----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:17:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.631635730000000 2.631635730000000 6.045200065000000 b 2.631635730000000 -2.631635730000000 6.045200065000000 c 2.631635730000000 2.631635730000000 -6.045200065000000 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 *3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 *5 H 0.46467263213547 0.34563649625693 0.65739081619533 1.008 6 H 0.68824568006160 0.80728181594015 0.34260918380467 1.008 7 H 0.55728181594015 0.71467263213548 0.61903613587855 1.008 8 H 0.09563649625693 0.93824568006160 0.38096386412145 1.008 9 H 0.28532736786453 0.90436350374307 0.84260918380467 1.008 10 H 0.06175431993840 0.44271818405985 0.15739081619533 1.008 11 H 0.19271818405985 0.53532736786453 0.88096386412145 1.008 12 H 0.65436350374307 0.31175431993840 0.11903613587855 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.263271460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.263271460000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.090400130000001 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.00000000000000 0.50000000000000 0.25000000000000 39.098 > 2 3 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 1 4 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 2 *5 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 > 3 6 Al 0.50000000000000 0.00000000000000 0.25000000000000 26.982 > 4 7 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 3 8 Al 0.00000000000000 0.50000000000000 0.75000000000000 26.982 > 4 *9 H 0.26917734015839 0.38821347603694 0.07645915609854 1.008 > 5 10 H 0.73082265984161 0.61178652396306 0.07645915609854 1.008 > 6 11 H 0.38821347603694 0.23082265984161 0.32645915609854 1.008 > 7 12 H 0.61178652396306 0.76917734015839 0.32645915609854 1.008 > 8 13 H 0.73082265984161 0.11178652396306 0.17354084390146 1.008 > 9 14 H 0.26917734015839 0.88821347603694 0.17354084390146 1.008 > 10 15 H 0.11178652396306 0.76917734015839 0.42354084390146 1.008 > 11 16 H 0.88821347603694 0.23082265984161 0.42354084390146 1.008 > 12 17 H 0.76917734015839 0.88821347603694 0.57645915609854 1.008 > 5 18 H 0.23082265984161 0.11178652396306 0.57645915609854 1.008 > 6 19 H 0.88821347603694 0.73082265984161 0.82645915609854 1.008 > 7 20 H 0.11178652396306 0.26917734015839 0.82645915609854 1.008 > 8 21 H 0.23082265984161 0.61178652396306 0.67354084390146 1.008 > 9 22 H 0.76917734015839 0.38821347603694 0.67354084390146 1.008 > 10 23 H 0.61178652396306 0.26917734015839 0.92354084390146 1.008 > 11 24 H 0.38821347603694 0.73082265984161 0.92354084390146 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.526542920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.526542920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.090400130000001 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 1 5 K 0.00000000000000 0.25000000000000 0.25000000000000 39.098 > 2 6 K 0.50000000000000 0.25000000000000 0.25000000000000 39.098 > 2 7 K 0.00000000000000 0.75000000000000 0.25000000000000 39.098 > 2 8 K 0.50000000000000 0.75000000000000 0.25000000000000 39.098 > 2 9 K 0.25000000000000 0.25000000000000 0.50000000000000 39.098 > 1 10 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 > 1 11 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 > 1 12 K 0.75000000000000 0.75000000000000 0.50000000000000 39.098 > 1 13 K 0.25000000000000 0.00000000000000 0.75000000000000 39.098 > 2 14 K 0.75000000000000 0.00000000000000 0.75000000000000 39.098 > 2 15 K 0.25000000000000 0.50000000000000 0.75000000000000 39.098 > 2 16 K 0.75000000000000 0.50000000000000 0.75000000000000 39.098 > 2 *17 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 3 18 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 3 19 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 3 20 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 3 21 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 4 22 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 4 23 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 4 24 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 4 25 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 3 26 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 3 27 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 3 28 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 3 29 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 4 30 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 4 31 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 4 32 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 4 *33 H 0.13458867007920 0.19410673801847 0.07645915609854 1.008 > 5 34 H 0.63458867007920 0.19410673801847 0.07645915609854 1.008 > 5 35 H 0.13458867007920 0.69410673801847 0.07645915609854 1.008 > 5 36 H 0.63458867007920 0.69410673801847 0.07645915609854 1.008 > 5 37 H 0.36541132992080 0.30589326198153 0.07645915609854 1.008 > 6 38 H 0.86541132992080 0.30589326198153 0.07645915609854 1.008 > 6 39 H 0.36541132992080 0.80589326198153 0.07645915609854 1.008 > 6 40 H 0.86541132992080 0.80589326198153 0.07645915609854 1.008 > 6 41 H 0.19410673801847 0.11541132992080 0.32645915609854 1.008 > 7 42 H 0.69410673801847 0.11541132992080 0.32645915609854 1.008 > 7 43 H 0.19410673801847 0.61541132992080 0.32645915609854 1.008 > 7 44 H 0.69410673801847 0.61541132992080 0.32645915609854 1.008 > 7 45 H 0.30589326198153 0.38458867007920 0.32645915609854 1.008 > 8 46 H 0.80589326198153 0.38458867007920 0.32645915609854 1.008 > 8 47 H 0.30589326198153 0.88458867007920 0.32645915609854 1.008 > 8 48 H 0.80589326198153 0.88458867007920 0.32645915609854 1.008 > 8 49 H 0.36541132992080 0.05589326198153 0.17354084390146 1.008 > 9 50 H 0.86541132992080 0.05589326198153 0.17354084390146 1.008 > 9 51 H 0.36541132992080 0.55589326198153 0.17354084390146 1.008 > 9 52 H 0.86541132992080 0.55589326198153 0.17354084390146 1.008 > 9 53 H 0.13458867007920 0.44410673801847 0.17354084390146 1.008 > 10 54 H 0.63458867007920 0.44410673801847 0.17354084390146 1.008 > 10 55 H 0.13458867007920 0.94410673801847 0.17354084390146 1.008 > 10 56 H 0.63458867007920 0.94410673801847 0.17354084390146 1.008 > 10 57 H 0.05589326198153 0.38458867007920 0.42354084390146 1.008 > 11 58 H 0.55589326198153 0.38458867007920 0.42354084390146 1.008 > 11 59 H 0.05589326198153 0.88458867007920 0.42354084390146 1.008 > 11 60 H 0.55589326198153 0.88458867007920 0.42354084390146 1.008 > 11 61 H 0.44410673801847 0.11541132992080 0.42354084390146 1.008 > 12 62 H 0.94410673801847 0.11541132992080 0.42354084390146 1.008 > 12 63 H 0.44410673801847 0.61541132992080 0.42354084390146 1.008 > 12 64 H 0.94410673801847 0.61541132992080 0.42354084390146 1.008 > 12 65 H 0.38458867007920 0.44410673801847 0.57645915609854 1.008 > 5 66 H 0.88458867007920 0.44410673801847 0.57645915609854 1.008 > 5 67 H 0.38458867007920 0.94410673801847 0.57645915609854 1.008 > 5 68 H 0.88458867007920 0.94410673801847 0.57645915609854 1.008 > 5 69 H 0.11541132992080 0.05589326198153 0.57645915609854 1.008 > 6 70 H 0.61541132992080 0.05589326198153 0.57645915609854 1.008 > 6 71 H 0.11541132992080 0.55589326198153 0.57645915609854 1.008 > 6 72 H 0.61541132992080 0.55589326198153 0.57645915609854 1.008 > 6 73 H 0.44410673801847 0.36541132992080 0.82645915609854 1.008 > 7 74 H 0.94410673801847 0.36541132992080 0.82645915609854 1.008 > 7 75 H 0.44410673801847 0.86541132992080 0.82645915609854 1.008 > 7 76 H 0.94410673801847 0.86541132992080 0.82645915609854 1.008 > 7 77 H 0.05589326198153 0.13458867007920 0.82645915609854 1.008 > 8 78 H 0.55589326198153 0.13458867007920 0.82645915609854 1.008 > 8 79 H 0.05589326198153 0.63458867007920 0.82645915609854 1.008 > 8 80 H 0.55589326198153 0.63458867007920 0.82645915609854 1.008 > 8 81 H 0.11541132992080 0.30589326198153 0.67354084390146 1.008 > 9 82 H 0.61541132992080 0.30589326198153 0.67354084390146 1.008 > 9 83 H 0.11541132992080 0.80589326198153 0.67354084390146 1.008 > 9 84 H 0.61541132992080 0.80589326198153 0.67354084390146 1.008 > 9 85 H 0.38458867007920 0.19410673801847 0.67354084390146 1.008 > 10 86 H 0.88458867007920 0.19410673801847 0.67354084390146 1.008 > 10 87 H 0.38458867007920 0.69410673801847 0.67354084390146 1.008 > 10 88 H 0.88458867007920 0.69410673801847 0.67354084390146 1.008 > 10 89 H 0.30589326198153 0.13458867007920 0.92354084390146 1.008 > 11 90 H 0.80589326198153 0.13458867007920 0.92354084390146 1.008 > 11 91 H 0.30589326198153 0.63458867007920 0.92354084390146 1.008 > 11 92 H 0.80589326198153 0.63458867007920 0.92354084390146 1.008 > 11 93 H 0.19410673801847 0.36541132992080 0.92354084390146 1.008 > 12 94 H 0.69410673801847 0.36541132992080 0.92354084390146 1.008 > 12 95 H 0.19410673801847 0.86541132992080 0.92354084390146 1.008 > 12 96 H 0.69410673801847 0.86541132992080 0.92354084390146 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9696407 -0.0000002 0.0000000 0.0000002 2.9696407 0.0000000 0.0000000 0.0000000 3.0531520 -------------------------- Born effective charges -------------------------- 1 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 2 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 3 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 4 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 5 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 6 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 7 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 8 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 9 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 10 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 11 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 12 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.559 Solver_block: 200 / 240 - Time: 0.560 Solver_block: 240 / 240 - Time: 0.279 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.406 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), 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 21:17:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.631635730000000 2.631635730000000 6.045200065000000 b 2.631635730000000 -2.631635730000000 6.045200065000000 c 2.631635730000000 2.631635730000000 -6.045200065000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 5 H 0.46467263213547 0.34563649625693 0.65739081619533 1.008 6 H 0.68824568006160 0.80728181594015 0.34260918380467 1.008 7 H 0.55728181594015 0.71467263213548 0.61903613587855 1.008 8 H 0.09563649625693 0.93824568006160 0.38096386412145 1.008 9 H 0.28532736786453 0.90436350374307 0.84260918380467 1.008 10 H 0.06175431993840 0.44271818405985 0.15739081619533 1.008 11 H 0.19271818405985 0.53532736786453 0.88096386412145 1.008 12 H 0.65436350374307 0.31175431993840 0.11903613587855 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.526542920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.526542920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.090400130000001 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 1 5 K 0.00000000000000 0.25000000000000 0.25000000000000 39.098 > 5 6 K 0.50000000000000 0.25000000000000 0.25000000000000 39.098 > 5 7 K 0.00000000000000 0.75000000000000 0.25000000000000 39.098 > 5 8 K 0.50000000000000 0.75000000000000 0.25000000000000 39.098 > 5 9 K 0.25000000000000 0.25000000000000 0.50000000000000 39.098 > 1 10 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 > 1 11 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 > 1 12 K 0.75000000000000 0.75000000000000 0.50000000000000 39.098 > 1 13 K 0.25000000000000 0.00000000000000 0.75000000000000 39.098 > 5 14 K 0.75000000000000 0.00000000000000 0.75000000000000 39.098 > 5 15 K 0.25000000000000 0.50000000000000 0.75000000000000 39.098 > 5 16 K 0.75000000000000 0.50000000000000 0.75000000000000 39.098 > 5 17 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 17 20 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 17 21 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 21 22 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 17 26 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 17 27 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 17 28 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 17 29 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 21 30 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 21 31 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 21 32 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 21 33 H 0.13458867007920 0.19410673801847 0.07645915609854 1.008 > 33 34 H 0.63458867007920 0.19410673801847 0.07645915609854 1.008 > 33 35 H 0.13458867007920 0.69410673801847 0.07645915609854 1.008 > 33 36 H 0.63458867007920 0.69410673801847 0.07645915609854 1.008 > 33 37 H 0.36541132992080 0.30589326198153 0.07645915609854 1.008 > 37 38 H 0.86541132992080 0.30589326198153 0.07645915609854 1.008 > 37 39 H 0.36541132992080 0.80589326198153 0.07645915609854 1.008 > 37 40 H 0.86541132992080 0.80589326198153 0.07645915609854 1.008 > 37 41 H 0.19410673801847 0.11541132992080 0.32645915609854 1.008 > 41 42 H 0.69410673801847 0.11541132992080 0.32645915609854 1.008 > 41 43 H 0.19410673801847 0.61541132992080 0.32645915609854 1.008 > 41 44 H 0.69410673801847 0.61541132992080 0.32645915609854 1.008 > 41 45 H 0.30589326198153 0.38458867007920 0.32645915609854 1.008 > 45 46 H 0.80589326198153 0.38458867007920 0.32645915609854 1.008 > 45 47 H 0.30589326198153 0.88458867007920 0.32645915609854 1.008 > 45 48 H 0.80589326198153 0.88458867007920 0.32645915609854 1.008 > 45 49 H 0.36541132992080 0.05589326198153 0.17354084390146 1.008 > 49 50 H 0.86541132992080 0.05589326198153 0.17354084390146 1.008 > 49 51 H 0.36541132992080 0.55589326198153 0.17354084390146 1.008 > 49 52 H 0.86541132992080 0.55589326198153 0.17354084390146 1.008 > 49 53 H 0.13458867007920 0.44410673801847 0.17354084390146 1.008 > 53 54 H 0.63458867007920 0.44410673801847 0.17354084390146 1.008 > 53 55 H 0.13458867007920 0.94410673801847 0.17354084390146 1.008 > 53 56 H 0.63458867007920 0.94410673801847 0.17354084390146 1.008 > 53 57 H 0.05589326198153 0.38458867007920 0.42354084390146 1.008 > 57 58 H 0.55589326198153 0.38458867007920 0.42354084390146 1.008 > 57 59 H 0.05589326198153 0.88458867007920 0.42354084390146 1.008 > 57 60 H 0.55589326198153 0.88458867007920 0.42354084390146 1.008 > 57 61 H 0.44410673801847 0.11541132992080 0.42354084390146 1.008 > 61 62 H 0.94410673801847 0.11541132992080 0.42354084390146 1.008 > 61 63 H 0.44410673801847 0.61541132992080 0.42354084390146 1.008 > 61 64 H 0.94410673801847 0.61541132992080 0.42354084390146 1.008 > 61 65 H 0.38458867007920 0.44410673801847 0.57645915609854 1.008 > 33 66 H 0.88458867007920 0.44410673801847 0.57645915609854 1.008 > 33 67 H 0.38458867007920 0.94410673801847 0.57645915609854 1.008 > 33 68 H 0.88458867007920 0.94410673801847 0.57645915609854 1.008 > 33 69 H 0.11541132992080 0.05589326198153 0.57645915609854 1.008 > 37 70 H 0.61541132992080 0.05589326198153 0.57645915609854 1.008 > 37 71 H 0.11541132992080 0.55589326198153 0.57645915609854 1.008 > 37 72 H 0.61541132992080 0.55589326198153 0.57645915609854 1.008 > 37 73 H 0.44410673801847 0.36541132992080 0.82645915609854 1.008 > 41 74 H 0.94410673801847 0.36541132992080 0.82645915609854 1.008 > 41 75 H 0.44410673801847 0.86541132992080 0.82645915609854 1.008 > 41 76 H 0.94410673801847 0.86541132992080 0.82645915609854 1.008 > 41 77 H 0.05589326198153 0.13458867007920 0.82645915609854 1.008 > 45 78 H 0.55589326198153 0.13458867007920 0.82645915609854 1.008 > 45 79 H 0.05589326198153 0.63458867007920 0.82645915609854 1.008 > 45 80 H 0.55589326198153 0.63458867007920 0.82645915609854 1.008 > 45 81 H 0.11541132992080 0.30589326198153 0.67354084390146 1.008 > 49 82 H 0.61541132992080 0.30589326198153 0.67354084390146 1.008 > 49 83 H 0.11541132992080 0.80589326198153 0.67354084390146 1.008 > 49 84 H 0.61541132992080 0.80589326198153 0.67354084390146 1.008 > 49 85 H 0.38458867007920 0.19410673801847 0.67354084390146 1.008 > 53 86 H 0.88458867007920 0.19410673801847 0.67354084390146 1.008 > 53 87 H 0.38458867007920 0.69410673801847 0.67354084390146 1.008 > 53 88 H 0.88458867007920 0.69410673801847 0.67354084390146 1.008 > 53 89 H 0.30589326198153 0.13458867007920 0.92354084390146 1.008 > 57 90 H 0.80589326198153 0.13458867007920 0.92354084390146 1.008 > 57 91 H 0.30589326198153 0.63458867007920 0.92354084390146 1.008 > 57 92 H 0.80589326198153 0.63458867007920 0.92354084390146 1.008 > 57 93 H 0.19410673801847 0.36541132992080 0.92354084390146 1.008 > 61 94 H 0.69410673801847 0.36541132992080 0.92354084390146 1.008 > 61 95 H 0.19410673801847 0.86541132992080 0.92354084390146 1.008 > 61 96 H 0.69410673801847 0.86541132992080 0.92354084390146 1.008 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9696407 -0.0000002 0.0000000 0.0000002 2.9696407 0.0000000 0.0000000 0.0000000 3.0531520 -------------------------- Born effective charges -------------------------- 1 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 2 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 3 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 4 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 5 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 6 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 7 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 8 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 9 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 10 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 11 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 12 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:17:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:17:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.631635730000000 2.631635730000000 6.045200065000000 b 2.631635730000000 -2.631635730000000 6.045200065000000 c 2.631635730000000 2.631635730000000 -6.045200065000000 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 2 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 3 Al 0.50000000000000 0.50000000000000 0.00000000000000 26.982 4 Al 0.25000000000000 0.75000000000000 0.50000000000000 26.982 5 H 0.46467263213547 0.34563649625693 0.65739081619533 1.008 6 H 0.68824568006160 0.80728181594015 0.34260918380467 1.008 7 H 0.55728181594015 0.71467263213548 0.61903613587855 1.008 8 H 0.09563649625693 0.93824568006160 0.38096386412145 1.008 9 H 0.28532736786453 0.90436350374307 0.84260918380467 1.008 10 H 0.06175431993840 0.44271818405985 0.15739081619533 1.008 11 H 0.19271818405985 0.53532736786453 0.88096386412145 1.008 12 H 0.65436350374307 0.31175431993840 0.11903613587855 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.526542920000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.526542920000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.090400130000001 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 1 2 K 0.50000000000000 0.00000000000000 0.00000000000000 39.098 > 1 3 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 1 4 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 1 5 K 0.00000000000000 0.25000000000000 0.25000000000000 39.098 > 5 6 K 0.50000000000000 0.25000000000000 0.25000000000000 39.098 > 5 7 K 0.00000000000000 0.75000000000000 0.25000000000000 39.098 > 5 8 K 0.50000000000000 0.75000000000000 0.25000000000000 39.098 > 5 9 K 0.25000000000000 0.25000000000000 0.50000000000000 39.098 > 1 10 K 0.75000000000000 0.25000000000000 0.50000000000000 39.098 > 1 11 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 > 1 12 K 0.75000000000000 0.75000000000000 0.50000000000000 39.098 > 1 13 K 0.25000000000000 0.00000000000000 0.75000000000000 39.098 > 5 14 K 0.75000000000000 0.00000000000000 0.75000000000000 39.098 > 5 15 K 0.25000000000000 0.50000000000000 0.75000000000000 39.098 > 5 16 K 0.75000000000000 0.50000000000000 0.75000000000000 39.098 > 5 17 Al 0.25000000000000 0.25000000000000 0.00000000000000 26.982 > 17 18 Al 0.75000000000000 0.25000000000000 0.00000000000000 26.982 > 17 19 Al 0.25000000000000 0.75000000000000 0.00000000000000 26.982 > 17 20 Al 0.75000000000000 0.75000000000000 0.00000000000000 26.982 > 17 21 Al 0.25000000000000 0.00000000000000 0.25000000000000 26.982 > 21 22 Al 0.75000000000000 0.00000000000000 0.25000000000000 26.982 > 21 23 Al 0.25000000000000 0.50000000000000 0.25000000000000 26.982 > 21 24 Al 0.75000000000000 0.50000000000000 0.25000000000000 26.982 > 21 25 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 17 26 Al 0.50000000000000 0.00000000000000 0.50000000000000 26.982 > 17 27 Al 0.00000000000000 0.50000000000000 0.50000000000000 26.982 > 17 28 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 > 17 29 Al 0.00000000000000 0.25000000000000 0.75000000000000 26.982 > 21 30 Al 0.50000000000000 0.25000000000000 0.75000000000000 26.982 > 21 31 Al 0.00000000000000 0.75000000000000 0.75000000000000 26.982 > 21 32 Al 0.50000000000000 0.75000000000000 0.75000000000000 26.982 > 21 33 H 0.13458867007920 0.19410673801847 0.07645915609854 1.008 > 33 34 H 0.63458867007920 0.19410673801847 0.07645915609854 1.008 > 33 35 H 0.13458867007920 0.69410673801847 0.07645915609854 1.008 > 33 36 H 0.63458867007920 0.69410673801847 0.07645915609854 1.008 > 33 37 H 0.36541132992080 0.30589326198153 0.07645915609854 1.008 > 37 38 H 0.86541132992080 0.30589326198153 0.07645915609854 1.008 > 37 39 H 0.36541132992080 0.80589326198153 0.07645915609854 1.008 > 37 40 H 0.86541132992080 0.80589326198153 0.07645915609854 1.008 > 37 41 H 0.19410673801847 0.11541132992080 0.32645915609854 1.008 > 41 42 H 0.69410673801847 0.11541132992080 0.32645915609854 1.008 > 41 43 H 0.19410673801847 0.61541132992080 0.32645915609854 1.008 > 41 44 H 0.69410673801847 0.61541132992080 0.32645915609854 1.008 > 41 45 H 0.30589326198153 0.38458867007920 0.32645915609854 1.008 > 45 46 H 0.80589326198153 0.38458867007920 0.32645915609854 1.008 > 45 47 H 0.30589326198153 0.88458867007920 0.32645915609854 1.008 > 45 48 H 0.80589326198153 0.88458867007920 0.32645915609854 1.008 > 45 49 H 0.36541132992080 0.05589326198153 0.17354084390146 1.008 > 49 50 H 0.86541132992080 0.05589326198153 0.17354084390146 1.008 > 49 51 H 0.36541132992080 0.55589326198153 0.17354084390146 1.008 > 49 52 H 0.86541132992080 0.55589326198153 0.17354084390146 1.008 > 49 53 H 0.13458867007920 0.44410673801847 0.17354084390146 1.008 > 53 54 H 0.63458867007920 0.44410673801847 0.17354084390146 1.008 > 53 55 H 0.13458867007920 0.94410673801847 0.17354084390146 1.008 > 53 56 H 0.63458867007920 