000 -14.412 -13.176) 19.527 7.624 ( -0.000 0.510 -22.044) 22.050 7.758 ( -0.000 0.688 22.403) 22.414 9.477 ( 0.000 -5.728 -4.196) 7.100 12.015 ( -0.000 0.784 34.658) 34.667 12.092 ( -0.000 0.969 24.535) 24.554 14.108 ( 0.000 -1.320 42.217) 42.238 14.912 ( -0.000 10.719 -18.168) 21.094 15.549 ( -0.000 0.139 -15.296) 15.296 15.938 ( 0.000 -0.521 3.331) 3.372 16.438 ( -0.000 2.936 -4.597) 5.455 16.919 ( 0.000 -5.056 -8.728) 10.087 19.333 ( 0.000 -6.336 2.287) 6.736 19.801 ( 0.000 -2.555 -5.263) 5.850 ======================= Grid point 177 (63/105) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 -0.000 13.398) 13.398 1.287 ( 0.000 -0.000 6.080) 6.080 1.604 ( 0.000 -0.000 5.068) 5.068 1.605 ( 0.000 -0.000 2.395) 2.395 1.869 ( 0.000 -0.000 0.656) 0.656 2.195 ( 0.000 -0.000 -6.130) 6.130 2.213 ( 0.000 -0.000 15.088) 15.088 2.263 ( 0.000 -0.000 -1.710) 1.710 2.400 ( 0.000 -0.000 1.136) 1.136 2.607 ( 0.000 -0.000 -3.592) 3.592 2.960 ( -0.000 0.000 3.558) 3.558 3.021 ( 0.000 -0.000 -2.936) 2.936 3.115 ( 0.000 -0.000 -4.124) 4.124 3.159 ( -0.000 0.000 -0.333) 0.333 3.283 ( 0.000 -0.000 7.757) 7.757 3.399 ( 0.000 -0.000 0.656) 0.656 3.728 ( 0.000 -0.000 33.935) 33.935 4.052 ( 0.000 -0.000 26.477) 26.477 5.098 ( 0.000 -0.000 -0.072) 0.072 5.120 ( 0.000 -0.000 -4.791) 4.791 5.191 ( 0.000 -0.000 -4.053) 4.053 6.341 ( 0.000 -0.000 -10.291) 10.291 6.666 ( 0.000 -0.000 -8.992) 8.992 7.644 ( 0.000 -0.000 -25.573) 25.573 7.769 ( 0.000 -0.000 27.263) 27.263 9.363 ( 0.000 -0.000 -2.619) 2.619 12.030 ( 0.000 -0.000 37.064) 37.064 12.108 ( 0.000 -0.000 22.923) 22.923 14.098 ( -0.000 0.000 42.071) 42.071 15.116 ( 0.000 -0.000 -20.177) 20.177 15.544 ( 0.000 -0.000 -15.076) 15.076 15.928 ( 0.000 -0.000 3.092) 3.092 16.525 ( 0.000 -0.000 -6.942) 6.942 16.796 ( 0.000 -0.000 -6.357) 6.357 19.203 ( 0.000 -0.000 3.983) 3.983 19.752 ( 0.000 -0.000 -4.650) 4.650 ======================= Grid point 207 (64/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 0.000 10.036) 10.036 1.259 ( 0.000 0.000 -16.369) 16.369 1.301 ( 0.000 0.000 18.939) 18.939 1.627 ( 0.000 0.000 2.009) 2.009 1.681 ( 0.000 0.000 6.139) 6.139 2.062 ( 0.000 0.000 -6.413) 6.413 2.428 ( 0.000 0.000 -7.174) 7.174 2.495 ( 0.000 0.000 -6.602) 6.602 2.869 ( 0.000 0.000 5.124) 5.124 2.892 ( 0.000 0.000 1.642) 1.642 2.904 ( 0.000 0.000 3.832) 3.832 2.986 ( 0.000 0.000 2.475) 2.475 3.149 ( 0.000 0.000 3.353) 3.353 3.367 ( 0.000 0.000 -2.903) 2.903 3.435 ( 0.000 0.000 3.093) 3.093 3.590 ( 0.000 0.000 -0.939) 0.939 4.401 ( 0.000 0.000 26.323) 26.323 4.653 ( 0.000 0.000 43.750) 43.750 4.804 ( 0.000 0.000 -0.232) 0.232 5.197 ( 0.000 0.000 1.201) 1.201 5.207 ( 0.000 0.000 4.268) 4.268 6.016 ( 0.000 0.000 -1.638) 1.638 6.774 ( 0.000 0.000 -17.640) 17.640 7.131 ( 0.000 0.000 -32.901) 32.901 8.552 ( 0.000 0.000 11.166) 11.166 9.067 ( 0.000 0.000 -4.290) 4.290 12.337 ( 0.000 0.000 21.578) 21.578 12.765 ( 0.000 0.000 37.588) 37.588 13.763 ( 0.000 0.000 -10.239) 10.239 15.123 ( 0.000 0.000 -24.527) 24.527 16.012 ( 0.000 0.000 3.767) 3.767 16.235 ( 0.000 0.000 -3.153) 3.153 16.588 ( 0.000 0.000 6.780) 6.780 16.901 ( 0.000 0.000 -3.057) 3.057 19.241 ( 0.000 0.000 4.724) 4.724 19.548 ( 0.000 0.000 -4.932) 4.932 ======================= Grid point 208 (65/105) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 15.922 -2.056 5.547) 16.985 1.199 ( 1.231 7.472 13.025) 15.067 1.246 ( 3.397 4.089 -9.105) 10.543 1.659 ( -2.296 -6.280 1.441) 6.840 1.808 ( 3.138 -6.957 1.008) 7.698 2.077 ( 1.292 -0.781 -5.617) 5.817 2.338 ( -1.691 5.781 -3.012) 6.734 2.597 ( -0.967 -7.786 -6.002) 9.878 2.713 ( -5.481 7.707 4.967) 10.682 2.796 ( -0.789 8.752 2.900) 9.254 2.881 ( -0.970 2.886 2.410) 3.883 2.953 ( 3.348 6.921 1.186) 7.779 3.197 ( 0.005 -3.591 3.112) 4.752 3.305 ( -7.887 0.360 1.189) 7.984 3.450 ( 4.132 1.992 0.420) 4.606 3.616 ( -4.101 -3.662 -2.735) 6.141 4.375 ( 1.066 3.581 24.258) 24.544 4.651 ( 0.195 0.560 42.013) 42.017 4.809 ( 2.990 1.756 -0.248) 3.476 5.154 ( -1.084 3.131 5.089) 6.073 5.228 ( -0.718 -1.407 1.226) 2.000 5.994 ( 1.089 2.535 0.984) 2.929 6.842 ( -1.572 -8.359 -17.851) 19.773 7.118 ( -0.130 1.314 -32.743) 32.769 8.454 ( -1.781 7.359 15.593) 17.334 9.161 ( -0.264 -8.419 -7.643) 11.374 12.355 ( 1.783 -0.781 22.040) 22.126 12.767 ( 0.132 -0.084 37.397) 37.397 13.826 ( 5.405 -3.467 -10.262) 12.106 15.129 ( 0.530 -0.266 -24.341) 24.348 15.988 ( -0.463 4.666 6.182) 7.758 16.188 ( -1.782 10.251 7.067) 12.577 16.334 ( -5.338 9.947 5.864) 12.721 16.942 ( -3.156 -2.587 -7.976) 8.959 19.342 ( -0.562 -10.083 1.150) 10.164 19.561 ( 0.451 -1.143 -4.488) 4.653 ======================= Grid point 209 (66/105) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 9.182 3.110 3.939) 10.464 1.152 ( 4.626 3.854 1.547) 6.216 1.305 ( 11.898 -3.321 -3.699) 12.895 1.742 ( -2.275 -5.194 -0.510) 5.693 1.885 ( 0.548 0.988 -5.412) 5.528 2.103 ( 1.098 0.828 -4.229) 4.447 2.238 ( -1.233 1.668 3.595) 4.151 2.553 ( -3.948 5.077 3.007) 7.099 2.586 ( -3.155 4.790 -3.438) 6.687 2.762 ( 1.621 0.781 1.067) 2.092 2.813 ( -1.039 -0.855 -1.427) 1.961 2.870 ( 2.936 6.421 -0.149) 7.062 3.205 ( -6.598 -1.711 4.201) 8.007 3.250 ( -1.352 -1.175 2.550) 3.116 3.426 ( 0.241 3.823 -0.076) 3.831 3.592 ( -5.247 -0.563 -3.483) 6.323 4.319 ( 1.199 4.321 20.725) 21.204 4.634 ( -0.256 1.402 36.740) 36.768 4.810 ( 3.977 2.823 1.750) 5.182 5.059 ( -2.156 5.923 8.558) 10.629 5.233 ( -1.142 -0.460 -0.494) 1.327 5.981 ( 0.944 0.153 6.909) 6.974 6.984 ( -0.928 -9.319 -18.524) 20.757 7.094 ( -0.001 1.167 -32.379) 32.400 8.332 ( -0.661 4.820 20.459) 21.030 9.279 ( -1.915 -6.641 -10.742) 12.774 12.398 ( 2.532 -1.114 23.120) 23.285 12.770 ( 0.073 -0.065 37.129) 37.129 13.987 ( 8.157 -5.646 -10.743) 14.623 15.142 ( 0.692 -0.346 -23.729) 23.742 15.660 ( -6.950 22.337 29.763) 37.856 16.050 ( -1.399 0.811 5.579) 5.808 16.284 ( -0.077 -0.411 -3.825) 3.848 16.903 ( -4.269 1.156 -12.451) 13.213 19.490 ( -1.833 -8.026 -1.950) 8.461 19.594 ( 0.279 -2.058 -3.803) 4.333 ======================= Grid point 210 (67/105) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 5.852 -1.900 0.795) 6.204 1.137 ( 2.168 2.637 -4.004) 5.261 1.533 ( 9.197 -3.716 -7.875) 12.665 1.750 ( -0.396 1.221 -7.483) 7.592 1.847 ( 0.029 0.507 2.075) 2.136 2.073 ( -0.846 2.275 -3.731) 4.451 2.244 ( -0.800 -1.431 -0.683) 1.776 2.438 ( -1.926 3.678 1.421) 4.388 2.521 ( 0.577 1.170 -3.108) 3.371 2.683 ( 3.467 6.650 1.645) 7.678 2.794 ( -3.487 2.041 -0.752) 4.110 2.902 ( -0.037 -5.532 -2.903) 6.247 3.165 ( -3.636 1.755 3.143) 5.116 3.206 ( -3.702 2.065 3.319) 5.383 3.409 ( 1.077 -2.684 0.632) 2.960 3.538 ( -2.789 0.886 -3.204) 4.339 4.265 ( 0.309 2.963 18.019) 18.264 4.610 ( -0.102 0.859 32.604) 32.616 4.809 ( 2.489 1.712 4.815) 5.684 4.925 ( -1.838 6.242 11.756) 13.437 5.223 ( -0.876 -0.055 -1.563) 1.793 6.003 ( 0.594 -1.149 11.533) 11.605 7.066 ( -0.115 -0.036 -31.787) 31.787 7.122 ( 0.027 -4.976 -19.684) 20.303 8.276 ( 0.065 1.833 22.474) 22.549 9.338 ( -1.785 -3.200 -11.535) 12.103 12.442 ( 1.805 -0.795 24.150) 24.230 12.770 ( -0.023 -0.009 37.074) 37.074 14.177 ( 6.905 -5.378 -13.201) 15.839 15.146 ( -0.528 1.155 -16.780) 16.828 15.277 ( -4.810 12.457 31.689) 34.387 16.036 ( -0.567 0.012 4.604) 4.639 16.295 ( 0.323 -0.424 -3.944) 3.980 16.833 ( -2.894 1.464 -15.474) 15.810 19.563 ( -0.827 -2.965 -1.989) 3.665 19.628 ( -0.683 -2.032 -3.529) 4.129 ======================= Grid point 211 (68/105) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -0.000 -2.292) 2.292 1.114 ( 0.000 -0.000 -4.362) 4.362 1.581 ( 0.000 -0.000 -7.467) 7.467 1.731 ( 0.000 -0.000 -10.860) 10.860 1.939 ( 0.000 -0.000 -1.586) 1.586 1.978 ( 0.000 -0.000 -1.569) 1.569 2.270 ( 0.000 -0.000 0.463) 0.463 2.374 ( 0.000 -0.000 0.181) 0.181 2.541 ( 0.000 -0.000 -3.045) 3.045 2.637 ( 0.000 -0.000 -4.797) 4.797 2.759 ( -0.000 -0.000 5.407) 5.407 2.965 ( 0.000 -0.000 -5.133) 5.133 3.074 ( 0.000 -0.000 5.093) 5.093 3.179 ( 0.000 -0.000 4.125) 4.125 3.459 ( 0.000 -0.000 -0.970) 0.970 3.511 ( -0.000 -0.000 -3.100) 3.100 4.239 ( 0.000 -0.000 17.157) 17.157 4.604 ( 0.000 -0.000 31.993) 31.993 4.812 ( -0.000 -0.000 6.913) 6.913 4.850 ( 0.000 -0.000 12.046) 12.046 5.218 ( 0.000 -0.000 -1.860) 