----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:41:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.176205635000001 4.176205635000001 1.915624545000000 b 4.176205635000001 -4.176205635000001 1.915624545000000 c 4.176205635000001 4.176205635000001 -1.915624545000000 Atomic positions (fractional): *1 Li 0.15002164782943 0.50000000000000 0.65002164782943 6.941 2 Li 0.84997835217057 0.50000000000000 0.34997835217057 6.941 3 Li 0.50000000000000 0.15002164782943 0.65002164782943 6.941 4 Li 0.50000000000000 0.84997835217057 0.34997835217057 6.941 *5 O 0.68974281783788 0.00000000000000 0.68974281783788 15.999 6 O 0.31025718216212 0.00000000000000 0.31025718216212 15.999 7 O 0.00000000000000 0.68974281783788 0.68974281783788 15.999 8 O 0.00000000000000 0.31025718216212 0.31025718216212 15.999 *9 Cu 0.15953692347366 0.15953692347366 0.31907384694732 63.546 10 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 11 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 12 Cu 0.84046307652634 0.84046307652634 0.68092615305268 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.352411270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.352411270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.831249090000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.15002164782943 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.84997835217057 0.00000000000000 6.941 > 2 3 Li 0.65002164782943 0.00000000000000 0.50000000000000 6.941 > 3 4 Li 0.34997835217057 0.00000000000000 0.50000000000000 6.941 > 4 5 Li 0.00000000000000 0.65002164782943 0.50000000000000 6.941 > 1 6 Li 0.00000000000000 0.34997835217057 0.50000000000000 6.941 > 2 7 Li 0.15002164782943 0.50000000000000 0.00000000000000 6.941 > 3 8 Li 0.84997835217057 0.50000000000000 0.00000000000000 6.941 > 4 *9 O 0.50000000000000 0.18974281783788 0.50000000000000 15.999 > 5 10 O 0.50000000000000 0.81025718216212 0.50000000000000 15.999 > 6 11 O 0.68974281783788 0.00000000000000 0.00000000000000 15.999 > 7 12 O 0.31025718216212 0.00000000000000 0.00000000000000 15.999 > 8 13 O 0.00000000000000 0.68974281783788 0.00000000000000 15.999 > 5 14 O 0.00000000000000 0.31025718216212 0.00000000000000 15.999 > 6 15 O 0.18974281783788 0.50000000000000 0.50000000000000 15.999 > 7 16 O 0.81025718216212 0.50000000000000 0.50000000000000 15.999 > 8 *17 Cu 0.15953692347366 0.15953692347366 0.00000000000000 63.546 > 9 18 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 > 10 19 Cu 0.34046307652634 0.65953692347366 0.50000000000000 63.546 > 11 20 Cu 0.34046307652634 0.34046307652634 0.50000000000000 63.546 > 12 21 Cu 0.65953692347366 0.65953692347366 0.50000000000000 63.546 > 9 22 Cu 0.65953692347366 0.34046307652634 0.50000000000000 63.546 > 10 23 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 > 11 24 Cu 0.84046307652634 0.84046307652634 0.00000000000000 63.546 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.352411270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.352411270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.493747270000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.15002164782943 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.15002164782943 0.33333333333333 6.941 > 1 3 Li 0.50000000000000 0.15002164782943 0.66666666666667 6.941 > 1 4 Li 0.50000000000000 0.84997835217057 0.00000000000000 6.941 > 2 5 Li 0.50000000000000 0.84997835217057 0.33333333333333 6.941 > 2 6 Li 0.50000000000000 0.84997835217057 0.66666666666667 6.941 > 2 7 Li 0.65002164782943 0.00000000000000 0.16666666666667 6.941 > 3 8 Li 0.65002164782943 0.00000000000000 0.50000000000000 6.941 > 3 9 Li 0.65002164782943 0.00000000000000 0.83333333333333 6.941 > 3 10 Li 0.34997835217057 0.00000000000000 0.16666666666667 6.941 > 4 11 Li 0.34997835217057 0.00000000000000 0.50000000000000 6.941 > 4 12 Li 0.34997835217057 0.00000000000000 0.83333333333333 6.941 > 4 13 Li 0.00000000000000 0.65002164782943 0.16666666666667 6.941 > 1 14 Li 0.00000000000000 0.65002164782943 0.50000000000000 6.941 > 1 15 Li 0.00000000000000 0.65002164782943 0.83333333333333 6.941 > 1 16 Li 0.00000000000000 0.34997835217057 0.16666666666667 6.941 > 2 17 Li 0.00000000000000 