0.94410673801847 0.17354084390146 1.008 > 53 57 H 0.05589326198153 0.38458867007920 0.42354084390146 1.008 > 57 58 H 0.55589326198153 0.38458867007920 0.42354084390146 1.008 > 57 59 H 0.05589326198153 0.88458867007920 0.42354084390146 1.008 > 57 60 H 0.55589326198153 0.88458867007920 0.42354084390146 1.008 > 57 61 H 0.44410673801847 0.11541132992080 0.42354084390146 1.008 > 61 62 H 0.94410673801847 0.11541132992080 0.42354084390146 1.008 > 61 63 H 0.44410673801847 0.61541132992080 0.42354084390146 1.008 > 61 64 H 0.94410673801847 0.61541132992080 0.42354084390146 1.008 > 61 65 H 0.38458867007920 0.44410673801847 0.57645915609854 1.008 > 33 66 H 0.88458867007920 0.44410673801847 0.57645915609854 1.008 > 33 67 H 0.38458867007920 0.94410673801847 0.57645915609854 1.008 > 33 68 H 0.88458867007920 0.94410673801847 0.57645915609854 1.008 > 33 69 H 0.11541132992080 0.05589326198153 0.57645915609854 1.008 > 37 70 H 0.61541132992080 0.05589326198153 0.57645915609854 1.008 > 37 71 H 0.11541132992080 0.55589326198153 0.57645915609854 1.008 > 37 72 H 0.61541132992080 0.55589326198153 0.57645915609854 1.008 > 37 73 H 0.44410673801847 0.36541132992080 0.82645915609854 1.008 > 41 74 H 0.94410673801847 0.36541132992080 0.82645915609854 1.008 > 41 75 H 0.44410673801847 0.86541132992080 0.82645915609854 1.008 > 41 76 H 0.94410673801847 0.86541132992080 0.82645915609854 1.008 > 41 77 H 0.05589326198153 0.13458867007920 0.82645915609854 1.008 > 45 78 H 0.55589326198153 0.13458867007920 0.82645915609854 1.008 > 45 79 H 0.05589326198153 0.63458867007920 0.82645915609854 1.008 > 45 80 H 0.55589326198153 0.63458867007920 0.82645915609854 1.008 > 45 81 H 0.11541132992080 0.30589326198153 0.67354084390146 1.008 > 49 82 H 0.61541132992080 0.30589326198153 0.67354084390146 1.008 > 49 83 H 0.11541132992080 0.80589326198153 0.67354084390146 1.008 > 49 84 H 0.61541132992080 0.80589326198153 0.67354084390146 1.008 > 49 85 H 0.38458867007920 0.19410673801847 0.67354084390146 1.008 > 53 86 H 0.88458867007920 0.19410673801847 0.67354084390146 1.008 > 53 87 H 0.38458867007920 0.69410673801847 0.67354084390146 1.008 > 53 88 H 0.88458867007920 0.69410673801847 0.67354084390146 1.008 > 53 89 H 0.30589326198153 0.13458867007920 0.92354084390146 1.008 > 57 90 H 0.80589326198153 0.13458867007920 0.92354084390146 1.008 > 57 91 H 0.30589326198153 0.63458867007920 0.92354084390146 1.008 > 57 92 H 0.80589326198153 0.63458867007920 0.92354084390146 1.008 > 57 93 H 0.19410673801847 0.36541132992080 0.92354084390146 1.008 > 61 94 H 0.69410673801847 0.36541132992080 0.92354084390146 1.008 > 61 95 H 0.19410673801847 0.86541132992080 0.92354084390146 1.008 > 61 96 H 0.69410673801847 0.86541132992080 0.92354084390146 1.008 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9696407 -0.0000002 0.0000000 0.0000002 2.9696407 0.0000000 0.0000000 0.0000000 3.0531520 -------------------------- Born effective charges -------------------------- 1 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 2 K 1.1706665 -0.0130061 0.0000000 0.0130061 1.1706665 0.0000000 0.0000000 0.0000000 1.0465496 3 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 4 Al 1.4381978 0.0148364 0.0000000 -0.0148364 1.4381978 0.0000000 0.0000000 0.0000000 1.7006349 5 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 6 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 7 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 8 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 9 H -0.6961268 -0.0672077 0.1076555 -0.0662925 -0.6083053 0.0832807 0.1123312 0.0644636 -0.6867961 10 H -0.6961268 -0.0672077 -0.1076555 -0.0662925 -0.6083053 -0.0832807 -0.1123312 -0.0644636 -0.6867961 11 H -0.6083053 0.0662925 0.0832807 0.0672077 -0.6961268 -0.1076555 0.0644636 -0.1123312 -0.6867961 12 H -0.6083053 0.0662925 -0.0832807 0.0672077 -0.6961268 0.1076555 -0.0644636 0.1123312 -0.6867961 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (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 ... Generalized regular grid: [ 1 9 72 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 4 4 0 ] 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: 0.75, Number of G-points: 293, Lambda: 0.14 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: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 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 2.366 ( -0.000 0.000 -0.000) 0.000 2.514 ( 0.000 -0.000 -0.000) 0.000 2.514 ( 0.000 0.000 0.000) 0.000 3.784 ( -0.000 0.000 -0.000) 0.000 3.784 ( 0.000 -0.000 0.000) 0.000 4.485 ( -0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 -0.000) 0.000 4.927 ( -0.000 0.000 -0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 -0.000) 0.000 8.950 ( 0.000 -0.000 0.000) 0.000 10.895 ( 0.000 0.000 -0.000) 0.000 12.107 ( -0.000 0.000 0.000) 0.000 12.107 ( -0.000 0.000 0.000) 0.000 18.127 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.831 ( 0.000 -0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 -0.000) 0.000 22.992 ( 0.000 0.000 -0.000) 0.000 23.898 ( 0.000 0.000 0.000) 0.000 24.589 ( 0.000 0.000 0.000) 0.000 24.603 ( 0.000 0.000 0.000) 0.000 51.060 ( 0.000 0.000 -0.000) 0.000 51.283 ( 0.000 0.000 0.000) 0.000 51.283 ( -0.000 0.000 0.000) 0.000 51.446 ( -0.000 0.000 -0.000) 0.000 51.446 ( 0.000 0.000 0.000) 0.000 51.831 ( 0.000 0.000 -0.000) 0.000 53.438 ( 0.000 0.000 0.000) 0.000 53.695 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 29.299 -5.853 0.000) 29.878 0.808 ( 19.218 18.407 0.000) 26.611 1.508 ( 26.229 37.328 -0.000) 45.622 2.424 ( 0.682 7.373 -0.000) 7.404 2.496 ( -3.321 1.593 -0.000) 3.684 2.780 ( 12.441 7.796 0.000) 14.682 3.938 ( 15.445 -3.505 0.000) 15.837 4.365 ( -5.414 -4.202 -0.000) 6.854 4.488 ( 0.185 -0.663 0.000) 0.688 4.931 ( 0.667 0.196 0.000) 0.695 5.076 ( -21.960 4.771 -0.000) 22.472 5.391 ( 4.687 -10.693 0.000) 11.675 8.484 ( -6.126 -12.835 0.000) 14.222 9.459 ( 14.119 12.970 0.000) 19.172 9.639 ( 10.828 17.258 -0.000) 20.373 10.723 ( -8.080 -8.029 -0.000) 11.391 12.102 ( -1.791 1.099 -0.000) 2.102 12.173 ( 4.192 1.335 0.000) 4.400 18.217 ( 4.140 4.278 -0.000) 5.953 20.834 ( -5.958 -19.855 0.000) 20.730 22.127 ( -1.601 18.911 -0.000) 18.979 22.721 ( -4.788 -4.486 -0.000) 6.561 22.834 ( -0.216 0.180 -0.000) 0.281 22.947 ( -1.146 -2.620 0.000) 2.859 23.956 ( 1.919 1.932 -0.000) 2.723 24.212 ( 11.080 -21.214 0.000) 23.933 24.605 ( 0.445 -0.057 0.000) 0.449 24.676 ( -11.255 15.837 -0.000) 19.429 51.000 ( -2.257 -1.043 -0.000) 2.486 51.303 ( 2.147 -0.050 0.000) 2.148 51.397 ( 3.732 4.536 -0.000) 5.874 51.421 ( -0.360 -1.729 0.000) 1.766 51.815 ( -1.590 0.079 -0.000) 1.592 52.964 ( -2.988 -3.365 0.000) 4.500 53.462 ( 0.969 1.081 -0.000) 1.452 53.692 ( -0.139 -0.160 0.000) 0.212 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 22.069 -4.543 0.000) 22.532 1.562 ( 17.225 15.633 0.000) 23.261 2.340 ( 8.988 7.697 0.000) 11.834 2.452 ( -4.308 2.579 -0.000) 5.021 2.987 ( 13.872 27.419 -0.000) 30.728 3.030 ( 1.628 -6.421 0.000) 6.624 4.114 ( 9.331 -10.791 0.000) 14.266 4.261 ( 0.939 3.905 -0.000) 4.016 4.429 ( -2.257 -2.823 0.000) 3.614 4.610 ( -22.907 1.619 -0.000) 22.964 4.981 ( 3.207 0.483 0.000) 3.243 5.231 ( -0.783 -6.516 0.000) 6.562 8.155 ( -0.954 -10.480 0.000) 10.523 10.190 ( 20.303 19.957 0.000) 28.469 10.236 ( -14.802 -14.420 -0.000) 20.664 10.296 ( 14.071 17.900 -0.000) 22.768 12.063 ( -3.692 0.437 -0.000) 3.718 12.287 ( 3.799 0.070 0.000) 3.800 18.471 ( 7.182 7.992 -0.000) 10.745 20.309 ( -5.329 -17.315 0.000) 18.116 22.359 ( -9.477 12.093 -0.000) 15.364 22.514 ( -5.418 -3.893 -0.000) 6.672 22.841 ( -0.920 1.751 -0.000) 1.979 22.891 ( 3.159 -2.763 0.000) 4.196 23.994 ( -0.498 -0.447 -0.000) 0.669 24.010 ( 10.469 -18.905 0.000) 21.610 24.631 ( 2.483 -0.414 0.000) 2.517 24.733 ( -11.879 12.741 -0.000) 17.420 50.967 ( -1.785 2.216 -0.000) 2.846 51.372 ( -0.276 -2.171 0.000) 2.188 51.383 ( 5.020 0.748 0.000) 5.075 51.573 ( 4.317 3.389 0.000) 5.488 51.770 ( -2.905 0.372 -0.000) 2.929 52.781 ( -4.931 -5.824 0.000) 7.631 53.513 ( 0.961 1.653 -0.000) 1.912 53.684 ( -0.122 -0.318 0.000) 0.340 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 12.821 -0.152 0.000) 12.821 2.074 ( 1.805 7.521 -0.000) 7.735 2.482 ( 5.760 -8.142 0.000) 9.973 2.599 ( 8.171 -1.294 0.000) 8.273 2.644 ( -6.483 -6.063 -0.000) 8.876 3.324 ( -15.154 -4.647 -0.000) 15.851 4.051 ( 1.629 9.781 -0.000) 9.916 4.217 ( -8.078 -2.627 -0.000) 8.495 4.405 ( -0.886 -0.094 -0.000) 0.891 4.576 ( 8.314 7.035 0.000) 10.891 5.062 ( 4.226 -0.790 0.000) 4.299 5.149 ( -0.415 0.010 -0.000) 0.415 8.053 ( 5.651 -2.805 0.000) 6.309 9.541 ( -18.071 -16.920 -0.000) 24.755 10.932 ( 11.750 15.638 -0.000) 19.560 11.030 ( 20.606 16.082 0.000) 26.139 11.956 ( -5.526 -1.503 -0.000) 5.727 12.287 ( -1.012 -3.504 0.000) 3.647 18.831 ( 8.188 10.012 -0.000) 12.934 19.893 ( -4.152 -12.925 0.000) 13.575 22.289 ( -7.497 1.627 -0.000) 7.671 22.346 ( -4.828 -1.741 -0.000) 5.132 22.876 ( -2.190 4.804 -0.000) 5.279 22.954 ( 4.223 -0.675 0.000) 4.277 23.863 ( 6.052 -11.476 0.000) 12.974 23.925 ( -1.562 -3.212 0.000) 3.572 24.679 ( 3.709 -1.659 0.000) 4.064 24.730 ( -9.695 9.080 -0.000) 13.283 51.012 ( -0.918 4.488 -0.000) 4.581 51.313 ( -0.668 -2.755 0.000) 2.835 51.557 ( 6.990 3.646 0.000) 7.883 51.706 ( 4.925 -0.060 0.000) 4.925 51.726 ( -2.958 1.761 -0.000) 3.443 52.519 ( -6.579 -7.320 0.000) 9.842 53.568 ( 0.460 2.052 -0.000) 2.103 53.673 ( 0.017 -0.697 0.000) 0.697 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.432 7.193 -0.000) 7.593 1.829 ( -3.568 -18.852 0.000) 19.186 2.233 ( -6.228 4.685 -0.000) 7.793 2.396 ( -3.678 -14.344 0.000) 14.808 2.960 ( 12.439 4.725 0.000) 13.306 3.114 ( -3.664 4.678 -0.000) 5.942 3.994 ( -6.466 -1.317 -0.000) 6.599 4.009 ( -4.446 -4.073 -0.000) 6.030 4.642 ( 5.368 8.410 -0.000) 9.977 4.780 ( 1.247 0.563 0.000) 1.368 5.123 ( 4.357 -1.734 0.000) 4.689 5.158 ( -1.835 1.670 -0.000) 2.481 8.289 ( 12.343 6.825 0.000) 14.104 8.829 ( -16.834 -14.096 -0.000) 21.956 11.427 ( 9.336 10.068 -0.000) 13.730 11.681 ( 14.247 10.524 0.000) 17.712 11.757 ( -7.284 -4.880 -0.000) 8.768 12.089 ( -7.365 -6.868 -0.000) 10.070 19.212 ( 7.101 10.273 -0.000) 12.488 19.557 ( -5.027 -10.529 0.000) 11.668 22.205 ( -0.610 -0.669 0.000) 0.905 22.235 ( -3.632 -0.112 -0.000) 3.634 22.944 ( -3.671 7.056 -0.000) 7.954 22.991 ( 4.337 -4.732 0.000) 6.419 23.792 ( 1.210 -2.125 0.000) 2.445 23.827 ( -0.327 -3.500 0.000) 3.516 24.708 ( 4.265 -3.464 0.000) 5.494 24.719 ( -6.329 5.925 -0.000) 8.669 51.107 ( 0.514 4.653 -0.000) 4.681 51.220 ( -1.324 -3.902 0.000) 4.121 51.724 ( -1.915 2.623 -0.000) 3.248 51.725 ( 1.356 0.479 0.000) 1.438 51.873 ( 10.704 3.402 0.000) 11.232 52.202 ( -8.696 -7.157 -0.000) 11.262 53.617 ( 0.014 2.029 -0.000) 2.029 53.652 ( 0.111 -1.416 0.000) 1.421 ======================= Grid point 9 (6/105) ======================= q-point: (-0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -0.681 -22.009 6.585) 22.983 1.365 ( 18.182 -24.146 -12.058) 32.543 2.190 ( -8.238 -32.584 -23.644) 41.093 2.473 ( -11.381 -5.019 3.930) 13.044 2.627 ( 1.840 -3.829 -3.226) 5.334 2.874 ( 3.991 -12.649 0.071) 13.264 3.903 ( 8.443 0.958 1.269) 8.591 4.290 ( 1.106 6.364 -0.762) 6.504 4.414 ( 0.783 1.883 2.471) 3.204 4.683 ( -9.846 -1.513 14.393) 17.504 4.964 ( -1.459 4.047 4.011) 5.882 5.262 ( 4.342 -1.339 14.904) 15.581 8.591 ( 7.350 3.385 -11.681) 14.210 9.360 ( -6.050 -8.653 -1.218) 10.628 9.984 ( 1.159 -19.087 -2.455) 19.279 10.587 ( -1.244 7.503 1.444) 7.741 11.974 ( -1.080 2.608 7.067) 7.610 12.140 ( 1.058 -4.913 10.242) 11.408 18.681 ( -0.606 7.351 -30.318) 31.202 21.108 ( 24.915 3.643 -0.274) 25.181 21.637 ( -29.334 5.561 9.061) 31.201 22.607 ( 0.030 4.608 2.882) 5.435 22.862 ( 2.350 0.147 -1.611) 2.853 22.959 ( -1.613 3.794 -4.696) 6.249 23.505 ( 8.949 -10.103 27.405) 30.548 23.976 ( -1.785 -5.155 5.150) 7.503 24.660 ( 0.568 0.753 -6.821) 6.886 25.287 ( -3.696 7.953 -18.710) 20.663 51.051 ( -1.602 3.257 -5.754) 6.803 51.303 ( 2.120 -1.717 2.274) 3.551 51.386 ( 1.812 -2.216 2.802) 4.006 51.456 ( 0.243 -0.953 -1.637) 1.910 51.760 ( -2.850 4.731 -3.500) 6.539 52.934 ( 0.379 -0.135 4.495) 4.513 53.496 ( -0.153 -1.619 -1.188) 2.014 53.680 ( 0.147 0.439 0.589) 0.749 ======================= Grid point 10 (7/105) ======================= q-point: (-0.24 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 13.034 -6.304 -11.478) 18.476 0.939 ( 2.492 -26.507 -15.836) 30.978 1.781 ( 31.391 -22.379 -21.224) 44.008 2.395 ( 2.438 5.545 2.271) 6.469 2.635 ( 6.075 -2.100 -11.817) 13.452 2.700 ( 5.875 -13.494 6.532) 16.102 3.970 ( -2.499 -12.966 -2.237) 13.392 4.340 ( -4.478 4.751 2.296) 6.921 4.456 ( -0.608 -1.135 5.363) 5.516 4.591 ( 13.602 1.415 20.349) 24.518 5.030 ( -0.042 6.154 6.575) 9.005 5.188 ( -3.245 -5.653 14.567) 15.959 8.596 ( -11.715 6.293 -10.872) 17.177 9.406 ( 15.863 -10.359 -0.312) 18.948 9.680 ( 14.729 -15.973 -6.560) 22.696 10.678 ( -6.877 7.537 4.486) 11.145 12.029 ( 3.002 0.611 9.249) 9.743 12.050 ( 1.060 -4.690 11.412) 12.384 18.889 ( -16.704 17.720 -46.491) 52.483 20.810 ( -18.676 6.998 2.175) 20.062 22.093 ( 19.135 1.598 3.162) 19.460 22.691 ( -1.469 -3.218 14.800) 15.217 22.745 ( -4.847 4.686 -1.942) 7.016 23.024 ( 1.372 0.193 -4.448) 4.659 23.323 ( 11.128 -22.864 33.603) 42.140 23.891 ( 4.419 -1.997 6.270) 7.927 24.666 ( -1.846 1.451 -8.654) 8.967 25.403 ( -12.016 15.067 -24.578) 31.233 51.108 ( -4.573 5.908 -7.494) 10.582 51.288 ( -0.206 -2.057 0.958) 2.278 51.350 ( 3.801 -3.528 3.512) 6.263 51.445 ( -1.999 0.457 -1.732) 2.684 51.854 ( 0.702 1.882 -3.692) 4.203 52.884 ( -0.085 -0.356 6.633) 6.643 53.477 ( 0.944 -0.860 -1.332) 1.846 53.687 ( -0.124 -0.001 0.543) 0.557 ======================= Grid point 12 (8/105) ======================= q-point: (-0.24 -0.01 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 17.080 2.166 12.459) 21.252 1.998 ( 17.084 -2.019 -10.658) 20.237 2.320 ( 1.669 -1.891 7.006) 7.446 2.762 ( 13.623 -3.912 -5.010) 15.033 2.936 ( 21.193 17.117 -19.065) 33.250 3.113 ( 0.645 -4.195 7.178) 8.339 3.886 ( -11.268 2.345 8.545) 14.335 4.188 ( -9.320 2.336 -3.009) 10.068 4.366 ( -1.504 -0.548 2.215) 2.733 4.513 ( 2.998 -4.377 -1.004) 5.400 4.955 ( -0.662 2.659 3.866) 4.739 5.208 ( -4.048 -3.139 7.505) 9.086 8.552 ( 4.117 -11.397 -8.389) 14.739 9.742 ( 6.163 18.007 7.661) 20.517 10.174 ( -7.779 0.799 1.598) 7.982 10.613 ( 17.902 3.294 -7.620) 19.733 11.902 ( -5.618 2.652 1.815) 6.473 12.233 ( 0.901 0.919 8.424) 8.521 18.692 ( 4.835 2.477 -13.796) 14.827 20.767 ( -0.828 -30.542 5.846) 31.108 21.689 ( -8.692 26.224 0.437) 27.630 22.485 ( -3.723 -2.292 -0.474) 4.397 22.797 ( -0.505 -4.231 1.545) 4.532 22.944 ( -2.335 4.043 -5.536) 7.242 23.792 ( -1.448 8.177 15.957) 17.988 24.019 ( 2.941 -1.540 5.024) 6.021 24.638 ( 1.414 -3.965 -2.160) 4.731 25.049 ( -1.141 -7.497 -15.119) 16.914 50.977 ( -0.097 -1.490 -3.760) 4.045 51.369 ( -0.794 1.620 0.547) 1.885 51.475 ( 3.017 -0.796 -0.261) 3.131 51.537 ( 3.256 5.431 3.271) 7.128 51.627 ( -5.206 1.133 -1.438) 5.518 52.854 ( -1.560 -5.907 1.488) 6.288 53.528 ( 1.277 0.170 -0.954) 1.603 53.675 ( -0.581 0.377 0.210) 0.724 ======================= Grid point 13 (9/105) ======================= q-point: (-0.24 -0.01 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 7.017 -3.568 -0.745) 7.907 2.064 ( 3.924 -6.081 4.820) 8.696 2.543 ( 3.415 1.583 6.814) 7.785 2.737 ( -4.683 -10.094 4.651) 12.060 2.944 ( 2.860 -0.564 -0.844) 3.035 3.284 ( 2.506 -16.873 -7.661) 18.700 3.880 ( 6.059 16.217 -5.916) 18.295 4.065 ( -7.662 -0.672 -0.090) 7.692 4.385 ( -0.634 0.032 1.460) 1.592 4.574 ( 2.813 6.258 -2.308) 7.239 4.953 ( -5.062 3.199 6.003) 8.479 5.126 ( -2.191 1.985 -0.926) 3.098 8.432 ( 8.364 -9.939 -3.983) 13.587 9.517 ( -10.732 -16.770 7.280) 21.199 10.631 ( 6.029 26.221 1.205) 26.932 11.116 ( 12.476 9.496 -0.447) 15.685 11.853 ( -6.148 4.706 -5.813) 9.682 12.188 ( -5.629 -0.668 5.041) 7.586 18.923 ( 8.131 5.307 -4.720) 10.796 20.185 ( -1.934 -21.964 4.804) 22.566 21.980 ( -2.793 13.115 -0.345) 13.413 22.361 ( -3.006 -2.800 -4.175) 5.857 22.745 ( -0.671 0.618 3.866) 3.972 22.995 ( -0.354 4.052 -5.782) 7.070 23.801 ( -6.496 2.160 9.007) 11.313 24.027 ( 1.717 -3.529 3.275) 5.111 24.578 ( 2.265 -3.671 0.222) 4.319 24.946 ( 2.895 -4.916 -8.721) 10.422 50.988 ( 1.604 0.861 -2.805) 3.345 51.330 ( -1.921 -1.597 0.179) 2.504 51.528 ( -5.708 6.145 -0.373) 8.395 51.581 ( 1.077 1.858 0.260) 2.163 51.773 ( 7.974 3.430 3.583) 9.391 52.636 ( -2.837 -10.182 -0.358) 10.576 53.556 ( 0.545 0.718 -0.833) 1.227 53.673 ( -0.342 0.333 0.143) 0.499 ======================= Grid point 14 (10/105) ======================= q-point: ( 0.76 -0.01 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -5.740 -5.920 -8.479) 11.827 2.043 ( 5.540 -6.328 0.504) 8.426 2.139 ( -4.643 -10.824 11.871) 16.722 2.597 ( -5.818 -5.179 -0.874) 7.838 3.032 ( 3.978 2.479 2.862) 5.492 3.219 ( 9.425 -7.879 -2.552) 12.547 3.924 ( -1.343 -0.734 -2.821) 3.210 4.056 ( 0.545 -2.255 -3.615) 4.296 4.570 ( 4.612 10.344 -1.144) 11.383 4.689 ( -5.874 5.461 4.092) 9.004 4.946 ( -5.263 5.263 0.943) 7.502 5.128 ( -3.197 3.273 -2.511) 5.219 8.522 ( 10.239 -1.679 3.746) 11.031 8.950 ( -3.677 -18.743 -2.935) 19.325 11.186 ( 0.347 17.849 7.023) 19.184 11.426 ( -0.616 6.544 6.593) 9.310 11.850 ( -5.347 4.971 -10.064) 12.433 12.002 ( -7.312 -0.371 -3.598) 8.158 19.219 ( 8.046 5.471 1.563) 9.855 19.744 ( -2.259 -15.427 1.854) 15.702 22.123 ( -0.069 2.111 0.603) 2.197 22.282 ( 0.782 -0.044 -5.319) 5.376 22.764 ( -2.443 3.288 1.423) 4.337 23.118 ( 4.082 3.189 -3.034) 6.004 23.669 ( -6.828 0.297 7.419) 10.087 23.938 ( -1.075 -4.880 -2.847) 5.752 24.593 ( 1.566 0.298 0.844) 1.804 24.935 ( 5.972 -4.922 -1.505) 7.883 51.065 ( 1.677 2.538 -1.255) 3.291 51.257 ( -0.814 -1.870 0.319) 2.065 51.540 ( -4.522 5.830 -1.160) 7.469 51.656 ( -1.170 4.121 0.159) 4.287 51.995 ( 6.352 0.227 6.235) 8.904 52.336 ( -1.605 -10.645 -3.940) 11.464 53.583 ( -0.088 1.394 -0.428) 1.461 53.673 ( 0.166 -0.319 0.200) 0.412 ======================= Grid point 15 (11/105) ======================= q-point: ( 0.76 -0.01 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 1.790 14.964 -7.585) 16.872 1.853 ( 4.588 -15.714 -7.528) 18.018 2.152 ( 4.877 1.333 11.947) 12.973 2.590 ( 7.136 0.204 -0.909) 7.196 2.942 ( -4.179 -6.586 -3.831) 8.690 3.224 ( 3.077 -1.193 0.636) 3.361 4.004 ( 4.182 3.120 0.168) 5.220 4.125 ( 7.157 0.902 -0.693) 7.247 4.598 ( -9.170 1.817 6.038) 11.129 4.748 ( -2.727 -0.537 0.259) 2.792 4.878 ( -7.461 4.451 -2.482) 9.035 5.128 ( -3.348 2.920 -2.089) 4.909 8.402 ( -2.148 -12.807 -2.078) 13.151 9.001 ( 18.486 3.888 0.365) 18.894 11.244 ( -15.291 -0.466 7.045) 16.842 11.357 ( -10.435 0.345 5.742) 11.916 11.841 ( -2.222 7.231 -9.739) 12.332 12.020 ( -1.070 6.110 -3.255) 7.005 19.280 ( -4.948 -7.666 5.057) 10.432 19.626 ( 11.260 -0.092 -4.056) 11.969 22.133 ( -1.058 3.048 1.906) 3.748 22.368 ( 5.767 -0.759 -2.871) 6.487 22.752 ( -6.481 3.941 1.113) 7.667 23.194 ( 3.674 -5.970 -0.379) 7.020 23.605 ( -4.368 4.451 2.949) 6.898 23.831 ( -1.081 -0.170 -4.529) 4.659 24.620 ( 0.675 -0.359 1.657) 1.825 24.998 ( 8.414 -3.691 0.923) 9.235 51.134 ( 0.321 1.645 2.409) 2.935 51.240 ( 2.745 -1.749 -1.705) 3.675 51.571 ( -3.533 4.694 -0.342) 5.885 51.697 ( -3.190 4.276 -2.078) 5.725 51.808 ( -8.688 -8.991 3.348) 12.943 52.383 ( 11.250 -0.101 -1.800) 11.393 53.609 ( -0.401 1.249 0.586) 1.437 53.661 ( 0.152 -1.065 -0.338) 1.128 ======================= Grid point 16 (12/105) ======================= q-point: (-0.24 -0.01 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 6.576 -18.449 -11.655) 22.792 2.052 ( -7.924 -7.260 14.159) 17.776 2.118 ( 8.434 18.450 -2.069) 20.391 2.717 ( -2.404 -4.159 -11.032) 12.032 2.796 ( 10.537 -2.118 0.446) 10.757 3.468 ( 8.699 6.068 -2.365) 10.867 4.146 ( 1.515 0.582 3.745) 4.082 4.290 ( 3.280 0.110 0.100) 3.283 4.399 ( -6.282 1.522 1.680) 6.678 4.438 ( -10.572 -7.988 1.841) 13.378 4.872 ( -3.760 3.455 2.603) 5.732 5.125 ( -1.234 1.969 -0.106) 2.326 8.209 ( 5.480 -7.560 -10.089) 13.746 9.554 ( 17.177 10.260 7.263) 21.286 10.680 ( -25.046 -8.321 4.147) 26.716 11.076 ( -8.637 -8.507 -4.612) 12.971 11.930 ( -4.609 6.818 -3.549) 8.963 12.137 ( 0.482 4.355 4.356) 6.178 18.972 ( -5.575 -8.851 -3.622) 11.069 19.951 ( 16.281 2.308 -2.407) 16.619 22.240 ( -2.128 8.910 6.926) 11.484 22.471 ( 6.355 -1.063 -1.360) 6.585 22.634 ( -10.838 2.294 1.684) 11.206 23.086 ( -1.314 -4.380 -3.095) 5.522 23.560 ( -2.141 -1.035 6.383) 6.812 23.939 ( 2.309 5.447 -6.122) 8.514 24.612 ( 1.143 -1.638 1.888) 2.748 25.113 ( 7.972 -2.420 -1.279) 8.429 51.156 ( 2.801 -3.246 2.286) 4.859 51.263 ( 0.583 0.249 -0.201) 0.665 51.450 ( -8.659 -3.277 0.475) 9.271 51.597 ( -1.941 0.657 1.129) 2.340 51.716 ( -3.547 4.639 -4.235) 7.214 52.629 ( 9.982 1.332 -0.025) 10.071 53.597 ( -0.554 -1.535 0.724) 1.785 53.654 ( -0.288 0.767 -0.467) 0.943 ======================= Grid point 17 (13/105) ======================= q-point: (-0.24 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 7.243 -20.104 -5.737) 22.126 1.609 ( -1.760 -19.063 3.245) 19.417 2.525 ( -0.808 7.513 -0.405) 7.567 2.586 ( 0.875 -4.084 -13.533) 14.163 2.942 ( 6.660 -8.024 7.114) 12.623 3.319 ( -12.369 -20.063 -8.398) 25.021 3.913 ( -5.030 -3.795 -2.446) 6.759 4.151 ( -4.917 3.668 2.866) 6.771 4.373 ( 0.738 1.799 2.190) 2.929 4.678 ( 4.432 10.673 6.554) 13.286 4.873 ( -0.155 2.011 5.435) 5.797 5.165 ( 3.062 0.271 5.797) 6.562 8.315 ( 12.149 -0.994 -12.820) 17.690 9.934 ( -24.220 -9.994 0.653) 26.209 10.052 ( 8.289 7.153 11.536) 15.905 10.675 ( -4.219 -13.495 -10.598) 17.670 11.955 ( -4.836 5.514 2.985) 7.919 12.187 ( 0.922 -1.170 7.569) 7.714 18.717 ( -3.246 -5.250 -13.899) 15.208 20.433 ( 24.088 3.712 -1.982) 24.453 22.177 ( -27.107 9.187 11.543) 30.862 22.526 ( 0.942 1.144 0.902) 1.735 22.653 ( 9.236 2.561 -0.177) 9.586 22.992 ( -3.557 0.398 -5.931) 6.927 23.514 ( 1.881 -2.923 13.196) 13.646 24.042 ( -0.056 1.080 -2.362) 2.598 24.622 ( 2.454 -0.887 -1.652) 3.088 25.214 ( 3.997 -0.215 -6.925) 7.998 51.084 ( -0.957 -3.489 -2.288) 4.280 51.302 ( -0.112 1.706 1.982) 2.618 51.324 ( 0.647 -0.366 1.470) 1.647 51.540 ( -1.720 -2.477 1.355) 3.306 51.741 ( -3.979 4.958 -5.021) 8.101 52.838 ( 6.461 1.488 1.586) 6.818 53.544 ( -0.641 -1.940 -0.457) 2.093 53.667 ( -0.168 0.819 0.375) 0.916 ======================= Grid point 18 (14/105) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.187 -4.783 -2.255) 5.291 2.242 ( -3.145 1.735 2.221) 4.223 2.477 ( 7.862 -16.078 -8.691) 19.896 2.773 ( -1.877 11.152 3.676) 11.891 3.067 ( -0.769 -5.133 1.925) 5.535 3.621 ( -0.227 -3.610 -2.845) 4.602 3.884 ( -4.032 -5.279 -1.744) 6.868 4.094 ( -3.585 -3.479 -4.342) 6.619 4.298 ( 0.920 -0.467 3.042) 3.212 4.444 ( 3.914 9.390 2.640) 10.510 4.727 ( 1.290 -1.011 4.509) 4.798 5.056 ( -0.075 -0.538 3.414) 3.457 8.923 ( 2.800 -1.246 -7.095) 7.729 9.566 ( -3.961 1.671 1.018) 4.418 9.992 ( 2.220 0.068 -0.503) 2.277 11.013 ( -0.963 -5.750 -3.317) 6.707 11.707 ( -0.306 0.613 4.901) 4.948 12.064 ( 0.272 -1.918 4.899) 5.268 18.939 ( -0.177 1.638 -5.887) 6.114 21.079 ( 20.892 0.254 -4.129) 21.297 21.172 ( -21.679 2.515 7.246) 22.995 22.486 ( -0.417 0.613 -0.169) 0.760 22.815 ( 1.842 2.116 0.092) 2.806 22.911 ( -0.336 -0.075 -0.281) 0.445 23.501 ( 1.366 -2.626 1.523) 3.329 24.027 ( -1.157 -1.337 2.160) 2.791 24.731 ( 0.273 1.283 -2.970) 3.247 25.274 ( -0.533 1.659 -0.995) 2.007 51.139 ( -2.209 -1.369 -2.994) 3.965 51.244 ( 2.864 2.244 1.695) 4.014 51.386 ( 3.296 -1.750 1.651) 4.081 51.537 ( -0.754 -0.775 0.062) 1.083 51.644 ( -3.555 2.713 -1.891) 4.856 52.865 ( 0.232 -0.149 1.183) 1.215 53.575 ( -0.061 -0.651 -0.547) 0.852 53.642 ( 0.202 0.414 0.452) 0.646 ======================= Grid point 19 (15/105) ======================= q-point: (-0.47 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 3.794 -13.925 -2.891) 14.719 2.117 ( -6.658 2.821 5.806) 9.273 2.278 ( 3.674 -17.856 -10.414) 20.995 2.852 ( -1.381 -9.785 -0.160) 9.883 2.936 ( -5.075 6.340 5.583) 9.855 3.368 ( 7.128 -19.307 -19.895) 28.625 3.712 ( 1.423 4.392 7.484) 8.793 4.222 ( -0.515 6.675 -0.462) 6.711 4.296 ( -0.746 0.288 4.876) 4.941 4.541 ( 1.686 -2.980 -1.823) 3.879 4.814 ( 3.462 0.439 9.114) 9.759 5.027 ( 0.306 -2.701 9.309) 9.698 8.772 ( -12.382 1.100 -11.624) 17.019 9.629 ( 3.423 1.742 2.092) 4.373 10.200 ( 13.815 2.777 -4.674) 14.846 10.770 ( 1.245 -16.504 -7.162) 18.034 11.768 ( 4.648 -0.204 11.886) 12.764 12.003 ( 1.008 -5.083 12.813) 13.821 19.036 ( 1.410 6.178 -17.661) 18.763 20.611 ( -28.017 2.314 8.593) 29.397 21.691 ( 23.980 4.569 -0.792) 24.424 22.496 ( -0.105 1.956 -0.578) 2.043 22.754 ( -7.459 0.632 3.251) 8.161 23.074 ( 6.587 2.974 -6.530) 9.741 23.485 ( 5.357 -6.631 10.990) 13.908 23.913 ( -2.458 -4.251 5.724) 7.542 24.742 ( -3.908 3.458 -7.012) 8.741 25.274 ( -5.176 4.685 -6.242) 9.365 51.075 ( -2.012 0.610 -5.299) 5.701 51.356 ( 3.279 -0.755 0.709) 3.438 51.440 ( 2.128 -2.773 3.356) 4.846 51.507 ( -0.079 -2.418 -0.333) 2.442 51.661 ( 1.351 7.777 -1.902) 8.119 52.804 ( -5.121 -0.396 3.233) 6.069 53.552 ( 0.048 -1.171 -1.258) 1.719 53.668 ( 0.760 0.550 0.462) 1.045 ======================= Grid point 20 (16/105) ======================= q-point: (-0.47 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 11.597 -1.243 -7.772) 14.016 1.806 ( -3.036 -19.928 -16.427) 26.003 2.258 ( 9.503 5.538 5.852) 12.459 2.705 ( -2.477 -3.665 8.435) 9.525 2.876 ( 0.986 -1.046 -14.217) 14.289 3.374 ( 17.381 -11.010 -13.684) 24.710 3.909 ( -0.776 9.737 10.776) 14.545 4.177 ( 1.029 -8.987 2.040) 9.273 4.280 ( -2.982 2.104 6.044) 7.060 4.577 ( 1.811 1.714 -2.150) 3.292 4.793 ( -1.262 -3.251 10.446) 11.013 4.981 ( 2.934 -4.185 9.674) 10.941 8.594 ( -8.491 4.696 -18.404) 20.805 9.735 ( -3.029 8.428 8.086) 12.066 10.392 ( 2.986 -20.882 -7.543) 22.403 10.604 ( 19.018 -2.565 -9.444) 21.387 11.854 ( 4.805 -2.704 17.619) 18.461 11.917 ( 2.752 -4.943 12.596) 13.808 19.176 ( -4.260 5.548 -24.128) 25.121 20.229 ( -13.403 9.023 3.713) 16.578 22.218 ( 9.177 10.344 4.891) 14.668 22.485 ( -4.152 -11.744 10.252) 16.132 22.598 ( -2.072 4.243 -3.004) 5.596 23.216 ( 5.269 -0.275 -6.823) 8.625 23.304 ( -3.205 -11.900 11.586) 16.915 23.910 ( 6.258 -0.028 5.852) 8.568 24.725 ( -4.901 4.183 -8.721) 10.843 25.284 ( -6.192 7.842 -6.086) 11.700 51.079 ( -0.884 2.640 -3.885) 4.780 51.322 ( -0.497 -3.792 2.396) 4.513 51.389 ( -3.408 -2.366 -0.307) 4.160 51.459 ( 4.770 -2.432 2.364) 5.852 51.927 ( 2.870 5.495 -6.764) 9.175 52.692 ( -4.208 2.228 5.310) 7.132 53.539 ( 0.791 -0.727 -0.890) 1.395 53.678 ( -0.111 -0.420 0.370) 0.570 ======================= Grid point 21 (17/105) ======================= q-point: (-0.47 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.004 -13.235 -9.878) 17.572 1.781 ( 20.228 14.023 -15.047) 28.848 2.452 ( -6.615 -2.333 6.222) 9.376 2.744 ( 14.801 6.149 7.059) 17.513 2.899 ( -2.284 0.991 -11.172) 11.446 3.567 ( 16.869 -8.182 -14.317) 23.590 3.933 ( 3.355 -10.493 1.602) 11.132 4.065 ( -3.557 4.530 5.455) 7.933 4.292 ( -1.106 2.425 5.099) 5.754 4.559 ( -6.058 1.010 3.989) 7.323 4.713 ( -0.112 -2.172 9.077) 9.334 5.012 ( 4.044 -0.365 8.549) 9.464 8.663 ( -0.952 11.780 -19.348) 22.672 9.831 ( -8.969 7.358 8.835) 14.582 10.001 ( 7.440 -20.991 -7.522) 23.507 10.875 ( 13.028 -4.216 -8.281) 16.003 11.789 ( 0.215 -5.415 13.313) 14.374 11.981 ( 5.194 -0.230 11.750) 12.849 19.054 ( -6.533 -1.910 -16.565) 17.909 20.494 ( -1.010 25.520 -3.818) 25.824 21.903 ( -8.114 -26.471 13.603) 30.848 22.483 ( -0.120 4.262 2.600) 4.994 22.690 ( -0.900 7.222 -2.734) 7.774 23.043 ( -2.654 -6.137 3.585) 7.586 23.354 ( 7.947 0.234 -0.822) 7.993 24.015 ( 3.842 -1.600 4.294) 5.980 24.725 ( -3.383 4.088 -7.699) 9.351 25.310 ( -4.956 4.700 -1.469) 6.986 51.137 ( 0.523 1.812 -2.162) 2.869 51.259 ( -0.755 -0.245 1.554) 1.745 51.294 ( -0.184 -1.294 1.101) 1.709 51.512 ( 3.108 -0.939 1.205) 3.463 51.872 ( -5.631 -5.110 -7.114) 10.413 52.779 ( 0.810 6.113 4.136) 7.425 53.555 ( 1.192 -0.042 -0.530) 1.305 53.656 ( -0.482 -0.626 0.654) 1.026 ======================= Grid point 23 (18/105) ======================= q-point: ( 0.53 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -3.555 9.964 1.952) 10.757 2.157 ( -7.921 -10.234 7.709) 15.063 2.326 ( -2.983 -6.023 4.902) 8.319 2.800 ( 6.737 1.600 1.347) 7.054 3.000 ( -7.562 -7.635 -1.202) 10.813 3.680 ( 0.492 0.736 6.543) 6.603 3.975 ( 2.124 6.528 -9.148) 11.437 4.135 ( 3.099 -1.438 -3.304) 4.753 4.280 ( -7.587 1.956 -0.709) 7.867 4.412 ( 3.633 0.899 1.918) 4.205 4.735 ( -1.539 2.034 -4.115) 4.841 5.067 ( -1.114 1.182 -3.119) 3.517 8.686 ( -2.529 -13.651 12.757) 18.854 9.659 ( 6.186 -5.425 -5.311) 9.793 10.128 ( -4.105 19.397 0.996) 19.852 11.068 ( -4.318 4.234 4.373) 7.463 11.780 ( 0.805 5.971 -5.536) 8.182 12.060 ( -2.201 -0.224 -4.098) 4.657 18.973 ( 1.759 2.914 4.919) 5.982 20.503 ( -1.638 -25.851 6.901) 26.807 21.746 ( 6.244 24.129 -10.423) 27.016 22.471 ( 0.574 -1.886 -2.460) 3.153 22.688 ( -0.793 -5.641 3.364) 6.616 23.008 ( 0.441 5.220 -3.244) 6.162 23.490 ( -4.741 0.334 1.990) 5.152 24.048 ( 0.609 0.529 0.187) 0.828 24.677 ( 1.021 -4.222 3.077) 5.323 25.236 ( 2.126 -4.100 -1.940) 5.009 51.131 ( 1.732 -2.035 -3.494) 4.398 51.276 ( -3.576 3.657 2.161) 5.553 51.321 ( -2.093 -0.952 -1.391) 2.687 51.557 ( -0.946 0.967 -0.501) 1.443 51.741 ( 6.372 4.902 5.441) 9.707 52.793 ( -0.560 -6.328 -1.300) 6.484 53.575 ( -0.577 -0.001 -0.505) 0.767 53.648 ( 0.143 0.694 0.022) 0.709 ======================= Grid point 24 (19/105) ======================= q-point: ( 0.53 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -17.201 -6.529 7.006) 19.687 1.776 ( -0.677 12.183 10.875) 16.345 2.430 ( 3.873 -1.837 -2.076) 4.763 2.595 ( -3.297 -8.060 -9.185) 12.656 2.902 ( -0.039 0.736 12.366) 12.387 3.602 ( -0.549 -7.058 2.895) 7.649 3.991 ( -9.973 3.282 1.302) 10.580 4.212 ( 2.368 -4.519 -6.701) 8.422 4.231 ( -3.614 11.746 -4.786) 13.188 4.530 ( 5.427 -0.513 0.844) 5.517 4.798 ( -1.394 5.512 -5.650) 8.016 5.053 ( -3.511 3.155 -5.698) 7.399 8.471 ( 3.032 -6.116 17.842) 19.103 9.574 ( 9.575 -14.469 -10.669) 20.368 10.515 ( -6.796 24.372 5.768) 25.951 10.977 ( -14.769 5.327 8.976) 18.084 11.914 ( -1.217 5.413 -13.996) 15.055 11.993 ( -3.700 1.086 -7.891) 8.783 19.099 ( 2.869 2.158 15.032) 15.455 20.056 ( 3.910 -15.770 0.757) 16.265 22.237 ( 5.669 -0.095 -8.171) 9.945 22.411 ( 0.791 2.797 -6.351) 6.984 22.623 ( -2.040 0.887 2.409) 3.279 23.176 ( 5.197 5.690 -0.390) 7.716 23.373 ( -6.970 2.763 -0.572) 7.520 24.021 ( -3.244 -1.384 -3.062) 4.671 24.636 ( 3.192 -3.589 5.232) 7.102 25.174 ( 4.124 -7.321 2.677) 8.818 51.086 ( -1.135 -2.040 0.985) 2.534 51.279 ( 2.347 1.187 -1.388) 2.974 51.376 ( -1.493 5.507 -0.937) 5.782 51.546 ( -3.147 2.501 -1.480) 4.283 51.929 ( 2.724 -0.094 7.812) 8.274 52.627 ( 1.736 -7.476 -4.030) 8.669 53.560 ( -1.081 0.524 0.050) 1.202 53.671 ( 0.457 0.579 -0.085) 0.743 ======================= Grid point 25 (20/105) ======================= q-point: ( 0.53 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -3.704 12.810 -1.791) 13.455 2.012 ( 5.398 -1.585 4.739) 7.356 2.332 ( -4.974 12.069 0.922) 13.086 2.706 ( 12.512 -4.187 -9.333) 16.161 2.890 ( -1.468 1.756 7.460) 7.803 3.460 ( 2.085 -3.630 2.260) 4.758 3.854 ( -12.810 5.961 3.880) 14.652 4.193 ( 3.500 -4.582 -2.735) 6.382 4.308 ( -2.666 2.283 -3.690) 5.092 4.582 ( -1.694 2.658 4.049) 5.131 4.856 ( -1.497 1.516 -7.490) 7.787 5.062 ( -2.815 3.283 -5.782) 7.221 8.530 ( 9.237 -1.797 12.424) 15.586 9.528 ( 10.922 -9.822 -10.321) 17.952 10.618 ( -22.146 3.307 8.215) 23.851 10.861 ( -7.082 17.416 6.745) 19.974 11.886 ( -5.771 0.963 -10.433) 11.961 12.021 ( -0.737 3.903 -10.889) 11.591 19.082 ( -2.699 -3.032 16.348) 16.844 20.112 ( 18.832 -3.256 -6.154) 20.078 22.047 ( -9.458 -5.234 -1.985) 10.990 22.519 ( 0.122 -3.092 4.145) 5.173 22.626 ( 1.981 2.805 -6.836) 7.650 23.183 ( -3.932 -2.648 8.684) 9.894 23.544 ( 0.980 8.548 -13.862) 16.315 23.899 ( -1.921 -0.172 -4.079) 4.511 24.647 ( 4.138 -3.005 5.545) 7.544 25.152 ( 5.998 -4.322 6.924) 10.129 51.049 ( 0.282 -0.224 4.126) 4.142 51.361 ( 2.963 -0.575 -0.265) 3.030 51.453 ( -1.395 4.268 -1.983) 4.909 51.552 ( -3.839 5.711 -3.206) 7.591 51.763 ( -6.002 -9.041 4.139) 11.614 52.658 ( 8.094 -1.245 -2.762) 8.643 53.559 ( -0.583 1.038 0.895) 1.490 53.679 ( -0.172 -0.327 -0.118) 0.388 ======================= Grid point 26 (21/105) ======================= q-point: ( 0.53 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -7.776 6.724 2.007) 10.474 2.101 ( 8.220 2.357 -5.483) 10.158 2.552 ( 4.293 3.355 1.515) 5.655 2.702 ( 1.237 -8.800 -5.588) 10.498 3.020 ( 4.274 5.068 -2.555) 7.105 3.673 ( 4.136 0.087 -6.032) 7.314 3.787 ( -3.153 17.825 16.998) 24.832 4.071 ( -1.926 -5.190 3.157) 6.372 4.312 ( -0.719 1.576 -2.381) 2.944 4.531 ( -4.010 -5.470 -0.604) 6.809 4.775 ( -2.629 -2.413 -4.206) 5.516 5.065 ( -1.229 1.056 -2.831) 3.262 8.741 ( 13.697 -2.149 -0.094) 13.865 9.594 ( 3.067 -0.088 -1.546) 3.436 10.174 ( -18.161 -0.744 4.811) 18.802 11.035 ( -3.212 7.564 2.220) 8.512 11.768 ( -5.539 0.153 -3.680) 6.652 12.070 ( -0.183 1.297 -5.342) 5.500 18.966 ( -2.674 -1.152 6.566) 7.183 20.554 ( 26.685 -2.879 -8.795) 28.245 21.659 ( -23.168 1.550 5.772) 23.927 22.469 ( 0.609 -0.529 1.977) 2.135 22.720 ( 5.827 -2.008 -3.407) 7.043 23.023 ( -6.022 -1.665 5.003) 8.004 23.547 ( -2.887 -0.338 -5.363) 6.100 23.999 ( 1.681 3.609 -4.433) 5.958 24.685 ( 4.102 -1.715 2.320) 5.015 25.220 ( 4.348 -0.696 4.546) 6.329 51.089 ( 1.955 1.665 4.959) 5.585 51.344 ( -4.446 -1.683 0.170) 4.757 51.406 ( -0.069 -5.589 -1.237) 5.725 51.554 ( -1.868 0.830 0.100) 2.047 51.618 ( -1.559 4.549 -3.418) 5.899 52.803 ( 5.850 -0.353 -0.980) 5.942 53.573 ( 0.009 0.683 1.186) 1.368 53.654 ( -0.788 -0.642 -0.485) 1.126 ======================= Grid point 27 (22/105) ======================= q-point: ( 0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.582 18.378 -15.954) 24.344 1.851 ( -16.059 21.733 8.743) 28.402 2.421 ( 6.497 -1.213 -0.327) 6.618 2.634 ( -4.073 2.878 16.166) 16.917 3.000 ( 8.279 27.441 3.508) 28.876 3.111 ( -0.451 8.391 -1.531) 8.542 3.846 ( 0.291 -2.080 -3.503) 4.084 4.134 ( -2.088 -8.107 3.364) 9.022 4.372 ( 0.176 -1.993 -1.718) 2.637 4.646 ( 5.997 -4.432 -5.499) 9.265 4.901 ( -2.210 -2.318 -4.664) 5.658 5.231 ( -1.606 -3.871 -8.772) 9.721 8.598 ( -10.050 3.789 11.014) 15.384 9.551 ( 7.461 9.131 -1.644) 11.906 10.159 ( -2.536 -3.949 -9.164) 10.296 10.616 ( 2.031 11.761 10.249) 15.732 11.884 ( 1.322 -5.971 -3.104) 6.859 12.209 ( -1.168 1.066 -7.970) 8.125 18.674 ( 0.699 4.540 14.553) 15.261 21.028 ( -29.528 -3.601 2.219) 29.829 21.504 ( 33.062 -6.760 -9.589) 35.082 22.525 ( 1.154 -2.812 -0.855) 3.157 22.830 ( -6.882 -3.520 2.774) 8.212 22.900 ( 4.881 -0.457 2.253) 5.395 23.618 ( -7.321 2.273 -15.480) 17.274 24.034 ( 0.467 0.309 -0.062) 0.563 24.667 ( -1.044 1.564 2.288) 2.961 25.202 ( 5.071 -1.365 10.143) 11.422 51.029 ( 3.156 0.898 3.614) 4.881 51.322 ( -2.015 -0.819 -1.964) 2.930 51.405 ( -5.739 1.641 -1.608) 6.182 51.510 ( 1.278 2.506 -0.877) 2.947 51.655 ( 3.442 -4.760 3.430) 6.802 52.916 ( -0.425 -1.436 -1.932) 2.445 53.532 ( 0.433 1.672 0.846) 1.923 53.668 ( -0.241 -0.762 -0.480) 0.932 ======================= Grid point 28 (23/105) ======================= q-point: ( 0.29 -0.04 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.398 12.474 -12.346) 17.555 1.996 ( -8.609 16.886 3.070) 19.201 2.278 ( -5.820 -12.399 1.224) 13.752 2.669 ( 1.032 4.449 13.238) 14.003 3.029 ( -9.060 -1.050 -2.187) 9.379 3.514 ( 3.451 0.243 7.189) 7.978 4.102 ( 6.551 1.826 -2.895) 7.391 4.149 ( 9.912 11.878 0.392) 15.475 4.338 ( -0.485 -1.681 -2.475) 3.031 4.420 ( -3.921 -11.096 -2.575) 12.046 4.827 ( 0.719 -3.122 -3.847) 5.006 5.116 ( -0.236 -4.327 -1.686) 4.650 8.426 ( -14.676 9.285 10.212) 20.147 9.843 ( -7.597 -8.921 -10.423) 15.683 10.162 ( 21.034 8.924 -3.096) 23.058 10.927 ( 4.961 8.822 7.918) 12.850 11.807 ( 5.823 -8.298 1.940) 10.322 12.152 ( -0.726 -4.626 -4.015) 6.168 18.872 ( 3.687 8.932 4.176) 10.527 20.387 ( -24.789 -0.786 3.934) 25.111 21.961 ( 23.820 -10.168 -9.354) 27.537 22.511 ( 1.009 -0.402 -0.625) 1.253 22.618 ( -7.283 -0.440 2.630) 7.756 23.019 ( 4.699 2.668 1.420) 5.587 23.562 ( -1.995 1.190 -7.836) 8.173 23.977 ( -1.281 -4.678 6.282) 7.936 24.665 ( -3.439 3.277 -1.384) 4.948 25.228 ( -2.297 0.981 2.057) 3.235 51.184 ( 2.655 4.657 -0.833) 5.425 51.256 ( 0.869 -0.703 -0.690) 1.314 51.358 ( -2.238 2.050 -2.055) 3.665 51.566 ( 1.187 0.032 -0.333) 1.233 51.631 ( 3.879 -5.213 4.740) 8.043 52.808 ( -6.422 -1.346 -0.238) 6.566 53.583 ( 0.796 1.647 -0.247) 1.845 53.647 ( 0.195 -0.951 0.042) 0.971 ======================= Grid point 29 (24/105) ======================= q-point: (-0.71 -0.04 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -6.840 -19.604 4.063) 21.157 1.955 ( -3.397 11.899 1.811) 12.506 2.244 ( -5.143 8.465 -4.113) 10.725 2.737 ( -7.306 -5.883 -2.053) 9.602 2.863 ( 3.254 7.084 5.832) 9.736 3.362 ( -8.672 -2.383 4.719) 10.156 4.049 ( 0.344 -5.721 -1.731) 5.987 4.250 ( -3.601 -1.695 1.103) 4.130 4.371 ( 10.915 -3.024 -10.116) 15.186 4.638 ( 6.532 6.476 0.961) 9.249 4.777 ( 2.520 -4.740 1.292) 5.521 5.048 ( 3.707 -5.197 3.728) 7.392 8.449 ( -6.752 14.262 3.839) 16.240 9.392 ( -17.613 -4.654 -3.646) 18.579 10.811 ( 23.868 3.815 -8.280) 25.550 11.154 ( 8.447 -1.207 0.005) 8.532 11.762 ( 5.965 -8.794 9.241) 14.082 11.998 ( 0.517 -8.506 2.044) 8.764 19.173 ( 4.907 10.176 -4.834) 12.289 19.935 ( -18.212 0.519 4.759) 18.831 22.078 ( 6.239 -5.530 -4.011) 9.252 22.499 ( -6.418 1.095 3.924) 7.602 22.592 ( 7.404 -1.271 -1.757) 7.715 23.207 ( 2.818 6.374 -1.221) 7.075 23.545 ( 1.276 -3.948 -2.481) 4.834 23.826 ( -1.048 -4.005 7.000) 8.133 24.666 ( -3.646 3.650 -3.200) 6.071 25.164 ( -6.649 2.483 -1.072) 7.178 51.154 ( -1.431 -1.636 -3.903) 4.467 51.316 ( -4.480 3.065 0.800) 5.487 51.489 ( 5.159 -1.836 1.206) 5.607 51.600 ( 5.182 -3.081 2.221) 6.425 51.644 ( 6.098 4.854 -1.255) 7.894 52.610 ( -9.828 -0.709 1.273) 9.935 53.602 ( 0.239 -1.038 -1.003) 1.463 53.658 ( 0.503 1.045 0.555) 1.286 ======================= Grid point 30 (25/105) ======================= q-point: (-0.71 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 6.410 2.515 6.019) 9.145 2.117 ( -1.522 3.503 -10.199) 10.890 2.198 ( -7.963 10.636 6.770) 14.912 2.503 ( 1.924 -7.080 -0.056) 7.337 3.074 ( 0.656 3.898 -6.258) 7.402 3.338 ( -3.159 10.531 2.846) 11.357 3.966 ( -3.579 -0.014 6.077) 7.052 4.116 ( -4.170 -0.868 0.452) 4.284 4.476 ( 12.253 -9.939 -7.481) 17.461 4.641 ( -1.596 -6.596 -0.765) 6.829 4.829 ( 5.919 -2.984 3.503) 7.497 5.036 ( 5.146 -5.595 4.577) 8.873 8.656 ( -3.260 9.358 -10.755) 14.624 9.060 ( -13.044 10.586 8.515) 18.834 11.112 ( 7.375 -13.619 -10.071) 18.474 11.294 ( 12.180 -4.846 -10.762) 16.960 11.702 ( 6.532 -5.520 13.713) 16.161 11.887 ( 4.549 -6.194 10.479) 12.995 19.375 ( -5.251 1.006 -10.141) 11.464 19.741 ( -3.900 11.330 4.159) 12.684 22.112 ( 1.361 1.232 -0.200) 1.847 22.351 ( -5.339 -3.175 6.250) 8.812 22.696 ( 4.263 -1.239 -2.307) 5.003 23.224 ( -5.435 -4.941 4.361) 8.542 23.523 ( 6.795 -1.175 -7.878) 10.469 23.874 ( 4.473 2.689 6.095) 8.024 24.656 ( -4.346 3.498 -3.538) 6.606 25.080 ( -7.323 4.143 -0.499) 8.429 51.096 ( -1.331 -1.300 -1.035) 2.129 51.270 ( -2.301 0.597 0.805) 2.510 51.463 ( 2.812 -5.255 1.013) 6.045 51.600 ( 3.941 -4.309 0.931) 5.914 52.008 ( 4.994 8.676 -7.108) 12.277 52.405 ( -7.785 2.288 5.152) 9.611 53.579 ( 0.268 -1.308 -0.081) 1.337 53.677 ( -0.164 0.235 -0.020) 0.287 ======================= Grid point 31 (26/105) ======================= q-point: (-0.71 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 0.885 7.026 1.166) 7.177 2.141 ( -2.320 4.197 -3.328) 5.837 2.356 ( 10.297 7.394 -13.836) 18.765 2.717 ( 10.751 8.327 3.083) 13.944 2.938 ( -8.822 -4.817 -0.800) 10.083 3.512 ( -10.412 16.916 1.206) 19.901 3.948 ( 0.979 -0.668 4.301) 4.461 4.007 ( -3.696 -7.443 7.416) 11.138 4.372 ( 1.073 -5.655 0.770) 5.807 4.565 ( 4.123 -5.838 -4.066) 8.223 4.820 ( 5.657 -6.208 -2.928) 8.894 5.045 ( 5.501 -3.976 4.600) 8.199 8.632 ( -9.938 8.671 -4.304) 13.874 9.356 ( 3.803 18.437 -0.749) 18.840 10.725 ( -2.401 -24.751 -7.205) 25.890 11.261 ( -1.008 -8.491 -3.365) 9.189 11.722 ( 6.179 -6.692 12.180) 15.209 12.011 ( 10.582 0.098 1.375) 10.671 19.118 ( -10.357 -4.026 -1.919) 11.277 20.131 ( 2.930 21.374 -4.397) 22.017 21.985 ( -3.030 -13.241 3.651) 14.065 22.311 ( 1.736 3.883 4.611) 6.273 22.728 ( 0.923 -0.127 -4.000) 4.107 23.008 ( -1.620 -5.712 5.544) 8.123 23.658 ( 6.897 -1.341 -9.125) 11.517 24.011 ( 2.983 1.189 3.759) 4.944 24.653 ( -4.695 5.962 -4.216) 8.681 25.039 ( -5.610 4.845 4.709) 8.782 51.035 ( -2.706 -0.073 2.259) 3.526 51.285 ( 2.057 0.999 -0.642) 2.376 51.415 ( 3.975 -5.627 0.614) 6.917 51.585 ( 1.359 -2.547 -0.146) 2.890 51.955 ( -8.766 -3.682 -5.361) 10.915 52.569 ( 3.423 10.707 2.560) 11.529 53.563 ( -0.035 -0.496 0.643) 0.813 53.668 ( 0.090 -0.694 -0.137) 0.713 ======================= Grid point 32 (27/105) ======================= q-point: ( 0.29 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -7.501 -0.916 -12.542) 14.643 2.202 ( -2.424 6.311 -3.331) 7.537 2.466 ( -12.997 -3.897 4.135) 14.185 2.854 ( 7.754 -0.750 -3.459) 8.524 3.052 ( 1.291 5.424 -2.596) 6.151 3.441 ( -20.209 -6.843 13.766) 25.391 3.713 ( 2.228 9.484 1.436) 9.847 4.040 ( 4.520 -2.701 0.134) 5.267 4.359 ( -0.659 -2.216 -2.203) 3.193 4.507 ( 3.252 -0.330 2.592) 4.172 4.889 ( 6.286 -3.032 -5.337) 8.786 5.106 ( 5.205 0.305 -1.235) 5.358 8.681 ( -7.771 11.569 4.264) 14.574 9.766 ( 4.259 2.278 -12.492) 13.394 10.115 ( -3.335 -16.259 1.661) 16.681 10.945 ( -12.109 -6.048 5.271) 14.525 11.759 ( 7.700 -3.596 3.416) 9.159 12.185 ( 5.548 -0.714 -4.743) 7.334 18.840 ( -8.789 -2.433 4.897) 10.351 20.723 ( 3.263 28.660 -6.634) 29.598 21.565 ( 2.862 -25.385 3.101) 25.733 22.433 ( 1.276 3.651 1.422) 4.121 22.773 ( 1.487 2.557 -2.073) 3.612 22.912 ( 0.680 -3.589 5.087) 6.263 23.725 ( 4.349 -4.486 -10.301) 12.048 24.038 ( 0.919 -1.486 0.972) 1.999 24.695 ( -3.820 4.799 -3.783) 7.207 25.065 ( -2.335 6.582 9.960) 12.165 51.001 ( -2.294 2.180 3.162) 4.474 51.337 ( 1.908 -1.810 0.328) 2.650 51.442 ( 6.049 -0.868 -1.679) 6.337 51.549 ( -1.255 -1.312 0.364) 1.852 51.680 ( -6.526 -5.015 -2.322) 8.552 52.815 ( 2.186 6.236 -0.192) 6.610 53.552 ( -0.898 0.252 0.828) 1.247 53.661 ( 0.704 -0.670 -0.204) 0.993 ======================= Grid point 34 (28/105) ======================= q-point: ( 0.29 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -16.100 -3.270 17.856) 24.265 1.202 ( -18.579 11.245 -0.554) 21.724 2.393 ( -19.219 6.803 19.324) 28.090 2.518 ( -8.430 -6.894 -4.428) 11.756 2.754 ( -6.890 13.544 -3.244) 15.538 2.894 ( -13.675 5.941 4.247) 15.503 3.912 ( 1.932 9.050 3.748) 9.984 4.241 ( 4.644 -3.136 -2.769) 6.251 4.419 ( 2.415 0.402 -3.315) 4.121 4.767 ( -2.597 -2.871 -12.793) 13.365 4.978 ( 6.649 -3.319 -7.640) 10.658 5.143 ( -1.131 -1.978 -8.180) 8.491 8.384 ( 7.251 -8.431 12.585) 16.794 9.693 ( -12.108 20.243 0.471) 23.593 10.032 ( -13.239 5.228 -2.424) 14.439 10.532 ( 3.619 -5.680 2.243) 7.099 12.035 ( 1.992 3.795 -6.579) 7.852 12.122 ( -4.322 -0.319 -9.780) 10.697 18.682 ( 2.999 -0.210 27.505) 27.669 20.551 ( 7.887 -20.129 0.014) 21.619 22.286 ( -0.699 21.348 -7.075) 22.500 22.581 ( 4.827 -1.686 -5.180) 7.279 22.704 ( 1.825 -9.338 -2.318) 9.793 23.025 ( 1.668 2.465 8.614) 9.113 23.450 ( -3.190 4.974 -24.028) 24.743 24.007 ( -4.504 1.073 -3.704) 5.930 24.627 ( 1.307 -2.100 5.850) 6.351 25.239 ( 3.520 -7.426 16.135) 18.107 51.051 ( 0.537 -1.708 4.497) 4.841 51.292 ( -0.666 1.671 -1.579) 2.394 51.367 ( 2.272 0.188 -1.333) 2.641 51.468 ( -3.879 1.621 -1.579) 4.491 51.829 ( 2.999 2.090 4.771) 6.011 52.868 ( 1.229 -4.939 -3.487) 6.170 53.505 ( -1.658 0.628 0.963) 2.018 53.681 ( 0.456 0.135 -0.492) 0.684 ======================= Grid point 35 (29/105) ======================= q-point: ( 0.29 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.537 21.016 -6.893) 22.578 1.527 ( 1.915 26.770 14.483) 30.497 2.289 ( -14.267 25.221 16.096) 33.147 2.319 ( 1.921 -1.500 -6.345) 6.797 2.710 ( -10.332 5.292 13.746) 17.992 2.976 ( -3.194 11.113 -5.468) 12.791 4.100 ( -6.139 -6.058 -8.346) 12.002 4.325 ( 2.053 5.307 2.940) 6.405 4.430 ( 0.860 -10.713 -8.544) 13.730 4.455 ( 3.314 -0.398 -3.515) 4.847 4.958 ( -0.387 -0.749 -2.645) 2.776 5.255 ( 4.276 0.162 -12.920) 13.610 8.517 ( 11.361 -1.007 10.197) 15.300 9.585 ( -21.912 7.839 -3.036) 23.469 10.094 ( -9.100 19.559 5.370) 22.231 10.481 ( 7.942 -9.039 -1.697) 12.151 11.992 ( -2.428 -2.965 -5.702) 6.870 12.163 ( -0.989 5.132 -10.545) 11.769 18.667 ( 0.154 -3.501 26.930) 27.157 20.767 ( 29.265 0.251 -4.158) 29.560 21.910 ( -26.689 -11.369 -2.896) 29.154 22.587 ( 1.702 -5.774 -1.265) 6.151 22.787 ( 5.655 1.668 -2.412) 6.370 22.997 ( -2.588 -2.228 5.728) 6.669 23.717 ( -6.938 11.143 -29.974) 32.722 23.939 ( 0.492 3.050 -4.706) 5.630 24.636 ( 2.706 -1.036 6.907) 7.491 25.141 ( 7.318 -8.322 22.078) 24.703 51.010 ( 1.612 -3.091 4.921) 6.031 51.346 ( -1.320 2.832 -1.591) 3.507 51.439 ( 0.949 0.746 0.475) 1.297 51.441 ( -2.372 4.161 -2.292) 5.310 51.763 ( -2.691 -6.115 2.663) 7.192 52.880 ( 4.851 -0.761 -3.302) 5.918 53.500 ( -0.578 1.297 1.106) 1.801 53.684 ( -0.120 -0.263 -0.296) 0.414 ======================= Grid point 36 (30/105) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -0.313 