1.860 6.018 ( 0.000 0.000 13.041) 13.041 7.063 ( 0.000 -0.000 -33.166) 33.166 7.168 ( 0.000 -0.000 -18.595) 18.595 8.262 ( 0.000 -0.000 22.941) 22.941 9.354 ( 0.000 -0.000 -11.560) 11.560 12.460 ( 0.000 -0.000 24.561) 24.561 12.770 ( 0.000 -0.000 37.101) 37.101 14.276 ( 0.000 0.000 -16.602) 16.602 15.077 ( 0.000 0.000 29.907) 29.907 15.189 ( 0.000 -0.000 -10.348) 10.348 16.032 ( 0.000 0.000 4.503) 4.503 16.301 ( 0.000 -0.000 -3.853) 3.853 16.802 ( 0.000 -0.000 -16.597) 16.597 19.582 ( -0.000 -0.000 -1.797) 1.797 19.641 ( 0.000 -0.000 -3.342) 3.342 ======================= Grid point 217 (69/105) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 22.863 -0.000 0.230) 22.865 1.284 ( 2.588 -0.000 -1.795) 3.149 1.359 ( 4.191 -0.000 5.703) 7.078 1.547 ( -2.080 0.000 7.942) 8.210 1.793 ( 5.794 -0.000 2.225) 6.206 2.087 ( 1.341 -0.000 -4.296) 4.500 2.414 ( -1.077 0.000 -7.517) 7.593 2.466 ( -2.244 0.000 -5.145) 5.613 2.732 ( -8.571 0.000 5.188) 10.019 2.788 ( -5.644 0.000 0.334) 5.654 2.931 ( 0.425 -0.000 6.707) 6.721 3.035 ( 1.121 -0.000 2.531) 2.768 3.166 ( 1.130 -0.000 2.113) 2.396 3.184 ( -12.599 0.000 0.950) 12.635 3.520 ( -4.861 0.000 -1.278) 5.027 3.529 ( 4.700 -0.000 -2.913) 5.530 4.419 ( 0.794 -0.000 26.929) 26.941 4.667 ( 1.206 -0.000 42.967) 42.984 4.872 ( 5.066 -0.000 -0.186) 5.069 5.180 ( -1.310 0.000 0.838) 1.555 5.186 ( -1.700 0.000 4.076) 4.417 6.051 ( 2.665 -0.000 -3.400) 4.320 6.722 ( -4.165 0.000 -16.844) 17.351 7.126 ( -0.488 0.000 -32.815) 32.819 8.480 ( -5.232 0.000 14.501) 15.416 9.093 ( 2.142 -0.000 -5.165) 5.591 12.380 ( 3.419 -0.000 22.544) 22.801 12.768 ( 0.167 -0.000 36.854) 36.854 13.889 ( 9.881 -0.000 -8.613) 13.108 15.136 ( 0.974 -0.000 -24.098) 24.118 16.011 ( -0.128 0.000 3.901) 3.903 16.249 ( -0.316 0.000 -1.840) 1.867 16.337 ( -17.927 0.000 9.805) 20.434 16.853 ( -3.837 0.000 -4.787) 6.135 19.248 ( 0.571 -0.000 4.824) 4.858 19.561 ( 1.057 -0.000 -5.011) 5.121 ======================= Grid point 218 (70/105) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 10.142 8.925 2.784) 13.794 1.301 ( 5.878 4.805 1.899) 7.826 1.402 ( 10.815 -2.280 -4.286) 11.854 1.629 ( 1.274 -6.354 7.349) 9.798 1.894 ( 3.968 -1.775 0.633) 4.393 2.103 ( 0.126 -1.321 -1.177) 1.774 2.286 ( -1.904 6.652 -2.994) 7.539 2.546 ( -5.809 -0.371 -0.886) 5.887 2.569 ( -4.156 -0.372 -2.195) 4.715 2.724 ( -2.729 1.068 -2.181) 3.653 2.867 ( -4.031 4.148 6.710) 8.859 2.997 ( -2.402 4.208 0.033) 4.845 3.073 ( -5.422 -3.108 4.243) 7.553 3.210 ( 0.531 -2.442 2.363) 3.440 3.451 ( -5.235 2.051 -1.182) 5.745 3.565 ( 1.563 0.502 -4.421) 4.716 4.392 ( -0.201 3.351 25.452) 25.672 4.669 ( 1.437 1.652 40.529) 40.588 4.911 ( 4.851 2.691 0.481) 5.568 5.111 ( -2.334 3.716 4.909) 6.584 5.202 ( -1.386 -1.701 -0.163) 2.200 6.032 ( 1.727 4.130 -0.731) 4.536 6.779 ( -3.483 -11.072 -16.900) 20.502 7.110 ( -0.566 0.959 -32.666) 32.685 8.383 ( -3.797 3.514 18.583) 19.290 9.169 ( 1.388 -4.949 -7.390) 9.002 12.427 ( 3.961 -0.162 23.612) 23.943 12.770 ( 0.049 -0.023 36.546) 36.546 14.039 ( 11.576 -2.275 -7.530) 13.996 15.149 ( 1.038 -0.080 -23.547) 23.570 15.879 ( -15.157 16.590 19.351) 29.655 16.035 ( -3.793 0.382 6.024) 7.128 16.283 ( 1.248 -0.095 -4.516) 4.686 16.830 ( -5.580 -2.138 -9.325) 11.075 19.325 ( -0.624 -7.401 2.877) 7.965 19.584 ( 1.492 -0.930 -4.766) 5.080 ======================= Grid point 219 (71/105) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 6.659 6.120 5.007) 10.338 1.263 ( 4.486 6.082 -2.577) 7.984 1.561 ( 2.411 -2.020 -5.135) 6.022 1.747 ( 4.608 -3.372 -0.113) 5.711 1.890 ( 1.634 2.665 0.210) 3.133 2.110 ( -2.730 3.330 -0.843) 4.388 2.198 ( -1.226 -0.556 -1.476) 1.998 2.427 ( -5.025 1.546 5.657) 7.723 2.541 ( -2.084 2.066 -7.263) 7.833 2.752 ( -2.593 -1.071 1.232) 3.064 2.769 ( -1.518 -1.720 -0.835) 2.442 2.901 ( 0.170 3.463 -5.617) 6.601 3.118 ( 0.535 -3.258 6.472) 7.266 3.228 ( -0.487 2.142 2.879) 3.621 3.349 ( -4.101 0.223 1.614) 4.412 3.557 ( 0.026 0.995 -5.359) 5.450 4.316 ( -1.448 4.059 22.079) 22.495 4.649 ( 1.579 2.497 36.778) 36.897 4.891 ( 2.362 4.437 2.774) 5.741 5.001 ( -2.452 5.828 7.085) 9.496 5.208 ( -0.762 -0.786 -1.927) 2.216 6.001 ( 0.579 0.707 6.374) 6.439 6.950 ( -2.107 -11.566 -18.034) 21.528 7.087 ( -0.504 0.810 -32.425) 32.439 8.301 ( -1.825 2.208 21.712) 21.900 9.264 ( 0.920 -4.504 -9.550) 10.599 12.468 ( 3.063 0.389 24.597) 24.790 12.770 ( -0.021 -0.018 36.666) 36.666 14.211 ( 10.055 -2.461 -8.823) 13.601 15.157 ( 0.296 0.476 -21.410) 21.417 15.419 ( -12.677 14.834 28.706) 34.710 16.024 ( -0.668 -0.471 4.409) 4.484 16.298 ( 1.134 0.039 -4.423) 4.566 16.793 ( -4.459 -1.000 -13.769) 14.507 19.437 ( -2.191 -7.184 0.968) 7.572 19.623 ( 1.952 -1.205 -4.387) 4.951 ======================= Grid point 220 (72/105) ======================= q-point: ( 0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 3.436 2.657 0.099) 4.345 1.200 ( 2.866 6.250 -3.122) 7.551 1.544 ( -3.937 -0.720 -4.342) 5.906 1.757 ( -1.052 3.119 -8.842) 9.435 1.954 ( 0.380 1.051 0.116) 1.124 1.984 ( -0.068 0.341 -2.635) 2.658 2.229 ( -2.758 -4.445 0.998) 5.326 2.338 ( -3.410 2.319 1.973) 4.571 2.491 ( -3.752 0.154 -5.885) 6.981 2.693 ( -3.074 5.223 -3.629) 7.064 2.810 ( 6.222 -1.418 1.530) 6.563 2.949 ( 3.685 -3.562 -5.477) 7.501 3.090 ( -1.515 3.520 4.771) 6.120 3.204 ( 2.442 0.332 4.170) 4.844 3.369 ( -2.454 -3.565 1.683) 4.644 3.563 ( 2.285 -0.832 -4.347) 4.980 4.240 ( -2.078 2.045 19.398) 19.615 4.632 ( 1.950 1.878 33.998) 34.105 4.833 ( -0.581 3.193 6.687) 7.433 4.880 ( -1.830 4.649 8.184) 9.588 5.216 ( 0.238 -0.556 -2.148) 2.231 6.010 ( -0.035 -0.774 11.281) 11.307 7.062 ( -0.260 -0.806 -31.249) 31.260 7.098 ( -1.931 -5.932 -20.086) 21.032 8.261 ( -1.102 0.724 23.435) 23.472 9.341 ( 1.806 -2.740 -11.156) 11.628 12.479 ( 1.225 1.326 24.972) 25.037 12.770 ( 0.049 -0.015 36.950) 36.951 14.315 ( 4.207 1.629 -14.574) 15.256 15.087 ( -4.354 3.904 26.094) 26.741 15.195 ( -1.583 1.551 -9.484) 9.739 16.027 ( -0.115 -0.466 4.521) 4.546 16.305 ( 0.455 0.275 -4.238) 4.271 16.777 ( -1.624 -1.689 -16.134) 16.303 19.509 ( -2.397 -4.734 0.299) 5.314 19.666 ( 2.538 -0.652 -4.581) 5.278 ======================= Grid point 221 (73/105) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.792 6.864 0.213) 8.374 1.163 ( 3.719 3.826 -4.469) 6.960 1.491 ( -8.555 3.168 -6.776) 11.364 1.708 ( -0.504 -1.708 -11.691) 11.826 1.872 ( 1.032 1.319 1.782) 2.445 2.057 ( 1.047 -0.971 -3.332) 3.626 2.248 ( -1.654 -1.726 1.116) 2.638 2.341 ( -2.880 -5.321 -2.839) 6.683 2.444 ( -4.604 -2.238 -1.109) 5.238 2.588 ( -2.511 1.505 -3.726) 4.738 2.880 ( 6.530 3.327 2.008) 7.599 2.991 ( 2.859 2.159 -1.351) 3.829 3.134 ( 3.505 -5.094 0.090) 6.184 3.226 ( 0.517 -0.851 2.053) 2.282 3.378 ( -1.847 -1.194 2.524) 3.348 3.613 ( 4.977 0.719 -3.076) 5.895 4.210 ( -2.113 -1.380 18.120) 18.295 4.627 ( 1.885 1.459 31.788) 31.877 4.777 ( -2.553 1.436 5.347) 6.097 4.846 ( -0.347 -3.283 12.769) 13.188 5.232 ( 0.934 -0.420 -1.664) 1.954 6.011 ( -0.459 0.394 12.905) 12.919 7.062 ( -0.086 -0.163 -33.051) 33.052 7.145 ( -1.612 -1.352 -18.675) 18.793 8.248 ( -0.898 -0.562 24.227) 24.250 9.393 ( 2.633 -0.163 -12.684) 12.955 12.454 ( -0.416 2.096 24.532) 24.625 12.771 ( 0.074 0.027 37.207) 37.207 14.232 ( -2.908 7.905 -15.850) 17.949 15.100 ( 1.578 -6.634 29.845) 30.614 15.178 ( -0.900 -0.934 -10.955) 11.032 16.036 ( 0.267 -0.462 4.756) 4.786 16.301 ( -0.012 0.486 -4.203) 4.231 16.814 ( 0.830 -3.121 -16.313) 16.629 19.544 ( -1.645 -2.320 -0.153) 2.848 19.696 ( 2.767 1.118 -5.440) 6.205 ======================= Grid point 222 (74/105) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -4.673 3.489 2.175) 6.225 1.124 ( 1.375 4.136 -1.653) 4.661 1.264 ( -9.199 6.505 -3.500) 11.798 1.793 ( 1.698 -4.769 -13.495) 14.413 1.876 ( 0.638 2.508 -1.414) 2.949 2.084 ( 2.097 -1.102 -2.571) 3.496 2.213 ( -4.157 -0.252 3.097) 5.190 2.431 ( 0.142 -8.485 1.677) 8.650 2.523 ( -0.015 -7.920 -2.536) 8.316 2.611 ( -1.982 -7.280 -0.947) 7.604 2.837 ( 0.556 5.711 1.094) 5.841 2.965 ( 3.303 7.152 -2.573) 8.287 3.228 ( 0.521 -2.312 0.416) 2.406 3.256 ( -0.171 -3.790 -0.069) 3.794 3.388 ( 1.139 -0.405 6.185) 6.302 3.664 ( 4.923 0.279 -3.253) 5.908 4.229 ( -1.906 -3.694 18.741) 