0.34997835217057 0.50000000000000 6.941 > 2 18 Li 0.00000000000000 0.34997835217057 0.83333333333333 6.941 > 2 19 Li 0.15002164782943 0.50000000000000 0.00000000000000 6.941 > 3 20 Li 0.15002164782943 0.50000000000000 0.33333333333333 6.941 > 3 21 Li 0.15002164782943 0.50000000000000 0.66666666666667 6.941 > 3 22 Li 0.84997835217057 0.50000000000000 0.00000000000000 6.941 > 4 23 Li 0.84997835217057 0.50000000000000 0.33333333333333 6.941 > 4 24 Li 0.84997835217057 0.50000000000000 0.66666666666667 6.941 > 4 *25 O 0.50000000000000 0.18974281783788 0.16666666666667 15.999 > 5 26 O 0.50000000000000 0.18974281783788 0.50000000000000 15.999 > 5 27 O 0.50000000000000 0.18974281783788 0.83333333333333 15.999 > 5 28 O 0.50000000000000 0.81025718216212 0.16666666666667 15.999 > 6 29 O 0.50000000000000 0.81025718216212 0.50000000000000 15.999 > 6 30 O 0.50000000000000 0.81025718216212 0.83333333333333 15.999 > 6 31 O 0.68974281783788 0.00000000000000 0.00000000000000 15.999 > 7 32 O 0.68974281783788 0.00000000000000 0.33333333333333 15.999 > 7 33 O 0.68974281783788 0.00000000000000 0.66666666666667 15.999 > 7 34 O 0.31025718216212 0.00000000000000 0.00000000000000 15.999 > 8 35 O 0.31025718216212 0.00000000000000 0.33333333333333 15.999 > 8 36 O 0.31025718216212 0.00000000000000 0.66666666666667 15.999 > 8 37 O 0.00000000000000 0.68974281783788 0.00000000000000 15.999 > 5 38 O 0.00000000000000 0.68974281783788 0.33333333333333 15.999 > 5 39 O 0.00000000000000 0.68974281783788 0.66666666666667 15.999 > 5 40 O 0.00000000000000 0.31025718216212 0.00000000000000 15.999 > 6 41 O 0.00000000000000 0.31025718216212 0.33333333333333 15.999 > 6 42 O 0.00000000000000 0.31025718216212 0.66666666666667 15.999 > 6 43 O 0.18974281783788 0.50000000000000 0.16666666666667 15.999 > 7 44 O 0.18974281783788 0.50000000000000 0.50000000000000 15.999 > 7 45 O 0.18974281783788 0.50000000000000 0.83333333333333 15.999 > 7 46 O 0.81025718216212 0.50000000000000 0.16666666666667 15.999 > 8 47 O 0.81025718216212 0.50000000000000 0.50000000000000 15.999 > 8 48 O 0.81025718216212 0.50000000000000 0.83333333333333 15.999 > 8 *49 Cu 0.15953692347366 0.15953692347366 0.00000000000000 63.546 > 9 50 Cu 0.15953692347366 0.15953692347366 0.33333333333333 63.546 > 9 51 Cu 0.15953692347366 0.15953692347366 0.66666666666667 63.546 > 9 52 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 > 10 53 Cu 0.15953692347366 0.84046307652634 0.33333333333333 63.546 > 10 54 Cu 0.15953692347366 0.84046307652634 0.66666666666667 63.546 > 10 55 Cu 0.34046307652634 0.65953692347366 0.16666666666667 63.546 > 11 56 Cu 0.34046307652634 0.65953692347366 0.50000000000000 63.546 > 11 57 Cu 0.34046307652634 0.65953692347366 0.83333333333333 63.546 > 11 58 Cu 0.34046307652634 0.34046307652634 0.16666666666667 63.546 > 12 59 Cu 0.34046307652634 0.34046307652634 0.50000000000000 63.546 > 12 60 Cu 0.34046307652634 0.34046307652634 0.83333333333333 63.546 > 12 61 Cu 0.65953692347366 0.65953692347366 0.16666666666667 63.546 > 9 62 Cu 0.65953692347366 0.65953692347366 0.50000000000000 63.546 > 9 63 Cu 0.65953692347366 0.65953692347366 0.83333333333333 63.546 > 9 64 Cu 0.65953692347366 0.34046307652634 0.16666666666667 63.546 > 10 65 Cu 0.65953692347366 0.34046307652634 0.50000000000000 63.546 > 10 66 Cu 0.65953692347366 0.34046307652634 0.83333333333333 63.546 > 10 67 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 > 11 68 Cu 0.84046307652634 0.15953692347366 0.33333333333333 63.546 > 11 69 Cu 0.84046307652634 0.15953692347366 0.66666666666667 63.546 > 11 70 Cu 0.84046307652634 0.84046307652634 0.00000000000000 63.546 > 12 71 Cu 0.84046307652634 0.84046307652634 0.33333333333333 63.546 > 12 72 Cu 0.84046307652634 0.84046307652634 0.66666666666667 63.546 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2785209 0.0000000 0.0000000 0.0000000 6.2785209 0.0000000 0.0000000 0.0000000 5.2190612 -------------------------- Born effective charges -------------------------- 1 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 2 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 3 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 4 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 