27.227 -0.000) 27.229 0.619 ( -28.811 28.920 -0.000) 40.822 0.994 ( 17.610 45.402 -0.000) 48.698 2.400 ( 3.636 3.185 0.000) 4.834 2.544 ( 4.879 2.351 0.000) 5.416 2.624 ( -4.778 9.845 -0.000) 10.944 3.834 ( -10.317 4.072 -0.000) 11.091 4.433 ( 0.983 -4.889 0.000) 4.987 4.475 ( -0.899 -1.068 0.000) 1.395 4.928 ( -0.119 0.207 -0.000) 0.239 5.147 ( 13.179 -9.411 0.000) 16.194 5.470 ( -7.826 0.504 -0.000) 7.842 8.629 ( -3.999 -11.679 0.000) 12.345 9.230 ( -0.109 7.912 -0.000) 7.913 9.495 ( 3.681 18.761 -0.000) 19.118 10.812 ( 0.013 -7.494 0.000) 7.494 12.090 ( 0.894 -1.669 0.000) 1.893 12.154 ( -0.887 4.023 -0.000) 4.119 18.172 ( 0.036 4.247 -0.000) 4.247 21.187 ( -16.101 -2.888 -0.000) 16.358 21.809 ( 19.200 -2.144 0.000) 19.320 22.773 ( 0.082 -5.391 0.000) 5.392 22.838 ( 0.105 0.214 -0.000) 0.238 22.967 ( -0.371 -2.339 0.000) 2.368 23.931 ( -0.003 2.533 -0.000) 2.533 24.196 ( -14.380 -10.370 -0.000) 17.730 24.604 ( -0.130 0.177 -0.000) 0.220 24.745 ( 11.670 9.591 0.000) 15.106 51.022 ( 0.411 -2.571 0.000) 2.604 51.296 ( -1.219 1.278 -0.000) 1.766 51.344 ( 0.763 4.740 -0.000) 4.801 51.434 ( -0.776 -1.154 0.000) 1.391 51.802 ( 0.873 -2.669 0.000) 2.808 53.020 ( -0.164 -1.344 0.000) 1.354 53.451 ( 0.030 1.182 -0.000) 1.182 53.693 ( -0.005 -0.193 0.000) 0.193 ======================= Grid point 37 (31/105) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -7.817 21.281 -0.000) 22.671 1.254 ( 10.782 22.771 -0.000) 25.195 2.155 ( 11.059 19.744 -0.000) 22.630 2.574 ( -6.210 3.744 -0.000) 7.252 2.714 ( 10.723 21.606 -0.000) 24.120 2.918 ( 7.418 5.177 0.000) 9.046 3.862 ( 9.137 -1.954 0.000) 9.343 4.271 ( -1.778 -4.530 0.000) 4.867 4.448 ( 0.667 -2.800 0.000) 2.878 4.935 ( 0.847 0.102 0.000) 0.853 5.061 ( -10.844 -11.800 0.000) 16.026 5.230 ( -4.121 0.346 -0.000) 4.135 8.250 ( -8.197 -8.012 -0.000) 11.462 9.708 ( 21.674 11.513 0.000) 24.542 10.079 ( 8.498 21.969 -0.000) 23.555 10.500 ( -9.432 -12.362 0.000) 15.550 12.083 ( 2.175 -3.190 0.000) 3.861 12.228 ( 0.464 3.233 -0.000) 3.266 18.351 ( 4.097 8.263 -0.000) 9.223 20.551 ( -19.284 -8.903 -0.000) 21.240 22.355 ( 16.435 4.073 0.000) 16.932 22.611 ( -3.369 -5.190 0.000) 6.188 22.836 ( -1.225 -7.975 0.000) 8.068 22.853 ( -0.192 1.689 -0.000) 1.700 23.853 ( 1.231 -11.209 0.000) 11.277 23.987 ( 0.851 0.531 0.000) 1.004 24.605 ( 0.015 0.277 -0.000) 0.277 24.955 ( -6.861 10.023 -0.000) 12.147 50.999 ( -0.560 1.223 -0.000) 1.345 51.312 ( 1.098 0.911 0.000) 1.427 51.377 ( -0.486 -2.335 0.000) 2.385 51.493 ( 3.144 4.065 -0.000) 5.139 51.777 ( 2.001 -3.412 0.000) 3.955 52.903 ( -5.966 -2.586 -0.000) 6.502 53.494 ( 0.770 1.886 -0.000) 2.037 53.686 ( -0.049 -0.469 0.000) 0.472 ======================= Grid point 38 (32/105) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.645 14.081 -0.000) 14.327 1.926 ( 10.145 18.603 -0.000) 21.190 2.455 ( -3.629 -6.925 0.000) 7.818 2.463 ( 5.212 3.158 0.000) 6.094 2.845 ( -9.812 -6.712 -0.000) 11.888 3.440 ( 4.624 10.910 -0.000) 11.849 4.001 ( 4.469 4.077 0.000) 6.050 4.350 ( -2.995 -4.008 0.000) 5.003 4.375 ( 9.040 5.619 0.000) 10.644 4.531 ( -11.630 -7.887 -0.000) 14.052 4.970 ( 3.671 -1.664 0.000) 4.031 5.162 ( -1.400 -1.158 -0.000) 1.817 8.018 ( -2.647 -1.758 -0.000) 3.177 9.922 ( -17.193 -14.643 -0.000) 22.583 10.494 ( 25.702 12.353 0.000) 28.517 10.724 ( 11.251 18.414 -0.000) 21.579 12.023 ( -0.262 -4.558 0.000) 4.565 12.273 ( 1.249 -1.847 0.000) 2.230 18.674 ( 6.570 11.051 -0.000) 12.856 20.047 ( -11.493 -8.347 -0.000) 14.204 22.448 ( -4.540 -2.142 -0.000) 5.020 22.474 ( -9.321 -0.780 -0.000) 9.354 22.779 ( 13.927 -7.249 0.000) 15.701 22.911 ( -0.865 4.947 -0.000) 5.022 23.730 ( 4.636 -7.058 0.000) 8.444 23.953 ( -0.967 -3.626 0.000) 3.752 24.623 ( 1.350 -0.022 0.000) 1.350 24.956 ( -10.434 8.336 -0.000) 13.355 51.047 ( -1.971 5.311 -0.000) 5.665 51.320 ( -0.113 -2.670 0.000) 2.672 51.408 ( 6.196 1.649 0.000) 6.412 51.620 ( 3.525 0.945 0.000) 3.650 51.743 ( 1.297 -2.729 0.000) 3.022 52.681 ( -8.529 -3.561 -0.000) 9.242 53.556 ( 0.723 2.279 -0.000) 2.391 53.672 ( 0.054 -0.853 0.000) 0.855 ======================= Grid point 39 (33/105) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 3.127 12.646 -0.000) 13.027 1.933 ( -6.392 -23.004 0.000) 23.875 2.396 ( -6.159 10.353 -0.000) 12.047 2.490 ( -2.401 -8.534 0.000) 8.866 2.717 ( 7.332 5.059 0.000) 8.908 3.244 ( -9.438 -1.673 -0.000) 9.585 4.125 ( -5.204 -3.511 -0.000) 6.278 4.154 ( -7.597 -2.798 -0.000) 8.096 4.516 ( 6.172 9.838 -0.000) 11.614 4.693 ( 7.429 3.859 0.000) 8.371 5.002 ( 6.074 -5.009 0.000) 7.873 5.150 ( 1.742 -0.698 0.000) 1.877 8.102 ( 4.959 7.645 -0.000) 9.112 9.222 ( -19.870 -12.844 -0.000) 23.660 11.180 ( 15.474 9.138 0.000) 17.970 11.329 ( 17.257 10.866 0.000) 20.393 11.871 ( -3.179 -6.669 0.000) 7.388 12.176 ( -1.467 -7.230 0.000) 7.378 19.066 ( 6.755 12.100 -0.000) 13.858 19.688 ( -8.043 -7.049 -0.000) 10.695 22.255 ( -3.959 -3.824 -0.000) 5.504 22.326 ( -4.737 -0.331 -0.000) 4.749 22.878 ( 7.221 -5.550 0.000) 9.107 23.017 ( -2.819 8.114 -0.000) 8.590 23.729 ( 3.902 -1.873 0.000) 4.328 23.827 ( -0.061 -5.956 0.000) 5.956 24.647 ( 1.644 -1.127 0.000) 1.994 24.894 ( -9.676 6.394 -0.000) 11.597 51.118 ( -1.769 5.142 -0.000) 5.438 51.245 ( -0.971 -3.576 0.000) 3.706 51.654 ( 9.828 2.286 0.000) 10.091 51.679 ( 3.047 1.109 0.000) 3.242 51.728 ( 1.568 -1.544 0.000) 2.200 52.404 ( -10.394 -3.483 -0.000) 10.962 53.615 ( 0.220 2.238 -0.000) 2.249 53.650 ( 0.110 -1.415 0.000) 1.420 ======================= Grid point 40 (34/105) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 3.031 -9.877 0.000) 10.332 1.768 ( 2.247 15.266 -0.000) 15.431 2.194 ( -2.906 -4.114 0.000) 5.036 2.417 ( -5.375 10.551 -0.000) 11.841 3.024 ( 5.734 2.396 0.000) 6.214 3.164 ( -5.804 -0.412 -0.000) 5.819 3.928 ( -0.948 -3.000 0.000) 3.147 3.990 ( -3.153 0.933 -0.000) 3.288 4.731 ( -2.809 -5.362 0.000) 6.053 4.763 ( 2.608 2.551 0.000) 3.648 5.055 ( 7.963 -4.281 0.000) 9.041 5.162 ( 0.783 -1.555 0.000) 1.741 8.529 ( 11.231 15.586 -0.000) 19.211 8.608 ( -17.507 -6.617 -0.000) 18.716 11.572 ( 10.240 3.696 0.000) 10.886 11.590 ( -6.084 -11.050 0.000) 12.615 11.856 ( 14.597 6.249 0.000) 15.878 11.903 ( -6.666 -10.823 0.000) 12.711 19.371 ( -8.211 -7.444 -0.000) 11.083 19.454 ( 5.006 12.887 -0.000) 13.825 22.179 ( 1.565 -1.102 0.000) 1.914 22.231 ( -2.934 -0.846 -0.000) 3.053 22.868 ( 3.723 -5.592 0.000) 6.718 23.084 ( -4.669 4.502 -0.000) 6.485 23.772 ( 2.772 -0.447 0.000) 2.808 23.798 ( 2.505 1.563 0.000) 2.953 24.637 ( 1.565 -2.983 0.000) 3.369 24.831 ( -7.281 4.599 -0.000) 8.612 51.132 ( -1.620 -4.277 0.000) 4.574 51.198 ( 0.501 3.747 -0.000) 3.780 51.659 ( 3.911 -5.447 0.000) 6.706 51.727 ( 1.331 -2.249 0.000) 2.614 52.029 ( 8.083 10.216 -0.000) 13.027 52.109 ( -11.648 -1.989 -0.000) 11.817 53.616 ( 0.031 -1.871 0.000) 1.871 53.655 ( -0.136 1.468 -0.000) 1.474 ======================= Grid point 42 (35/105) ======================= q-point: ( 0.06 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -4.659 4.700 -0.000) 6.618 2.054 ( 1.686 2.331 -0.000) 2.877 2.402 ( 7.495 19.607 -0.000) 20.991 2.765 ( -0.576 19.458 -0.000) 19.466 2.816 ( -14.805 -8.671 -0.000) 17.157 3.002 ( 5.507 -4.841 0.000) 7.332 4.034 ( 8.546 2.082 0.000) 8.796 4.049 ( 2.182 -2.707 0.000) 3.477 4.449 ( -4.476 -7.776 0.000) 8.972 4.709 ( -4.092 -5.999 0.000) 7.262 5.111 ( 3.922 -2.128 0.000) 4.462 5.119 ( -0.751 -2.056 0.000) 2.189 8.244 ( -12.185 2.502 -0.000) 12.440 9.186 ( 15.044 19.102 -0.000) 24.315 11.135 ( -8.269 -18.094 0.000) 19.894 11.417 ( -14.779 -13.940 -0.000) 20.316 11.804 ( 8.786 -0.200 0.000) 8.788 12.198 ( 7.784 3.591 0.000) 8.572 19.017 ( -9.468 -8.129 -0.000) 12.479 19.831 ( 2.522 15.766 -0.000) 15.967 22.176 ( 2.893 -4.275 0.000) 5.162 22.251 ( 3.998 1.689 0.000) 4.340 22.829 ( 2.143 -3.501 0.000) 4.104 23.015 ( -2.440 -2.643 0.000) 3.597 23.887 ( 2.275 1.817 0.000) 2.911 23.923 ( 0.975 9.625 -0.000) 9.674 24.594 ( 2.631 -5.051 0.000) 5.695 24.777 ( -5.579 2.874 -0.000) 6.275 51.014 ( -1.011 -3.831 0.000) 3.962 51.290 ( 1.428 2.693 -0.000) 3.048 51.634 ( 5.183 -5.367 0.000) 7.461 51.657 ( -2.083 -4.017 0.000) 4.525 51.855 ( -9.374 -0.505 -0.000) 9.387 52.398 ( 5.334 10.771 -0.000) 12.020 53.575 ( -0.242 -1.759 0.000) 1.775 53.673 ( -0.029 0.503 -0.000) 0.504 ======================= Grid point 43 (36/105) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -17.484 11.430 -0.000) 20.888 1.923 ( -15.048 -6.382 -0.000) 16.346 2.421 ( -2.507 -3.952 0.000) 4.681 2.604 ( -16.584 1.272 -0.000) 16.633 2.981 ( 5.666 15.426 -0.000) 16.434 3.226 ( -6.054 -17.710 0.000) 18.716 3.967 ( 17.512 4.265 0.000) 18.024 4.228 ( 5.833 -2.902 0.000) 6.515 4.412 ( -0.943 -0.014 -0.000) 0.943 4.436 ( -4.320 -4.509 0.000) 6.244 5.045 ( -2.150 -2.084 -0.000) 2.994 5.187 ( 3.209 3.977 -0.000) 5.111 8.205 ( -5.589 10.905 -0.000) 12.254 9.907 ( 15.625 16.926 -0.000) 23.035 10.457 ( -9.933 -27.879 0.000) 29.596 10.733 ( -21.532 -12.452 -0.000) 24.873 11.948 ( 7.076 -1.798 0.000) 7.301 12.330 ( 0.563 0.681 -0.000) 0.884 18.649 ( -9.549 -7.096 -0.000) 11.897 20.258 ( 0.805 22.098 -0.000) 22.113 22.138 ( 9.838 -13.805 0.000) 16.952 22.401 ( 4.926 3.392 0.000) 5.981 22.818 ( 1.117 -0.862 0.000) 1.411 22.921 ( -0.183 -2.648 0.000) 2.654 23.964 ( 2.267 0.629 0.000) 2.352 24.164 ( -1.448 12.614 -0.000) 12.697 24.547 ( 3.252 -4.928 0.000) 5.905 24.707 ( -4.653 0.850 -0.000) 4.730 50.943 ( 0.306 -1.917 0.000) 1.941 51.360 ( 0.913 1.615 -0.000) 1.855 51.500 ( -5.508 -1.914 -0.000) 5.831 51.665 ( 6.491 -3.573 0.000) 7.409 51.673 ( -5.325 -3.061 -0.000) 6.143 52.698 ( 3.236 9.004 -0.000) 9.568 53.533 ( -0.836 -1.229 0.000) 1.487 53.680 ( 0.244 0.046 0.000) 0.249 ======================= Grid point 44 (37/105) ======================= q-point: ( 0.06 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -29.728 15.876 -0.000) 33.702 1.279 ( -24.083 -10.662 -0.000) 26.338 2.085 ( -28.730 -21.391 -0.000) 35.819 2.450 ( 1.427 3.355 -0.000) 3.646 2.498 ( -6.230 -10.668 0.000) 12.354 3.041 ( -11.008 -4.970 -0.000) 12.078 4.225 ( -7.571 -8.485 0.000) 11.372 4.238 ( 6.209 1.541 0.000) 6.397 4.459 ( 2.769 -0.047 0.000) 2.769 4.612 ( 19.222 10.089 0.000) 21.709 4.960 ( -1.864 -1.209 -0.000) 2.222 5.401 ( 2.975 7.377 -0.000) 7.954 8.410 ( 0.634 11.485 -0.000) 11.503 9.655 ( -7.751 -25.390 0.000) 26.547 10.038 ( -22.876 -8.336 -0.000) 24.347 10.497 ( 12.653 9.469 0.000) 15.804 12.033 ( 4.574 -1.528 0.000) 4.823 12.275 ( -4.380 -1.039 -0.000) 4.502 18.343 ( -7.697 -4.013 -0.000) 8.680 20.812 ( -1.222 30.372 -0.000) 30.397 21.942 ( 12.046 -26.823 0.000) 29.404 22.596 ( 6.287 3.486 0.000) 7.189 22.830 ( 0.161 0.502 -0.000) 0.527 22.916 ( 1.919 0.073 0.000) 1.920 23.986 ( -0.411 -0.845 0.000) 0.940 24.308 ( 7.030 -7.561 0.000) 10.324 24.580 ( -6.538 13.459 -0.000) 14.963 24.633 ( -2.380 -0.302 -0.000) 2.399 50.952 ( 1.784 0.626 0.000) 1.891 51.372 ( -4.121 -0.504 -0.000) 4.152 51.407 ( 1.087 0.910 0.000) 1.417 51.489 ( -4.714 -3.937 -0.000) 6.141 51.734 ( 5.503 -2.249 0.000) 5.945 52.913 ( 2.118 5.912 -0.000) 6.280 53.488 ( -1.397 -0.698 -0.000) 1.561 53.687 ( 0.338 0.022 0.000) 0.338 ======================= Grid point 46 (38/105) ======================= q-point: (-0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -6.500 -12.710 -13.149) 19.409 0.855 ( 15.450 -22.905 -17.227) 32.559 1.418 ( -6.460 -36.258 -28.862) 46.791 2.432 ( -5.777 -0.313 1.043) 5.879 2.532 ( 2.736 -5.445 2.726) 6.675 2.634 ( 1.081 -9.075 -6.379) 11.146 3.873 ( 8.125 -2.687 -2.869) 9.026 4.386 ( -1.320 -1.571 7.955) 8.216 4.443 ( 1.610 0.670 3.100) 3.557 4.488 ( -6.952 -18.366 20.820) 28.621 5.059 ( -3.123 3.985 7.964) 9.437 5.181 ( 4.154 -4.853 15.322) 16.601 8.742 ( 3.282 10.789 -10.882) 15.671 9.185 ( -3.395 -8.048 -3.864) 9.551 9.518 ( 0.352 -23.490 -6.722) 24.436 10.759 ( -0.179 6.932 5.106) 8.611 11.995 ( -0.250 -0.512 10.917) 10.931 12.032 ( 0.265 -4.527 11.640) 12.493 19.178 ( -0.725 48.489 -55.212) 73.485 21.171 ( 14.360 2.169 1.440) 14.595 21.729 ( -18.285 2.853 7.607) 20.009 22.646 ( 2.870 -10.398 19.304) 22.113 22.863 ( -1.721 0.057 -1.672) 2.400 23.011 ( -0.654 0.742 -3.724) 3.853 23.062 ( 5.641 -30.529 27.749) 41.639 23.859 ( -0.648 -4.496 6.670) 8.070 24.685 ( 0.133 1.247 -9.088) 9.174 25.606 ( -1.010 23.375 -21.559) 31.815 51.190 ( -0.732 10.344 -8.302) 13.284 51.277 ( 1.069 -0.033 0.585) 1.219 51.307 ( -0.318 -3.558 2.543) 4.385 51.467 ( 1.055 0.871 -2.457) 2.813 51.841 ( -1.244 2.679 -3.661) 4.704 52.877 ( 0.182 -6.679 9.250) 11.411 53.467 ( -0.023 -1.074 -1.464) 1.815 53.687 ( 0.049 0.181 0.641) 0.668 ======================= Grid point 49 (39/105) ======================= q-point: (-0.18 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 15.599 -2.667 0.373) 15.830 1.930 ( 11.313 -1.773 -1.881) 11.605 2.372 ( 6.061 6.570 3.437) 9.577 2.703 ( 11.753 -0.251 -7.827) 14.123 2.903 ( -5.958 -14.776 6.912) 17.366 3.323 ( 4.216 11.874 -8.067) 14.961 3.893 ( -10.193 1.257 5.324) 11.568 4.225 ( -5.928 0.306 0.568) 5.963 4.380 ( 0.938 2.355 2.479) 3.546 4.494 ( 3.538 1.732 -4.107) 5.691 4.994 ( 0.973 0.802 4.969) 5.126 5.153 ( -0.713 -1.077 3.067) 3.328 8.299 ( 3.934 -10.429 -8.707) 14.144 9.772 ( -12.333 -12.275 11.400) 20.803 10.494 ( 6.277 24.851 -3.766) 25.906 10.760 ( 20.421 9.489 -2.968) 22.713 11.971 ( -4.799 3.244 -0.524) 5.816 12.239 ( 0.679 -0.505 8.465) 8.507 18.778 ( 5.519 5.551 -11.692) 14.071 20.217 ( -1.601 -21.094 3.753) 21.485 22.103 ( -8.539 12.114 2.841) 15.091 22.438 ( -4.309 -2.203 -3.262) 5.836 22.748 ( 0.783 0.209 4.956) 5.022 23.016 ( -1.422 2.905 -7.051) 7.758 23.894 ( 3.502 -3.446 18.360) 19.006 23.954 ( -0.070 -0.954 1.585) 1.852 24.561 ( -0.508 -1.015 -2.480) 2.728 24.933 ( -2.144 -3.571 -13.751) 14.368 50.974 ( -0.351 1.267 -2.852) 3.141 51.361 ( -0.948 -1.973 -0.115) 2.191 51.488 ( 5.168 1.875 1.171) 5.621 51.629 ( 5.661 3.193 3.619) 7.439 51.692 ( -7.110 4.095 -2.476) 8.570 52.694 ( -2.829 -8.606 0.687) 9.085 53.541 ( 0.882 1.042 -0.737) 1.552 53.680 ( -0.276 0.006 0.017) 0.276 ======================= Grid point 50 (40/105) ======================= q-point: (-0.18 -0.07 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 4.812 -3.354 -8.238) 10.113 1.969 ( 1.124 -3.048 7.560) 8.229 2.315 ( -10.369 -16.275 8.036) 20.904 2.664 ( 2.749 -6.648 3.805) 8.138 2.954 ( 13.645 -1.723 -5.281) 14.732 3.036 ( -8.650 1.380 -4.568) 9.879 4.025 ( -6.943 -2.569 0.499) 7.419 4.079 ( -1.629 0.771 -2.211) 2.852 4.460 ( 4.946 8.601 -0.904) 9.963 4.711 ( 3.219 5.553 -0.412) 6.431 5.032 ( -1.876 4.077 4.425) 6.303 5.163 ( -0.281 0.985 -1.161) 1.548 8.299 ( 9.433 -2.302 -4.780) 10.822 9.142 ( -13.011 -17.552 4.134) 22.236 11.117 ( 5.531 18.868 1.489) 19.719 11.317 ( 11.129 8.986 4.819) 15.094 11.935 ( -3.800 2.619 -8.029) 9.261 12.153 ( -5.435 -2.579 4.190) 7.332 19.059 ( 7.082 7.424 -3.833) 10.953 19.798 ( -2.703 -14.844 2.982) 15.380 22.141 ( -2.292 3.776 2.032) 4.862 22.309 ( -2.779 -2.480 -4.029) 5.487 22.804 ( -1.284 4.660 2.110) 5.274 23.061 ( 1.315 1.188 -4.028) 4.401 23.793 ( -3.665 -2.849 7.865) 9.133 23.917 ( 2.028 -4.808 0.404) 5.234 24.588 ( -0.710 3.681 0.284) 3.759 24.847 ( 1.758 -4.509 -5.452) 7.290 51.033 ( 1.064 3.252 -1.778) 3.856 51.286 ( -1.481 -2.626 0.471) 3.051 51.631 ( -0.024 3.042 1.080) 3.228 51.663 ( -3.122 5.749 -1.448) 6.701 51.823 ( 8.420 1.696 2.688) 8.999 52.410 ( -4.457 -10.698 -0.755) 11.613 53.581 ( 0.323 1.539 -0.515) 1.655 53.672 ( -0.079 -0.483 0.123) 0.505 ======================= Grid point 51 (41/105) ======================= q-point: ( 0.82 -0.07 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -2.002 6.421 -6.361) 9.257 1.788 ( 1.743 -12.791 -1.211) 12.965 2.104 ( -1.889 4.178 6.905) 8.289 2.416 ( 7.825 -9.955 0.363) 12.667 3.046 ( -4.866 0.124 -1.614) 5.128 3.174 ( 4.122 -0.522 -0.328) 4.168 3.933 ( 0.998 1.733 -0.545) 2.073 4.000 ( 3.427 -1.863 -0.793) 3.981 4.725 ( -0.947 3.346 1.108) 3.649 4.762 ( -0.957 0.949 -0.419) 1.412 5.045 ( -6.837 4.282 0.422) 8.078 5.168 ( -0.114 0.417 -0.303) 0.528 8.511 ( -4.911 -5.174 1.908) 7.385 8.655 ( 10.862 -2.748 -4.139) 11.944 11.441 ( -4.102 5.525 6.961) 9.788 11.512 ( -2.148 1.065 6.822) 7.231 11.927 ( -6.067 2.469 -6.088) 8.942 12.016 ( 1.167 2.046 -5.759) 6.222 19.339 ( 1.830 4.532 2.511) 5.495 19.477 ( 0.949 -8.882 -1.672) 9.088 22.163 ( -1.992 2.225 0.540) 3.035 22.266 ( 3.545 -1.461 -1.984) 4.318 22.863 ( -4.302 5.805 0.090) 7.226 23.092 ( 5.057 -5.203 -0.275) 7.261 23.708 ( -4.745 3.452 2.796) 6.500 23.842 ( 0.595 -3.671 -1.384) 3.968 24.638 ( -2.351 3.184 -0.204) 3.963 24.832 ( 6.754 -4.738 0.043) 8.250 51.132 ( 0.406 3.396 0.036) 3.421 51.203 ( 0.412 -2.994 -0.494) 3.062 51.649 ( -3.654 4.308 0.443) 5.666 51.732 ( -0.170 1.761 -0.092) 1.772 51.974 ( -5.361 -2.241 3.205) 6.636 52.163 ( 7.868 -4.128 -3.066) 9.399 53.617 ( -0.295 1.607 -0.026) 1.634 53.655 ( 0.309 -1.258 0.026) 1.296 ======================= Grid point 52 (42/105) ======================= q-point: (-0.18 -0.07 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.883 -11.677 -10.862) 15.973 1.942 ( 7.667 15.802 0.183) 17.565 2.156 ( -0.314 1.919 12.952) 13.098 2.594 ( 7.778 1.843 -1.978) 8.234 2.818 ( -6.591 -6.050 -8.450) 12.306 3.240 ( 9.423 2.570 0.286) 9.772 4.078 ( 4.739 3.310 3.353) 6.683 4.167 ( 7.389 2.450 0.110) 7.785 4.525 ( -6.550 -8.420 -1.071) 10.721 4.675 ( -8.726 -3.612 1.537) 9.568 4.981 ( -6.090 3.451 1.790) 7.225 5.159 ( -1.451 0.237 -0.591) 1.585 8.191 ( -3.473 -6.259 -7.943) 10.692 9.171 ( 18.261 11.493 4.678) 22.078 11.156 ( -18.657 -7.008 3.775) 20.284 11.269 ( -9.417 -8.988 1.008) 13.057 11.969 ( 0.536 4.313 -6.344) 7.690 12.135 ( 0.395 4.536 3.854) 5.965 19.099 ( -6.285 -8.863 -2.935) 11.255 19.690 ( 9.037 5.709 -0.283) 10.693 22.214 ( 2.092 3.559 3.262) 5.262 22.350 ( 5.206 -0.253 -1.564) 5.441 22.834 ( -6.905 2.198 3.583) 8.083 23.070 ( 2.515 -3.753 -4.318) 6.249 23.649 ( -5.564 1.007 5.283) 7.738 23.887 ( 2.540 4.147 -3.681) 6.099 24.621 ( -1.770 -0.112 1.902) 2.601 24.925 ( 8.991 -3.005 -2.131) 9.717 51.113 ( 0.970 -3.642 0.573) 3.812 51.247 ( 1.000 2.482 -0.135) 2.679 51.641 ( -6.815 -5.938 2.399) 9.352 51.650 ( -4.598 2.441 0.722) 5.255 51.771 ( -1.998 1.623 -3.595) 4.422 52.410 ( 10.304 3.069 -0.229) 10.754 53.608 ( -0.500 -1.474 0.561) 1.654 53.656 ( 0.071 0.818 -0.479) 0.950 ======================= Grid point 53 (43/105) ======================= q-point: (-0.18 -0.07 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -1.292 -13.391 -14.797) 19.998 1.802 ( -11.476 -12.639 7.923) 18.821 2.452 ( 3.429 4.485 0.318) 5.655 2.625 ( -2.943 -2.958 -11.843) 12.557 2.776 ( 9.056 3.635 5.895) 11.400 3.499 ( -2.157 -8.236 -5.155) 9.953 3.998 ( -2.440 -4.774 0.531) 5.388 4.313 ( 4.164 0.782 3.735) 5.648 4.334 ( -9.823 -2.470 3.714) 10.788 4.521 ( 6.835 6.579 0.294) 9.492 4.917 ( -3.836 1.249 4.831) 6.294 5.138 ( -0.158 -0.223 2.513) 2.528 8.148 ( 3.589 1.846 -12.013) 12.673 9.801 ( 14.903 12.214 10.094) 21.753 10.474 ( -25.602 -10.795 0.896) 27.799 10.805 ( -7.640 -16.696 -7.050) 19.668 12.039 ( -1.602 3.142 -0.003) 3.527 12.182 ( -1.013 0.251 8.450) 8.514 18.804 ( -4.907 -6.764 -11.720) 14.394 20.048 ( 12.590 7.301 -0.123) 14.554 22.397 ( 6.996 3.555 6.432) 10.147 22.466 ( 4.253 1.649 -0.764) 4.625 22.667 ( -11.071 0.488 6.293) 12.744 23.045 ( -1.366 0.207 -8.634) 8.744 23.558 ( -6.059 2.107 12.055) 13.656 24.022 ( 2.170 1.986 -2.956) 4.171 24.588 ( 0.466 -0.792 0.859) 1.258 25.064 ( 8.981 -1.960 -7.277) 11.724 51.060 ( 2.094 -4.205 -1.149) 4.836 51.308 ( -0.365 2.922 1.118) 3.150 51.398 ( -6.317 -1.740 0.911) 6.616 51.588 ( -2.997 -1.697 2.352) 4.171 51.796 ( -0.725 2.591 -4.777) 5.482 52.676 ( 8.155 3.188 0.929) 8.805 53.558 ( -0.661 -1.926 -0.157) 2.042 53.672 ( -0.201 0.752 0.007) 0.778 ======================= Grid point 55 (44/105) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -2.746 -10.473 -8.068) 13.502 2.088 ( 13.443 -19.222 -12.925) 26.782 2.309 ( -9.834 2.410 7.766) 12.760 2.836 ( 2.637 -11.583 0.545) 11.892 2.958 ( 3.097 1.796 -0.438) 3.606 3.372 ( -7.677 -22.272 -20.378) 31.149 3.747 ( -5.310 1.071 6.092) 8.152 4.195 ( 4.884 8.091 -0.924) 9.496 4.307 ( -0.539 0.248 4.218) 4.260 4.540 ( -1.773 -1.279 3.485) 4.114 4.730 ( 3.444 2.096 11.319) 12.016 5.022 ( 0.612 -3.070 10.361) 10.823 8.895 ( 5.454 -0.724 -16.169) 17.079 9.586 ( -8.644 -1.090 -5.535) 10.322 10.024 ( 6.242 3.441 2.951) 7.715 10.798 ( -3.043 -13.289 -7.137) 15.388 11.720 ( -0.582 0.214 13.066) 13.081 11.984 ( 0.588 -5.588 12.992) 14.154 19.027 ( -0.488 7.519 -17.481) 19.035 21.093 ( 28.370 0.994 -3.850) 28.647 21.266 ( -30.471 6.065 12.129) 33.353 22.512 ( -0.585 1.740 0.135) 1.840 22.892 ( 9.374 4.043 -1.796) 10.366 22.909 ( -6.033 0.555 2.001) 6.381 23.387 ( 3.167 -8.258 4.517) 9.931 23.969 ( -2.552 -4.233 5.306) 7.252 24.780 ( 0.589 3.096 -7.873) 8.480 25.348 ( -1.213 5.554 -3.121) 6.486 51.124 ( -2.257 0.558 -5.169) 5.668 51.284 ( 2.699 0.245 1.612) 3.153 51.348 ( 5.116 -1.013 3.094) 6.064 51.503 ( 0.060 -1.915 0.187) 1.925 51.739 ( -6.548 5.651 -4.436) 9.721 52.855 ( 0.627 -1.009 3.856) 4.035 53.554 ( -0.091 -1.228 -1.213) 1.728 53.653 ( 0.428 0.556 0.905) 1.145 ======================= Grid point 56 (45/105) ======================= q-point: (-0.42 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 4.538 -8.707 -11.251) 14.933 1.830 ( 2.995 -23.565 -12.219) 26.712 2.189 ( -3.856 2.916 4.184) 6.393 2.607 ( 8.159 -13.393 -7.517) 17.391 2.870 ( 1.661 -12.307 -4.297) 13.141 3.070 ( 8.999 -7.212 -17.620) 21.058 3.881 ( 3.203 10.162 11.384) 15.592 4.229 ( -4.595 -5.168 7.501) 10.202 4.331 ( -2.738 -0.488 2.408) 3.679 4.496 ( 5.238 0.661 -3.706) 6.451 4.800 ( 0.968 -0.920 12.793) 12.862 4.943 ( 0.837 -5.121 15.224) 16.084 8.811 ( -10.960 3.170 -17.426) 20.829 9.627 ( 11.186 -1.754 -6.835) 13.226 10.245 ( 12.941 -7.331 -7.985) 16.881 10.445 ( -5.847 -5.302 0.009) 7.893 11.749 ( 4.183 -1.719 17.886) 18.449 11.868 ( 2.034 -7.145 17.126) 18.668 19.263 ( -3.572 16.159 -27.612) 32.192 20.653 ( -26.818 2.056 6.589) 27.692 21.840 ( 25.752 8.915 3.376) 27.459 22.529 ( -1.200 -1.133 4.657) 4.941 22.732 ( -8.138 -2.002 3.171) 8.960 23.121 ( 3.472 -0.240 -5.654) 6.640 23.281 ( 6.383 -10.535 10.949) 16.481 23.824 ( 0.827 -4.175 6.166) 7.493 24.820 ( -3.406 3.671 -10.281) 11.436 25.425 ( -6.530 9.519 -6.122) 13.066 51.121 ( -2.753 3.728 -5.129) 6.912 51.316 ( 1.074 -2.540 1.347) 3.069 51.356 ( 3.940 -3.970 3.462) 6.578 51.485 ( -3.837 -0.253 -2.011) 4.339 51.840 ( 3.629 8.041 -4.627) 9.961 52.780 ( -3.375 -2.028 6.032) 7.203 53.529 ( 0.236 -1.015 -1.481) 1.811 53.674 ( 0.478 -0.039 0.707) 0.854 ======================= Grid point 57 (46/105) ======================= q-point: (-0.42 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 12.932 -0.889 -13.954) 19.046 1.388 ( 9.073 -6.230 -21.554) 24.202 2.396 ( 13.572 5.802 6.619) 16.176 2.559 ( 0.971 -9.798 11.706) 15.296 2.857 ( 9.632 0.011 -23.430) 25.333 3.120 ( 16.963 -11.133 -14.584) 24.988 3.956 ( -2.212 -9.506 0.591) 9.778 4.140 ( -2.871 10.305 9.071) 14.026 4.298 ( 0.296 -0.133 5.131) 5.142 4.584 ( 2.621 -2.680 4.188) 5.621 4.759 ( -2.810 0.118 13.075) 13.374 4.912 ( 4.699 -1.440 13.204) 14.089 8.739 ( -6.258 8.969 -20.654) 23.371 9.796 ( 9.765 -8.822 -8.902) 15.888 10.007 ( -3.032 -7.395 -0.285) 7.997 10.591 ( 10.714 0.044 -4.121) 11.480 11.761 ( 2.480 -4.637 18.919) 19.636 11.853 ( 6.371 -1.599 16.244) 17.522 19.283 ( -15.907 3.624 -27.133) 31.660 20.553 ( -4.931 22.611 -0.174) 23.143 22.062 ( -6.050 -27.908 13.334) 31.516 22.441 ( 5.710 8.424 6.307) 11.973 22.724 ( -2.284 8.509 -2.263) 9.097 23.066 ( 3.397 -8.174 11.447) 14.470 23.207 ( 2.710 -2.164 -7.945) 8.669 23.890 ( 7.492 -1.659 6.709) 10.193 24.809 ( -4.239 3.359 -10.594) 11.895 25.450 ( -8.300 6.613 -3.996) 11.340 51.152 ( -2.163 3.514 -4.375) 6.014 51.259 ( -0.190 -1.497 1.468) 2.105 51.327 ( -0.928 -2.594 1.634) 3.203 51.449 ( 1.646 0.822 0.469) 1.898 51.961 ( -2.388 -2.416 -7.736) 8.449 52.757 ( 1.330 3.546 7.135) 8.078 53.530 ( 1.076 -0.209 -1.331) 1.724 53.665 ( -0.342 -0.561 0.964) 1.166 ======================= Grid point 60 (47/105) ======================= q-point: ( 0.58 -0.08 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -1.926 7.370 -4.379) 8.786 1.938 ( -15.903 -8.525 13.263) 22.393 2.177 ( 11.496 -7.792 3.709) 14.375 2.759 ( -3.587 -8.660 -1.356) 9.471 2.891 ( -1.385 2.315 4.400) 5.161 3.514 ( 6.594 -14.047 1.320) 15.574 4.053 ( 1.812 -1.785 -5.171) 5.763 4.184 ( 2.491 3.960 -8.652) 9.836 4.381 ( 0.660 7.848 0.017) 7.876 4.469 ( -9.027 5.250 4.022) 11.191 4.816 ( -0.220 5.601 -2.025) 5.960 5.111 ( -1.583 2.719 -1.767) 3.609 8.458 ( -1.255 -7.285 11.995) 14.090 9.404 ( 5.466 -15.904 -5.750) 17.773 10.632 ( -3.706 24.686 0.799) 24.976 11.184 ( -4.195 6.322 4.773) 8.964 11.923 ( 0.306 6.729 -5.918) 8.967 12.051 ( -1.774 -0.691 -2.693) 3.298 19.056 ( 1.211 4.821 3.944) 6.346 20.028 ( -0.597 -18.810 4.842) 19.432 22.094 ( 6.309 7.610 -6.620) 11.897 22.423 ( -1.411 -2.391 -5.250) 5.939 22.650 ( -0.527 2.971 3.089) 4.319 23.106 ( 1.057 3.905 -2.535) 4.774 23.512 ( -5.919 1.770 3.177) 6.947 24.030 ( 2.265 -2.535 2.036) 3.963 24.595 ( 0.705 -2.465 0.874) 2.708 25.112 ( 1.785 -7.220 -1.828) 7.658 51.095 ( 0.824 -1.047 -3.236) 3.500 51.271 ( -1.856 -0.925 0.606) 2.160 51.433 ( -3.966 7.601 -1.030) 8.636 51.584 ( -0.313 1.781 -0.154) 1.815 51.828 ( 6.235 3.032 6.259) 9.341 52.616 ( -0.422 -9.933 -1.535) 10.060 53.579 ( -0.567 0.465 -0.904) 1.164 53.663 ( 0.172 0.527 0.361) 0.662 ======================= Grid point 61 (48/105) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -9.403 5.200 -1.725) 10.883 1.892 ( 4.597 -0.778 6.591) 8.073 2.375 ( 14.773 -10.507 -8.651) 20.086 2.508 ( -6.284 6.473 -0.870) 9.063 2.928 ( -1.501 1.950 8.618) 8.962 3.354 ( 5.867 -13.063 0.398) 14.325 4.079 ( 1.850 1.240 -0.209) 2.237 4.120 ( -3.211 -2.801 -3.410) 5.458 4.388 ( -6.959 4.342 0.470) 8.216 4.614 ( -1.251 7.636 1.884) 7.964 4.908 ( -2.898 3.851 -4.567) 6.640 5.121 ( -2.478 2.859 -2.995) 4.825 8.399 ( 3.126 -1.086 13.238) 13.645 9.263 ( 12.617 -13.929 -10.608) 21.581 10.967 ( -9.037 16.554 3.450) 19.173 11.095 ( -14.638 6.373 7.918) 17.821 11.978 ( -2.606 1.312 -11.084) 11.462 12.041 ( -1.214 2.561 -4.804) 5.578 19.138 ( -2.303 1.520 11.923) 12.238 19.818 ( 9.236 -7.373 -3.234) 12.252 22.148 ( -1.712 -3.802 -3.460) 5.418 22.429 ( 5.189 -1.800 0.129) 5.494 22.697 ( -4.641 3.884 -3.533) 7.008 23.213 ( 1.973 -1.811 6.775) 7.285 23.510 ( -0.576 8.668 -7.984) 11.799 23.955 ( -1.830 -4.268 -1.693) 4.943 24.591 ( 1.026 -0.687 1.958) 2.315 25.032 ( 5.076 -5.608 4.532) 8.818 51.064 ( -1.522 0.038 1.873) 2.414 51.291 ( 3.032 -0.254 -1.046) 3.217 51.499 ( -2.937 5.576 -2.367) 6.732 51.626 ( -2.587 5.137 -1.630) 5.978 51.865 ( -3.024 -5.509 6.220) 8.841 52.492 ( 6.925 -5.048 -2.804) 9.017 53.576 ( -0.978 0.929 0.211) 1.365 53.676 ( 0.405 -0.155 0.093) 0.444 ======================= Grid point 62 (49/105) ======================= q-point: ( 0.58 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -3.172 13.088 0.863) 13.495 1.964 ( 4.416 -0.503 -2.926) 5.321 2.347 ( 11.706 -13.208 -10.350) 20.460 2.697 ( 2.512 5.636 0.649) 6.205 2.942 ( 0.215 0.529 -1.551) 1.653 3.402 ( 15.016 1.480 2.229) 15.253 4.010 ( -7.838 5.144 3.283) 9.934 4.119 ( -3.029 -0.084 8.170) 8.713 4.334 ( -2.177 1.233 -3.041) 3.938 4.624 ( -5.075 -1.254 2.010) 5.600 4.837 ( -3.833 -2.328 -4.576) 6.407 5.113 ( -2.895 1.329 -2.102) 3.817 8.496 ( 8.471 -1.802 0.645) 8.684 9.378 ( 14.856 -3.365 -3.783) 15.695 10.663 ( -24.492 0.650 4.783) 24.963 11.142 ( -6.525 8.108 1.377) 10.498 11.906 ( -6.645 1.016 -2.401) 7.138 12.067 ( 0.543 0.464 -5.222) 5.270 19.047 ( -4.857 -0.441 6.673) 8.265 20.059 ( 19.816 -2.041 -6.679) 21.011 22.007 ( -9.338 1.411 2.423) 9.750 22.463 ( 1.609 -2.272 5.024) 5.744 22.652 ( -1.415 0.300 -5.054) 5.257 23.125 ( -3.563 -2.325 6.113) 7.448 23.607 ( -2.173 -2.173 -7.754) 8.341 23.948 ( 2.944 4.480 -4.714) 7.139 24.602 ( 2.667 -1.240 2.449) 3.827 25.101 ( 6.708 -0.796 5.380) 8.636 51.065 ( 0.231 1.465 4.350) 4.595 51.326 ( 2.641 -2.504 -0.277) 3.650 51.519 ( -6.246 -0.394 -1.297) 6.391 51.593 ( -3.311 -4.404 1.525) 5.717 51.687 ( -3.670 6.708 -4.188) 8.719 52.634 ( 9.739 -1.103 -0.704) 9.827 53.578 ( -0.495 0.638 1.178) 1.428 53.668 ( -0.378 -0.555 -0.370) 0.767 ======================= Grid point 64 (50/105) ======================= q-point: ( 0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.861 8.459 -20.773) 22.446 2.256 ( -6.670 9.983 1.439) 12.092 2.355 ( -4.307 2.934 2.381) 5.729 2.718 ( -6.994 4.204 12.798) 15.178 3.111 ( 1.105 -5.794 -4.316) 7.309 3.424 ( 3.509 7.397 9.411) 12.474 3.933 ( 8.868 9.584 -1.413) 13.133 4.016 ( 2.418 0.652 1.805) 3.087 4.333 ( -0.057 -1.497 -0.923) 1.760 4.496 ( -1.814 -9.696 -1.566) 9.988 4.836 ( -1.600 -4.618 -4.768) 6.828 5.119 ( 0.330 -6.316 -2.499) 6.800 8.738 ( -9.801 9.152 8.097) 15.664 9.713 ( 6.540 4.781 -9.674) 12.618 10.038 ( -0.544 -3.864 -4.379) 5.865 10.878 ( -0.321 10.204 8.362) 13.196 11.727 ( 1.115 -8.566 2.020) 8.872 12.168 ( -0.793 -5.181 -4.249) 6.747 18.823 ( 0.802 8.995 4.638) 10.152 20.970 ( -29.348 -1.583 4.171) 29.685 21.363 ( 30.810 -6.415 -8.176) 32.515 22.493 ( 1.695 -0.296 -0.594) 1.821 22.759 ( -5.204 -2.435 3.686) 6.827 22.912 ( 4.425 1.011 0.216) 4.544 23.630 ( -4.160 -1.013 -9.768) 10.665 24.003 ( -1.424 -2.872 4.582) 5.591 24.727 ( -1.480 4.061 -2.248) 4.873 25.199 ( 4.778 0.838 5.486) 7.323 51.078 ( 4.977 3.529 2.376) 6.548 51.281 ( -2.399 -2.310 -1.462) 3.637 51.439 ( -2.471 -0.622 -3.157) 4.057 51.531 ( 0.979 0.433 0.649) 1.252 51.600 ( -1.471 0.423 2.166) 2.653 52.881 ( -0.189 -1.834 -0.394) 1.885 53.565 ( 0.859 1.371 0.436) 1.676 53.649 ( -0.375 -0.953 -0.251) 1.055 ======================= Grid point 65 (51/105) ======================= q-point: (-0.65 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -0.426 -11.411 -11.890) 16.486 2.030 ( -6.780 -1.438 -1.201) 7.034 2.435 ( -12.074 16.767 6.915) 21.788 2.767 ( 2.784 2.444 -4.520) 5.844 2.906 ( -4.530 -7.520 7.033) 11.248 3.474 ( -0.165 -1.857 11.377) 11.528 4.051 ( -2.126 -14.130 -6.820) 15.833 4.166 ( 5.717 4.083 -4.897) 8.564 4.291 ( 1.061 -2.971 -1.833) 3.649 4.496 ( 6.752 8.932 1.972) 11.369 4.734 ( 2.210 -5.223 0.281) 5.678 4.992 ( 1.329 -7.118 3.838) 8.195 8.683 ( -14.658 14.130 3.867) 20.723 9.691 ( -8.954 -5.007 -8.061) 13.047 10.312 ( 21.159 5.035 -7.509) 23.009 11.019 ( 3.916 -0.472 3.083) 5.006 11.619 ( 6.372 -9.146 9.062) 14.366 11.993 ( 0.145 -10.140 2.058) 10.348 19.084 ( 3.249 11.234 -4.338) 12.473 20.396 ( -25.221 1.517 5.762) 25.915 21.783 ( 21.515 -6.116 -5.466) 23.026 22.508 ( 0.590 0.092 -1.559) 1.670 22.634 ( -6.057 1.591 4.350) 7.625 23.091 ( 7.466 3.949 -1.504) 8.579 23.541 ( -0.640 -3.968 -4.471) 6.012 23.869 ( -2.635 -4.834 7.760) 9.515 24.761 ( -4.753 5.729 -4.190) 8.542 25.257 ( -1.807 1.913 0.411) 2.663 51.188 ( -1.627 -1.328 -4.040) 4.553 51.335 ( 7.985 3.289 0.856) 8.678 51.411 ( -2.076 2.733 -1.658) 3.811 51.537 ( 0.796 -2.846 3.201) 4.357 51.559 ( 0.376 0.798 0.730) 1.145 52.779 ( -5.735 -1.555 1.125) 6.047 53.598 ( 0.198 -0.571 -1.132) 1.283 53.641 ( 0.930 0.652 0.776) 1.376 ======================= Grid point 66 (52/105) ======================= q-point: (-0.65 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -2.187 -6.044 1.731) 6.656 2.090 ( 4.219 3.453 -3.079) 6.262 2.387 ( -9.489 -2.275 -1.461) 9.867 2.558 ( -6.272 -5.706 3.087) 9.023 3.023 ( 3.309 7.838 -6.310) 10.592 3.405 ( -3.646 6.118 6.636) 9.734 3.945 ( 7.663 -4.289 -0.042) 8.781 4.192 ( -3.023 -4.614 -4.376) 7.041 4.269 ( 5.648 -6.049 -1.985) 8.511 4.651 ( 1.158 -2.524 -2.397) 3.668 4.711 ( 3.955 -3.419 6.397) 8.261 4.920 ( 5.774 -6.582 7.337) 11.424 8.757 ( -7.454 13.491 -8.294) 17.503 9.384 ( -15.650 4.568 3.608) 16.697 10.829 ( 20.356 -2.750 -11.816) 23.696 11.028 ( 9.201 -10.042 -8.819) 16.226 11.579 ( 6.312 -8.019 16.719) 19.588 11.798 ( 3.425 -9.955 10.934) 15.179 19.402 ( 1.627 11.434 -13.520) 17.781 19.973 ( -17.567 3.498 6.944) 19.210 22.033 ( 7.811 1.533 -0.516) 7.977 22.479 ( -5.460 -4.034 6.608) 9.474 22.596 ( 3.367 1.684 -2.895) 4.749 23.309 ( -0.670 -1.189 3.009) 3.305 23.394 ( 4.430 -5.342 -5.411) 8.801 23.787 ( 2.654 -0.633 6.487) 7.038 24.770 ( -6.212 6.141 -5.618) 10.386 25.226 ( -6.031 3.616 -0.810) 7.079 51.129 ( -1.938 -0.350 -3.236) 3.788 51.342 ( -3.313 -1.342 1.493) 3.874 51.425 ( 0.193 -2.256 0.423) 2.303 51.502 ( 4.756 -4.581 1.751) 6.832 51.850 ( 8.782 11.676 -3.827) 15.103 52.590 ( -8.532 -1.348 3.277) 9.239 53.575 ( 0.107 -1.259 -0.566) 1.385 53.675 ( 0.410 0.359 0.184) 0.575 ======================= Grid point 67 (53/105) ======================= q-point: (-0.65 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 9.447 14.419 -3.293) 17.550 2.096 ( 1.561 -5.639 -14.031) 15.203 2.356 ( -6.175 -0.304 4.676) 7.752 2.439 ( 14.081 5.919 4.757) 15.998 3.122 ( -6.610 1.306 -8.137) 10.564 3.602 ( 0.160 12.658 0.648) 12.676 4.016 ( -4.987 3.965 8.791) 10.857 4.051 ( 0.497 -5.148 2.095) 5.580 4.209 ( 12.342 -13.568 -5.107) 19.040 4.536 ( -2.017 -3.537 0.610) 4.117 4.726 ( 4.423 -6.339 0.868) 7.778 4.909 ( 6.631 -5.581 7.686) 11.584 8.825 ( -8.047 8.433 -15.001) 18.997 9.381 ( -6.223 16.957 8.022) 19.764 10.718 ( 3.067 -22.150 -13.202) 25.968 11.162 ( 10.296 -7.211 -8.583) 15.221 11.581 ( 7.310 -6.550 16.681) 19.354 11.782 ( 10.112 -3.453 11.783) 15.907 19.362 ( -12.711 -1.389 -9.328) 15.827 20.078 ( 1.383 20.154 -1.261) 20.240 22.091 ( -6.334 -10.924 5.330) 13.706 22.280 ( 1.493 3.045 5.097) 6.122 22.700 ( 1.952 1.450 -4.020) 4.698 23.056 ( -2.591 -8.395 6.522) 10.942 23.518 ( 6.030 -0.794 -9.808) 11.541 23.911 ( 6.167 0.510 7.126) 9.438 24.770 ( -6.295 6.862 -6.718) 11.483 25.174 ( -6.975 4.697 2.143) 8.678 51.093 ( -2.587 1.156 0.213) 2.841 51.263 ( -0.200 -1.022 0.151) 1.053 51.364 ( 0.791 -3.939 0.292) 4.028 51.526 ( 4.008 -2.638 0.600) 4.836 52.107 ( -4.136 -0.317 -8.982) 9.893 52.510 ( 1.137 7.713 6.972) 10.459 53.560 ( 0.251 -0.422 0.063) 0.495 53.669 ( -0.108 -0.961 0.121) 0.974 ======================= Grid point 68 (54/105) ======================= q-point: (-0.65 -0.10 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -1.237 -1.937 -13.660) 13.853 2.221 ( -0.611 2.440 -0.003) 2.515 2.515 ( 16.557 8.121 -10.820) 21.381 2.800 ( -11.172 -2.786 0.480) 11.524 2.942 ( 9.032 5.223 4.953) 11.550 3.656 ( -7.230 -16.048 9.290) 19.903 3.851 ( -3.955 12.448 -0.518) 13.072 4.046 ( -7.246 6.044 4.304) 10.371 4.298 ( 9.563 -3.442 -0.929) 10.206 4.453 ( -0.512 -4.769 -0.685) 4.845 4.712 ( 8.823 -3.372 -2.877) 9.873 4.986 ( 6.508 -1.349 4.677) 8.127 8.862 ( -8.910 11.564 -3.625) 15.042 9.672 ( 2.656 9.604 -5.436) 11.350 10.213 ( -3.971 -20.555 -6.402) 21.892 11.094 ( -1.615 -6.716 1.086) 6.992 11.592 ( 7.699 -4.998 11.055) 14.369 12.003 ( 11.319 -0.634 1.346) 11.416 19.054 ( -11.499 -1.900 -2.725) 11.969 20.644 ( 3.806 26.797 -5.837) 27.688 21.565 ( -2.644 -25.218 6.408) 26.154 22.427 ( -0.545 5.813 1.584) 6.049 22.749 ( 0.633 1.634 -2.566) 3.108 22.911 ( -0.397 -3.073 5.035) 5.912 23.614 ( 6.119 -2.454 -8.402) 10.680 23.991 ( 3.372 -2.451 5.162) 6.635 24.791 ( -5.178 5.317 -7.572) 10.602 25.141 ( -4.881 4.958 6.947) 9.832 51.067 ( -3.701 3.110 2.370) 5.384 51.298 ( 1.656 -1.640 0.552) 2.396 51.327 ( 4.325 -0.513 -2.026) 4.804 51.546 ( 1.608 -1.241 0.528) 2.099 51.840 ( -8.325 -7.014 -3.750) 11.514 52.760 ( 3.117 6.768 1.617) 7.625 53.564 ( -0.270 0.650 0.452) 0.837 53.648 ( 0.468 -1.028 0.021) 1.129 ======================= Grid point 71 (55/105) ======================= q-point: ( 0.35 -0.10 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -3.414 14.243 8.107) 16.740 1.572 ( -7.806 20.008 4.128) 21.870 2.362 ( -5.874 -4.041 -2.969) 7.723 2.530 ( -7.532 5.396 11.471) 14.746 2.941 ( 6.676 2.922 -7.664) 10.575 3.110 ( -23.289 12.905 10.499) 28.620 4.099 ( 10.364 -0.858 -4.069) 11.167 4.210 ( -4.831 4.281 -3.100) 7.161 4.393 ( 2.905 -2.570 -4.156) 5.685 4.561 ( -3.894 -11.265 -1.676) 12.036 4.951 ( 1.611 1.796 -4.040) 4.706 5.156 ( 3.099 0.613 -6.771) 7.471 8.276 ( 9.707 -1.879 11.340) 15.045 9.952 ( -4.898 -1.179 -12.910) 13.858 10.286 ( -4.235 20.110 3.135) 20.789 10.435 ( -13.753 -0.201 7.632) 15.730 12.049 ( -1.980 -2.383 -2.914) 4.253 12.176 ( -0.358 4.474 -10.403) 11.330 18.696 ( -3.264 2.088 19.770) 20.146 20.288 ( 16.269 -6.330 -1.989) 17.570 22.315 ( -11.115 -10.236 -3.914) 15.609 22.539 ( 3.034 -5.143 2.276) 6.391 22.688 ( 2.864 5.576 -8.922) 10.904 23.042 ( -1.336 -0.624 8.490) 8.617 23.673 ( 7.405 13.157 -20.989) 25.855 24.007 ( -3.634 -1.502 -3.255) 5.105 24.586 ( 1.063 -1.617 3.601) 4.089 25.050 ( 1.268 -8.566 16.283) 18.442 51.002 ( -1.156 -2.215 3.128) 4.004 51.360 ( 0.438 2.650 -1.205) 2.944 51.384 ( 1.790 2.518 0.189) 3.095 51.527 ( -3.876 3.946 -3.640) 6.621 51.813 ( -1.086 -3.649 4.001) 5.523 52.766 ( 5.233 -4.222 -1.837) 6.970 53.521 ( -1.408 0.903 0.736) 1.827 53.683 ( 0.282 0.012 -0.126) 0.309 ======================= Grid point 73 (56/105) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.988 26.800 -0.000) 26.818 1.214 ( -25.767 27.230 -0.000) 37.489 1.851 ( 12.663 32.453 -0.000) 34.836 2.523 ( 7.694 10.761 -0.000) 13.229 2.580 ( 6.812 0.110 0.000) 6.813 2.890 ( -6.638 14.132 -0.000) 15.613 3.910 ( -13.711 1.842 -0.000) 13.834 4.285 ( 1.517 -8.800 0.000) 8.930 4.440 ( -0.867 -2.163 0.000) 2.330 4.924 ( 14.412 -10.815 0.000) 18.018 4.938 ( -0.774 0.636 -0.000) 1.001 5.442 ( -5.471 -3.312 -0.000) 6.396 8.467 ( -8.466 -3.560 -0.000) 9.185 9.383 ( 4.612 8.124 -0.000) 9.342 9.960 ( 1.484 23.005 -0.000) 23.053 10.603 ( 0.111 -11.642 0.000) 11.643 12.029 ( 1.505 -4.300 0.000) 4.556 12.247 ( -1.438 4.068 -0.000) 4.315 18.304 ( 0.245 8.096 -0.000) 8.099 21.105 ( -26.306 -4.618 -0.000) 26.708 21.737 ( 31.325 -4.708 0.000) 31.677 22.642 ( 0.518 -6.179 0.000) 6.201 22.847 ( 0.733 0.754 -0.000) 1.052 22.895 ( -2.259 -4.320 0.000) 4.875 23.975 ( 0.059 1.014 -0.000) 1.015 24.001 ( -13.765 -7.550 -0.000) 15.699 24.618 ( -0.917 1.405 -0.000) 1.678 24.926 ( 10.782 7.234 0.000) 12.984 50.982 ( 1.714 -0.934 0.000) 1.952 51.338 ( -2.645 2.710 -0.000) 3.787 51.399 ( -1.362 -2.078 0.000) 2.485 51.449 ( 0.592 4.719 -0.000) 4.756 51.723 ( 1.756 -4.652 0.000) 4.972 52.982 ( -0.357 -2.093 0.000) 2.124 53.483 ( 0.204 1.785 -0.000) 1.797 53.687 ( -0.044 -0.476 0.000) 0.478 ======================= Grid point 74 (57/105) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -19.512 26.132 -0.000) 32.613 1.745 ( 5.835 23.334 -0.000) 24.052 2.346 ( 6.706 1.755 0.000) 6.932 2.544 ( -2.816 -8.071 0.000) 8.548 3.025 ( -7.217 4.874 -0.000) 8.708 3.234 ( 12.632 21.471 -0.000) 24.912 3.880 ( 4.522 4.880 -0.000) 6.653 4.181 ( 7.012 -3.722 0.000) 7.938 4.393 ( -0.134 -1.928 0.000) 1.932 4.759 ( -5.509 -14.996 0.000) 15.976 4.927 ( 0.424 -1.210 0.000) 1.282 5.229 ( -5.352 -1.966 -0.000) 5.702 8.177 ( -12.435 1.474 -0.000) 12.522 9.955 ( 23.968 11.828 0.000) 26.727 10.229 ( -10.950 -12.734 0.000) 16.795 10.512 ( 8.113 18.258 -0.000) 19.979 11.970 ( 4.137 -7.436 0.000) 8.509 12.269 ( -0.795 -0.191 -0.000) 0.818 18.560 ( 4.072 11.394 -0.000) 12.100 20.413 ( -23.473 -4.659 -0.000) 23.931 22.314 ( 28.882 -8.153 0.000) 30.010 22.524 ( -2.357 -2.765 0.000) 3.633 22.668 ( -7.659 -5.816 -0.000) 9.617 22.908 ( 1.116 3.508 -0.000) 3.681 23.722 ( -4.072 -2.431 -0.000) 4.743 23.962 ( 0.081 -3.116 0.000) 3.117 24.625 ( -1.437 1.838 -0.000) 2.333 25.113 ( -3.095 5.383 -0.000) 6.210 51.058 ( 1.840 4.472 -0.000) 4.836 51.325 ( -0.564 -2.544 0.000) 2.606 51.341 ( -0.757 1.803 -0.000) 1.955 51.557 ( 2.323 1.861 0.000) 2.976 51.685 ( 3.686 -5.026 0.000) 6.233 52.853 ( -6.827 -2.192 -0.000) 7.170 53.538 ( 0.850 2.226 -0.000) 2.383 53.671 ( -0.001 -0.920 0.000) 0.920 ======================= Grid point 75 (58/105) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -8.983 21.210 -0.000) 23.034 2.092 ( -8.181 -22.805 0.000) 24.228 2.343 ( 7.152 19.617 -0.000) 20.880 2.458 ( 4.756 -3.119 0.000) 5.687 2.808 ( -11.900 -0.256 -0.000) 11.902 3.441 ( -6.002 -5.959 -0.000) 8.457 4.196 ( -1.001 2.344 -0.000) 2.549 4.269 ( -1.616 -3.036 0.000) 3.440 4.411 ( 2.527 3.706 -0.000) 4.485 4.481 ( 10.788 3.883 0.000) 11.466 4.902 ( 3.136 -4.977 0.000) 5.883 5.121 ( 0.409 -3.631 0.000) 3.654 8.097 ( -4.890 9.362 -0.000) 10.562 9.641 ( -18.999 -11.578 -0.000) 22.249 10.734 ( 24.997 10.173 0.000) 26.988 11.028 ( 11.830 10.222 0.000) 15.635 11.874 ( 3.083 -9.381 0.000) 9.875 12.186 ( -0.279 -6.787 0.000) 6.793 18.930 ( 5.887 13.100 -0.000) 14.362 19.927 ( -15.259 -3.499 -0.000) 15.655 22.339 ( -1.576 -10.285 0.000) 10.405 22.426 ( -4.449 -0.048 -0.000) 4.449 22.662 ( 12.042 -3.199 0.000) 12.460 23.045 ( 0.451 7.509 -0.000) 7.523 23.671 ( 0.806 -0.006 0.000) 0.806 23.837 ( -0.837 -7.354 0.000) 7.401 24.639 ( -1.030 1.751 -0.000) 2.031 25.092 ( -8.052 4.743 -0.000) 9.345 51.181 ( -3.704 6.806 -0.000) 7.748 51.261 ( -0.545 -2.890 0.000) 2.941 51.454 ( 8.509 2.655 0.000) 8.913 51.617 ( 2.760 -0.736 0.000) 2.856 51.666 ( 4.026 -4.312 0.000) 5.899 52.627 ( -10.156 -1.814 -0.000) 10.317 53.605 ( 0.689 2.349 -0.000) 2.448 53.648 ( 0.105 -1.416 0.000) 1.420 ======================= Grid point 76 (59/105) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -2.195 -16.859 0.000) 17.001 1.764 ( -2.826 17.541 -0.000) 17.767 2.311 ( -6.126 -6.729 0.000) 9.100 2.576 ( -8.688 2.085 -0.000) 8.935 2.879 ( 7.091 13.236 -0.000) 15.016 3.225 ( -1.831 -0.824 -0.000) 2.008 4.009 ( -4.903 -6.046 0.000) 7.785 4.114 ( -7.177 -0.870 -0.000) 7.230 4.684 ( 4.377 4.248 0.000) 6.099 4.741 ( 3.742 0.573 0.000) 3.786 4.848 ( 9.072 -9.303 0.000) 12.994 5.100 ( 4.572 -4.141 0.000) 6.169 8.370 ( 3.396 17.298 -0.000) 17.629 9.013 ( -20.389 -6.767 -0.000) 21.483 11.320 ( 14.137 3.849 0.000) 14.652 11.491 ( 18.777 5.156 0.000) 19.472 11.675 ( -1.444 -11.971 0.000) 12.058 11.975 ( -0.883 -11.819 0.000) 11.852 19.342 ( 5.573 14.203 -0.000) 15.257 19.575 ( -11.651 -4.028 -0.000) 12.327 22.166 ( 0.023 -3.690 0.000) 3.690 22.318 ( -5.097 -0.857 -0.000) 5.169 22.771 ( 5.906 -3.791 0.000) 7.018 23.180 ( -3.837 5.607 -0.000) 6.794 23.698 ( 3.522 -4.921 0.000) 6.052 23.730 ( 3.391 0.841 0.000) 3.494 24.641 ( -1.718 0.899 -0.000) 1.939 25.004 ( -8.662 4.184 -0.000) 9.620 51.168 ( -1.756 -3.522 0.000) 3.936 51.213 ( -2.221 3.513 -0.000) 4.156 51.572 ( 4.142 -5.394 0.000) 6.801 51.670 ( 3.898 -3.614 0.000) 5.316 51.849 ( 8.979 10.674 -0.000) 13.948 52.360 ( -11.828 -1.292 -0.000) 11.899 53.615 ( 0.066 -1.777 0.000) 1.779 53.657 ( 0.048 1.592 -0.000) 1.592 ======================= Grid point 77 (60/105) ======================= q-point: ( 0.11 -0.11 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 5.317 7.565 -0.000) 9.246 2.047 ( -1.421 8.112 -0.000) 8.236 2.277 ( 4.101 13.099 -0.000) 13.727 2.582 ( 8.010 3.435 0.000) 8.715 3.094 ( -9.955 -5.829 -0.000) 11.536 3.152 ( -8.660 11.709 -0.000) 14.564 3.894 ( 3.695 -0.285 0.000) 3.706 4.015 ( -0.768 0.281 -0.000) 0.817 4.555 ( -4.569 -10.677 0.000) 11.613 4.742 ( 1.136 -4.322 0.000) 4.469 4.967 ( 9.556 -3.531 0.000) 10.188 5.087 ( 3.641 -5.492 0.000) 6.590 8.554 ( -16.836 1.519 -0.000) 16.905 8.924 ( 9.423 21.054 -0.000) 23.066 11.283 ( -5.686 -18.175 0.000) 19.043 11.590 ( 11.284 -1.585 0.000) 11.395 11.638 ( -6.090 -13.910 0.000) 15.185 11.955 ( 15.109 3.279 0.000) 15.460 19.235 ( -11.309 -5.516 -0.000) 12.583 19.766 ( 3.737 16.969 -0.000) 17.375 22.170 ( -2.228 -5.748 0.000) 6.165 22.181 ( 2.682 1.651 0.000) 3.149 22.787 ( 1.998 -1.855 0.000) 2.726 23.077 ( -3.599 -4.995 0.000) 6.157 23.823 ( 3.816 0.290 0.000) 3.827 23.838 ( 6.161 5.659 0.000) 8.365 24.607 ( -3.054 1.019 -0.000) 3.220 24.914 ( -7.401 3.360 -0.000) 8.128 51.051 ( -2.320 -3.124 0.000) 3.891 51.261 ( 1.066 2.199 -0.000) 2.444 51.529 ( 4.382 -6.336 0.000) 7.704 51.657 ( 1.793 -3.668 0.000) 4.082 52.080 ( -11.513 -1.625 -0.000) 11.627 52.275 ( 6.689 12.567 -0.000) 14.236 53.579 ( -0.095 -1.567 0.000) 1.570 53.675 ( -0.120 0.325 -0.000) 0.347 ======================= Grid point 78 (61/105) ======================= q-point: ( 0.11 -0.11 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -6.195 10.530 -0.000) 12.217 2.119 ( -3.908 4.431 -0.000) 5.908 2.610 ( -14.380 -9.995 -0.000) 17.513 2.820 ( 8.978 17.656 -0.000) 19.807 2.926 ( -0.023 -1.670 0.000) 1.670 3.178 ( -3.347 17.204 -0.000) 17.527 3.818 ( -3.005 -16.744 0.000) 17.011 4.066 ( 8.341 0.466 0.000) 8.354 4.397 ( 2.264 1.788 0.000) 2.884 4.548 ( -4.963 -8.441 0.000) 9.791 5.045 ( 2.481 -4.550 0.000) 5.183 5.089 ( 6.402 0.306 0.000) 6.410 8.384 ( -11.225 10.252 -0.000) 15.202 9.601 ( 12.952 19.200 -0.000) 23.160 10.657 ( -8.933 -26.663 0.000) 28.119 11.122 ( -14.678 -13.397 -0.000) 19.873 11.766 ( 10.132 -2.851 0.000) 10.525 12.243 ( 7.895 0.751 0.000) 7.931 18.872 ( -11.531 -5.577 -0.000) 12.809 20.237 ( 1.629 22.949 -0.000) 23.006 21.980 ( 4.670 -15.187 0.000) 15.889 22.313 ( 3.328 4.161 -0.000) 5.328 22.798 ( 0.705 0.391 0.000) 0.806 22.919 ( 0.000 -5.252 0.000) 5.252 23.901 ( 3.757 -0.345 0.000) 3.773 24.076 ( 7.086 1.172 0.000) 7.182 24.595 ( -5.271 7.737 -0.000) 9.362 24.823 ( -6.246 1.315 -0.000) 6.383 50.958 ( -1.700 -1.260 -0.000) 2.116 51.332 ( 1.661 1.221 0.000) 2.062 51.521 ( 6.525 -4.707 0.000) 8.046 51.586 ( -2.081 -2.676 0.000) 3.390 51.814 ( -8.310 -3.595 -0.000) 9.054 52.630 ( 3.540 10.545 -0.000) 11.123 