19.197 4.635 ( 1.829 0.171 34.145) 34.195 4.735 ( -3.150 -0.836 1.302) 3.509 4.956 ( 0.754 -7.983 12.201) 14.600 5.248 ( 0.828 -0.085 -0.702) 1.089 5.988 ( -0.461 1.434 11.611) 11.709 7.069 ( 0.151 -0.639 -32.225) 32.231 7.107 ( -0.781 3.958 -19.322) 19.739 8.265 ( -0.473 -2.735 23.656) 23.819 9.395 ( 1.984 3.542 -13.589) 14.182 12.407 ( -0.907 2.266 23.489) 23.616 12.771 ( -0.003 0.108 37.458) 37.458 14.042 ( -3.590 8.873 -13.327) 16.409 15.145 ( -0.171 0.632 -23.558) 23.567 15.362 ( 1.952 -17.939 38.312) 42.349 16.049 ( 0.382 -0.562 5.187) 5.232 16.292 ( 0.018 0.443 -4.089) 4.113 16.891 ( 1.531 -3.848 -14.772) 15.342 19.550 ( -0.635 0.058 -1.098) 1.269 19.680 ( 1.849 4.427 -6.216) 7.853 ======================= Grid point 223 (75/105) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.000 4.652 4.932) 6.779 1.090 ( 0.000 -2.094 10.367) 10.576 1.176 ( 0.000 -1.300 -7.812) 7.920 1.782 ( -0.000 6.696 -3.059) 7.361 1.865 ( 0.000 -0.023 -8.680) 8.680 2.086 ( -0.000 1.249 -5.543) 5.682 2.256 ( 0.000 -5.506 6.931) 8.852 2.605 ( 0.000 -11.179 4.186) 11.937 2.636 ( 0.000 -3.764 -1.795) 4.170 2.750 ( -0.000 4.526 0.936) 4.622 2.763 ( 0.000 -11.076 -0.558) 11.090 2.862 ( -0.000 3.113 -2.272) 3.854 3.241 ( -0.000 1.042 1.943) 2.205 3.329 ( 0.000 -3.313 -1.140) 3.504 3.398 ( 0.000 -0.366 6.377) 6.387 3.687 ( -0.000 1.223 -3.987) 4.170 4.292 ( 0.000 -4.889 20.778) 21.345 4.647 ( 0.000 -0.078 40.751) 40.751 4.748 ( 0.000 -2.851 -2.881) 4.053 5.086 ( 0.000 -6.079 8.515) 10.462 5.249 ( -0.000 0.573 0.408) 0.704 5.968 ( -0.000 0.171 7.304) 7.306 6.995 ( -0.000 8.189 -18.547) 20.274 7.092 ( 0.000 -1.585 -32.593) 32.631 8.337 ( 0.000 -6.253 20.660) 21.585 9.312 ( -0.000 7.733 -12.182) 14.429 12.366 ( -0.000 1.725 22.442) 22.509 12.768 ( -0.000 0.147 37.621) 37.622 13.883 ( -0.000 6.877 -11.771) 13.632 15.133 ( -0.000 0.561 -24.252) 24.258 15.737 ( 0.000 -23.299 28.586) 36.878 16.070 ( 0.000 -2.385 7.041) 7.434 16.291 ( 0.000 -0.491 -3.145) 3.183 16.958 ( 0.000 -2.377 -12.010) 12.243 19.509 ( -0.000 6.243 -2.669) 6.789 19.599 ( -0.000 4.561 -4.754) 6.589 ======================= Grid point 226 (76/105) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 5.218 -0.000 -1.108) 5.334 1.377 ( 4.576 -0.000 0.783) 4.643 1.471 ( 5.173 -0.000 5.902) 7.848 1.612 ( 5.626 -0.000 4.244) 7.047 1.967 ( 10.050 -0.000 3.220) 10.553 2.077 ( -2.439 0.000 -0.423) 2.475 2.380 ( -1.893 0.000 -8.173) 8.389 2.420 ( -0.635 0.000 -0.830) 1.045 2.517 ( -9.566 0.000 0.989) 9.617 2.700 ( -1.900 0.000 -0.996) 2.145 2.783 ( -12.118 0.000 8.670) 14.900 2.984 ( -4.370 0.000 -2.625) 5.098 3.018 ( 0.259 -0.000 3.893) 3.901 3.200 ( 1.364 -0.000 1.656) 2.146 3.426 ( -2.577 0.000 -0.620) 2.651 3.580 ( -1.052 0.000 -4.478) 4.600 4.414 ( -1.260 0.000 28.409) 28.437 4.707 ( 2.066 -0.000 41.343) 41.395 4.997 ( 4.934 -0.000 -0.954) 5.025 5.137 ( -2.262 0.000 3.163) 3.889 5.144 ( -1.536 0.000 0.145) 1.542 6.117 ( 2.550 -0.000 -5.913) 6.440 6.605 ( -5.249 0.000 -14.852) 15.753 7.110 ( -0.818 0.000 -32.641) 32.651 8.359 ( -4.348 0.000 20.007) 20.474 9.158 ( 3.183 -0.000 -6.899) 7.598 12.477 ( 4.377 -0.000 24.621) 25.007 12.769 ( -0.077 0.000 36.259) 36.259 14.166 ( 12.895 -0.000 -4.839) 13.773 15.161 ( 1.040 -0.000 -23.156) 23.179 15.782 ( -24.503 0.000 18.886) 30.937 16.007 ( -0.184 0.000 4.193) 4.197 16.309 ( 2.379 -0.000 -5.901) 6.363 16.745 ( -4.919 0.000 -8.697) 9.992 19.266 ( 0.895 -0.000 5.070) 5.148 19.595 ( 1.733 -0.000 -5.353) 5.627 ======================= Grid point 227 (77/105) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.922 8.496 6.178) 11.601 1.398 ( 2.121 3.881 -0.062) 4.424 1.542 ( 1.906 -1.035 2.824) 3.561 1.715 ( 1.916 -5.523 1.085) 5.946 1.968 ( 0.194 4.750 0.541) 4.785 2.094 ( -2.030 -0.288 -0.261) 2.067 2.253 ( -3.130 7.438 -4.843) 9.412 2.415 ( 0.331 0.620 5.971) 6.012 2.496 ( -3.431 -2.976 -5.077) 6.812 2.679 ( -1.627 -2.922 0.817) 3.443 2.713 ( -2.620 -2.098 0.511) 3.395 2.939 ( -0.528 1.347 -6.868) 7.019 3.059 ( 1.150 -4.037 7.037) 8.194 3.230 ( 0.114 -1.995 2.513) 3.211 3.361 ( -1.913 4.580 0.252) 4.970 3.546 ( -3.873 0.086 -4.842) 6.201 4.364 ( -1.877 3.495 26.958) 27.248 4.713 ( 2.025 1.994 39.999) 40.100 4.999 ( 1.936 4.814 1.318) 5.353 5.064 ( -1.008 4.033 1.980) 4.605 5.172 ( -1.067 -2.463 -1.484) 3.067 6.062 ( 0.756 5.826 -1.601) 6.089 6.695 ( -3.398 -13.606 -15.594) 20.972 7.094 ( -0.690 0.672 -32.542) 32.556 8.305 ( -2.499 1.299 22.361) 22.537 9.221 ( 2.643 -2.923 -8.285) 9.175 12.518 ( 3.484 0.762 25.541) 25.789 12.769 ( -0.118 -0.071 36.408) 36.408 14.320 ( 12.026 -0.313 -4.699) 12.915 15.169 ( 0.479 0.396 -22.011) 22.020 15.430 ( -19.600 8.156 23.129) 31.395 16.009 ( -0.286 -0.475 4.358) 4.394 16.326 ( 1.959 0.975 -5.905) 6.298 16.711 ( -4.228 -2.057 -12.069) 12.952 19.319 ( 0.003 -4.671 4.246) 6.313 19.625 ( 1.766 -1.066 -5.388) 5.770 ======================= Grid point 228 (78/105) ======================= q-point: ( 0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 4.985 6.749 4.858) 9.695 1.338 ( 1.708 5.740 -0.118) 5.990 1.500 ( -4.152 2.255 1.595) 4.987 1.783 ( -0.788 0.241 -5.513) 5.574 1.948 ( -1.415 -3.108 3.575) 4.944 1.973 ( -4.631 4.178 -0.517) 6.258 2.164 ( -0.900 1.164 -4.091) 4.348 2.366 ( -2.136 3.613 3.801) 5.663 2.470 ( -2.998 1.384 -7.975) 8.632 2.696 ( -3.914 -0.255 -2.543) 4.674 2.831 ( 9.313 -5.198 -1.751) 10.808 2.955 ( 4.370 -1.200 -6.481) 7.908 3.130 ( 0.003 -0.220 6.065) 6.069 3.230 ( -1.416 1.837 2.537) 3.437 3.309 ( 1.047 -2.089 3.978) 4.613 3.515 ( -3.776 -3.141 -4.873) 6.919 4.271 ( -1.918 4.311 23.735) 24.200 4.697 ( 2.142 2.432 38.396) 38.533 4.909 ( -0.393 6.057 6.408) 8.826 4.959 ( -1.156 6.907 -0.314) 7.010 5.199 ( -0.076 -1.710 -2.496) 3.026 6.007 ( 0.020 1.132 6.089) 6.193 6.893 ( -2.355 -12.702 -17.152) 21.473 7.075 ( -0.434 0.707 -32.581) 32.592 8.263 ( -1.171 1.113 24.174) 24.228 9.307 ( 2.133 -3.796 -10.137) 11.033 12.526 ( 1.757 1.959 25.919) 26.053 12.770 ( 0.011 -0.136 36.702) 36.702 14.425 ( 7.850 2.945 -10.836) 13.700 15.089 ( -9.119 5.011 25.891) 27.903 15.194 ( -2.205 0.928 -14.731) 14.924 16.016 ( -0.109 -0.644 4.551) 4.597 16.325 ( 0.889 1.143 -5.391) 5.582 16.715 ( -2.131 -2.872 -15.007) 15.427 19.400 ( -0.932 -5.371 3.054) 6.248 19.669 ( 1.696 -1.718 -5.508) 6.013 ======================= Grid point 229 (79/105) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -1.212 11.035 2.841) 11.459 1.287 ( 4.687 3.637 -2.395) 6.398 1.432 ( -5.451 0.423 -3.791) 6.653 1.719 ( -0.945 3.643 -7.769) 8.632 1.883 ( -1.334 -0.150 3.217) 3.486 2.041 ( 0.898 -4.246 -1.165) 4.493 2.145 ( -2.673 -1.174 -2.900) 4.115 2.308 ( -0.378 0.857 1.418) 1.699 2.394 ( -2.889 2.086 -8.544) 9.257 2.622 ( -2.072 3.945 -4.934) 6.648 2.992 ( 7.049 -1.513 -0.578) 7.233 3.045 ( 2.840 1.282 -0.041) 3.116 3.093 ( 1.428 -2.369 -0.645) 2.840 3.196 ( -3.564 0.533 0.670) 3.665 3.357 ( 0.847 -1.683 5.463) 5.779 3.596 ( 0.549 -7.011 -3.574) 7.889 4.194 ( -1.325 2.170 21.224) 21.375 4.686 ( 2.028 1.944 39.384) 39.484 4.808 ( -0.666 5.012 1.925) 5.410 4.835 ( -1.899 3.965 6.112) 7.529 5.227 ( 0.406 -1.221 -2.268) 2.607 6.005 ( -0.187 -0.454 10.970) 10.981 7.045 ( -1.183 -7.460 -18.995) 20.442 7.063 ( -0.364 -0.029 -31.963) 31.965 8.239 ( -0.541 0.528 25.319) 25.330 9.389 ( 1.521 -3.075 -12.158) 12.633 12.497 ( 0.325 2.827 25.517) 25.675 12.772 ( 0.060 -0.055 37.006) 37.006 14.367 ( 0.683 9.319 -16.908) 19.318 15.008 ( -1.810 -3.640 41.607) 41.805 15.175 ( -0.404 0.665 -22.369) 22.383 16.028 ( 0.057 -0.731 4.785) 4.841 16.313 ( 0.153 0.896 -4.967) 5.049 16.757 ( -0.283 -3.763 -16.195) 16.629 19.472 ( -0.792 -4.298 1.989) 4.802 19.715 ( 1.263 -1.395 -6.064) 6.349 ======================= Grid point 230 (80/105) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.000 8.855 2.581) 9.223 1.276 ( -0.000 4.307 -4.126) 5.965 1.298 ( -0.000 8.700 -4.568) 9.827 1.712 ( 0.000 -3.620 -14.027) 14.487 1.903 ( 0.000 -0.897 1.572) 1.810 2.118 ( -0.000 0.275 -2.693) 2.707 2.124 ( 0.000 -3.448 -0.155) 3.451 2.329 ( 0.000 -3.560 2.680) 4.457 2.396 ( 0.000 -5.004 -5.604) 7.513 2.553 ( -0.000 1.442 -4.064) 4.312 2.951 ( -0.000 6.140 2.106) 6.492 3.103 ( -0.000 5.182 -1.533) 5.404 3.143 ( 0.000 -5.976 -0.752) 6.023 3.182 ( 0.000 -4.206 -2.140) 4.719 3.390 ( 0.000 -1.108 7.231) 7.315 3.685 ( 0.000 -2.036 -4.036) 4.521 4.175 ( 0.000 -1.016 19.672) 19.699 4.669 ( -0.000 1.686 41.518) 41.553 4.726 ( -0.000 2.711 -6.269) 6.830 4.841 ( 0.000 -4.988 13.641) 14.525 5.246 ( 0.000 -0.699 -1.520) 1.673 6.005 ( -0.000 0.576 12.773) 12.786 7.060 ( 0.000 -0.243 -32.955) 32.956 7.120 ( 0.000 -1.879 -18.656) 18.751 8.235 ( 0.000 -0.580 25.378) 25.385 9.432 ( 0.000 -0.499 -13.754) 13.763 12.448 ( -0.000 2.950 24.499) 24.676 12.772 ( -0.000 0.067 37.327) 37.327 14.190 ( -0.000 10.666 -15.268) 18.625 15.128 ( 0.000 -10.909 41.988) 43.382 15.159 ( -0.000 0.874 -23.603) 23.619 16.040 ( 0.000 -0.667 5.008) 5.053 16.301 ( -0.000 0.599 -4.525) 4.564 16.827 ( 0.000 -4.367 -16.046) 16.630 19.525 ( 0.000 -2.452 0.674) 2.543 19.732 ( -0.000 0.662 -6.729) 6.761 ======================= Grid point 235 (81/105) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.342 -0.000 7.590) 7.707 1.434 ( -0.246 0.000 3.003) 3.013 1.603 ( 5.562 -0.000 6.296) 8.401 1.647 ( -1.504 0.000 0.764) 1.687 2.020 ( -7.980 0.000 -1.031) 8.046 2.037 ( 0.987 -0.000 -1.848) 2.095 2.314 ( -4.351 0.000 -7.082) 8.312 2.369 ( -1.092 0.000 1.165) 1.597 2.469 ( -0.997 0.000 5.763) 5.849 2.621 ( -5.194 0.000 0.573) 5.225 2.707 ( 10.849 -0.000 -0.251) 10.852 2.957 ( 2.930 -0.000 -7.342) 7.905 3.041 ( 0.859 -0.000 5.493) 5.559 3.198 ( -1.772 0.000 1.556) 2.358 3.395 ( -0.376 0.000 -1.039) 1.105 3.473 ( -7.769 0.000 -3.494) 8.518 4.375 ( -1.663 0.000 29.295) 29.342 4.751 ( 1.422 -0.000 41.241) 41.266 5.080 ( 1.937 -0.000 -2.050) 2.821 5.092 ( -1.427 0.000 1.701) 2.221 5.118 ( -0.465 0.000 -0.815) 0.938 6.158 ( 1.000 -0.000 -6.767) 6.841 6.502 ( -3.259 0.000 -12.737) 13.148 7.092 ( -0.596 0.000 -32.445) 32.450 8.290 ( -1.650 0.000 23.483) 23.541 9.227 ( 2.352 -0.000 -8.204) 8.535 12.564 ( 2.790 -0.000 26.386) 26.533 12.766 ( -0.184 0.000 36.493) 36.494 14.466 ( 12.692 -0.000 -3.469) 13.158 15.179 ( 0.447 -0.000 -22.414) 22.418 15.255 ( -19.863 0.000 23.358) 30.662 16.003 ( -0.124 0.000 4.432) 4.433 16.361 ( 1.744 -0.000 -7.191) 7.400 16.647 ( -3.078 0.000 -12.165) 12.548 19.286 ( 0.695 -0.000 5.320) 5.366 19.633 ( 1.331 -0.000 -5.758) 5.910 ======================= Grid point 236 (82/105) ======================= q-point: ( 0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.825 4.690 8.972) 10.287 1.409 ( 0.085 1.985 4.423) 4.849 1.540 ( -1.761 5.920 3.861) 7.284 1.736 ( 0.886 -4.793 -1.516) 5.104 1.902 ( -5.170 1.992 1.715) 5.800 2.022 ( 1.435 4.838 -0.488) 5.070 2.195 ( -2.245 3.185 -5.457) 6.706 2.395 ( -2.319 3.121 2.900) 4.851 2.441 ( -0.919 -2.920 -3.842) 4.913 2.614 ( -3.055 -3.733 -2.122) 5.270 2.890 ( 12.040 -2.766 -2.028) 12.519 2.998 ( 3.722 0.130 -5.509) 6.650 3.078 ( -0.210 -3.749 6.469) 7.479 3.195 ( -2.249 -2.165 1.394) 3.419 3.340 ( -1.653 3.039 -0.657) 3.522 3.407 ( -5.489 -1.546 -2.651) 6.288 4.325 ( -1.028 3.680 27.686) 27.948 4.750 ( 0.906 1.509 40.907) 40.945 5.003 ( -0.394 5.432 4.380) 6.989 5.069 ( 0.425 5.394 -3.972) 6.712 5.155 ( -0.359 -3.231 -1.956) 3.794 6.070 ( 0.105 6.533 -1.586) 6.723 6.635 ( -1.434 -14.290 -14.472) 20.389 7.082 ( -0.294 0.532 -32.420) 32.426 8.269 ( -0.650 0.828 24.508) 24.530 9.271 ( 1.277 -2.617 -9.083) 9.539 12.576 ( 1.291 1.499 26.761) 26.834 12.766 ( -0.063 -0.227 36.648) 36.649 14.585 ( 9.904 3.118 -10.851) 15.018 15.023 ( -12.792 2.374 32.237) 34.763 15.185 ( -0.174 -0.128 -21.939) 21.940 16.006 ( -0.059 -0.435 4.536) 4.557 16.360 ( 0.782 1.627 -6.904) 7.136 16.644 ( -1.427 -2.598 -13.895) 14.208 19.321 ( 0.118 -3.293 4.865) 5.875 19.657 ( 0.787 -1.294 -5.858) 6.051 ======================= Grid point 237 (83/105) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 8.824 6.142) 10.751 1.369 ( -0.000 2.857 1.797) 3.375 1.429 ( -0.000 4.187 1.084) 4.325 1.770 ( -0.000 1.537 -4.486) 4.742 1.856 ( 0.000 -0.324 5.167) 5.177 1.985 ( 0.000 -1.071 -1.584) 1.912 2.151 ( -0.000 1.690 -4.601) 4.901 2.331 ( -0.000 2.438 3.270) 4.079 2.431 ( -0.000 2.847 -10.820) 11.188 2.639 ( 0.000 -0.621 -4.020) 4.067 2.991 ( 0.000 -1.860 -2.647) 3.235 3.059 ( 0.000 -2.675 -4.590) 5.313 3.111 ( -0.000 0.390 4.822) 4.838 3.184 ( -0.000 1.457 1.829) 2.338 3.331 ( 0.000 -1.550 3.653) 3.968 3.443 ( 0.000 -8.403 -2.466) 8.757 4.246 ( -0.000 4.471 24.439) 24.844 4.727 ( -0.000 1.770 40.690) 40.728 4.904 ( -0.000 5.925 8.948) 10.732 4.941 ( -0.000 8.806 -6.243) 10.795 5.200 ( 0.000 -2.232 -2.604) 3.430 6.006 ( -0.000 1.316 5.982) 6.125 6.862 ( 0.000 -12.764 -16.634) 20.967 7.070 ( -0.000 0.640 -32.595) 32.601 8.250 ( -0.000 0.990 25.249) 25.269 9.336 ( 0.000 -3.902 -10.615) 11.309 12.547 ( -0.000 2.629 26.461) 26.591 12.770 ( 0.000 -0.221 36.763) 36.764 14.536 ( -0.000 8.834 -19.196) 21.132 14.945 ( 0.000 -1.546 42.964) 42.992 15.182 ( -0.000 0.352 -22.795) 22.798 16.015 ( 0.000 -0.716 4.681) 4.736 16.335 ( -0.000 1.610 -5.993) 6.205 16.691 ( 0.000 -3.658 -15.344) 15.774 19.390 ( 0.000 -4.670 3.712) 5.966 19.691 ( 0.000 -2.029 -5.997) 6.332 ======================= Grid point 246 (84/105) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 -0.000 11.630) 11.630 1.415 ( 0.000 -0.000 6.891) 6.891 1.618 ( 0.000 -0.000 -0.157) 0.157 1.675 ( 0.000 -0.000 1.313) 1.313 1.885 ( 0.000 -0.000 0.809) 0.809 2.126 ( 0.000 -0.000 0.084) 0.084 2.188 ( 0.000 -0.000 -6.324) 6.324 2.378 ( 0.000 -0.000 2.136) 2.136 2.422 ( -0.000 0.000 1.531) 1.531 2.548 ( 0.000 -0.000 -2.274) 2.274 2.964 ( 0.000 -0.000 -2.658) 2.658 3.026 ( 0.000 -0.000 -4.743) 4.743 3.038 ( 0.000 -0.000 5.099) 5.099 3.153 ( -0.000 0.000 -0.228) 0.228 3.313 ( 0.000 -0.000 -1.709) 1.709 3.393 ( 0.000 -0.000 -1.406) 1.406 4.353 ( 0.000 -0.000 29.455) 29.455 4.768 ( 0.000 -0.000 41.881) 41.881 5.075 ( 0.000 -0.000 0.899) 0.899 5.095 ( 0.000 -0.000 -0.372) 0.372 5.120 ( 0.000 -0.000 -3.469) 3.469 6.169 ( 0.000 -0.000 -6.786) 6.786 6.463 ( 0.000 -0.000 -11.812) 11.812 7.085 ( 0.000 -0.000 -32.352) 32.352 8.273 ( 0.000 -0.000 24.571) 24.571 9.256 ( 0.000 -0.000 -8.642) 8.642 12.598 ( 0.000 -0.000 27.037) 27.037 12.763 ( 0.000 -0.000 36.721) 36.721 14.702 ( -0.000 0.000 -21.369) 21.369 14.933 ( 0.000 -0.000 42.901) 42.901 15.184 ( 0.000 -0.000 -22.188) 22.188 16.001 ( 0.000 -0.000 4.513) 4.513 16.382 ( 0.000 -0.000 -7.635) 7.635 16.611 ( 0.000 -0.000 -13.449) 13.449 19.294 ( 0.000 -0.000 5.425) 5.425 19.650 ( 0.000 -0.000 -5.928) 5.928 ======================= Grid point 276 (85/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 0.000 10.420) 10.420 0.968 ( 0.000 0.000 -13.673) 13.673 1.607 ( 0.000 0.000 12.048) 12.048 1.730 ( 0.000 0.000 8.237) 8.237 1.734 ( 0.000 0.000 -1.140) 1.140 1.908 ( 0.000 0.000 -9.327) 9.327 2.328 ( 0.000 0.000 -2.329) 2.329 2.364 ( 0.000 0.000 -5.694) 5.694 2.921 ( 0.000 0.000 1.118) 1.118 2.925 ( 0.000 0.000 0.962) 0.962 2.964 ( 0.000 0.000 2.461) 2.461 2.997 ( 0.000 0.000 -0.874) 0.874 3.224 ( 0.000 0.000 4.113) 4.113 3.301 ( 0.000 0.000 -3.811) 3.811 3.500 ( 0.000 0.000 3.441) 3.441 3.558 ( 0.000 0.000 -2.412) 2.412 4.751 ( 0.000 0.000 9.413) 9.413 4.815 ( 0.000 0.000 0.388) 0.388 5.148 ( 0.000 0.000 5.705) 5.705 5.199 ( 0.000 0.000 -1.005) 1.005 5.640 ( 0.000 0.000 41.461) 41.461 6.104 ( 0.000 0.000 11.479) 11.479 6.415 ( 0.000 0.000 -18.956) 18.956 6.435 ( 0.000 0.000 -39.437) 39.437 8.764 ( 0.000 0.000 10.573) 10.573 8.946 ( 0.000 0.000 -8.139) 8.139 12.756 ( 0.000 0.000 21.285) 21.285 13.090 ( 0.000 0.000 -8.832) 8.832 13.914 ( 0.000 0.000 30.109) 30.109 14.567 ( 0.000 0.000 -33.076) 33.076 16.089 ( 0.000 0.000 4.113) 4.113 16.166 ( 0.000 0.000 -3.909) 3.909 16.716 ( 0.000 0.000 6.381) 6.381 16.825 ( 0.000 0.000 -4.872) 4.872 19.340 ( 0.000 0.000 5.467) 5.467 19.447 ( 0.000 0.000 -5.544) 5.544 ======================= Grid point 277 (86/105) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 9.328 -1.313 7.998) 12.357 1.005 ( 5.244 -0.680 -11.531) 12.686 1.500 ( 0.117 9.429 13.925) 16.818 1.700 ( -2.251 1.567 -3.763) 4.656 1.791 ( 4.864 -0.867 3.293) 5.937 1.937 ( 2.981 -1.248 -8.533) 9.125 2.343 ( -1.220 -4.135 3.929) 5.833 2.462 ( -0.966 -8.256 -7.451) 11.163 2.783 ( -6.773 7.713 2.581) 10.584 2.814 ( -6.059 7.170 -0.580) 9.406 2.926 ( 