53.547 ( -0.544 -0.812 0.000) 0.977 53.674 ( 0.284 -0.324 0.000) 0.431 ======================= Grid point 79 (62/105) ======================= q-point: ( 0.11 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -14.949 12.706 -0.000) 19.619 1.791 ( -23.859 -5.979 -0.000) 24.597 2.416 ( 2.053 3.568 -0.000) 4.116 2.674 ( -10.163 -20.989 0.000) 23.320 2.720 ( -30.229 -0.039 -0.000) 30.229 3.193 ( -2.258 3.938 -0.000) 4.539 4.012 ( 20.330 -3.781 0.000) 20.679 4.122 ( 4.509 -4.538 0.000) 6.397 4.398 ( 2.166 -0.514 0.000) 2.226 4.497 ( -1.446 9.508 -0.000) 9.617 4.990 ( -0.316 -2.748 0.000) 2.767 5.293 ( 6.910 4.776 0.000) 8.400 8.461 ( -5.356 10.887 -0.000) 12.134 9.845 ( -10.305 -26.616 0.000) 28.542 10.216 ( 13.376 11.314 0.000) 17.519 10.508 ( -20.635 -8.163 -0.000) 22.191 11.905 ( 7.712 -1.679 0.000) 7.892 12.323 ( 0.476 -1.129 0.000) 1.226 18.538 ( -10.593 -3.348 -0.000) 11.109 20.831 ( 0.088 31.534 -0.000) 31.534 21.696 ( 10.327 -26.920 0.000) 28.833 22.479 ( 4.430 3.657 0.000) 5.745 22.829 ( -0.058 1.565 -0.000) 1.566 22.867 ( 2.585 -2.561 0.000) 3.638 23.963 ( 2.515 -0.384 0.000) 2.544 24.125 ( 8.011 -11.117 0.000) 13.703 24.707 ( -4.595 -0.960 -0.000) 4.694 24.744 ( -6.961 17.267 -0.000) 18.617 50.936 ( -0.349 1.243 -0.000) 1.291 51.376 ( 1.821 -0.315 0.000) 1.848 51.469 ( -4.716 -1.366 -0.000) 4.910 51.588 ( -4.667 -4.452 -0.000) 6.450 51.601 ( 6.772 -1.670 0.000) 6.975 52.868 ( 2.207 6.346 -0.000) 6.719 53.518 ( -1.338 -0.194 -0.000) 1.352 53.677 ( 0.580 -0.233 0.000) 0.625 ======================= Grid point 82 (63/105) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -0.000 0.000 -25.131) 25.131 0.547 ( -0.000 0.000 -25.131) 25.131 0.871 ( -0.000 0.000 -42.286) 42.286 2.438 ( 0.000 -0.000 6.435) 6.435 2.438 ( 0.000 -0.000 6.435) 6.435 2.526 ( -0.000 0.000 -14.814) 14.814 3.837 ( -0.000 0.000 -4.146) 4.146 3.837 ( -0.000 0.000 -4.146) 4.146 4.452 ( 0.000 -0.000 2.863) 2.863 4.452 ( 0.000 -0.000 2.863) 2.863 5.092 ( 0.000 -0.000 7.864) 7.864 5.140 ( 0.000 -0.000 12.135) 12.135 9.033 ( -0.000 0.000 -9.267) 9.267 9.067 ( -0.000 0.000 -11.183) 11.183 9.067 ( -0.000 0.000 -11.183) 11.183 10.838 ( 0.000 -0.000 5.521) 5.521 11.978 ( 0.000 -0.000 12.216) 12.216 11.978 ( 0.000 -0.000 12.216) 12.216 20.942 ( -0.000 0.000 -3.450) 3.450 21.195 ( 0.000 -0.000 2.159) 2.159 21.195 ( 0.000 -0.000 2.159) 2.159 21.796 ( 0.000 -0.000 3.308) 3.308 22.873 ( -0.000 0.000 -3.334) 3.334 22.873 ( -0.000 0.000 -3.334) 3.334 23.010 ( -0.000 0.000 -1.778) 1.778 23.811 ( 0.000 -0.000 7.303) 7.303 24.700 ( -0.000 0.000 -9.569) 9.569 26.032 ( 0.000 -0.000 3.817) 3.817 51.254 ( 0.000 -0.000 2.255) 2.255 51.254 ( 0.000 -0.000 2.255) 2.255 51.477 ( -0.000 0.000 -2.446) 2.446 51.477 ( -0.000 0.000 -2.446) 2.446 51.865 ( -0.000 0.000 -3.241) 3.241 52.692 ( 0.000 -0.000 3.591) 3.591 53.455 ( -0.000 0.000 -1.571) 1.571 53.689 ( 0.000 -0.000 0.645) 0.645 ======================= Grid point 85 (64/105) ======================= q-point: (-0.12 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.252 2.102 -9.458) 14.106 1.959 ( 2.164 4.030 8.434) 9.595 2.474 ( 2.546 -12.957 1.030) 13.245 2.581 ( -5.361 -0.590 5.261) 7.534 2.726 ( 6.934 1.581 -9.773) 12.087 3.338 ( -15.254 -5.808 -1.035) 16.355 4.055 ( 2.867 9.105 -0.634) 9.567 4.193 ( -7.001 -1.930 2.327) 7.626 4.405 ( -0.287 0.730 0.629) 1.006 4.580 ( 8.559 5.465 -0.841) 10.189 5.007 ( 3.672 0.431 4.418) 5.761 5.153 ( 0.931 0.459 0.275) 1.074 8.154 ( 3.904 -2.790 -9.300) 10.465 9.461 ( -16.419 -15.298 7.465) 23.651 10.972 ( 15.446 11.526 -2.431) 19.425 10.974 ( 13.131 17.331 1.852) 21.822 12.013 ( -3.144 0.202 -3.400) 4.635 12.208 ( 0.093 -2.435 7.393) 7.784 18.920 ( 6.044 7.802 -8.193) 12.827 19.872 ( -4.999 -12.012 1.927) 13.152 22.234 ( -6.557 1.985 4.244) 8.059 22.383 ( -3.909 -2.922 -2.832) 5.642 22.801 ( 2.253 3.746 5.202) 6.795 23.053 ( -0.144 0.182 -7.281) 7.285 23.726 ( 8.008 -7.189 10.559) 15.077 23.954 ( -3.949 -1.622 -1.305) 4.464 24.594 ( 0.432 2.440 2.420) 3.463 24.891 ( -6.035 -0.209 -8.699) 10.590 51.028 ( -0.686 3.684 -1.422) 4.008 51.308 ( -0.516 -2.874 0.516) 2.965 51.543 ( 6.504 3.445 1.466) 7.505 51.671 ( 5.059 0.587 2.526) 5.685 51.764 ( -3.560 2.205 -3.442) 5.421 52.520 ( -6.254 -7.181 0.246) 9.525 53.571 ( 0.587 1.730 -0.242) 1.843 53.674 ( -0.039 -0.618 -0.088) 0.626 ======================= Grid point 86 (65/105) ======================= q-point: (-0.12 -0.12 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.991 4.686 -6.591) 8.148 1.808 ( -4.303 -13.357 2.356) 14.230 2.145 ( 0.123 1.460 6.781) 6.937 2.401 ( -8.085 -11.450 -0.111) 14.017 3.013 ( 10.170 3.662 -4.008) 11.529 3.124 ( -3.025 4.088 -0.933) 5.170 3.975 ( -4.110 -1.852 1.210) 4.668 4.020 ( -5.288 -3.708 -0.328) 6.467 4.655 ( 5.330 7.838 -1.224) 9.557 4.780 ( 1.426 0.735 0.049) 1.605 5.097 ( 3.530 0.764 2.102) 4.179 5.163 ( -1.039 -0.224 -0.331) 1.113 8.340 ( 10.194 6.042 -4.452) 12.658 8.814 ( -14.940 -12.844 1.691) 19.775 11.405 ( 6.350 8.189 1.498) 10.470 11.472 ( 6.880 4.951 9.368) 12.634 11.957 ( 0.498 -0.368 -8.750) 8.771 12.084 ( -4.754 -3.767 0.758) 6.112 19.232 ( 6.222 8.794 -1.839) 10.928 19.544 ( -5.241 -9.484 1.179) 10.900 22.191 ( -0.178 0.929 1.110) 1.458 22.256 ( -3.150 -1.789 -1.623) 3.969 22.922 ( 0.464 4.994 1.940) 5.378 23.021 ( 0.007 -3.404 -2.528) 4.240 23.752 ( 2.672 -0.272 3.267) 4.229 23.834 ( -1.846 -3.287 -0.654) 3.826 24.673 ( 1.936 2.307 1.476) 3.354 24.771 ( -3.904 -1.244 -2.805) 4.965 51.114 ( 0.847 3.997 -0.590) 4.128 51.220 ( -1.428 -3.459 0.066) 3.742 51.697 ( 1.000 1.956 2.124) 3.056 51.722 ( -0.408 0.172 0.193) 0.483 51.888 ( 8.809 4.837 -1.295) 10.133 52.210 ( -8.267 -7.329 -0.491) 11.059 53.617 ( 0.289 1.707 -0.021) 1.731 53.653 ( -0.136 -1.213 -0.044) 1.221 ======================= Grid point 91 (66/105) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -7.157 -8.432 -17.404) 20.621 1.652 ( 13.110 -21.447 -13.710) 28.632 2.341 ( -9.153 0.062 7.274) 11.691 2.488 ( 3.193 -20.509 0.023) 20.756 2.851 ( -1.134 -21.736 -21.185) 30.374 2.983 ( -0.322 -1.781 -12.004) 12.140 3.839 ( -0.880 5.014 4.766) 6.973 4.284 ( -0.660 -3.057 8.286) 8.856 4.340 ( 7.585 4.622 -0.744) 8.913 4.462 ( -7.100 -4.666 5.244) 9.984 4.776 ( 1.081 1.987 13.765) 13.949 4.921 ( 1.363 -6.125 16.433) 17.590 8.920 ( 4.444 3.608 -19.124) 19.962 9.519 ( -7.076 -4.333 -14.071) 16.335 10.049 ( 6.085 -5.810 -2.940) 8.912 10.560 ( -3.684 -5.001 0.256) 6.217 11.704 ( -0.326 -1.805 18.664) 18.754 11.840 ( 0.395 -7.617 18.101) 19.643 19.312 ( -0.734 21.219 -27.335) 34.612 21.116 ( 19.062 1.079 -0.400) 19.097 21.410 ( -21.749 7.002 11.440) 25.552 22.535 ( 1.198 -1.588 4.028) 4.492 22.882 ( -3.530 -2.258 2.186) 4.726 22.993 ( 8.173 2.469 3.329) 9.164 23.172 ( 0.297 -9.580 0.137) 9.585 23.848 ( -2.080 -6.945 6.627) 9.822 24.852 ( 0.418 3.484 -10.898) 11.449 25.516 ( -0.943 10.337 -3.834) 11.065 51.176 ( -1.666 4.125 -5.359) 6.966 51.265 ( 2.075 -0.540 0.933) 2.338 51.316 ( 1.117 -2.872 3.349) 4.551 51.490 ( 2.648 0.884 -1.309) 3.083 51.860 ( -5.220 5.366 -5.888) 9.524 52.810 ( 0.775 -3.553 7.046) 7.929 53.528 ( -0.061 -1.208 -1.707) 2.092 53.663 ( 0.360 0.316 1.120) 1.219 ======================= Grid point 92 (67/105) ======================= q-point: (-0.36 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 10.809 5.365 -20.873) 24.110 1.334 ( 1.745 -21.696 -18.683) 28.685 2.138 ( 10.006 -9.592 -5.364) 14.863 2.414 ( 12.457 -1.159 -4.442) 13.275 2.576 ( 8.101 -13.638 -3.986) 16.356 2.973 ( 2.235 -2.734 -19.374) 19.694 3.983 ( 0.391 -6.093 1.979) 6.418 4.126 ( 4.684 1.120 14.513) 15.292 4.312 ( -2.688 0.936 1.020) 3.023 4.492 ( 5.043 -2.937 -0.658) 5.873 4.803 ( -1.579 1.189 16.229) 16.349 4.840 ( 2.122 -3.532 17.687) 18.161 8.919 ( -10.223 7.103 -19.603) 23.222 9.571 ( 11.225 -3.971 -14.487) 18.753 9.897 ( 10.228 -16.382 -13.822) 23.750 10.540 ( -3.698 6.016 8.528) 11.072 11.694 ( 3.279 -3.253 21.264) 21.760 11.735 ( 4.327 -4.442 19.440) 20.405 19.711 ( -21.933 23.455 -31.355) 44.881 20.749 ( -15.908 9.801 3.718) 19.051 22.008 ( 20.603 2.070 4.691) 21.232 22.255 ( 4.116 -21.994 20.478) 30.332 22.786 ( -3.542 7.114 -1.674) 8.122 22.991 ( 0.350 -7.397 2.020) 7.676 23.179 ( 3.514 -2.571 -5.628) 7.116 23.743 ( 4.972 -3.142 7.546) 9.567 24.887 ( -2.752 2.469 -12.010) 12.567 25.646 ( -9.253 9.946 -2.238) 13.768 51.201 ( -1.608 1.755 -0.603) 2.456 51.271 ( 1.617 -1.712 2.697) 3.580 51.319 ( -2.288 2.474 -3.569) 4.908 51.483 ( -3.680 0.180 -1.717) 4.065 51.962 ( 1.939 2.571 -6.545) 7.294 52.723 ( 1.763 -2.789 8.566) 9.180 53.512 ( 0.587 -0.547 -1.920) 2.081 53.669 ( -0.013 -0.268 1.118) 1.150 ======================= Grid point 96 (68/105) ======================= q-point: ( 0.64 -0.14 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -11.446 -3.892 -6.714) 13.829 1.851 ( -2.454 -4.443 9.777) 11.016 2.035 ( 15.655 -4.838 0.152) 16.386 2.607 ( -1.751 -6.575 -0.056) 6.804 2.965 ( -2.415 3.921 4.768) 6.628 3.237 ( 5.520 -8.889 0.024) 10.463 3.999 ( 2.264 -2.912 -4.061) 5.486 4.134 ( 1.091 -5.843 -3.103) 6.706 4.564 ( -2.088 7.184 2.262) 7.816 4.644 ( -5.410 9.639 -0.769) 11.081 4.947 ( -0.443 6.029 -1.068) 6.139 5.162 ( -1.191 1.626 -0.624) 2.110 8.383 ( -0.867 0.090 9.197) 9.238 9.050 ( 6.343 -16.529 -6.189) 18.755 11.097 ( -3.702 18.270 0.397) 18.646 11.316 ( -4.861 5.702 4.198) 8.589 12.022 ( -2.113 0.899 -6.514) 6.907 12.048 ( 0.975 1.999 0.130) 2.228 19.168 ( -0.467 5.600 3.280) 6.507 19.707 ( 1.838 -11.938 1.451) 12.166 22.147 ( 1.538 0.389 -2.620) 3.063 22.359 ( 0.854 -3.630 -1.434) 3.995 22.766 ( -1.512 6.031 -2.096) 6.562 23.146 ( 2.271 -1.003 1.532) 2.917 23.579 ( -4.477 4.833 0.090) 6.589 23.947 ( 2.439 -4.819 1.696) 5.661 24.590 ( -0.367 1.749 -0.754) 1.939 24.953 ( 2.140 -7.387 0.204) 7.694 51.093 ( -0.540 0.885 -1.286) 1.652 51.251 ( 0.410 -1.266 0.226) 1.350 51.580 ( -4.613 5.115 -2.691) 7.395 51.651 ( 0.157 5.079 0.304) 5.091 51.868 ( 2.950 1.086 5.630) 6.448 52.398 ( 1.605 -10.208 -1.742) 10.479 53.595 ( -0.611 0.976 -0.640) 1.317 53.666 ( 0.337 -0.258 0.421) 0.597 ======================= Grid point 97 (69/105) ======================= q-point: ( 0.64 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -1.329 12.529 -4.795) 13.481 1.849 ( 6.896 -1.787 6.376) 9.560 2.110 ( 9.783 -13.958 -10.109) 19.817 2.613 ( 6.359 1.420 -1.541) 6.696 2.988 ( -2.813 2.244 -0.542) 3.639 3.166 ( 4.501 -2.381 5.362) 7.395 4.011 ( 3.294 -3.151 -0.745) 4.619 4.122 ( 4.581 0.154 1.372) 4.784 4.495 ( -11.092 5.352 3.139) 12.709 4.730 ( -4.132 1.206 1.192) 4.467 4.944 ( -5.810 0.209 -3.852) 6.974 5.164 ( -1.504 1.046 -1.036) 2.104 8.397 ( 0.911 0.037 3.263) 3.388 9.040 ( 15.913 -5.798 -4.443) 17.510 11.121 ( -17.634 1.535 3.158) 17.981 11.287 ( -6.689 7.327 1.333) 10.010 12.010 ( -2.298 1.954 -4.751) 5.627 12.060 ( -0.608 -0.843 -1.211) 1.596 19.163 ( -5.874 0.803 5.808) 8.300 19.718 ( 12.750 -2.567 -4.491) 13.759 22.115 ( -2.828 0.560 -0.273) 2.896 22.380 ( 5.002 -2.187 1.999) 5.814 22.758 ( -6.291 1.900 -1.788) 6.811 23.155 ( 1.427 -2.618 4.121) 5.086 23.635 ( -1.405 1.175 -5.757) 6.041 23.897 ( 1.913 0.341 -1.843) 2.679 24.592 ( -1.560 0.248 0.792) 1.767 24.951 ( 7.120 -1.974 3.858) 8.335 51.081 ( -1.689 1.199 2.626) 3.344 51.270 ( 2.684 -1.526 -1.095) 3.276 51.596 ( -2.693 3.295 -1.844) 4.638 51.712 ( -3.726 -4.212 2.337) 6.090 51.769 ( -6.082 3.821 -1.631) 7.365 52.412 ( 10.730 -2.484 -0.696) 11.036 53.594 ( -1.004 0.633 0.725) 1.390 53.668 ( 0.384 -0.433 -0.273) 0.640 ======================= Grid point 100 (70/105) ======================= q-point: (-0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.406 -2.618 -20.389) 20.561 2.189 ( -5.683 -3.924 2.628) 7.390 2.644 ( -0.951 -1.585 -2.264) 2.923 2.719 ( -1.900 8.435 -3.293) 9.252 2.970 ( -2.339 -7.364 7.327) 10.648 3.447 ( -1.520 1.735 13.768) 13.960 4.031 ( 4.924 0.492 -7.210) 8.745 4.167 ( -0.986 -1.851 -2.293) 3.108 4.243 ( 2.234 -3.312 0.579) 4.037 4.390 ( 0.812 4.941 3.502) 6.110 4.691 ( 1.168 -8.869 -1.327) 9.044 4.979 ( 0.271 -6.881 3.919) 7.924 8.962 ( -6.633 11.367 1.753) 13.277 9.727 ( 1.481 -1.482 -13.565) 13.726 10.046 ( 3.417 2.806 -3.478) 5.625 10.999 ( -1.974 0.815 3.779) 4.341 11.539 ( 0.552 -8.796 9.717) 13.119 11.993 ( -0.220 -11.077 1.844) 11.232 19.042 ( 0.727 11.712 -3.606) 12.276 20.972 ( -27.686 1.918 6.231) 28.443 21.244 ( 27.126 -4.663 -5.719) 28.111 22.505 ( 1.136 1.153 -1.609) 2.282 22.741 ( -3.457 0.795 5.247) 6.334 22.933 ( 5.947 0.898 -1.091) 6.112 23.567 ( -1.823 -5.180 -6.807) 8.746 23.930 ( -3.033 -3.785 6.707) 8.277 24.834 ( -1.301 5.898 -6.144) 8.616 25.237 ( 3.377 2.931 4.030) 6.020 51.164 ( 5.673 4.103 0.649) 7.031 51.243 ( -1.777 -0.896 -1.451) 2.463 51.373 ( 3.243 -4.042 -0.237) 5.187 51.530 ( -0.224 -1.382 0.531) 1.498 51.674 ( -8.150 6.037 -0.964) 10.188 52.838 ( 0.415 -2.393 1.216) 2.716 53.585 ( 1.064 0.413 -0.372) 1.200 53.632 ( -0.299 -0.495 0.431) 0.721 ======================= Grid point 101 (71/105) ======================= q-point: (-0.60 -0.15 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -7.133 -10.949 -7.606) 15.120 2.021 ( 0.196 -1.285 -0.101) 1.304 2.514 ( -0.212 -12.495 -8.726) 15.242 2.702 ( -5.517 -3.385 8.198) 10.445 2.977 ( -0.370 11.700 -5.253) 12.830 3.486 ( -3.627 2.144 10.013) 10.864 3.760 ( 6.094 -11.872 -10.383) 16.909 4.211 ( 1.263 -1.029 -0.864) 1.844 4.224 ( -0.620 -3.116 1.379) 3.463 4.574 ( 4.028 -0.769 -0.833) 4.185 4.651 ( 5.643 -2.534 5.117) 8.028 4.824 ( 1.788 -8.687 10.135) 13.468 8.978 ( -12.743 12.725 -7.293) 19.429 9.652 ( -8.208 1.773 -3.201) 8.987 10.373 ( 19.974 1.058 -11.443) 23.044 10.901 ( 2.894 -10.500 -5.312) 12.118 11.439 ( 5.913 -7.620 17.871) 20.308 11.745 ( 1.801 -12.770 11.035) 16.973 19.357 ( 2.001 15.066 -12.078) 19.413 20.443 ( -26.267 2.776 6.806) 27.276 21.719 ( 21.748 0.213 -1.648) 21.811 22.511 ( -0.596 -0.251 -0.915) 1.120 22.661 ( -6.259 0.385 5.024) 8.035 23.180 ( 10.120 4.373 -2.771) 11.367 23.382 ( -0.933 -10.445 -0.776) 10.515 23.785 ( -2.038 -3.571 6.216) 7.452 24.899 ( -5.299 6.997 -7.392) 11.475 25.319 ( -2.587 4.269 1.025) 5.096 51.176 ( -2.406 0.460 -4.029) 4.715 51.338 ( 3.031 -1.971 1.122) 3.786 51.383 ( 4.074 -3.814 1.710) 5.836 51.515 ( -2.948 -0.039 -0.309) 2.964 51.701 ( 2.128 10.827 -1.672) 11.160 52.735 ( -4.702 -2.823 2.946) 6.225 53.576 ( -0.240 -1.140 -0.931) 1.491 53.657 ( 1.287 0.509 0.553) 1.491 ======================= Grid point 102 (72/105) ======================= q-point: (-0.60 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 7.402 10.280 -8.775) 15.410 2.114 ( 5.199 -15.056 -7.606) 17.651 2.175 ( 2.829 2.805 -2.246) 4.574 2.488 ( -5.106 -5.738 9.795) 12.447 3.201 ( -1.107 7.793 -13.794) 15.882 3.555 ( 5.089 5.117 -0.740) 7.254 3.828 ( 11.926 -5.423 -5.495) 14.207 4.110 ( -0.017 -8.011 2.708) 8.456 4.139 ( -3.890 0.473 7.179) 8.179 4.562 ( 0.501 -6.831 10.506) 12.541 4.626 ( 4.043 -3.673 -1.079) 5.568 4.783 ( 5.755 -5.728 8.039) 11.426 8.990 ( -8.404 9.290 -18.826) 22.613 9.578 ( -10.774 12.388 8.380) 18.433 10.615 ( 6.166 -17.465 -14.278) 23.386 10.845 ( 18.064 -5.897 -13.991) 23.597 11.431 ( 6.769 -6.250 21.871) 23.732 11.598 ( 7.240 -8.421 17.797) 20.978 19.624 ( -10.235 8.236 -18.263) 22.497 20.130 ( -8.702 13.172 5.964) 16.876 22.138 ( 7.645 7.564 2.343) 11.007 22.288 ( -5.383 -14.728 7.977) 17.593 22.653 ( 1.469 3.758 -2.044) 4.523 23.103 ( -1.841 -10.841 5.221) 12.173 23.414 ( 4.290 0.667 -8.994) 9.987 23.770 ( 6.291 -1.064 7.542) 9.879 24.913 ( -6.886 6.854 -8.619) 12.987 25.321 ( -6.608 5.302 1.632) 8.628 51.147 ( -2.681 2.085 -2.375) 4.144 51.274 ( -0.273 -3.609 1.848) 4.064 51.397 ( -3.332 -2.386 -0.505) 4.129 51.429 ( 3.977 -1.160 0.846) 4.229 52.081 ( 5.864 8.663 -7.643) 12.956 52.557 ( -4.818 -1.182 7.160) 8.710 53.555 ( 0.113 -0.477 -0.573) 0.754 53.669 ( 0.179 -0.923 0.409) 1.025 ======================= Grid point 103 (73/105) ======================= q-point: (-0.60 -0.15 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.033 -5.376 -16.927) 17.790 2.097 ( 16.791 12.094 -13.729) 24.833 2.292 ( -0.890 -5.954 8.173) 10.151 2.589 ( 16.886 7.144 6.954) 19.610 3.118 ( -11.962 -1.930 -8.091) 14.570 3.814 ( -6.503 -13.850 5.573) 16.284 3.827 ( 6.842 6.245 -5.206) 10.626 4.007 ( 13.217 -3.313 -3.156) 13.987 4.179 ( -2.923 8.896 6.546) 11.426 4.485 ( -1.008 -0.964 4.058) 4.291 4.569 ( 4.668 -8.080 3.342) 9.912 4.836 ( 7.161 -1.393 7.611) 10.543 9.037 ( -7.447 11.043 -14.777) 19.893 9.692 ( -4.745 10.824 4.416) 12.616 10.248 ( 0.722 -19.898 -15.140) 25.013 11.012 ( 9.079 -6.514 -4.984) 12.235 11.442 ( 6.630 -5.743 18.696) 20.651 11.733 ( 13.510 -1.412 10.822) 17.368 19.335 ( -15.506 -0.937 -9.695) 18.311 20.578 ( 2.217 26.679 -3.670) 27.021 21.663 ( -6.304 -26.473 8.641) 28.552 22.437 ( 0.430 8.097 1.623) 8.270 22.749 ( -0.633 3.369 -2.905) 4.493 22.917 ( 0.148 -4.534 6.171) 7.659 23.475 ( 6.467 -2.900 -7.961) 10.659 23.895 ( 5.783 -1.852 6.690) 9.035 24.909 ( -5.950 5.319 -9.528) 12.429 25.270 ( -7.146 4.064 4.951) 9.596 51.148 ( -3.731 3.945 0.709) 5.476 51.251 ( 2.309 0.430 -0.026) 2.349 51.293 ( -0.880 -2.895 -1.231) 3.267 51.489 ( 3.360 -0.838 0.980) 3.599 52.015 ( -7.755 -7.487 -6.112) 12.391 52.681 ( 4.379 7.088 4.746) 9.589 53.564 ( 0.275 0.765 -0.326) 0.876 53.643 ( 0.066 -1.260 0.571) 1.385 ======================= Grid point 109 (74/105) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -1.662 25.611 -0.000) 25.665 1.757 ( -17.399 23.540 -0.000) 29.272 2.223 ( -2.221 6.144 -0.000) 6.534 2.523 ( 4.610 -5.756 0.000) 7.374 2.955 ( 13.242 25.715 -0.000) 28.925 3.161 ( -5.409 9.719 -0.000) 11.123 3.886 ( -5.043 -3.221 -0.000) 5.984 4.091 ( 1.547 -8.258 0.000) 8.402 4.390 ( -0.079 -2.399 0.000) 2.401 4.713 ( 8.266 -9.218 0.000) 12.381 4.942 ( -1.613 -0.684 -0.000) 1.752 5.331 ( -2.057 -7.122 0.000) 7.413 8.479 ( -11.479 4.587 -0.000) 12.362 9.586 ( 6.257 10.999 -0.000) 12.654 10.346 ( 0.388 -12.170 0.000) 12.176 10.418 ( 0.141 19.629 -0.000) 19.629 11.901 ( 1.669 -7.982 0.000) 8.155 12.294 ( -1.429 -0.313 -0.000) 1.463 18.509 ( 0.621 11.217 -0.000) 11.234 21.005 ( -29.895 -4.572 -0.000) 30.243 21.612 ( 34.419 -6.979 0.000) 35.120 22.536 ( 1.275 -3.509 0.000) 3.734 22.797 ( -4.468 -4.607 0.000) 6.417 22.871 ( 2.144 1.496 0.000) 2.614 23.883 ( -10.457 -3.802 -0.000) 11.127 23.958 ( 0.041 -2.643 0.000) 2.644 24.670 ( -2.318 3.563 -0.000) 4.251 25.048 ( 9.535 4.365 0.000) 10.487 50.990 ( 3.557 1.730 0.000) 3.955 51.349 ( -1.643 -2.536 0.000) 3.021 51.411 ( -4.305 4.263 -0.000) 6.058 51.530 ( -0.260 2.829 -0.000) 2.841 51.613 ( 2.532 -5.617 0.000) 6.161 52.935 ( -0.444 -2.326 0.000) 2.368 53.522 ( 0.578 1.858 -0.000) 1.945 53.673 ( -0.163 -0.834 0.000) 0.850 ======================= Grid point 110 (75/105) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -21.768 24.394 -0.000) 32.694 2.213 ( 0.783 10.465 -0.000) 10.494 2.271 ( -4.479 -5.989 0.000) 7.478 2.318 ( 7.902 -2.964 0.000) 8.440 3.063 ( -10.688 -2.642 -0.000) 11.010 3.435 ( 5.246 -1.246 0.000) 5.392 4.124 ( 7.438 14.951 -0.000) 16.699 4.145 ( 9.585 1.026 0.000) 9.640 4.367 ( 1.754 -0.858 0.000) 1.953 4.454 ( -4.709 -12.855 0.000) 13.690 4.870 ( 0.083 -4.463 0.000) 4.464 5.134 ( -1.210 -6.998 0.000) 7.102 8.315 ( -15.286 11.406 -0.000) 19.072 9.981 ( -12.116 -10.420 -0.000) 15.980 10.200 ( 23.974 11.029 0.000) 26.389 10.825 ( 6.872 11.021 -0.000) 12.988 11.771 ( 5.427 -11.368 0.000) 12.597 12.198 ( -0.689 -6.852 0.000) 6.886 18.825 ( 3.931 13.558 -0.000) 14.116 20.346 ( -24.285 -1.790 -0.000) 24.351 22.074 ( 25.116 -12.390 0.000) 28.006 22.500 ( -2.166 0.372 -0.000) 2.198 22.599 ( -4.694 -1.695 -0.000) 4.991 22.997 ( 3.765 4.797 -0.000) 6.098 23.707 ( -4.102 0.387 -0.000) 4.120 23.854 ( -0.584 -7.127 0.000) 7.151 24.690 ( -3.544 4.404 -0.000) 5.653 25.196 ( -1.057 2.759 -0.000) 2.955 51.185 ( 5.438 7.268 -0.000) 9.078 51.273 ( -0.748 -2.301 0.000) 2.420 51.387 ( -4.245 2.573 -0.000) 4.964 51.569 ( 1.558 -0.537 0.000) 1.648 51.573 ( 4.411 -5.402 0.000) 6.974 52.809 ( -6.584 -1.944 -0.000) 6.865 53.585 ( 1.172 2.159 -0.000) 2.457 53.647 ( -0.065 -1.349 0.000) 1.350 ======================= Grid point 111 (76/105) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -9.887 -20.550 0.000) 22.805 1.910 ( -10.921 17.813 -0.000) 20.894 2.375 ( 0.570 -3.190 0.000) 3.240 2.702 ( 1.106 1.507 -0.000) 1.870 2.811 ( -4.754 12.360 -0.000) 13.242 3.296 ( -4.285 -6.684 0.000) 7.940 4.072 ( -0.926 -7.842 0.000) 7.897 4.231 ( -2.536 -0.739 -0.000) 2.641 4.526 ( 11.601 -0.403 0.000) 11.608 4.597 ( 4.067 6.470 -0.000) 7.642 4.768 ( 1.816 -6.789 0.000) 7.028 4.997 ( 4.348 -7.829 0.000) 8.956 8.400 ( -6.446 18.624 -0.000) 19.708 9.444 ( -19.654 -6.902 -0.000) 20.830 10.917 ( 23.594 7.022 0.000) 24.617 11.160 ( 11.937 2.502 0.000) 12.196 11.635 ( 5.094 -13.095 0.000) 14.051 11.977 ( 0.137 -13.048 0.000) 13.049 19.226 ( 5.211 14.991 -0.000) 15.870 19.883 ( -17.843 -1.053 -0.000) 17.874 22.134 ( 5.344 -7.731 0.000) 9.399 22.432 ( -5.338 0.149 -0.000) 5.340 22.623 ( 6.569 -0.747 0.000) 6.611 23.209 ( 1.923 7.177 -0.000) 7.430 23.651 ( 0.572 -9.777 0.000) 9.793 23.685 ( 0.367 0.716 -0.000) 0.805 24.705 ( -4.291 4.643 -0.000) 6.322 25.169 ( -6.274 2.891 -0.000) 6.908 51.203 ( -1.530 -2.401 0.000) 2.847 51.300 ( -6.117 3.724 -0.000) 7.161 51.477 ( 5.399 -1.806 0.000) 5.693 51.571 ( 5.215 -4.508 0.000) 6.893 51.664 ( 7.806 7.325 0.000) 10.705 52.595 ( -10.044 -1.496 -0.000) 10.155 53.614 ( 0.029 -1.684 0.000) 1.684 53.650 ( 0.674 1.720 -0.000) 1.848 ======================= Grid point 112 (77/105) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 4.690 6.239 -0.000) 7.805 2.112 ( -3.490 13.656 -0.000) 14.095 2.242 ( -1.822 0.571 -0.000) 1.910 2.505 ( 0.042 -6.773 0.000) 6.773 3.204 ( -1.245 -0.772 -0.000) 1.464 3.236 ( 0.187 18.630 -0.000) 18.631 3.899 ( -3.091 -3.996 0.000) 5.052 4.105 ( -6.547 -0.746 -0.000) 6.590 4.588 ( 4.158 -13.198 0.000) 13.838 4.668 ( 5.098 -5.332 0.000) 7.377 4.757 ( 7.139 -0.507 0.000) 7.157 4.979 ( 6.368 -7.359 0.000) 9.732 8.800 ( 2.078 22.394 -0.000) 22.490 8.941 ( -19.482 0.085 -0.000) 19.482 11.335 ( 12.734 -2.220 0.000) 12.926 11.363 ( -1.440 -17.570 0.000) 17.629 11.572 ( 20.619 2.798 0.000) 20.808 11.687 ( 0.733 -15.005 0.000) 15.023 19.506 ( -14.765 -2.646 -0.000) 15.000 19.674 ( 4.821 17.555 -0.000) 18.205 22.133 ( 2.200 1.126 0.000) 2.472 22.260 ( -5.832 -5.690 -0.000) 8.147 22.729 ( 3.888 -0.257 0.000) 3.896 23.166 ( -4.683 -6.924 0.000) 8.359 23.687 ( 7.896 3.623 0.000) 8.687 23.735 ( 3.947 -0.772 0.000) 4.022 24.700 ( -5.604 5.057 -0.000) 7.549 25.079 ( -7.833 3.069 -0.000) 8.413 51.106 ( -2.845 -2.126 -0.000) 3.551 51.262 ( -1.543 1.164 -0.000) 1.933 51.454 ( 2.733 -5.409 0.000) 6.060 51.590 ( 4.397 -3.729 0.000) 5.765 52.107 ( 9.185 13.341 -0.000) 16.197 52.327 ( -11.515 -2.272 -0.000) 11.737 53.580 ( -0.017 -1.474 0.000) 1.474 53.677 ( -0.054 0.259 -0.000) 0.264 ======================= Grid point 114 (78/105) ======================= q-point: ( 0.17 -0.17 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.025 13.784 -0.000) 13.784 2.167 ( -1.957 4.359 -0.000) 4.778 2.604 ( 10.750 14.692 -0.000) 18.205 2.604 ( 17.309 0.864 0.000) 17.330 2.944 ( -15.061 -7.727 -0.000) 16.927 3.492 ( -13.945 18.589 -0.000) 23.238 3.911 ( -4.298 -12.498 0.000) 13.216 3.911 ( 5.523 1.917 0.000) 5.847 4.362 ( 0.580 -5.242 0.000) 5.274 4.607 ( 0.099 -7.520 0.000) 7.521 4.914 ( 9.603 -1.459 0.000) 9.713 4.940 ( 7.044 -7.947 0.000) 10.619 8.667 ( -15.237 8.800 -0.000) 17.596 9.376 ( 8.033 20.717 -0.000) 22.220 10.827 ( -6.980 -24.488 0.000) 25.464 11.337 ( -5.588 -13.984 0.000) 15.059 11.525 ( 12.509 -4.068 0.000) 13.154 11.997 ( 15.282 0.715 0.000) 15.299 19.137 ( -13.740 -3.684 -0.000) 14.226 20.181 ( 3.596 22.443 -0.000) 22.729 21.948 ( -1.534 -16.056 0.000) 16.129 22.260 ( 1.847 5.821 -0.000) 6.107 22.786 ( 0.678 1.495 -0.000) 1.642 22.932 ( -1.326 -7.384 0.000) 7.503 23.804 ( 5.298 -1.933 0.000) 5.640 23.923 ( 7.103 1.128 0.000) 7.191 24.717 ( -6.122 9.473 -0.000) 11.279 24.970 ( -7.591 1.743 -0.000) 7.788 51.011 ( -3.228 -0.392 -0.000) 3.251 51.293 ( 1.925 0.862 0.000) 2.109 51.409 ( 3.885 -4.693 0.000) 6.092 51.587 ( 1.788 -2.882 0.000) 3.392 52.017 ( -10.627 -4.622 -0.000) 11.589 52.536 ( 5.532 11.625 -0.000) 12.875 53.556 ( -0.247 -0.529 0.000) 0.584 53.669 ( 0.168 -0.755 0.000) 0.773 ======================= Grid point 115 (79/105) ======================= q-point: ( 0.17 -0.17 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -5.101 10.544 -0.000) 11.713 2.221 ( -10.180 3.995 -0.000) 10.936 2.415 ( -8.536 -7.404 -0.000) 11.299 2.839 ( -2.243 -11.784 0.000) 11.996 3.115 ( 9.276 9.586 -0.000) 13.340 3.294 ( -20.220 -6.116 -0.000) 21.125 3.682 ( 4.835 9.554 -0.000) 10.708 4.043 ( 3.295 -2.393 0.000) 4.073 4.397 ( -2.050 -5.026 0.000) 5.428 4.460 ( 5.076 3.411 0.000) 6.116 4.949 ( 4.575 -4.016 0.000) 6.088 5.119 ( 9.477 1.977 0.000) 9.681 8.629 ( -10.336 10.512 -0.000) 14.742 9.952 ( 11.212 13.039 -0.000) 17.197 10.078 ( -11.382 -24.888 0.000) 27.367 10.877 ( -13.783 -9.125 -0.000) 16.530 11.705 ( 11.152 -2.357 0.000) 11.399 12.238 ( 7.814 -0.981 0.000) 7.875 18.786 ( -12.916 -2.408 -0.000) 13.138 20.796 ( 3.173 29.575 -0.000) 29.744 21.533 ( 4.758 -26.279 0.000) 26.707 22.417 ( 1.501 5.133 -0.000) 5.348 22.816 ( 2.034 -4.619 0.000) 5.047 22.834 ( -0.360 2.726 -0.000) 2.750 23.882 ( 5.081 -1.077 0.000) 5.194 23.986 ( 5.239 -7.177 0.000) 8.886 24.824 ( -6.492 -1.272 -0.000) 6.615 24.865 ( -4.754 14.483 -0.000) 15.244 50.968 ( -2.616 2.273 -0.000) 3.465 51.334 ( 2.092 -1.273 0.000) 2.449 51.461 ( 6.194 -0.468 0.000) 6.212 51.544 ( -1.720 -1.332 -0.000) 2.175 51.705 ( -6.991 -6.473 -0.000) 9.528 52.816 ( 2.883 6.482 -0.000) 7.094 53.543 ( -0.999 0.357 -0.000) 1.061 53.663 ( 0.736 -0.620 0.000) 0.963 ======================= Grid point 128 (80/105) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -7.944 -0.213 -23.639) 24.939 1.223 ( 9.069 -17.669 -16.233) 25.650 2.006 ( 0.621 -21.400 -24.312) 32.395 2.324 ( -5.511 -1.719 6.255) 8.512 2.472 ( 2.775 -13.913 -1.933) 14.318 2.950 ( 0.208 -1.433 -20.893) 20.943 3.901 ( 2.567 0.672 1.170) 2.900 4.108 ( -2.509 -13.887 9.787) 17.173 4.383 ( 0.964 0.842 0.535) 1.387 4.404 ( -0.978 -0.587 1.147) 1.617 4.809 ( 0.333 -3.421 21.012) 21.291 4.825 ( 0.155 2.305 14.669) 14.850 9.060 ( 1.987 9.847 -19.102) 21.582 9.434 ( -3.690 -3.229 -18.554) 19.191 9.746 ( 2.101 -19.006 -14.632) 24.078 10.603 ( -0.515 5.121 9.827) 11.093 11.652 ( 0.136 -2.642 21.484) 21.646 11.688 ( -0.100 -5.999 20.946) 21.788 19.994 ( -0.864 44.258 -26.599) 51.643 21.135 ( 8.998 0.630 1.919) 9.222 21.529 ( -11.628 2.907 10.093) 15.670 22.205 ( 3.509 -32.815 15.254) 36.357 22.869 ( -4.294 3.657 -0.455) 5.658 22.968 ( 7.053 -1.402 -3.086) 7.825 23.109 ( -2.106 -0.820 -5.206) 5.676 23.702 ( -0.514 -5.871 7.902) 9.858 24.915 ( 0.082 2.279 -12.490) 12.696 25.765 ( -0.211 11.871 1.207) 11.934 51.213 ( 0.589 -0.422 1.659) 1.811 51.241 ( -0.591 -2.980 2.604) 4.001 51.375 ( -0.632 9.848 -5.256) 11.181 51.517 ( 2.057 1.161 -2.149) 3.193 51.947 ( -1.896 2.394 -6.389) 7.082 52.695 ( 0.400 -7.103 8.622) 11.179 53.506 ( -0.013 -0.785 -2.162) 2.300 53.667 ( 0.093 0.151 1.229) 1.242 ======================= Grid point 133 (81/105) ======================= q-point: ( 0.69 -0.19 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 2.594 -2.269 -5.936) 6.864 1.747 ( 2.688 -3.651 5.851) 7.402 2.030 ( -3.087 3.984 -2.178) 5.491 2.405 ( 10.103 -10.099 0.435) 14.292 3.066 ( -3.934 4.628 0.342) 6.084 3.156 ( -0.061 -1.161 1.929) 2.253 3.951 ( 1.546 -1.221 -1.081) 2.247 4.016 ( 3.747 -3.949 -0.641) 5.481 4.689 ( -5.871 4.369 1.924) 7.567 4.775 ( -0.315 1.991 -0.497) 2.076 5.055 ( -3.889 3.783 -1.504) 5.630 5.169 ( 0.813 -0.777 0.177) 1.138 8.443 ( -4.104 4.359 4.656) 7.584 8.751 ( 10.055 -10.272 -4.345) 15.017 11.363 ( -5.007 5.994 -0.366) 7.819 11.409 ( -4.069 3.031 2.318) 5.578 12.032 ( -1.028 1.003 -3.128) 3.442 12.071 ( 0.441 -0.404 0.576) 0.830 19.282 ( -4.658 4.520 2.811) 7.073 19.513 ( 6.396 -6.206 -1.742) 9.081 22.168 ( -2.148 1.616 -0.875) 2.827 22.283 ( 3.500 -3.064 0.480) 4.676 22.879 ( -4.658 4.432 -1.729) 6.658 23.075 ( 4.507 -4.260 2.089) 6.544 23.693 ( -3.492 4.602 -1.501) 5.969 23.848 ( 2.742 -3.817 0.481) 4.725 24.649 ( -3.044 3.041 -0.855) 4.387 24.818 ( 4.732 -4.732 1.504) 6.859 51.127 ( -2.108 1.833 0.521) 2.841 51.215 ( 2.197 -1.863 -0.478) 2.920 51.657 ( -2.730 2.635 -1.349) 4.027 51.725 ( 0.845 0.180 0.471) 0.984 51.921 ( -6.040 4.519 1.933) 7.787 52.207 ( 7.489 -6.965 -1.081) 10.285 53.617 ( -0.969 0.956 -0.009) 1.361 53.654 ( 0.743 -0.719 0.055) 1.035 ======================= Grid point 137 (82/105) ======================= q-point: (-0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -6.899 -6.916 -18.877) 21.255 2.117 ( -8.195 -5.807 6.567) 12.000 2.386 ( 11.200 -11.955 -11.943) 20.273 2.714 ( 3.819 -14.236 7.538) 16.555 3.050 ( -4.377 13.970 -5.352) 15.588 3.574 ( -7.072 7.712 10.537) 14.850 3.772 ( -5.711 -19.131 -15.379) 25.202 4.109 ( 7.424 -0.755 3.917) 8.428 4.295 ( -2.530 2.316 -1.073) 3.594 4.487 ( 5.626 -5.801 9.165) 12.219 4.508 ( 2.334 -0.178 2.294) 3.277 4.822 ( -0.434 -8.104 8.448) 11.715 9.184 ( -1.766 8.846 -9.957) 13.436 9.738 ( -3.458 3.578 -7.096) 8.667 10.085 ( 5.933 0.511 -9.292) 11.037 10.906 ( -3.057 -9.304 -3.400) 10.367 11.372 ( -0.209 -6.899 18.739) 19.970 11.721 ( 0.352 -14.002 10.917) 17.759 19.330 ( 0.508 16.126 -10.749) 19.386 21.049 ( -29.627 4.854 8.015) 31.073 21.173 ( 27.919 -1.681 -3.353) 28.170 22.528 ( 0.361 0.492 -1.732) 1.837 22.774 ( -3.659 1.311 7.294) 8.265 22.952 ( 9.582 1.196 -2.000) 9.861 23.415 ( -2.372 -8.558 -4.857) 10.122 23.843 ( -2.913 -4.727 6.303) 8.400 24.965 ( -0.392 6.236 -9.423) 11.306 25.331 ( 1.396 6.096 4.230) 7.550 51.223 ( -0.745 1.927 -3.738) 4.271 51.257 ( 2.847 0.818 0.859) 3.084 51.298 ( 3.845 -2.525 1.534) 4.849 51.494 ( 1.520 -1.156 0.613) 2.006 51.824 ( -9.658 7.773 -3.353) 12.843 52.773 ( 1.318 -3.915 3.463) 5.391 53.580 ( 0.239 -0.722 -1.247) 1.461 53.631 ( 0.599 0.241 1.187) 1.351 ======================= Grid point 138 (83/105) ======================= q-point: (-0.54 -0.21 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -1.842 -0.152 -12.918) 13.049 1.914 ( 7.259 -10.552 -0.164) 12.809 2.257 ( -3.461 -8.361 -6.487) 11.134 2.534 ( 1.791 -10.796 6.471) 12.713 3.189 ( 0.956 3.356 -19.190) 19.504 3.408 ( 5.330 -7.019 -11.936) 14.837 3.701 ( 1.573 5.792 4.177) 7.313 4.108 ( -0.928 -7.322 3.500) 8.168 4.202 ( -1.123 1.167 11.735) 11.847 4.528 ( 1.519 -5.398 4.640) 7.278 4.573 ( 2.936 -4.179 2.462) 5.670 4.647 ( 6.025 -6.672 12.404) 15.319 9.195 ( -10.524 8.284 -18.421) 22.775 9.760 ( -5.090 7.340 -1.772) 9.106 10.379 ( 16.412 0.082 -9.059) 18.747 10.600 ( 2.181 -17.136 -13.747) 22.076 11.298 ( 5.238 -5.791 24.097) 25.331 11.480 ( 4.003 -11.811 19.608) 23.237 19.741 ( -1.829 21.492 -17.725) 27.918 20.509 ( -25.932 3.655 6.828) 27.064 21.786 ( 24.149 5.597 1.662) 24.845 22.409 ( -4.424 -12.726 5.637) 14.604 22.679 ( -3.747 3.187 1.546) 5.156 23.148 ( -2.437 -9.518 0.780) 9.856 23.274 ( 9.451 3.497 -5.269) 11.372 23.696 ( 0.400 -5.036 5.784) 7.680 25.040 ( -4.595 6.032 -10.474) 12.930 25.440 ( -4.350 6.942 3.483) 8.902 51.202 ( -2.267 1.220 -2.598) 3.657 51.276 ( 0.150 -3.363 2.172) 4.007 51.325 ( 3.680 -0.392 -0.030) 3.701 51.518 ( -4.572 0.041 -1.171) 4.720 51.941 ( 4.706 11.005 -4.605) 12.824 52.652 ( -3.107 -5.128 5.609) 8.211 53.557 ( -0.288 -0.591 -1.150) 1.324 53.657 ( 0.972 -0.487 0.807) 1.354 ======================= Grid point 139 (84/105) ======================= q-point: (-0.54 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 12.168 8.299 -16.338) 21.997 1.785 ( 7.746 -10.870 -15.353) 20.344 2.249 ( 10.196 1.682 7.830) 12.965 2.346 ( 0.290 -4.181 7.167) 8.302 3.308 ( -5.307 2.164 -18.046) 18.935 3.465 ( 20.833 -9.364 -18.734) 29.540 3.898 ( -0.423 -0.276 6.715) 6.734 3.915 ( -0.275 -0.450 5.965) 5.988 4.222 ( -2.411 6.005 6.526) 9.190 4.441 ( 4.460 -4.973 14.647) 16.098 4.503 ( 2.082 -5.648 7.138) 9.338 4.701 ( 5.929 -2.826 4.305) 7.853 9.187 ( -7.338 9.555 -21.429) 24.583 9.839 ( -7.382 11.263 6.577) 14.987 10.206 ( 1.943 -19.194 -19.026) 27.096 10.733 ( 16.401 -4.945 -10.127) 19.900 11.307 ( 6.052 -5.163 23.768) 25.064 11.465 ( 11.310 -3.932 20.152) 23.441 19.728 ( -21.917 2.295 -15.067) 26.695 20.558 ( -0.579 26.293 -0.214) 26.301 21.813 ( -7.348 -28.120 9.217) 30.491 22.339 ( 11.261 8.574 3.466) 14.572 22.768 ( -1.180 7.786 -1.779) 8.073 22.916 ( -1.231 -7.098 3.962) 8.221 23.374 ( 2.861 -4.291 -7.702) 9.269 23.746 ( 8.116 -1.174 6.956) 10.753 25.037 ( -5.916 4.499 -11.010) 13.284 25.433 ( -7.938 4.621 4.711) 10.323 51.203 ( 0.111 1.570 -0.690) 1.719 51.230 ( -1.337 0.692 1.332) 2.010 51.338 ( -2.591 -2.456 -2.489) 4.352 51.436 ( 0.196 1.512 0.978) 1.812 52.137 ( -2.865 -3.946 -8.968) 10.207 52.586 ( 3.928 4.054 8.922) 10.558 53.556 ( 0.347 0.501 -1.143) 1.295 53.643 ( -0.064 -1.202 1.053) 1.599 ======================= Grid point 146 (85/105) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 8.037 5.307 0.000) 9.631 2.224 ( -2.326 23.772 -0.000) 23.885 2.343 ( -1.236 -10.771 0.000) 10.842 2.379 ( -25.649 13.806 -0.000) 29.128 3.203 ( -1.545 -7.003 0.000) 7.171 3.304 ( 5.457 2.847 0.000) 6.155 3.924 ( 11.029 10.735 0.000) 15.390 4.017 ( 1.670 2.165 -0.000) 2.734 4.345 ( -0.186 -1.771 0.000) 1.781 4.508 ( 0.284 -10.835 0.000) 10.839 4.888 ( -1.776 -4.813 0.000) 5.130 5.148 ( 0.366 -9.988 0.000) 9.995 8.649 ( -11.339 11.177 -0.000) 15.921 9.835 ( 5.873 12.128 -0.000) 13.475 10.107 ( 0.827 -10.179 0.000) 10.212 10.763 ( -1.314 12.543 -0.000) 12.611 11.691 ( 1.498 -11.803 0.000) 11.898 12.215 ( -0.983 -7.440 0.000) 7.505 18.772 ( 0.982 13.544 -0.000) 13.579 20.926 ( -29.494 -2.623 -0.000) 29.610 21.455 ( 31.558 -7.534 0.000) 32.444 22.501 ( 2.215 0.180 0.000) 2.222 22.713 ( -5.297 -3.169 -0.000) 6.172 22.908 ( 4.196 1.876 0.000) 4.596 23.829 ( -7.064 -1.562 -0.000) 7.234 23.864 ( -0.591 -6.210 0.000) 6.238 24.771 ( -3.588 6.015 -0.000) 7.004 25.118 ( 8.396 2.572 0.000) 8.781 51.053 ( 5.634 4.111 0.000) 6.974 51.297 ( -1.610 -2.256 0.000) 2.772 51.493 ( 2.953 -5.620 0.000) 6.348 51.511 ( -3.922 4.232 -0.000) 5.770 51.571 ( -3.709 1.934 -0.000) 4.183 52.884 ( -0.206 -2.539 0.000) 2.547 53.560 ( 1.145 1.623 -0.000) 1.986 53.652 ( -0.405 -1.130 0.000) 1.201 ======================= Grid point 147 (86/105) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -12.700 -18.390 0.000) 22.349 2.153 ( -5.945 0.614 -0.000) 5.977 2.372 ( -6.681 14.708 -0.000) 16.155 2.664 ( 0.250 15.684 -0.000) 15.686 2.924 ( -3.238 -6.765 0.000) 7.500 3.321 ( 3.150 -7.172 0.000) 7.833 4.110 ( -3.988 -12.359 0.000) 12.986 4.206 ( 3.310 3.138 0.000) 4.561 4.347 ( 5.425 -1.157 0.000) 5.547 4.472 ( 8.491 9.170 -0.000) 12.497 4.738 ( 0.985 -7.572 0.000) 7.636 4.941 ( 1.161 -11.116 0.000) 11.176 8.637 ( -15.108 18.314 -0.000) 23.741 9.798 ( -12.602 -6.835 -0.000) 14.337 10.409 ( 22.655 8.520 0.000) 24.204 10.972 ( 5.594 3.034 0.000) 6.364 11.499 ( 6.429 -14.112 0.000) 15.508 11.975 ( 0.071 -14.155 0.000) 14.155 19.131 ( 3.607 15.532 -0.000) 15.945 20.334 ( -24.766 0.587 -0.000) 24.773 21.848 ( 21.371 -8.301 0.000) 22.927 22.527 ( -3.062 1.595 -0.000) 3.452 22.579 ( -2.280 -0.217 -0.000) 2.290 23.103 ( 7.287 4.999 0.000) 8.837 23.665 ( -1.379 -10.612 0.000) 10.701 23.717 ( -3.163 0.203 -0.000) 3.169 24.814 ( -5.645 7.334 -0.000) 9.255 25.243 ( -0.214 1.972 -0.000) 1.983 51.233 ( -1.344 -1.312 -0.000) 1.878 51.324 ( 8.489 3.828 0.000) 9.312 51.462 ( 4.772 -4.989 0.000) 6.904 51.466 ( -8.971 5.460 -0.000) 10.502 51.555 ( 2.375 0.658 0.000) 2.465 52.766 ( -5.768 -2.339 -0.000) 6.224 53.616 ( -0.257 -1.509 0.000) 1.530 53.626 ( 1.529 1.630 -0.000) 2.234 ======================= Grid point 148 (87/105) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -4.997 -1.846 -0.000) 5.327 2.127 ( 1.456 2.566 -0.000) 2.951 2.391 ( -10.716 3.141 -0.000) 11.167 2.537 ( -2.111 -11.005 0.000) 11.205 3.199 ( 2.409 18.830 -0.000) 18.984 3.215 ( -0.929 0.778 -0.000) 1.212 3.929 ( 1.919 -5.353 0.000) 5.686 4.208 ( -1.430 -2.614 0.000) 2.980 4.403 ( 8.254 -10.655 0.000) 13.478 4.588 ( 1.041 -7.563 0.000) 7.634 4.692 ( 2.354 -0.266 0.000) 2.369 4.823 ( 8.294 -7.909 0.000) 11.461 8.844 ( -6.282 22.336 -0.000) 23.202 9.355 ( -18.943 -1.421 -0.000) 18.997 11.021 ( 19.936 2.430 0.000) 20.084 11.157 ( 14.521 -1.741 0.000) 14.625 11.325 ( 5.060 -16.143 0.000) 16.917 11.648 ( 2.048 -17.458 0.000) 17.577 19.573 ( 4.548 18.200 -0.000) 18.760 19.873 ( -20.231 -0.040 -0.000) 20.231 22.046 ( 7.824 -0.228 0.000) 7.827 22.399 ( -6.886 -4.426 -0.000) 8.186 22.628 ( 4.602 1.178 0.000) 4.750 23.257 ( -3.029 -6.079 0.000) 6.792 23.511 ( 8.370 0.140 0.000) 8.371 23.682 ( 0.737 -1.378 0.000) 1.562 24.838 ( -7.259 7.833 -0.000) 10.679 25.225 ( -5.447 2.574 -0.000) 6.024 51.167 ( -2.823 -0.875 -0.000) 2.956 51.321 ( -2.801 -1.903 -0.000) 3.386 51.425 ( -1.139 -1.649 0.000) 2.004 51.482 ( 5.549 -3.785 0.000) 6.717 51.895 ( 10.453 13.289 -0.000) 16.908 52.551 ( -9.272 -2.992 -0.000) 9.743 53.581 ( -0.108 -1.375 0.000) 1.379 53.673 ( 0.541 0.378 0.000) 0.660 ======================= Grid point 150 (88/105) ======================= q-point: ( 0.22 0.78 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 5.921 20.725 -0.000) 21.554 2.229 ( -4.232 -0.285 -0.000) 4.242 2.344 ( 6.485 -7.372 0.000) 9.818 2.366 ( 11.460 7.132 0.000) 13.498 3.209 ( -9.427 0.909 -0.000) 9.471 3.625 ( 0.363 17.550 -0.000) 17.554 3.857 ( -0.378 0.570 -0.000) 0.684 4.026 ( -5.906 -8.514 0.000) 10.362 4.315 ( 5.816 -10.980 0.000) 12.425 4.515 ( 8.436 -7.360 0.000) 11.196 4.748 ( 4.380 -0.211 0.000) 4.385 4.787 ( 6.730 -10.694 0.000) 12.636 9.016 ( -17.506 6.774 -0.000) 18.771 9.270 ( 1.933 21.021 -0.000) 21.110 10.939 ( -3.270 -22.141 0.000) 22.381 11.252 ( 12.908 -4.943 0.000) 13.822 11.367 ( 2.273 -14.726 0.000) 14.900 11.609 ( 21.021 0.671 0.000) 21.031 19.460 ( -17.169 -1.712 -0.000) 17.254 20.095 ( 4.323 22.453 -0.000) 22.866 22.034 ( -6.284 -16.417 0.000) 17.579 22.225 ( 2.019 7.409 -0.000) 7.679 22.753 ( 2.808 2.344 0.000) 3.658 22.977 ( -2.908 -9.205 0.000) 9.654 23.689 ( 5.047 -3.562 0.000) 6.177 23.769 ( 7.789 2.836 0.000) 8.289 24.857 ( -7.291 9.442 -0.000) 11.929 25.135 ( -7.736 2.086 -0.000) 8.012 51.088 ( -3.956 0.616 -0.000) 4.004 51.264 ( 0.655 -0.819 0.000) 1.049 51.361 ( 0.435 -3.105 0.000) 3.135 51.520 ( 4.291 -2.793 0.000) 5.120 52.247 ( -10.784 -5.546 -0.000) 12.127 52.390 ( 8.396 12.815 -0.000) 15.320 53.559 ( -0.091 -0.394 0.000) 0.404 53.667 ( 0.050 -1.113 0.000) 1.114 ======================= Grid point 152 (89/105) ======================= q-point: ( 0.22 -0.22 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -3.018 8.482 -0.000) 9.003 2.209 ( 3.852 -1.329 0.000) 4.075 2.671 ( 15.730 4.915 0.000) 16.480 2.791 ( -16.901 -4.770 -0.000) 17.561 2.842 ( 12.700 6.060 0.000) 14.072 3.530 ( -8.964 -20.134 0.000) 22.039 3.884 ( -13.015 17.591 -0.000) 21.882 3.982 ( 2.317 4.997 -0.000) 5.508 4.306 ( 8.666 -2.009 0.000) 8.896 4.451 ( -2.045 -7.139 0.000) 7.427 4.787 ( 10.707 -5.481 0.000) 12.028 4.906 ( 9.923 0.539 0.000) 9.937 8.886 ( -13.810 9.998 -0.000) 17.049 9.754 ( 7.359 14.050 -0.000) 15.861 10.307 ( -9.797 -22.220 0.000) 24.284 11.076 ( -4.937 -10.053 0.000) 11.200 11.442 ( 13.533 -3.288 0.000) 13.927 11.993 ( 15.244 -0.808 0.000) 15.266 19.082 ( -15.200 -1.425 -0.000) 15.267 20.710 ( 4.566 27.208 -0.000) 27.589 21.497 ( -1.144 -25.730 0.000) 25.755 22.410 ( -0.621 7.656 -0.000) 7.681 22.790 ( 0.318 -6.109 0.000) 6.117 22.840 ( -0.044 3.547 -0.000) 3.547 23.751 ( 7.198 -2.743 0.000) 7.703 23.891 ( 4.194 -3.469 0.000) 5.443 24.959 ( -4.538 11.907 -0.000) 12.742 24.979 ( -8.085 -1.027 -0.000) 8.150 51.041 ( -4.224 3.379 -0.000) 5.409 51.292 ( 1.788 -1.143 0.000) 2.122 51.351 ( 4.016 -0.357 0.000) 4.032 51.539 ( 1.897 -1.559 0.000) 2.455 51.881 ( -9.376 -8.173 -0.000) 12.438 52.741 ( 4.419 7.181 -0.000) 8.432 53.559 ( -0.569 0.884 -0.000) 1.051 53.648 ( 0.676 -1.128 0.000) 1.315 ======================= Grid point 166 (90/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -0.000 0.000 -18.698) 18.698 1.008 ( -0.000 0.000 -18.698) 18.698 1.748 ( -0.000 0.000 -42.502) 42.502 2.300 ( 0.000 -0.000 5.738) 5.738 2.300 ( 0.000 -0.000 5.738) 5.738 2.934 ( -0.000 0.000 -23.405) 23.405 3.899 ( -0.000 0.000 -0.629) 0.629 3.899 ( -0.000 0.000 -0.629) 0.629 4.399 ( 0.000 -0.000 1.340) 1.340 4.399 ( 0.000 -0.000 1.340) 1.340 4.774 ( 0.000 -0.000 22.935) 22.935 4.855 ( 0.000 -0.000 14.860) 14.860 9.299 ( -0.000 0.000 -15.844) 15.844 9.398 ( -0.000 0.000 -20.344) 20.344 9.398 ( -0.000 0.000 -20.344) 20.344 10.669 ( 0.000 -0.000 10.768) 10.768 11.619 ( 0.000 -0.000 21.929) 21.929 11.619 ( 0.000 -0.000 21.929) 21.929 21.045 ( -0.000 0.000 -6.343) 6.343 21.142 ( 0.000 -0.000 2.672) 2.672 21.142 ( 0.000 -0.000 2.672) 2.672 21.698 ( 0.000 -0.000 6.100) 6.100 22.957 ( -0.000 0.000 -4.319) 4.319 22.957 ( -0.000 0.000 -4.319) 4.319 23.066 ( -0.000 0.000 -3.614) 3.614 23.637 ( 0.000 -0.000 8.965) 8.965 24.940 ( -0.000 0.000 -13.012) 13.012 25.915 ( 0.000 -0.000 7.375) 7.375 51.206 ( 0.000 -0.000 2.140) 2.140 51.206 ( 0.000 -0.000 2.140) 2.140 51.530 ( -0.000 0.000 -2.408) 2.408 51.530 ( -0.000 0.000 -2.408) 2.408 51.961 ( -0.000 0.000 -5.947) 5.947 52.588 ( 0.000 -0.000 6.252) 6.252 53.497 ( -0.000 0.000 -2.364) 2.364 53.669 ( 0.000 -0.000 1.243) 1.243 ======================= Grid point 175 (91/105) ======================= q-point: (-0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -10.115 -5.425 -17.406) 20.850 1.839 ( 1.157 -17.647 -4.053) 18.143 2.274 ( 1.606 -1.330 -1.764) 2.731 2.406 ( 7.767 -13.592 4.888) 16.400 3.248 ( -6.465 -5.533 -17.245) 19.230 3.362 ( 0.073 -7.663 -19.494) 20.946 3.736 ( -5.183 5.701 3.938) 8.653 4.071 ( 5.618 -3.726 9.370) 11.543 4.279 ( -7.481 -3.211 13.038) 15.371 4.399 ( 10.079 -0.071 0.446) 10.089 4.497 ( 2.116 -2.134 10.784) 11.195 4.638 ( -2.786 -8.981 8.243) 12.505 9.335 ( 1.041 6.374 -19.750) 20.780 9.855 ( -8.487 5.227 -10.999) 14.844 10.089 ( 10.380 1.064 -5.731) 11.905 10.636 ( -4.020 -15.083 -8.469) 17.759 11.242 ( -0.380 -5.585 24.606) 25.235 11.431 ( 0.505 -12.911 20.207) 23.985 19.752 ( 0.318 24.527 -14.693) 28.593 21.103 ( -9.172 -0.104 2.573) 9.527 21.229 ( 7.416 6.747 4.433) 10.962 22.447 ( 1.293 -11.716 3.906) 12.418 22.783 ( -5.613 1.585 3.606) 6.857 22.997 ( 12.821 2.547 -1.570) 13.165 23.261 ( -5.453 -4.614 -5.127) 8.792 23.718 ( -1.547 -7.261 5.595) 9.297 25.089 ( 0.144 5.369 -11.624) 12.805 25.488 ( 0.177 8.315 5.516) 9.980 51.219 ( 0.981 -2.100 0.203) 2.327 51.258 ( 0.433 -2.621 1.902) 3.267 51.304 ( -0.736 5.478 -3.247) 6.410 51.507 ( 4.476 2.017 -0.331) 4.921 51.986 ( -7.748 7.064 -5.600) 11.886 52.665 ( 2.029 -6.424 6.313) 9.232 53.564 ( -0.112 -0.692 -1.736) 1.873 53.635 ( 0.659 0.099 1.482) 1.625 ======================= Grid point 176 (92/105) ======================= q-point: (-0.49 -0.26 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 9.216 3.734 -14.335) 17.446 1.616 ( 9.303 -14.961 -8.143) 19.408 2.158 ( -1.589 -1.553 -1.208) 2.529 2.331 ( 2.119 -6.780 4.595) 8.460 3.034 ( 16.361 -11.444 -28.497) 34.796 3.398 ( -2.049 1.830 -20.416) 20.600 3.852 ( 3.075 6.592 9.380) 11.870 3.943 ( -1.508 -7.621 3.584) 8.555 4.254 ( 1.740 2.958 14.268) 14.675 4.378 ( -1.513 -6.529 11.022) 12.900 4.482 ( 0.086 -2.426 13.077) 13.301 4.562 ( 7.329 -3.416 1.666) 8.256 9.364 ( -9.179 8.101 -22.212) 25.362 9.905 ( 1.686 5.617 -12.041) 13.393 10.221 ( -0.856 -16.988 -15.368) 22.924 10.395 ( 11.436 0.903 -1.212) 11.536 11.194 ( 4.448 -3.999 26.237) 26.910 11.271 ( 6.634 -7.223 24.409) 26.306 20.211 ( -19.260 18.495 -18.041) 32.225 20.655 ( -12.679 14.227 5.558) 19.850 21.916 ( 24.405 3.805 3.727) 24.979 21.951 ( -1.795 -27.235 9.101) 28.771 22.813 ( -3.097 9.148 -1.000) 9.710 22.994 ( -5.629 -5.480 -0.999) 7.920 23.306 ( 5.562 -1.575 -6.315) 8.561 23.589 ( 5.108 -4.070 7.220) 9.736 25.143 ( -3.711 3.549 -12.405) 13.426 25.586 ( -5.943 5.940 6.761) 10.785 51.191 ( 0.299 -1.344 0.676) 1.534 51.223 ( 2.005 -1.701 1.634) 3.095 51.398 ( -3.289 6.195 -2.924) 7.599 51.512 ( -5.458 -0.571 -0.999) 5.578 52.117 ( 3.627 3.991 -8.100) 9.731 52.538 ( 0.919 -4.272 9.052) 10.052 53.552 ( 0.072 0.016 -1.822) 1.823 53.642 ( 0.204 -0.681 1.401) 1.572 ======================= Grid point 184 (93/105) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -9.192 -12.084 0.000) 15.182 2.108 ( 5.248 -1.735 0.000) 5.527 2.656 ( -10.941 6.829 -0.000) 12.897 2.700 ( -3.267 20.620 -0.000) 20.878 2.929 ( 2.199 -15.966 0.000) 16.117 3.250 ( -1.868 -0.815 -0.000) 2.038 4.112 ( 6.343 4.330 0.000) 7.680 4.187 ( 4.449 3.446 0.000) 5.627 4.265 ( 4.436 -5.857 0.000) 7.347 4.321 ( -3.858 -0.262 -0.000) 3.867 4.729 ( -0.494 -10.278 0.000) 10.290 4.924 ( 0.851 -10.725 0.000) 10.759 8.934 ( -8.514 15.434 -0.000) 17.626 9.925 ( 1.238 -6.940 0.000) 7.050 10.077 ( 4.399 10.347 -0.000) 11.244 10.938 ( -2.577 4.098 -0.000) 4.841 11.412 ( 1.170 -14.234 0.000) 14.282 11.977 ( -0.432 -14.938 0.000) 14.944 19.080 ( 1.176 15.709 -0.000) 15.753 20.905 ( -28.237 0.818 -0.000) 28.249 21.309 ( 27.787 -6.001 0.000) 28.428 22.534 ( 2.943 2.438 0.000) 3.822 22.669 ( -5.350 -0.985 -0.000) 5.440 22.945 ( 6.651 1.533 0.000) 6.826 23.700 ( -2.016 -9.199 0.000) 9.418 23.802 ( -4.492 -1.351 -0.000) 4.690 24.923 ( -4.209 8.321 -0.000) 9.325 25.169 ( 7.150 2.505 0.000) 7.576 51.153 ( 7.054 5.048 0.000) 8.674 51.262 ( -1.399 -0.921 -0.000) 1.675 51.380 ( 2.809 -4.944 0.000) 5.686 51.523 ( 0.024 -1.745 0.000) 1.745 51.684 ( -10.132 7.577 -0.000) 12.652 52.824 ( 0.538 -3.372 0.000) 3.415 53.589 ( 1.799 1.148 0.000) 2.134 53.627 ( -0.780 -1.175 0.000) 1.411 ======================= Grid point 185 (94/105) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -13.312 -9.221 -0.000) 16.194 2.082 ( 2.177 -4.605 0.000) 5.094 2.565 ( -0.239 -14.140 0.000) 14.142 2.613 ( -7.906 2.290 -0.000) 8.231 3.152 ( 1.781 18.368 -0.000) 18.454 3.248 ( -2.220 3.617 -0.000) 4.244 3.862 ( 1.440 -10.331 0.000) 10.431 4.195 ( -0.797 -5.635 0.000) 5.691 4.289 ( 4.990 -5.425 0.000) 7.371 4.571 ( 6.630 -0.142 0.000) 6.631 4.612 ( 5.153 -2.494 0.000) 5.724 4.678 ( 0.693 -13.327 0.000) 13.345 9.054 ( -12.715 20.358 -0.000) 24.002 9.698 ( -12.234 -2.533 -0.000) 12.493 10.552 ( 21.182 5.054 0.000) 21.777 10.966 ( 4.927 -3.151 0.000) 5.848 11.189 ( 6.398 -14.929 0.000) 16.243 11.613 ( 1.316 -19.602 0.000) 19.646 19.490 ( 3.127 18.881 -0.000) 19.138 20.365 ( -26.283 2.190 -0.000) 26.374 21.740 ( 21.058 -1.716 0.000) 21.128 22.528 ( -4.759 -2.753 -0.000) 5.498 22.594 ( -1.717 1.799 -0.000) 2.487 23.200 ( 9.406 3.705 0.000) 10.109 23.423 ( -1.367 -11.201 0.000) 11.284 23.702 ( -2.259 -2.001 -0.000) 3.018 24.993 ( -6.989 9.339 -0.000) 11.664 25.290 ( -0.398 2.703 -0.000) 2.732 51.223 ( -2.490 0.430 -0.000) 2.527 51.320 ( 2.160 -2.945 0.000) 3.652 51.368 ( 4.967 -3.767 0.000) 6.234 51.519 ( -3.513 0.782 -0.000) 3.599 51.720 ( 2.563 12.390 -0.000) 12.652 52.702 ( -4.648 -4.014 -0.000) 6.141 53.587 ( -0.521 -1.180 0.000) 1.290 53.650 ( 1.663 0.530 0.000) 1.746 ======================= Grid point 187 (95/105) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.628 16.795 -0.000) 17.713 2.130 ( 10.154 -1.990 0.000) 10.348 2.292 ( 0.267 -11.372 0.000) 11.376 2.356 ( -7.151 -5.892 -0.000) 9.266 3.348 ( -4.664 9.767 -0.000) 10.824 3.575 ( 2.958 16.460 -0.000) 16.723 3.853 ( 4.012 -1.694 0.000) 4.355 4.049 ( 5.339 -12.643 0.000) 13.724 4.193 ( 2.130 -8.069 0.000) 8.345 4.355 ( 2.901 -11.686 0.000) 12.041 4.644 ( 7.239 -9.509 0.000) 11.951 4.699 ( 2.343 0.087 0.000) 2.345 9.299 ( -4.723 19.820 -0.000) 20.375 9.388 ( -17.080 4.533 -0.000) 17.672 10.954 ( 1.891 -18.920 0.000) 19.014 10.995 ( 11.594 -4.231 0.000) 12.342 11.137 ( 22.357 -0.126 0.000) 22.357 11.276 ( 5.266 -16.749 0.000) 17.557 19.876 ( -22.537 0.313 -0.000) 22.539 20.009 ( 3.643 23.362 -0.000) 23.644 22.123 ( 9.523 7.109 0.000) 11.884 22.192 ( -8.021 -16.233 0.000) 18.107 22.675 ( 3.320 3.477 -0.000) 4.808 23.052 ( -4.106 -9.935 0.000) 10.750 23.582 ( 10.139 3.961 0.000) 10.885 23.617 ( 1.407 -4.766 0.000) 4.969 25.024 ( -8.321 9.374 -0.000) 12.535 25.280 ( -5.656 2.587 -0.000) 6.219 51.172 ( -3.806 1.380 -0.000) 4.048 51.254 ( 0.509 -3.303 0.000) 3.342 51.407 ( -4.857 -0.738 -0.000) 4.912 51.418 ( 5.026 -2.067 0.000) 5.434 52.188 ( 10.361 13.713 -0.000) 17.187 52.455 ( -8.441 -6.339 -0.000) 10.556 53.561 ( -0.211 -0.335 0.000) 0.396 53.664 ( 0.351 -1.168 0.000) 1.220 ======================= Grid point 189 (96/105) ======================= q-point: ( 0.28 0.72 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -3.762 7.619 -0.000) 8.497 2.126 ( 4.279 -9.571 0.000) 10.484 2.295 ( 18.570 8.819 0.000) 20.558 2.484 ( 15.885 4.300 0.000) 16.457 3.197 ( -17.341 -2.491 -0.000) 17.519 3.715 ( -7.458 -15.726 0.000) 17.405 3.946 ( 1.382 7.672 -0.000) 7.796 3.979 ( 5.460 10.071 -0.000) 11.456 4.149 ( 4.881 -3.306 0.000) 5.895 4.424 ( 8.053 -0.630 0.000) 8.077 4.543 ( 8.420 -11.696 0.000) 14.412 4.746 ( 4.578 -0.276 0.000) 4.587 9.201 ( -15.740 9.346 -0.000) 18.306 9.648 ( 2.621 13.922 -0.000) 14.167 10.475 ( -5.844 -19.822 0.000) 20.665 11.093 ( 2.857 -10.499 0.000) 10.881 11.152 ( 13.404 -4.000 0.000) 13.988 11.606 ( 20.975 -0.695 0.000) 20.987 19.436 ( -18.657 -0.469 -0.000) 18.663 20.620 ( 3.639 27.000 -0.000) 27.244 21.571 ( -5.544 -26.548 0.000) 27.120 22.420 ( 0.720 9.862 -0.000) 9.889 22.807 ( -1.994 -6.999 0.000) 7.278 22.824 ( 1.754 4.541 -0.000) 4.868 23.594 ( 7.073 -5.108 0.000) 8.725 23.792 ( 5.558 -0.548 0.000) 5.585 25.068 ( -6.001 9.690 -0.000) 11.398 25.157 ( -8.467 -0.269 -0.000) 8.471 51.137 ( -4.546 3.963 -0.000) 6.031 51.250 ( 2.300 0.069 0.000) 2.301 51.314 ( -0.889 -1.804 0.000) 2.011 51.477 ( 3.591 -1.082 0.000) 3.750 52.088 ( -9.798 -9.528 -0.000) 13.667 52.622 ( 6.970 8.572 -0.000) 11.048 53.567 ( -0.219 1.228 -0.000) 1.247 53.636 ( 0.414 -1.646 0.000) 1.697 ======================= Grid point 214 (97/105) ======================= q-point: (-0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -5.314 -6.081 -11.032) 13.672 1.478 ( 2.834 -15.157 -8.883) 17.795 2.210 ( 1.371 -2.694 -0.455) 3.057 2.253 ( 1.594 -1.426 -0.214) 2.149 2.866 ( -1.794 -18.453 -30.704) 35.868 3.419 ( 0.039 2.506 -22.921) 23.058 3.829 ( -2.113 3.025 4.789) 6.045 3.946 ( 2.170 -6.811 6.199) 9.462 4.231 ( -2.254 -1.630 23.033) 23.200 4.400 ( 6.754 0.079 1.972) 7.037 4.468 ( -3.652 -4.216 4.443) 7.131 4.481 ( -0.576 -1.318 14.195) 14.268 9.492 ( 0.789 9.037 -21.675) 23.497 9.895 ( -5.030 -0.447 -24.238) 24.758 10.081 ( 6.444 -7.424 -14.078) 17.171 10.387 ( -2.409 -3.599 7.008) 8.239 11.142 ( -0.163 -3.614 26.861) 27.103 11.199 ( 0.206 -8.514 25.516) 26.900 20.379 ( 0.199 34.537 -11.849) 36.513 21.097 ( -0.622 -0.224 1.628) 1.757 21.365 ( -0.363 4.428 5.297) 6.913 21.993 ( 0.778 -29.141 6.437) 29.853 22.891 ( -4.104 7.866 -1.247) 8.959 23.030 ( 7.965 0.585 -2.341) 8.322 23.216 ( -3.626 -1.360 -4.968) 6.300 23.548 ( -0.203 -7.821 6.654) 10.271 25.183 ( 0.053 3.287 -13.029) 13.437 25.654 ( -0.012 6.609 8.425) 10.708 51.184 ( 0.719 -1.177 1.010) 1.710 51.198 ( -0.544 -2.417 1.451) 2.871 51.457 ( -1.785 8.178 -2.660) 8.783 51.551 ( 3.155 1.723 -1.114) 3.763 52.095 ( -2.847 2.612 -7.595) 8.521 52.517 ( 1.179 -6.593 8.398) 10.742 53.552 ( -0.043 -0.387 -2.246) 2.279 53.637 ( 0.162 0.069 1.707) 1.716 ======================= Grid point 223 (98/105) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -14.907 -10.194 -0.000) 18.059 2.058 ( -0.229 -3.353 0.000) 3.361 2.548 ( 1.821 -16.677 0.000) 16.776 2.589 ( 11.031 -9.814 0.000) 14.765 3.143 ( -1.396 19.150 -0.000) 19.201 3.389 ( -12.578 11.109 -0.000) 16.782 3.927 ( -6.508 -14.423 0.000) 15.823 4.135 ( 8.867 -2.608 0.000) 9.243 4.307 ( -8.736 -4.317 -0.000) 9.745 4.338 ( 12.919 -0.585 0.000) 12.932 4.493 ( 5.247 -8.673 0.000) 10.137 4.723 ( -2.117 -7.804 0.000) 8.086 9.283 ( -4.939 17.118 -0.000) 17.817 9.819 ( 1.430 -2.999 0.000) 3.323 10.255 ( 2.940 6.294 -0.000) 6.947 10.946 ( -3.127 -2.933 -0.000) 4.287 11.109 ( 0.592 -14.045 0.000) 14.058 11.597 ( 0.115 -20.658 0.000) 20.658 19.444 ( 1.248 19.170 -0.000) 19.211 20.962 ( -29.088 4.368 -0.000) 29.414 21.211 ( 27.229 -3.058 0.000) 27.400 22.564 ( 2.352 -1.163 0.000) 2.624 22.676 ( -5.377 1.767 -0.000) 5.660 22.973 ( 9.995 1.403 0.000) 10.092 23.491 ( -4.329 -9.918 0.000) 10.821 23.757 ( -2.504 -3.331 0.000) 4.167 25.113 ( -4.013 9.358 -0.000) 10.182 25.235 ( 5.550 3.955 0.000) 6.815 51.241 ( 5.140 2.440 0.000) 5.690 51.267 ( -0.807 1.551 -0.000) 1.748 51.287 ( 1.611 -3.730 0.000) 4.063 51.485 ( 2.190 -0.867 0.000) 2.355 51.862 ( -11.066 9.047 -0.000) 14.293 52.734 ( 1.835 -5.373 0.000) 5.678 53.605 ( -1.212 -0.850 -0.000) 1.480 53.606 ( 2.249 0.441 0.000) 2.292 ======================= Grid point 225 (99/105) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -2.753 2.565 -0.000) 3.763 1.959 ( 5.443 -8.034 0.000) 9.704 2.283 ( 0.816 -10.984 0.000) 11.014 2.484 ( -2.716 -10.412 0.000) 10.760 3.444 ( -5.009 10.846 -0.000) 11.947 3.526 ( 1.489 16.515 -0.000) 16.582 3.693 ( 7.006 -5.099 0.000) 8.666 3.959 ( 1.040 -14.625 0.000) 14.662 4.148 ( 3.070 -7.778 0.000) 8.362 4.401 ( -1.523 -12.216 0.000) 12.310 4.492 ( 4.051 -6.138 0.000) 7.354 4.604 ( 6.789 -0.132 0.000) 6.790 9.461 ( -10.024 17.507 -0.000) 20.174 9.697 ( -11.051 2.653 -0.000) 11.365 10.626 ( 20.236 2.116 0.000) 20.346 10.862 ( 5.098 -6.112 0.000) 7.959 10.880 ( 4.005 -14.334 0.000) 14.883 11.179 ( 3.557 -20.380 0.000) 20.688 19.945 ( 2.406 24.490 -0.000) 24.608 20.418 ( -28.641 2.574 -0.000) 28.756 21.770 ( 23.435 4.058 0.000) 23.784 22.344 ( -5.700 -15.922 0.000) 16.911 22.664 ( -2.308 5.180 -0.000) 5.671 23.144 ( -3.868 -7.827 0.000) 8.731 23.345 ( 11.334 3.407 0.000) 11.835 23.622 ( -1.311 -5.685 0.000) 5.834 25.192 ( -7.051 9.054 -0.000) 11.476 25.358 ( -1.459 3.629 -0.000) 3.911 51.236 ( -1.429 -0.407 -0.000) 1.486 51.244 ( 0.405 -3.657 0.000) 3.680 51.329 ( 2.356 1.429 0.000) 2.755 51.531 ( -4.706 0.209 -0.000) 4.710 51.997 ( 5.453 13.132 -0.000) 14.219 52.585 ( -3.503 -7.202 0.000) 8.009 53.570 ( -0.703 -0.284 -0.000) 0.758 53.647 ( 1.364 -0.792 0.000) 1.577 ======================= Grid point 227 (100/105) ======================= q-point: ( 0.33 0.67 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 17.993 11.760 0.000) 21.496 1.960 ( 12.203 -13.867 0.000) 18.471 2.126 ( -3.090 0.976 -0.000) 3.240 2.276 ( 2.349 -0.930 0.000) 2.526 3.504 ( -11.001 3.120 -0.000) 11.434 3.765 ( 7.594 -11.387 0.000) 13.687 3.846 ( -1.134 2.443 -0.000) 2.693 3.867 ( 8.853 3.145 0.000) 9.395 4.052 ( 4.830 -0.116 0.000) 4.832 4.192 ( 6.483 -3.175 0.000) 7.219 4.446 ( 3.768 -7.450 0.000) 8.348 4.674 ( 3.678 -2.764 0.000) 4.601 9.534 ( -15.226 8.434 -0.000) 17.406 9.649 ( -2.832 12.694 -0.000) 13.006 10.551 ( -1.591 -17.775 0.000) 17.847 10.896 ( 10.354 -4.331 0.000) 11.223 10.981 ( 7.071 -10.642 0.000) 12.777 11.130 ( 23.414 -0.506 0.000) 23.420 19.886 ( -24.277 0.648 -0.000) 24.286 20.560 ( 2.095 28.557 -0.000) 28.634 21.714 ( -7.519 -27.921 0.000) 28.915 22.302 ( 12.607 8.148 0.000) 15.011 22.788 ( 0.344 7.829 -0.000) 7.837 22.877 ( -4.741 -6.867 0.000) 8.345 23.485 ( 2.782 -7.431 0.000) 7.934 23.643 ( 8.812 1.569 0.000) 8.951 25.211 ( -7.292 7.815 -0.000) 10.689 25.322 ( -6.754 0.916 -0.000) 6.816 51.207 ( 1.602 -0.932 0.000) 1.854 51.214 ( -1.978 1.947 -0.000) 2.776 51.383 ( -5.472 -1.573 -0.000) 5.694 51.412 ( 1.644 2.179 -0.000) 2.730 52.278 ( -7.825 -10.244 0.000) 12.891 52.445 ( 9.561 10.042 -0.000) 13.866 53.570 ( -0.151 1.223 -0.000) 1.232 53.630 ( 0.243 -1.881 0.000) 1.897 ======================= Grid point 254 (101/105) ======================= q-point: (-0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.000 0.000 -8.240) 8.240 1.290 ( -0.000 0.000 -8.240) 8.240 2.234 ( 0.000 -0.000 0.555) 0.555 2.234 ( 0.000 -0.000 0.555) 0.555 2.618 ( -0.000 0.000 -41.228) 41.228 3.444 ( -0.000 0.000 -24.356) 24.356 3.859 ( 0.000 -0.000 3.390) 3.390 3.859 ( 0.000 -0.000 3.390) 3.390 4.213 ( 0.000 -0.000 30.104) 30.104 4.405 ( -0.000 0.000 -1.261) 1.261 4.405 ( -0.000 0.000 -1.261) 1.261 4.488 ( 0.000 -0.000 20.406) 20.406 9.662 ( -0.000 0.000 -18.698) 18.698 9.885 ( -0.000 0.000 -26.016) 26.016 9.885 ( -0.000 0.000 -26.016) 26.016 10.398 ( 0.000 -0.000 15.248) 15.248 11.101 ( 0.000 -0.000 27.214) 27.214 11.101 ( 0.000 -0.000 27.214) 27.214 21.095 ( 0.000 -0.000 1.676) 1.676 21.095 ( 0.000 -0.000 1.676) 1.676 21.197 ( -0.000 0.000 -8.202) 8.202 21.550 ( 0.000 -0.000 8.000) 8.000 23.034 ( -0.000 0.000 -2.830) 2.830 23.034 ( -0.000 0.000 -2.830) 2.830 23.160 ( -0.000 0.000 -5.474) 5.474 23.454 ( 0.000 -0.000 8.487) 8.487 25.219 ( -0.000 0.000 -13.583) 13.583 25.730 ( 0.000 -0.000 10.392) 10.392 51.171 ( 0.000 -0.000 1.200) 1.200 51.171 ( 0.000 -0.000 1.200) 1.200 51.570 ( -0.000 0.000 -1.389) 1.389 51.570 ( -0.000 0.000 -1.389) 1.389 52.104 ( -0.000 0.000 -7.711) 7.711 52.441 ( 0.000 -0.000 7.827) 7.827 53.548 ( -0.000 0.000 -2.464) 2.464 53.638 ( 0.000 -0.000 1.769) 1.769 ======================= Grid point 263 (102/105) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -12.731 -9.458 -0.000) 15.860 1.914 ( -1.081 -11.783 0.000) 11.832 2.270 ( 0.143 -8.271 0.000) 8.272 2.383 ( 12.378 -7.716 0.000) 14.586 3.514 ( -0.313 15.590 -0.000) 15.593 3.564 ( -6.841 -1.050 -0.000) 6.921 3.704 ( -7.866 -0.579 -0.000) 7.888 3.949 ( 2.822 -15.870 0.000) 16.119 4.125 ( -2.994 -7.196 0.000) 7.794 4.238 ( 11.002 -7.161 0.000) 13.127 4.444 ( 6.620 0.188 0.000) 6.623 4.581 ( -5.810 -6.243 0.000) 8.529 9.636 ( -2.590 15.769 -0.000) 15.980 9.805 ( 1.413 1.908 -0.000) 2.374 10.342 ( 2.410 2.133 0.000) 3.218 10.838 ( -0.637 -11.325 0.000) 11.343 10.838 ( -2.803 -6.638 0.000) 7.206 11.131 ( 0.983 -22.652 0.000) 22.673 19.906 ( 1.322 24.956 -0.000) 24.991 21.056 ( -27.035 2.973 -0.000) 27.198 21.201 ( 25.094 3.032 0.000) 25.277 22.402 ( 0.767 -15.441 0.000) 15.460 22.750 ( -5.255 5.407 -0.000) 7.540 23.015 ( 12.725 2.438 0.000) 12.957 23.326 ( -6.904 -4.840 -0.000) 8.431 23.649 ( -0.792 -7.035 0.000) 7.080 25.302 ( -3.072 8.129 -0.000) 8.690 25.336 ( 3.638 5.351 -0.000) 6.471 51.216 ( 1.604 -2.692 0.000) 3.134 51.237 ( 0.415 -2.266 0.000) 2.303 51.342 ( -2.091 5.353 -0.000) 5.747 51.509 ( 5.498 2.586 0.000) 6.075 52.053 ( -9.427 8.741 -0.000) 12.856 52.589 ( 3.329 -8.344 0.000) 8.984 53.593 ( -1.463 -0.239 -0.000) 1.483 53.608 ( 2.103 -0.219 0.000) 2.115 ======================= Grid point 265 (103/105) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 12.754 1.980 0.000) 12.907 1.709 ( 9.676 -14.841 0.000) 17.716 2.172 ( -1.459 1.537 -0.000) 2.119 2.297 ( -1.918 -6.289 0.000) 6.575 3.564 ( 9.692 1.229 0.000) 9.769 3.633 ( 3.258 -12.404 0.000) 12.824 3.698 ( -2.337 3.986 -0.000) 4.621 3.861 ( 2.172 12.521 -0.000) 12.708 3.963 ( 1.595 -9.118 0.000) 9.256 4.181 ( -0.685 -8.822 0.000) 8.849 4.386 ( 0.310 -1.852 0.000) 1.878 4.569 ( 6.076 -3.404 0.000) 6.965 9.768 ( -8.180 11.051 -0.000) 13.749 9.810 ( -9.825 7.591 -0.000) 12.416 10.563 ( -0.396 -15.638 0.000) 15.643 10.653 ( 20.421 0.461 0.000) 20.427 10.732 ( 5.157 -5.368 0.000) 7.443 10.827 ( 6.763 -11.331 0.000) 13.196 20.467 ( -30.508 1.990 -0.000) 30.573 20.527 ( 1.230 30.270 -0.000) 30.295 21.860 ( -5.589 -28.644 0.000) 29.184 21.874 ( 26.625 4.638 0.000) 27.026 22.824 ( -3.212 10.037 -0.000) 10.538 23.006 ( -7.187 -5.313 -0.000) 8.938 23.421 ( 11.673 3.049 0.000) 12.065 23.464 ( -0.091 -8.943 0.000) 8.944 25.357 ( -5.949 6.220 -0.000) 8.607 25.428 ( -3.046 2.457 -0.000) 3.913 51.184 ( 0.585 -1.780 0.000) 1.874 51.206 ( 1.877 -1.561 0.000) 2.441 51.429 ( -2.495 6.848 -0.000) 7.289 51.522 ( -6.390 -1.095 -0.000) 6.483 52.247 ( 7.745 9.935 -0.000) 12.597 52.398 ( -3.075 -10.129 0.000) 10.585 53.577 ( -0.497 0.852 -0.000) 0.987 53.622 ( 0.639 -1.436 0.000) 1.572 ======================= Grid point 304 (104/105) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -5.043 -7.960 0.000) 9.423 1.583 ( 2.412 -16.804 0.000) 16.976 2.209 ( -2.528 1.222 -0.000) 2.808 2.275 ( 4.736 -3.179 0.000) 5.704 3.455 ( -2.232 -3.642 0.000) 4.271 3.598 ( 1.525 -14.672 0.000) 14.751 3.768 ( 3.896 6.975 -0.000) 7.989 3.794 ( -6.278 3.202 -0.000) 7.047 4.023 ( -5.838 -1.710 -0.000) 6.083 4.092 ( 8.435 -5.525 0.000) 10.083 4.438 ( 5.572 -0.881 0.000) 5.641 4.466 ( -5.821 -4.102 -0.000) 7.121 9.905 ( 1.294 7.447 -0.000) 7.558 9.923 ( -1.901 10.760 -0.000) 10.926 10.358 ( 2.551 -0.265 0.000) 2.565 10.602 ( -3.534 -14.541 0.000) 14.964 10.696 ( -1.849 -6.029 0.000) 6.306 10.718 ( 3.247 -11.641 0.000) 12.086 20.501 ( 1.316 31.053 -0.000) 31.081 21.077 ( -7.289 0.063 -0.000) 7.289 21.312 ( 6.209 5.411 0.000) 8.237 21.926 ( -0.268 -28.364 0.000) 28.366 22.906 ( -4.341 9.189 -0.000) 10.163 23.055 ( 8.657 1.060 0.000) 8.721 23.284 ( -5.078 0.099 -0.000) 5.079 23.462 ( 0.791 -10.309 0.000) 10.339 25.441 ( -1.640 4.698 -0.000) 4.976 25.443 ( 1.725 4.236 -0.000) 4.574 51.173 ( 0.751 -1.379 0.000) 1.570 51.183 ( -0.546 -2.187 0.000) 2.254 51.485 ( -2.398 7.375 -0.000) 7.755 51.562 ( 3.750 2.031 0.000) 4.265 52.210 ( -5.337 5.605 -0.000) 7.740 52.394 ( 3.643 -9.302 0.000) 9.989 53.593 ( -1.116 0.195 -0.000) 1.133 53.601 ( 1.248 -0.369 0.000) 1.301 ======================= Grid point 346 (105/105) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -0.000 0.000 -0.000) 0.000 1.368 ( -0.000 0.000 -0.000) 0.000 2.240 ( -0.000 0.000 -0.000) 0.000 2.240 ( -0.000 0.000 -0.000) 0.000 3.425 ( -0.000 0.000 -34.814) 34.814 3.425 ( 0.000 -0.000 34.814) 34.814 3.814 ( -0.000 0.000 -0.000) 0.000 3.814 ( -0.000 0.000 -0.000) 0.000 4.036 ( -0.000 0.000 -21.429) 21.429 4.036 ( 0.000 -0.000 21.429) 21.429 4.422 ( -0.000 0.000 -0.000) 0.000 4.422 ( -0.000 0.000 -0.000) 0.000 10.049 ( -0.000 0.000 -18.201) 18.201 10.049 ( 0.000 -0.000 18.201) 18.201 10.350 ( -0.000 0.000 -0.000) 0.000 10.350 ( -0.000 0.000 -0.000) 0.000 10.623 ( 0.000 -0.000 0.000) 0.000 10.623 ( 0.000 -0.000 0.000) 0.000 21.077 ( -0.000 0.000 -0.000) 0.000 21.077 ( -0.000 0.000 -0.000) 0.000 21.375 ( -0.000 0.000 -8.756) 8.756 21.375 ( 0.000 -0.000 8.756) 8.756 23.065 ( -0.000 0.000 -0.000) 0.000 23.065 ( -0.000 0.000 -0.000) 0.000 23.291 ( -0.000 0.000 -7.189) 7.189 23.291 ( 0.000 -0.000 7.189) 7.189 25.491 ( -0.000 0.000 -12.567) 12.567 25.491 ( 0.000 -0.000 12.567) 12.567 51.158 ( -0.000 0.000 -0.000) 0.000 51.158 ( -0.000 0.000 -0.000) 0.000 51.585 ( -0.000 0.000 -0.000) 0.000 51.585 ( -0.000 0.000 -0.000) 0.000 52.272 ( -0.000 0.000 -8.336) 8.336 52.272 ( 0.000 -0.000 8.336) 8.336 53.596 ( -0.000 0.000 -2.200) 2.200 53.596 ( 0.000 -0.000 2.200) 2.200 =================== 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 3/23328 10.0 311.454 311.454 195.425 -0.000 0.000 0.000 3/23328 20.0 54.695 54.695 40.235 -0.000 0.000 0.000 3/23328 30.0 24.124 24.124 17.691 -0.000 0.000 0.000 3/23328 40.0 14.465 14.465 10.623 -0.000 0.000 0.000 3/23328 50.0 10.210 10.210 7.537 -0.000 0.000 0.000 3/23328 60.0 7.896 7.896 5.859 -0.000 0.000 0.000 3/23328 70.0 6.448 6.448 4.802 -0.000 0.000 0.000 3/23328 80.0 5.453 5.453 4.069 -0.000 0.000 0.000 3/23328 90.0 4.725 4.725 3.529 -0.000 0.000 0.000 3/23328 100.0 4.170 4.170 3.116 -0.000 0.000 0.000 3/23328 110.0 3.733 3.733 2.789 -0.000 0.000 0.000 3/23328 120.0 3.380 3.380 2.524 -0.000 0.000 0.000 3/23328 130.0 3.089 3.089 2.307 -0.000 0.000 0.000 3/23328 140.0 2.846 2.846 2.125 -0.000 0.000 0.000 3/23328 150.0 2.640 2.640 1.971 -0.000 0.000 0.000 3/23328 160.0 2.462 2.462 1.838 -0.000 0.000 0.000 3/23328 170.0 2.309 2.309 1.724 -0.000 0.000 0.000 3/23328 180.0 2.174 2.174 1.623 -0.000 0.000 0.000 3/23328 190.0 2.055 2.055 1.535 -0.000 0.000 0.000 3/23328 200.0 1.949 1.949 1.456 -0.000 0.000 0.000 3/23328 210.0 1.854 1.854 1.385 -0.000 0.000 0.000 3/23328 220.0 1.768 1.768 1.322 -0.000 0.000 0.000 3/23328 230.0 1.691 1.691 1.264 -0.000 0.000 0.000 3/23328 240.0 1.620 1.620 1.212 -0.000 0.000 0.000 3/23328 250.0 1.555 1.555 1.164 -0.000 0.000 0.000 3/23328 260.0 1.496 1.496 1.120 -0.000 0.000 0.000 3/23328 270.0 1.441 1.441 1.079 -0.000 0.000 0.000 3/23328 280.0 1.390 1.390 1.041 -0.000 0.000 0.000 3/23328 290.0 1.343 1.343 1.006 -0.000 0.000 0.000 3/23328 300.0 1.299 1.299 0.974 -0.000 0.000 0.000 3/23328 310.0 1.258 1.258 0.943 -0.000 0.000 0.000 3/23328 320.0 1.220 1.220 0.915 -0.000 0.000 0.000 3/23328 330.0 1.184 1.184 0.888 -0.000 0.000 0.000 3/23328 340.0 1.150 1.150 0.863 -0.000 0.000 0.000 3/23328 350.0 1.118 1.118 0.839 -0.000 0.000 0.000 3/23328 360.0 1.088 1.088 0.817 -0.000 0.000 0.000 3/23328 370.0 1.059 1.059 0.795 -0.000 0.000 0.000 3/23328 380.0 1.032 1.032 0.775 -0.000 0.000 0.000 3/23328 390.0 1.006 1.006 0.756 -0.000 0.000 0.000 3/23328 400.0 0.982 0.982 0.738 -0.000 0.000 0.000 3/23328 410.0 0.959 0.959 0.721 -0.000 0.000 0.000 3/23328 420.0 0.937 0.937 0.704 -0.000 0.000 0.000 3/23328 430.0 0.916 0.916 0.688 -0.000 0.000 0.000 3/23328 440.0 0.896 0.896 0.673 -0.000 0.000 0.000 3/23328 450.0 0.877 0.877 0.659 -0.000 0.000 0.000 3/23328 460.0 0.858 0.858 0.645 -0.000 0.000 0.000 3/23328 470.0 0.841 0.841 0.632 -0.000 0.000 0.000 3/23328 480.0 0.824 0.824 0.619 -0.000 0.000 0.000 3/23328 490.0 0.807 0.807 0.607 -0.000 0.000 0.000 3/23328 500.0 0.792 0.792 0.595 -0.000 0.000 0.000 3/23328 510.0 0.777 0.777 0.584 -0.000 0.000 0.000 3/23328 520.0 0.762 0.762 0.573 -0.000 0.000 0.000 3/23328 530.0 0.749 0.749 0.563 -0.000 0.000 0.000 3/23328 540.0 0.735 0.735 0.553 -0.000 0.000 0.000 3/23328 550.0 0.722 0.722 0.543 -0.000 0.000 0.000 3/23328 560.0 0.710 0.710 0.534 -0.000 0.000 0.000 3/23328 570.0 0.698 0.698 0.525 -0.000 0.000 0.000 3/23328 580.0 0.686 0.686 0.516 -0.000 0.000 0.000 3/23328 590.0 0.675 0.675 0.508 -0.000 0.000 0.000 3/23328 600.0 0.664 0.664 0.499 -0.000 0.000 0.000 3/23328 610.0 0.654 0.654 0.492 -0.000 0.000 0.000 3/23328 620.0 0.643 0.643 0.484 -0.000 0.000 0.000 3/23328 630.0 0.634 0.634 0.476 -0.000 0.000 0.000 3/23328 640.0 0.624 0.624 0.469 -0.000 0.000 0.000 3/23328 650.0 0.615 0.615 0.462 -0.000 0.000 0.000 3/23328 660.0 0.606 0.606 0.455 -0.000 0.000 0.000 3/23328 670.0 0.597 0.597 0.449 -0.000 0.000 0.000 3/23328 680.0 0.589 0.589 0.442 -0.000 0.000 0.000 3/23328 690.0 0.580 0.580 0.436 -0.000 0.000 0.000 3/23328 700.0 0.572 0.572 0.430 -0.000 0.000 0.000 3/23328 710.0 0.564 0.564 0.424 -0.000 0.000 0.000 3/23328 720.0 0.557 0.557 0.419 -0.000 0.000 0.000 3/23328 730.0 0.550 0.550 0.413 -0.000 0.000 0.000 3/23328 740.0 0.542 0.542 0.408 -0.000 0.000 0.000 3/23328 750.0 0.535 0.535 0.402 -0.000 0.000 0.000 3/23328 760.0 0.529 0.529 0.397 -0.000 0.000 0.000 3/23328 770.0 0.522 0.522 0.392 -0.000 0.000 0.000 3/23328 780.0 0.515 0.515 0.387 -0.000 0.000 0.000 3/23328 790.0 0.509 0.509 0.382 -0.000 0.000 0.000 3/23328 800.0 0.503 0.503 0.378 -0.000 0.000 0.000 3/23328 810.0 0.497 0.497 0.373 -0.000 0.000 0.000 3/23328 820.0 0.491 0.491 0.369 -0.000 0.000 0.000 3/23328 830.0 0.485 0.485 0.365 -0.000 0.000 0.000 3/23328 840.0 0.480 0.480 0.360 -0.000 0.000 0.000 3/23328 850.0 0.474 0.474 0.356 -0.000 0.000 0.000 3/23328 860.0 0.469 0.469 0.352 -0.000 0.000 0.000 3/23328 870.0 0.464 0.464 0.348 -0.000 0.000 0.000 3/23328 880.0 0.458 0.458 0.344 -0.000 0.000 0.000 3/23328 890.0 0.453 0.453 0.341 -0.000 0.000 0.000 3/23328 900.0 0.449 0.449 0.337 -0.000 0.000 0.000 3/23328 910.0 0.444 0.444 0.333 -0.000 0.000 0.000 3/23328 920.0 0.439 0.439 0.330 -0.000 0.000 0.000 3/23328 930.0 0.434 0.434 0.326 -0.000 0.000 0.000 3/23328 940.0 0.430 0.430 0.323 -0.000 0.000 0.000 3/23328 950.0 0.426 0.426 0.319 -0.000 0.000 0.000 3/23328 960.0 0.421 0.421 0.316 -0.000 0.000 0.000 3/23328 970.0 0.417 0.417 0.313 -0.000 0.000 0.000 3/23328 980.0 0.413 0.413 0.310 -0.000 0.000 0.000 3/23328 990.0 0.409 0.409 0.307 -0.000 0.000 0.000 3/23328 1000.0 0.405 0.405 0.304 -0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m1972.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:18:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|