3.907 7.235 1.956) 8.452 2.954 ( 4.338 8.052 -0.880) 9.189 3.255 ( -0.576 -2.588 2.773) 3.837 3.299 ( -2.852 -1.188 -1.631) 3.494 3.488 ( -1.781 0.099 3.276) 3.730 3.556 ( -3.795 -1.647 -3.465) 5.396 4.699 ( 1.911 6.459 9.710) 11.817 4.796 ( 2.544 4.485 -1.559) 5.387 5.134 ( -0.840 1.031 6.288) 6.427 5.198 ( -0.919 -0.319 -1.528) 1.811 5.631 ( -0.290 0.945 41.288) 41.300 6.136 ( -0.021 -3.881 13.829) 14.364 6.421 ( -0.503 0.811 -38.515) 38.527 6.477 ( -0.538 -6.863 -20.413) 21.542 8.738 ( -0.731 1.701 13.893) 14.016 8.980 ( -0.201 -3.360 -11.122) 11.620 12.782 ( 2.440 -1.241 21.610) 21.783 13.111 ( 1.749 -1.165 -7.497) 7.786 13.946 ( 3.216 -1.459 27.970) 28.192 14.578 ( 1.145 -0.519 -32.592) 32.616 16.087 ( 0.114 0.332 4.725) 4.738 16.171 ( 0.403 -0.272 -3.854) 3.884 16.561 ( -6.148 11.547 12.559) 18.135 16.775 ( -4.118 3.795 -9.762) 11.255 19.392 ( 0.078 -5.279 3.658) 6.423 19.473 ( 0.342 -2.561 -4.588) 5.265 ======================= Grid point 278 (87/105) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 8.993 1.157 6.839) 11.357 1.090 ( 6.372 0.701 -8.136) 10.358 1.375 ( 3.701 5.584 10.923) 12.814 1.612 ( -0.534 5.880 -11.965) 13.343 1.889 ( 5.403 -3.116 5.235) 8.143 2.005 ( 3.512 -1.430 -5.938) 7.045 2.342 ( -4.580 3.251 6.608) 8.672 2.474 ( -5.235 5.524 -6.730) 10.159 2.629 ( -3.357 1.079 4.029) 5.354 2.710 ( -1.066 -3.375 -4.172) 5.471 2.829 ( 1.538 6.714 1.271) 7.004 2.851 ( 1.967 7.428 -1.149) 7.770 3.266 ( -2.133 -0.094 1.929) 2.877 3.280 ( -1.315 -0.122 0.445) 1.394 3.449 ( -3.441 0.886 2.605) 4.406 3.516 ( -5.509 -0.476 -4.046) 6.851 4.605 ( 2.041 6.886 9.720) 12.086 4.731 ( 2.834 6.365 -4.013) 8.040 5.097 ( -1.456 1.591 6.913) 7.242 5.184 ( -1.483 0.375 -2.637) 3.049 5.602 ( -0.409 1.870 41.910) 41.954 6.223 ( 0.200 -5.684 16.970) 17.898 6.398 ( -0.136 1.330 -38.447) 38.471 6.608 ( -0.233 -8.388 -20.895) 22.517 8.708 ( -0.563 0.797 18.458) 18.484 9.032 ( -0.834 -3.164 -15.019) 15.372 12.845 ( 3.391 -1.734 22.317) 22.640 13.159 ( 2.088 -1.465 -4.017) 4.759 14.030 ( 5.140 -2.411 22.367) 23.076 14.607 ( 1.731 -0.791 -31.302) 31.359 16.069 ( -0.214 2.914 9.830) 10.255 16.182 ( 0.505 -0.020 -2.025) 2.087 16.275 ( -7.443 9.679 15.729) 19.912 16.625 ( -5.715 6.063 -16.736) 18.695 19.485 ( -0.460 -5.329 1.172) 5.476 19.527 ( 0.219 -3.113 -2.995) 4.325 ======================= Grid point 279 (88/105) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 4.233 2.268 6.105) 7.767 1.078 ( 1.642 4.521 -3.322) 5.845 1.428 ( 6.880 -1.329 -0.834) 7.057 1.536 ( 2.330 3.305 -10.599) 11.344 1.951 ( -1.121 1.861 4.830) 5.296 2.015 ( -1.036 2.355 -2.503) 3.590 2.256 ( 0.008 -0.320 2.733) 2.751 2.353 ( 1.551 0.916 -6.522) 6.767 2.571 ( -1.574 5.489 4.876) 7.509 2.657 ( 1.099 9.086 -3.621) 9.843 2.809 ( -2.017 -3.097 1.570) 4.016 2.846 ( -1.947 -5.772 -2.470) 6.573 3.225 ( -0.791 2.911 2.970) 4.234 3.254 ( -1.562 0.980 0.727) 1.982 3.409 ( -1.313 -0.346 0.834) 1.593 3.462 ( -4.144 -0.192 -4.020) 5.777 4.528 ( 0.895 4.118 9.735) 10.608 4.667 ( 1.569 3.893 -5.329) 6.783 5.056 ( -0.985 1.339 7.312) 7.499 5.158 ( -1.082 0.610 -3.408) 3.628 5.567 ( -0.206 1.550 43.197) 43.225 6.307 ( 0.161 -3.389 12.630) 13.077 6.381 ( 0.100 0.452 -32.075) 32.079 6.727 ( 0.167 -5.164 -21.637) 22.245 8.697 ( -0.262 0.068 20.910) 20.912 9.063 ( -0.777 -1.752 -16.934) 17.042 12.906 ( 2.360 -1.214 22.912) 23.065 13.200 ( 1.235 -0.916 -0.353) 1.578 14.127 ( 4.149 -2.024 16.076) 16.726 14.638 ( 1.314 -0.608 -29.793) 29.829 15.936 ( -3.520 7.360 29.793) 30.890 16.135 ( -1.760 0.643 6.431) 6.699 16.208 ( 0.622 -0.484 -5.212) 5.272 16.474 ( -4.182 4.187 -22.109) 22.887 19.547 ( -0.400 -2.652 0.300) 2.698 19.572 ( -0.152 -2.037 -2.206) 3.007 ======================= Grid point 280 (89/105) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 -0.000 1.846) 1.846 1.038 ( 0.000 -0.000 -3.485) 3.485 1.484 ( 0.000 -0.000 -1.521) 1.521 1.541 ( 0.000 -0.000 -7.312) 7.312 1.917 ( 0.000 -0.000 -0.350) 0.350 1.936 ( 0.000 -0.000 -2.224) 2.224 2.328 ( 0.000 -0.000 4.737) 4.737 2.384 ( -0.000 0.000 -0.153) 0.153 2.499 ( 0.000 0.000 -1.004) 1.004 2.534 ( 0.000 -0.000 -4.937) 4.937 2.836 ( 0.000 -0.000 2.860) 2.860 2.887 ( 0.000 -0.000 -2.994) 2.994 3.182 ( 0.000 -0.000 5.384) 5.384 3.234 ( 0.000 -0.000 0.882) 0.882 3.414 ( 0.000 -0.000 -1.873) 1.873 3.436 ( 0.000 -0.000 -3.644) 3.644 4.497 ( 0.000 -0.000 9.924) 9.924 4.643 ( 0.000 -0.000 -5.822) 5.822 5.038 ( 0.000 -0.000 7.534) 7.534 5.145 ( 0.000 -0.000 -3.586) 3.586 5.552 ( 0.000 -0.000 43.754) 43.754 6.333 ( 0.000 -0.000 -4.219) 4.219 6.382 ( 0.000 -0.000 -14.666) 14.666 6.773 ( 0.000 -0.000 -21.917) 21.917 8.696 ( 0.000 -0.000 21.585) 21.585 9.073 ( 0.000 -0.000 -17.408) 17.408 12.931 ( 0.000 -0.000 23.123) 23.123 13.215 ( 0.000 -0.000 1.173) 1.173 14.172 ( 0.000 -0.000 13.189) 13.189 14.652 ( 0.000 -0.000 -29.085) 29.085 15.845 ( 0.000 -0.000 34.040) 34.040 16.124 ( 0.000 0.000 4.834) 4.834 16.219 ( 0.000 -0.000 -4.597) 4.597 16.410 ( 0.000 -0.000 -24.531) 24.531 19.567 ( 0.000 -0.000 0.191) 0.191 19.589 ( 0.000 -0.000 -2.016) 2.016 ======================= Grid point 286 (90/105) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 14.634 -0.000 3.735) 15.103 1.084 ( 8.612 -0.000 -9.488) 12.814 1.608 ( 0.489 -0.000 10.067) 10.079 1.675 ( -0.823 0.000 3.461) 3.557 1.851 ( 6.491 -0.000 4.503) 7.900 1.976 ( 5.016 -0.000 -7.109) 8.701 2.312 ( -1.267 0.000 -2.168) 2.511 2.350 ( -0.966 0.000 -5.474) 5.559 2.776 ( -9.025 0.000 0.837) 9.063 2.786 ( -7.828 0.000 -0.359) 7.836 3.039 ( 3.022 -0.000 3.410) 4.556 3.064 ( 1.756 -0.000 0.378) 1.796 3.200 ( -2.509 0.000 1.171) 2.768 3.203 ( -9.392 0.000 0.764) 9.423 3.487 ( 0.339 -0.000 -0.993) 1.049 3.493 ( -3.814 0.000 -1.257) 4.016 4.791 ( 2.599 -0.000 10.918) 11.223 4.877 ( 4.453 -0.000 -0.295) 4.463 5.133 ( -1.208 0.000 4.796) 4.946 5.178 ( -1.639 0.000 -1.053) 1.948 5.635 ( -0.372 0.000 41.791) 41.792 6.103 ( -0.021 0.000 9.617) 9.617 6.375 ( -2.714 0.000 -20.341) 20.521 6.438 ( -0.206 0.000 -36.697) 36.698 8.740 ( -1.663 0.000 12.472) 12.583 8.952 ( 0.595 -0.000 -9.385) 9.404 12.815 ( 4.619 -0.000 21.776) 22.261 13.131 ( 3.076 -0.000 -5.506) 6.307 13.990 ( 6.222 -0.000 25.313) 26.067 14.594 ( 2.155 -0.000 -31.859) 31.932 16.091 ( 0.184 -0.000 4.390) 4.394 16.176 ( 0.774 -0.000 -4.370) 4.438 16.552 ( -13.075 0.000 10.730) 16.914 16.732 ( -7.438 0.000 -7.872) 10.830 19.349 ( 0.732 -0.000 5.567) 5.615 19.458 ( 0.892 -0.000 -5.637) 5.707 ======================= Grid point 287 (91/105) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 11.583 2.689 2.787) 12.213 1.197 ( 9.388 0.045 -7.241) 11.856 1.527 ( 2.613 7.420 10.236) 12.910 1.679 ( 0.495 1.893 -3.754) 4.233 1.935 ( 6.874 -0.186 4.675) 8.315 2.040 ( 4.416 -0.355 -5.177) 6.813 2.297 ( -2.544 -1.672 4.379) 5.333 2.421 ( -2.557 -5.108 -7.598) 9.506 2.609 ( -7.207 4.343 2.816) 8.873 2.669 ( -4.504 2.534 -3.287) 6.125 2.945 ( -5.050 7.044 2.297) 8.967 2.978 ( -4.989 6.504 -1.419) 8.319 3.178 ( -2.695 -4.813 5.047) 7.476 3.233 ( -0.482 -3.733 -0.514) 3.799 3.440 ( -3.149 1.684 0.543) 3.612 3.482 ( -0.651 0.999 -3.656) 3.845 4.751 ( 1.738 6.915 11.818) 13.802 4.879 ( 3.683 5.759 -2.559) 7.299 5.102 ( -1.684 1.347 4.819) 5.280 5.163 ( -1.821 -0.389 -2.069) 2.784 5.622 ( -0.353 1.007 42.094) 42.108 6.135 ( -0.065 -4.000 11.627) 12.296 6.400 ( -1.213 -2.337 -32.527) 32.633 6.454 ( -1.298 -5.746 -24.546) 25.243 8.713 ( -1.114 0.753 15.753) 15.810 8.982 ( 0.567 -2.174 -12.037) 12.245 12.879 ( 5.230 -0.388 22.277) 22.886 13.174 ( 3.027 -0.484 -1.786) 3.547 14.081 ( 7.710 -0.705 19.730) 21.194 14.624 ( 2.519 -0.224 -30.389) 30.494 16.091 ( 0.136 0.409 5.520) 5.537 16.189 ( 1.026 -0.243 -4.639) 4.757 16.306 ( -14.368 7.640 17.750) 24.080 16.612 ( -8.844 2.598 -13.637) 16.460 19.397 ( 0.425 -4.157 4.419) 6.082 19.489 ( 1.034 -2.107 -5.014) 5.536 ======================= Grid point 288 (92/105) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 7.001 6.420 6.403) 11.455 1.226 ( 5.125 6.794 -2.934) 9.002 1.502 ( 5.211 1.532 1.744) 5.705 1.627 ( 1.671 4.442 -8.911) 10.096 1.978 ( 0.265 1.964 5.100) 5.472 2.054 ( -0.743 3.171 -3.345) 4.669 2.242 ( -3.230 0.447 5.142) 6.089 2.379 ( -2.442 2.071 -8.448) 9.034 2.564 ( -1.725 -1.014 7.971) 8.218 2.712 ( 2.136 -5.171 -6.134) 8.302 2.775 ( -5.322 2.337 0.666) 5.850 2.798 ( -6.123 5.306 -2.792) 8.569 3.225 ( 0.314 -1.048 4.358) 4.494 3.265 ( 0.212 0.865 0.394) 0.974 3.381 ( -2.071 0.023 2.092) 2.944 3.450 ( -0.945 0.663 -5.119) 5.247 4.633 ( 0.102 7.550 11.434) 13.702 4.787 ( 1.634 7.844 -5.155) 9.527 5.060 ( -1.592 1.179 6.025) 6.342 5.148 ( -1.306 -0.124 -3.348) 3.596 5.595 ( -0.096 1.756 42.724) 42.760 6.224 ( -0.205 -5.949 15.445) 16.552 6.392 ( -0.296 0.911 -37.817) 37.829 6.589 ( -1.441 -9.763 -20.033) 22.332 8.697 ( -0.269 0.219 19.177) 19.180 9.027 ( 0.630 -2.243 -14.971) 15.151 12.937 ( 3.979 0.261 22.775) 23.122 13.210 ( 2.058 -0.211 1.539) 2.579 14.173 ( 6.304 0.055 13.927) 15.287 14.653 ( 1.913 0.042 -28.910) 28.974 15.992 ( -8.744 7.153 26.846) 29.126 16.119 ( -1.786 -0.047 6.067) 6.324 16.207 ( 0.764 -0.458 -5.024) 5.103 16.469 ( -6.666 2.663 -20.255) 21.489 19.474 ( -0.323 -4.494 2.836) 5.324 19.541 ( 0.945 -2.455 -4.007) 4.793 ======================= Grid point 289 (93/105) ======================= q-point: ( 0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 3.430 7.195 4.301) 9.057 1.144 ( 3.613 8.015 -3.219) 9.363 1.498 ( -1.530 2.856 0.394) 3.264 1.581 ( 0.040 4.110 -7.975) 8.972 1.933 ( -0.338 2.064 -0.914) 2.283 1.942 ( -1.049 1.599 -1.656) 2.530 2.282 ( -1.474 -5.224 3.891) 6.679 2.358 ( -3.407 -0.575 -3.243) 4.739 2.456 ( -5.580 3.324 5.070) 8.240 2.587 ( -5.181 6.883 -7.054) 11.134 2.837 ( 4.721 -4.234 1.317) 6.477 2.871 ( 4.461 -5.040 -2.587) 7.211 3.182 ( -1.806 2.732 4.553) 5.609 3.244 ( -0.611 1.351 -0.903) 1.736 3.393 ( 0.996 -1.260 2.511) 2.981 3.470 ( 2.667 -1.514 -4.878) 5.762 4.525 ( -0.870 4.223 10.832) 11.659 4.684 ( -0.058 5.014 -6.254) 8.016 5.031 ( -1.099 0.179 7.446) 7.529 5.141 ( -0.325 -0.313 -3.973) 3.998 5.566 ( 0.109 1.475 43.466) 43.491 6.305 ( -0.347 -3.583 13.193) 13.675 6.377 ( -0.360 0.309 -33.198) 33.201 6.710 ( -1.489 -6.134 -21.060) 21.985 8.696 ( 0.206 -0.076 21.400) 21.401 9.068 ( 1.102 -1.373 -17.035) 17.126 12.955 ( 1.621 1.550 23.092) 23.201 13.225 ( 0.883 0.528 2.524) 2.726 14.205 ( 2.115 2.342 11.436) 11.863 14.662 ( 0.594 0.717 -28.501) 28.516 15.831 ( -4.550 1.413 33.278) 33.618 16.120 ( 0.174 -0.513 4.991) 5.020 16.216 ( -0.308 -0.078 -5.086) 5.096 16.395 ( -1.929 -0.372 -23.745) 23.827 19.532 ( -0.556 -2.917 2.053) 3.610 19.587 ( 1.022 -1.457 -3.576) 3.995 ======================= Grid point 290 (94/105) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.862 5.390 5.472) 7.729 1.081 ( 3.245 3.754 -4.598) 6.765 1.394 ( -6.352 3.786 -1.206) 7.492 1.483 ( -3.129 1.786 -9.724) 10.370 1.941 ( 2.650 -1.919 3.733) 4.964 2.000 ( 2.257 -1.684 -2.666) 3.878 2.262 ( -2.416 1.213 1.174) 2.947 2.300 ( -6.115 -1.410 -2.048) 6.602 2.447 ( -3.250 -5.722 1.449) 6.738 2.502 ( -2.470 -3.151 -4.222) 5.818 2.921 ( 5.534 3.050 2.041) 6.641 2.958 ( 4.699 2.178 -1.854) 5.501 3.164 ( -0.870 -3.330 2.573) 4.297 3.217 ( -3.141 -1.623 -2.402) 4.274 3.440 ( 4.024 -0.680 4.393) 5.996 3.533 ( 4.904 -0.241 -4.864) 6.911 4.477 ( -1.406 -0.038 10.036) 10.134 4.626 ( -1.229 0.998 -6.122) 6.323 5.034 ( -0.203 -1.587 8.244) 8.398 5.154 ( 0.582 -1.000 -3.936) 4.103 5.555 ( 0.207 -0.059 43.587) 43.587 6.331 ( -0.136 -0.087 6.424) 6.426 6.372 ( -0.654 -0.211 -25.597) 25.606 6.753 ( -1.339 -0.896 -21.592) 21.652 8.701 ( 0.332 0.007 22.428) 22.430 9.094 ( 1.391 0.163 -18.284) 18.337 12.924 ( -0.511 2.763 23.082) 23.252 13.213 ( -0.174 1.475 0.545) 1.582 14.147 ( -1.657 4.347 14.546) 15.272 14.644 ( -0.542 1.326 -29.543) 29.578 15.844 ( -0.070 -5.631 32.544) 33.027 16.138 ( 0.990 -0.922 6.138) 6.286 16.205 ( -0.797 0.206 -6.126) 6.181 16.435 ( 1.552 -4.127 -22.943) 23.363 19.558 ( -0.333 -0.746 1.649) 1.840 19.609 ( 1.070 0.508 -3.618) 3.807 ======================= Grid point 291 (95/105) ======================= q-point: (-0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -3.318 3.138 8.957) 10.054 1.060 ( -0.393 2.478 -8.076) 8.456 1.274 ( -4.127 -0.433 7.875) 8.901 1.509 ( -0.155 -5.887 -14.773) 15.904 1.910 ( -2.543 4.487 4.434) 6.802 2.011 ( -0.782 2.310 -5.152) 5.700 2.295 ( 2.209 -6.534 5.169) 8.619 2.395 ( 4.391 -9.168 -4.692) 11.196 2.529 ( -3.841 -8.658 2.412) 9.774 2.578 ( -3.643 -9.327 -2.363) 10.288 2.861 ( 1.379 7.217 1.768) 7.557 2.907 ( 2.187 8.144 -2.987) 8.946 3.234 ( -0.146 -3.993 0.375) 4.013 3.245 ( -1.041 -4.383 -0.716) 4.562 3.495 ( 3.663 0.046 5.164) 6.331 3.588 ( 4.287 0.292 -4.481) 6.208 4.492 ( -1.456 -3.773 9.310) 10.150 4.625 ( -1.430 -2.875 -5.328) 6.221 5.074 ( 0.497 -2.551 8.127) 8.532 5.183 ( 0.753 -1.238 -3.167) 3.483 5.573 ( 0.218 -1.700 42.564) 42.599 6.301 ( -0.253 3.531 18.835) 19.164 6.376 ( -0.182 -1.057 -38.222) 38.237 6.713 ( -0.613 4.126 -21.640) 22.038 8.705 ( 0.241 -0.176 21.773) 21.775 9.090 ( 0.946 2.091 -18.145) 18.289 12.860 ( -1.205 3.212 22.634) 22.892 13.175 ( -0.696 2.234 -3.357) 4.092 14.045 ( -2.175 4.450 20.970) 21.547 14.612 ( -0.728 1.436 -31.155) 31.197 15.979 ( 0.610 -8.119 22.888) 24.293 16.175 ( 0.517 -1.128 5.398) 5.539 16.209 ( 0.962 -2.997 0.580) 3.201 16.554 ( 2.089 -7.087 -20.244) 21.550 19.548 ( -0.073 1.759 0.926) 1.989 19.588 ( 0.635 3.163 -3.366) 4.662 ======================= Grid point 292 (96/105) ======================= q-point: (-0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -0.000 2.920 9.141) 9.596 0.999 ( -0.000 2.392 -10.504) 10.773 1.340 ( 0.000 -8.301 14.899) 17.055 1.630 ( 0.000 -7.280 -14.511) 16.235 1.811 ( -0.000 4.495 5.645) 7.216 1.953 ( -0.000 2.653 -7.941) 8.372 2.409 ( 0.000 -0.897 8.281) 8.329 2.555 ( 0.000 -1.944 -6.443) 6.730 2.677 ( 0.000 -11.765 3.367) 12.238 2.733 ( 0.000 -11.709 -2.394) 11.951 2.770 ( -0.000 2.409 1.574) 2.878 2.811 ( -0.000 0.306 -2.621) 2.639 3.274 ( 0.000 -0.758 1.562) 1.736 3.303 ( 0.000 -2.220 -1.444) 2.648 3.511 ( -0.000 0.637 5.367) 5.404 3.606 ( -0.000 1.003 -4.548) 4.657 4.572 ( 0.000 -6.577 9.176) 11.289 4.689 ( 0.000 -5.612 -3.939) 6.857 5.116 ( 0.000 -1.811 7.640) 7.852 5.203 ( 0.000 -0.481 -2.174) 2.227 5.608 ( 0.000 -1.936 41.225) 41.270 6.220 ( -0.000 5.451 18.117) 18.919 6.399 ( 0.000 -1.637 -39.288) 39.322 6.609 ( -0.000 7.494 -21.127) 22.416 8.716 ( 0.000 -1.101 18.627) 18.659 9.046 ( -0.000 3.661 -15.579) 16.004 12.801 ( -0.000 2.590 21.980) 22.132 13.131 ( -0.000 2.182 -6.699) 7.045 13.966 ( -0.000 3.142 26.380) 26.566 14.585 ( -0.000 1.082 -32.332) 32.350 16.069 ( 0.000 -2.313 8.082) 8.407 16.175 ( -0.000 0.363 -2.977) 3.000 16.371 ( 0.000 -13.062 16.862) 21.329 16.697 ( 0.000 -7.538 -15.439) 17.181 19.491 ( -0.000 5.284 0.662) 5.325 19.527 ( -0.000 3.868 -2.915) 4.843 ======================= Grid point 295 (97/105) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 9.731 -0.000 -0.034) 9.731 1.297 ( 8.524 -0.000 -4.070) 9.446 1.645 ( 2.559 -0.000 6.793) 7.259 1.687 ( 1.200 -0.000 2.038) 2.365 2.022 ( 6.036 -0.000 2.886) 6.691 2.073 ( 1.322 -0.000 -1.367) 1.902 2.271 ( -2.275 0.000 -1.277) 2.609 2.336 ( -0.217 0.000 -5.913) 5.917 2.567 ( -5.875 0.000 4.018) 7.118 2.650 ( -1.396 0.000 -3.991) 4.228 2.894 ( -13.434 0.000 3.097) 13.786 2.938 ( -10.653 0.000 -2.083) 10.855 3.121 ( 2.227 -0.000 5.913) 6.319 3.203 ( 2.017 -0.000 -1.995) 2.837 3.428 ( -2.263 0.000 1.435) 2.680 3.486 ( -1.485 0.000 -4.370) 4.615 4.833 ( 0.611 -0.000 14.187) 14.200 4.975 ( 3.269 -0.000 -2.485) 4.106 5.099 ( -1.498 0.000 3.036) 3.385 5.135 ( -1.851 0.000 -1.156) 2.182 5.627 ( -0.163 0.000 42.331) 42.332 6.106 ( 0.265 -0.000 5.677) 5.683 6.306 ( -2.802 0.000 -16.124) 16.366 6.427 ( -0.627 0.000 -37.434) 37.439 8.706 ( -0.942 0.000 16.151) 16.179 8.977 ( 1.495 -0.000 -11.902) 11.995 12.942 ( 5.640 -0.000 22.417) 23.116 13.206 ( 2.904 -0.000 1.935) 3.490 14.175 ( 8.756 -0.000 14.566) 16.995 14.654 ( 2.671 -0.000 -28.743) 28.867 16.096 ( 0.175 -0.000 5.014) 5.017 16.172 ( -13.747 0.000 13.629) 19.358 16.208 ( -2.175 0.000 1.129) 2.451 16.522 ( -9.534 0.000 -14.696) 17.518 19.372 ( 1.135 -0.000 5.831) 5.940 19.486 ( 1.406 -0.000 -5.928) 6.093 ======================= Grid point 296 (98/105) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 7.092 4.519 3.775) 9.218 1.377 ( 5.757 2.624 -2.750) 6.898 1.603 ( 2.940 4.752 5.138) 7.591 1.702 ( 0.416 1.993 -3.472) 4.025 2.016 ( -1.070 2.598 2.974) 4.091 2.071 ( -3.177 0.511 -2.445) 4.041 2.214 ( -3.996 2.616 3.357) 5.838 2.347 ( -3.175 -1.295 -8.308) 8.987 2.570 ( 4.656 -0.118 8.037) 9.289 2.678 ( 2.586 -2.204 -1.835) 3.861 2.718 ( -7.996 1.405 0.939) 8.172 2.792 ( -6.681 3.109 -7.311) 10.380 3.190 ( 1.338 -4.265 5.736) 7.272 3.256 ( 0.939 -3.103 -0.691) 3.314 3.375 ( -2.706 2.425 1.853) 4.079 3.443 ( -3.413 1.149 -4.990) 6.153 4.764 ( -0.460 7.283 14.469) 16.205 4.941 ( 1.555 7.050 -4.755) 8.645 5.065 ( -1.355 1.566 3.537) 4.099 5.125 ( -1.353 -0.766 -2.480) 2.927 5.618 ( 0.078 0.967 42.535) 42.546 6.133 ( -0.175 -3.587 9.263) 9.935 6.370 ( -1.193 -7.114 -22.853) 23.964 6.424 ( -1.165 -2.354 -31.637) 31.746 8.698 ( -0.171 0.148 18.444) 18.445 9.008 ( 1.518 -1.433 -13.778) 13.935 12.997 ( 4.424 0.771 22.634) 23.075 13.235 ( 2.097 0.109 4.980) 5.404 14.265 ( 7.245 0.995 9.291) 11.824 14.680 ( 2.006 0.295 -27.206) 27.281 15.952 ( -13.483 3.613 26.498) 29.949 16.102 ( -0.181 -0.483 5.175) 5.201 16.215 ( 0.975 0.150 -5.430) 5.519 16.412 ( -7.334 0.596 -19.275) 20.632 19.411 ( 0.693 -2.921 5.283) 6.076 19.517 ( 1.248 -1.715 -5.678) 6.061 ======================= Grid point 297 (99/105) ======================= q-point: ( 0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 4.527 9.198 5.583) 11.673 1.331 ( 3.511 8.035 -1.279) 8.861 1.547 ( -1.554 5.067 3.636) 6.428 1.653 ( -0.032 3.594 -6.993) 7.863 1.963 ( -3.378 3.618 -0.260) 4.957 1.976 ( 1.431 1.777 -1.207) 2.581 2.162 ( -5.160 -2.293 4.932) 7.497 2.300 ( -5.015 0.815 -8.475) 9.882 2.479 ( -4.830 4.787 7.046) 9.792 2.613 ( -6.263 3.407 -6.134) 9.405 2.817 ( 8.497 -5.680 0.345) 10.227 2.852 ( 7.567 -4.305 -3.603) 9.422 3.221 ( -1.705 2.472 3.765) 4.816 3.262 ( -1.965 2.066 0.001) 2.851 3.367 ( 0.901 -3.577 2.368) 4.383 3.423 ( -1.318 -4.293 -3.976) 5.998 4.620 ( -0.782 7.915 13.132) 15.352 4.807 ( 0.288 9.012 -7.019) 11.427 5.027 ( -1.172 1.066 6.200) 6.399 5.127 ( -0.584 -0.808 -4.063) 4.183 5.597 ( 0.171 1.738 42.902) 42.937 6.214 ( -0.512 -5.829 14.780) 15.896 6.387 ( -0.126 0.932 -38.252) 38.264 6.549 ( -1.709 -10.172 -18.654) 21.315 8.698 ( 0.277 -0.078 20.843) 20.845 9.054 ( 1.342 -1.912 -16.060) 16.229 13.012 ( 2.285 2.208 22.938) 23.157 13.248 ( 1.138 0.636 5.700) 5.848 14.291 ( 3.402 3.614 6.974) 8.559 14.686 ( 0.875 1.019 -26.943) 26.977 15.785 ( -7.055 1.227 32.460) 33.240 16.110 ( -0.033 -0.734 4.739) 4.796 16.214 ( -0.362 0.454 -6.300) 6.326 16.355 ( -2.608 -1.121 -21.839) 22.023 19.472 ( 0.071 -3.542 4.358) 5.616 19.565 ( 0.919 -2.259 -5.235) 5.775 ======================= Grid point 298 (100/105) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.003 10.877 5.972) 12.449 1.230 ( 3.297 7.648 -4.357) 9.400 1.411 ( -3.888 5.900 2.748) 7.582 1.538 ( -1.979 7.628 -9.426) 12.286 1.949 ( 3.367 -1.281 3.551) 5.058 2.014 ( 3.840 -1.003 -2.738) 4.822 2.138 ( -7.570 -4.103 2.702) 9.025 2.228 ( -5.516 -1.030 -6.388) 8.503 2.387 ( -1.138 1.818 4.915) 5.363 2.504 ( -1.770 3.765 -6.738) 7.919 2.987 ( 6.329 -4.025 0.371) 7.510 3.009 ( 6.066 -3.843 -1.887) 7.424 3.131 ( -3.038 3.236 2.818) 5.258 3.181 ( -4.071 2.856 -2.017) 5.366 3.445 ( 1.932 -3.291 4.296) 5.746 3.525 ( 1.493 -5.448 -3.906) 6.868 4.503 ( -0.686 4.666 11.613) 12.534 4.676 ( -0.377 6.061 -7.212) 9.428 5.009 ( -0.585 -0.471 8.392) 8.425 5.139 ( 0.028 -1.117 -4.818) 4.946 5.570 ( 0.126 1.449 43.429) 43.454 6.294 ( -0.390 -3.924 17.712) 18.145 6.370 ( -0.151 0.712 -38.423) 38.429 6.675 ( -1.073 -6.392 -20.213) 21.227 8.704 ( 0.259 -0.110 22.652) 22.653 9.097 ( 0.904 -1.404 -18.087) 18.164 12.979 ( 0.461 3.486 23.161) 23.426 13.239 ( 0.306 1.430 3.682) 3.961 14.228 ( 0.172 5.859 9.864) 11.474 14.668 ( 0.016 1.710 -28.229) 28.281 15.755 ( -1.700 -3.468 33.915) 34.135 16.127 ( 0.217 -1.177 4.802) 4.949 16.200 ( -0.557 0.251 -7.144) 7.170 16.381 ( 0.071 -3.240 -21.801) 22.041 19.525 ( -0.103 -2.661 3.555) 4.442 19.608 ( 0.568 -1.582 -5.012) 5.287 ======================= Grid point 299 (101/105) ======================= q-point: (-0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 8.185 9.056) 12.207 1.145 ( -0.000 5.837 -9.212) 10.906 1.284 ( -0.000 5.069 3.989) 6.450 1.448 ( -0.000 0.136 -12.290) 12.291 1.962 ( -0.000 2.767 4.460) 5.249 2.052 ( -0.000 1.585 -4.272) 4.556 2.172 ( 0.000 -7.580 4.585) 8.859 2.279 ( 0.000 -7.736 -6.167) 9.893 2.387 ( 0.000 -3.266 3.455) 4.755 2.465 ( 0.000 -1.334 -4.616) 4.805 2.998 ( -0.000 7.094 2.822) 7.635 3.056 ( -0.000 6.769 -2.996) 7.402 3.136 ( 0.000 -6.333 0.129) 6.334 3.149 ( 0.000 -5.729 -1.217) 5.857 3.504 ( 0.000 -1.741 5.361) 5.636 3.601 ( 0.000 -2.047 -4.735) 5.158 4.455 ( -0.000 0.435 10.234) 10.243 4.607 ( -0.000 1.660 -6.477) 6.686 5.032 ( 0.000 -2.383 8.959) 9.271 5.163 ( 0.000 -1.509 -4.268) 4.527 5.558 ( 0.000 -0.110 43.401) 43.401 6.328 ( 0.000 -0.222 20.022) 20.023 6.363 ( 0.000 -0.152 -39.482) 39.483 6.733 ( 0.000 -1.210 -21.258) 21.292 8.706 ( -0.000 0.033 23.226) 23.226 9.115 ( -0.000 0.128 -19.123) 19.123 12.916 ( -0.000 3.917 23.033) 23.364 13.210 ( -0.000 2.152 -0.094) 2.154 14.123 ( -0.000 5.989 15.887) 16.978 14.636 ( -0.000 1.848 -29.980) 30.037 15.843 ( 0.000 -7.506 31.248) 32.137 16.153 ( 0.000 -1.596 7.253) 7.426 16.195 ( 0.000 -0.018 -7.052) 7.052 16.456 ( 0.000 -5.525 -21.953) 22.637 19.555 ( 0.000 -0.784 2.519) 2.638 19.623 ( -0.000 0.414 -4.634) 4.652 ======================= Grid point 304 (102/105) ======================= q-point: ( 0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 5.827 -0.000 2.736) 6.437 1.458 ( 5.199 -0.000 -0.419) 5.216 1.688 ( -1.898 0.000 2.505) 3.142 1.690 ( -0.094 0.000 2.552) 2.554 2.000 ( -6.054 0.000 0.022) 6.054 2.030 ( -1.877 0.000 -1.252) 2.256 2.224 ( -1.538 0.000 0.306) 1.568 2.307 ( -0.170 0.000 -5.639) 5.641 2.595 ( -7.534 0.000 5.707) 9.451 2.635 ( -7.681 0.000 0.457) 7.695 2.708 ( 10.497 -0.000 1.332) 10.581 2.807 ( 6.382 -0.000 -7.760) 10.047 3.156 ( 0.360 -0.000 5.497) 5.508 3.216 ( -1.721 0.000 -0.454) 1.780 3.370 ( -2.251 0.000 -0.733) 2.367 3.397 ( -5.887 0.000 -3.359) 6.778 4.825 ( -0.865 0.000 16.743) 16.766 5.022 ( 1.001 -0.000 -5.060) 5.158 5.070 ( -0.920 0.000 1.810) 2.030 5.099 ( -1.202 0.000 -1.331) 1.793 5.628 ( 0.185 -0.000 42.478) 42.479 6.112 ( 0.215 -0.000 2.762) 2.770 6.256 ( -1.410 0.000 -12.025) 12.108 6.414 ( -0.449 0.000 -37.865) 37.867 8.698 ( 0.085 -0.000 18.916) 18.916 9.014 ( 1.428 -0.000 -13.870) 13.944 13.053 ( 3.460 -0.000 22.517) 22.781 13.258 ( 1.509 -0.000 7.931) 8.073 14.357 ( 6.095 -0.000 4.263) 7.437 14.704 ( 1.472 -0.000 -25.516) 25.559 15.827 ( -11.561 0.000 29.514) 31.698 16.096 ( -0.192 0.000 4.754) 4.757 16.229 ( 0.956 -0.000 -6.225) 6.298 16.335 ( -5.696 0.000 -20.156) 20.945 19.396 ( 0.871 -0.000 6.116) 6.178 19.516 ( 1.080 -0.000 -6.270) 6.363 ======================= Grid point 305 (103/105) ======================= q-point: ( 0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 3.603 5.767 4.781) 8.312 1.472 ( 2.841 4.402 1.491) 5.447 1.612 ( -2.580 4.260 3.527) 6.103 1.678 ( -1.328 0.212 -3.631) 3.872 1.943 ( -3.304 -0.622 2.853) 4.410 2.023 ( 1.851 0.827 -3.870) 4.369 2.143 ( -2.752 5.370 4.776) 7.696 2.298 ( -0.966 2.920 -8.933) 9.448 2.479 ( -4.795 2.259 4.655) 7.054 2.561 ( -4.987 -0.866 -3.547) 6.181 2.868 ( 10.314 -2.110 0.096) 10.528 2.903 ( 7.280 -0.873 -3.671) 8.200 3.186 ( -2.456 -2.894 3.989) 5.506 3.223 ( -3.370 -3.772 0.569) 5.090 3.319 ( -2.837 0.020 -0.197) 2.844 3.354 ( -1.455 -0.814 -2.684) 3.160 4.748 ( -0.553 7.172 16.084) 17.620 4.961 ( 0.389 7.625 -7.024) 10.375 5.041 ( -0.653 1.748 3.495) 3.962 5.103 ( -0.517 -1.208 -2.744) 3.042 5.622 ( 0.150 0.974 42.526) 42.537 6.128 ( -0.126 -3.017 7.933) 8.489 6.350 ( -0.462 -9.869 -15.177) 18.109 6.404 ( -0.445 0.353 -37.313) 37.317 8.700 ( 0.180 -0.029 20.171) 20.171 9.039 ( 0.825 -1.320 -15.009) 15.090 13.070 ( 1.623 1.592 22.639) 22.753 13.268 ( 0.720 0.360 8.774) 8.811 14.387 ( 2.827 2.873 1.865) 4.442 14.711 ( 0.631 0.699 -25.099) 25.117 15.719 ( -5.496 0.238 33.373) 33.824 16.097 ( -0.230 -0.510 3.705) 3.747 16.224 ( -0.182 1.164 -7.872) 7.959 16.304 ( -1.811 -1.695 -19.743) 19.898 19.424 ( 0.351 -2.253 5.797) 6.229 19.540 ( 0.569 -1.555 -6.154) 6.373 ======================= Grid point 306 (104/105) ======================= q-point: (-0.38 -0.62 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -0.000 10.504 4.871) 11.579 1.379 ( -0.000 7.718 -1.164) 7.805 1.502 ( -0.000 6.675 6.131) 9.064 1.642 ( -0.000 4.507 -7.811) 9.018 1.952 ( 0.000 -1.907 4.882) 5.241 2.036 ( -0.000 1.731 6.281) 6.515 2.049 ( 0.000 -0.604 -5.383) 5.417 2.208 ( -0.000 4.052 -11.106) 11.822 2.420 ( -0.000 2.319 5.733) 6.184 2.539 ( -0.000 1.225 -6.163) 6.284 2.963 ( 0.000 -2.738 -0.093) 2.740 2.988 ( 0.000 -3.051 -2.621) 4.022 3.170 ( -0.000 2.210 2.219) 3.131 3.201 ( -0.000 2.200 -0.628) 2.288 3.382 ( 0.000 -5.076 1.829) 5.396 3.409 ( 0.000 -7.467 -1.163) 7.557 4.610 ( -0.000 7.987 13.830) 15.971 4.810 ( -0.000 9.500 -7.945) 12.384 5.011 ( -0.000 1.086 6.577) 6.666 5.120 ( 0.000 -1.150 -4.517) 4.661 5.599 ( -0.000 1.757 42.889) 42.924 6.207 ( 0.000 -5.641 14.457) 15.519 6.386 ( -0.000 1.094 -38.535) 38.550 6.526 ( 0.000 -10.150 -17.818) 20.506 8.703 ( 0.000 -0.145 21.653) 21.654 9.073 ( 0.000 -1.944 -16.680) 16.793 13.039 ( -0.000 3.013 22.975) 23.172 13.262 ( -0.000 0.917 7.062) 7.122 14.329 ( -0.000 5.459 4.434) 7.033 14.696 ( -0.000 1.452 -26.375) 26.415 15.700 ( 0.000 -1.503 34.554) 34.587 16.109 ( 0.000 -0.995 3.284) 3.431 16.205 ( -0.000 0.738 -8.165) 8.198 16.332 ( 0.000 -2.487 -19.752) 19.908 19.474 ( 0.000 -3.189 4.924) 5.867 19.577 ( 0.000 -2.239 -5.748) 6.169 ======================= Grid point 315 (105/105) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 -0.000 5.267) 5.267 1.530 ( 0.000 -0.000 4.121) 4.121 1.622 ( 0.000 -0.000 0.956) 0.956 1.656 ( -0.000 0.000 -2.212) 2.212 1.914 ( 0.000 -0.000 3.390) 3.390 2.037 ( 0.000 -0.000 -8.454) 8.454 2.200 ( 0.000 -0.000 6.545) 6.545 2.330 ( 0.000 -0.000 -5.816) 5.816 2.463 ( 0.000 -0.000 2.645) 2.645 2.511 ( 0.000 -0.000 -2.056) 2.056 2.930 ( 0.000 -0.000 -0.613) 0.613 2.950 ( 0.000 -0.000 -2.752) 2.752 3.128 ( 0.000 -0.000 3.097) 3.097 3.151 ( 0.000 -0.000 -0.107) 0.107 3.295 ( 0.000 -0.000 0.967) 0.967 3.346 ( 0.000 -0.000 -3.266) 3.266 4.812 ( 0.000 -0.000 17.620) 17.620 5.034 ( 0.000 -0.000 -6.616) 6.616 5.059 ( 0.000 -0.000 1.405) 1.405 5.082 ( 0.000 -0.000 -0.970) 0.970 5.631 ( 0.000 -0.000 42.440) 42.440 6.114 ( 0.000 -0.000 1.859) 1.859 6.240 ( 0.000 -0.000 -10.319) 10.319 6.408 ( 0.000 -0.000 -38.052) 38.052 8.701 ( 0.000 -0.000 19.867) 19.867 9.032 ( 0.000 -0.000 -14.558) 14.558 13.094 ( 0.000 -0.000 22.457) 22.457 13.276 ( 0.000 -0.000 10.033) 10.033 14.432 ( 0.000 -0.000 -0.621) 0.621 14.721 ( 0.000 -0.000 -24.205) 24.205 15.685 ( 0.000 -0.000 34.382) 34.382 16.091 ( 0.000 -0.000 3.092) 3.092 16.241 ( 0.000 -0.000 -6.766) 6.766 16.270 ( 0.000 -0.000 -20.715) 20.715 19.407 ( 0.000 -0.000 6.239) 6.239 19.530 ( 0.000 -0.000 -6.420) 6.420 =================== 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 3/20736 10.0 51.579 51.470 31.935 0.000 0.000 -0.000 3/20736 20.0 10.531 11.872 9.924 0.000 0.000 -0.000 3/20736 30.0 4.828 5.521 5.185 0.000 0.000 -0.000 3/20736 40.0 3.095 3.539 3.676 0.000 0.000 -0.000 3/20736 50.0 2.299 2.632 3.092 0.000 0.000 -0.000 3/20736 60.0 1.843 2.119 2.859 0.000 0.000 -0.000 3/20736 70.0 1.546 1.790 2.771 0.000 0.000 -0.000 3/20736 80.0 1.336 1.560 2.737 0.000 0.000 -0.000 3/20736 90.0 1.180 1.390 2.720 0.000 0.000 -0.000 3/20736 100.0 1.059 1.258 2.703 0.000 0.000 -0.000 3/20736 110.0 0.963 1.153 2.680 0.000 0.000 -0.000 3/20736 120.0 0.885 1.068 2.651 0.000 0.000 -0.000 3/20736 130.0 0.821 0.997 2.614 0.000 0.000 -0.000 3/20736 140.0 0.766 0.937 2.573 0.000 0.000 -0.000 3/20736 150.0 0.719 0.886 2.527 0.000 0.000 -0.000 3/20736 160.0 0.679 0.842 2.479 0.000 0.000 -0.000 3/20736 170.0 0.644 0.803 2.428 0.000 0.000 -0.000 3/20736 180.0 0.613 0.769 2.376 0.000 0.000 -0.000 3/20736 190.0 0.585 0.739 2.324 0.000 0.000 -0.000 3/20736 200.0 0.561 0.711 2.271 0.000 0.000 -0.000 3/20736 210.0 0.538 0.686 2.219 0.000 0.000 -0.000 3/20736 220.0 0.518 0.664 2.167 0.000 0.000 -0.000 3/20736 230.0 0.500 0.643 2.117 0.000 0.000 -0.000 3/20736 240.0 0.482 0.624 2.067 0.000 0.000 -0.000 3/20736 250.0 0.467 0.606 2.019 0.000 0.000 -0.000 3/20736 260.0 0.452 0.589 1.972 0.000 0.000 -0.000 3/20736 270.0 0.438 0.573 1.926 0.000 0.000 -0.000 3/20736 280.0 0.426 0.559 1.882 0.000 0.000 -0.000 3/20736 290.0 0.414 0.545 1.839 0.000 0.000 -0.000 3/20736 300.0 0.403 0.532 1.798 0.000 0.000 -0.000 3/20736 310.0 0.392 0.519 1.758 0.000 0.000 -0.000 3/20736 320.0 0.382 0.507 1.719 0.000 0.000 -0.000 3/20736 330.0 0.372 0.496 1.682 0.000 0.000 -0.000 3/20736 340.0 0.363 0.485 1.646 0.000 0.000 -0.000 3/20736 350.0 0.355 0.475 1.611 0.000 0.000 -0.000 3/20736 360.0 0.347 0.465 1.577 0.000 0.000 -0.000 3/20736 370.0 0.339 0.456 1.545 0.000 0.000 -0.000 3/20736 380.0 0.331 0.447 1.513 0.000 0.000 -0.000 3/20736 390.0 0.324 0.438 1.483 0.000 0.000 -0.000 3/20736 400.0 0.318 0.429 1.454 0.000 0.000 -0.000 3/20736 410.0 0.311 0.421 1.426 0.000 0.000 -0.000 3/20736 420.0 0.305 0.414 1.398 0.000 0.000 -0.000 3/20736 430.0 0.299 0.406 1.372 0.000 0.000 -0.000 3/20736 440.0 0.293 0.399 1.346 0.000 0.000 -0.000 3/20736 450.0 0.287 0.392 1.322 0.000 0.000 -0.000 3/20736 460.0 0.282 0.385 1.298 0.000 0.000 -0.000 3/20736 470.0 0.277 0.379 1.275 0.000 0.000 -0.000 3/20736 480.0 0.272 0.372 1.252 0.000 0.000 -0.000 3/20736 490.0 0.267 0.366 1.231 0.000 0.000 -0.000 3/20736 500.0 0.262 0.360 1.210 0.000 0.000 -0.000 3/20736 510.0 0.258 0.354 1.190 0.000 0.000 -0.000 3/20736 520.0 0.254 0.349 1.170 0.000 0.000 -0.000 3/20736 530.0 0.249 0.344 1.151 0.000 0.000 -0.000 3/20736 540.0 0.245 0.338 1.132 0.000 0.000 -0.000 3/20736 550.0 0.241 0.333 1.114 0.000 0.000 -0.000 3/20736 560.0 0.238 0.328 1.097 0.000 0.000 -0.000 3/20736 570.0 0.234 0.323 1.080 0.000 0.000 -0.000 3/20736 580.0 0.230 0.319 1.064 0.000 0.000 -0.000 3/20736 590.0 0.227 0.314 1.048 0.000 0.000 -0.000 3/20736 600.0 0.223 0.310 1.032 0.000 0.000 -0.000 3/20736 610.0 0.220 0.306 1.017 0.000 0.000 -0.000 3/20736 620.0 0.217 0.301 1.002 0.000 0.000 -0.000 3/20736 630.0 0.214 0.297 0.988 0.000 0.000 -0.000 3/20736 640.0 0.211 0.293 0.974 0.000 0.000 -0.000 3/20736 650.0 0.208 0.289 0.961 0.000 0.000 -0.000 3/20736 660.0 0.205 0.286 0.947 0.000 0.000 -0.000 3/20736 670.0 0.202 0.282 0.935 0.000 0.000 -0.000 3/20736 680.0 0.200 0.278 0.922 0.000 0.000 -0.000 3/20736 690.0 0.197 0.275 0.910 0.000 0.000 -0.000 3/20736 700.0 0.194 0.271 0.898 0.000 0.000 -0.000 3/20736 710.0 0.192 0.268 0.887 0.000 0.000 -0.000 3/20736 720.0 0.190 0.265 0.875 0.000 0.000 -0.000 3/20736 730.0 0.187 0.262 0.864 0.000 0.000 -0.000 3/20736 740.0 0.185 0.259 0.853 0.000 0.000 -0.000 3/20736 750.0 0.183 0.256 0.843 0.000 0.000 -0.000 3/20736 760.0 0.180 0.253 0.833 0.000 0.000 -0.000 3/20736 770.0 0.178 0.250 0.823 0.000 0.000 -0.000 3/20736 780.0 0.176 0.247 0.813 0.000 0.000 -0.000 3/20736 790.0 0.174 0.244 0.803 0.000 0.000 -0.000 3/20736 800.0 0.172 0.241 0.794 0.000 0.000 -0.000 3/20736 810.0 0.170 0.239 0.785 0.000 0.000 -0.000 3/20736 820.0 0.168 0.236 0.776 0.000 0.000 -0.000 3/20736 830.0 0.166 0.234 0.767 0.000 0.000 -0.000 3/20736 840.0 0.164 0.231 0.759 0.000 0.000 -0.000 3/20736 850.0 0.163 0.229 0.750 0.000 0.000 -0.000 3/20736 860.0 0.161 0.226 0.742 0.000 0.000 -0.000 3/20736 870.0 0.159 0.224 0.734 0.000 0.000 -0.000 3/20736 880.0 0.157 0.222 0.726 0.000 0.000 -0.000 3/20736 890.0 0.156 0.219 0.719 0.000 0.000 -0.000 3/20736 900.0 0.154 0.217 0.711 0.000 0.000 -0.000 3/20736 910.0 0.153 0.215 0.704 0.000 0.000 -0.000 3/20736 920.0 0.151 0.213 0.697 0.000 0.000 -0.000 3/20736 930.0 0.150 0.211 0.689 0.000 0.000 -0.000 3/20736 940.0 0.148 0.209 0.683 0.000 0.000 -0.000 3/20736 950.0 0.147 0.207 0.676 0.000 0.000 -0.000 3/20736 960.0 0.145 0.205 0.669 0.000 0.000 -0.000 3/20736 970.0 0.144 0.203 0.663 0.000 0.000 -0.000 3/20736 980.0 0.142 0.201 0.656 0.000 0.000 -0.000 3/20736 990.0 0.141 0.199 0.650 0.000 0.000 -0.000 3/20736 1000.0 0.140 0.197 0.644 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:14:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|