5 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 6 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 7 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 8 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 9 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 10 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 11 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 12 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 4626/4626 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 316 Number of blocks in projector: 316 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: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (316, 307), data: False |-- (64, 61), data: True |-- (68, 67), data: True |-- (72, 72), data: True |-- (112, 107), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 160 - Time: 0.195 Solver_block: 160 / 160 - Time: 0.132 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.337 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 4626/4626 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 316 Number of blocks in projector: 316 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: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (316, 307), data: False |-- (64, 61), data: True |-- (68, 67), data: True |-- (72, 72), data: True |-- (112, 107), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:41:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:41:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.176205635000001 4.176205635000001 1.915624545000000 b 4.176205635000001 -4.176205635000001 1.915624545000000 c 4.176205635000001 4.176205635000001 -1.915624545000000 Atomic positions (fractional): 1 Li 0.15002164782943 0.50000000000000 0.65002164782943 6.941 2 Li 0.84997835217057 0.50000000000000 0.34997835217057 6.941 3 Li 0.50000000000000 0.15002164782943 0.65002164782943 6.941 4 Li 0.50000000000000 0.84997835217057 0.34997835217057 6.941 5 O 0.68974281783788 0.00000000000000 0.68974281783788 15.999 6 O 0.31025718216212 0.00000000000000 0.31025718216212 15.999 7 O 0.00000000000000 0.68974281783788 0.68974281783788 15.999 8 O 0.00000000000000 0.31025718216212 0.31025718216212 15.999 9 Cu 0.15953692347366 0.15953692347366 0.31907384694732 63.546 10 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 11 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 12 Cu 0.84046307652634 0.84046307652634 0.68092615305268 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.352411270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.352411270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.493747270000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.15002164782943 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.15002164782943 0.33333333333333 6.941 > 1 3 Li 0.50000000000000 0.15002164782943 0.66666666666667 6.941 > 1 4 Li 0.50000000000000 0.84997835217057 0.00000000000000 6.941 > 4 5 Li 0.50000000000000 0.84997835217057 0.33333333333333 6.941 > 4 6 Li 0.50000000000000 0.84997835217057 0.66666666666667 6.941 > 4 7 Li 0.65002164782943 0.00000000000000 0.16666666666667 6.941 > 7 8 Li 0.65002164782943 0.00000000000000 0.50000000000000 6.941 > 7 9 Li 0.65002164782943 0.00000000000000 0.83333333333333 6.941 > 7 10 Li 0.34997835217057 0.00000000000000 0.16666666666667 6.941 > 10 11 Li 0.34997835217057 0.00000000000000 0.50000000000000 6.941 > 10 12 Li 0.34997835217057 0.00000000000000 0.83333333333333 6.941 > 10 13 Li 0.00000000000000 0.65002164782943 0.16666666666667 6.941 > 1 14 Li 0.00000000000000 0.65002164782943 0.50000000000000 6.941 > 1 15 Li 0.00000000000000 0.65002164782943 0.83333333333333 6.941 > 1 16 Li 0.00000000000000 0.34997835217057 0.16666666666667 6.941 > 4 17 Li 0.00000000000000 0.34997835217057 0.50000000000000 6.941 > 4 18 Li 0.00000000000000 0.34997835217057 0.83333333333333 6.941 > 4 19 Li 0.15002164782943 0.50000000000000 0.00000000000000 6.941 > 7 20 Li 0.15002164782943 0.50000000000000 0.33333333333333 6.941 > 7 21 Li 0.15002164782943 0.50000000000000 0.66666666666667 6.941 > 7 22 Li 0.84997835217057 0.50000000000000 0.00000000000000 6.941 > 10 23 Li 0.84997835217057 0.50000000000000 0.33333333333333 6.941 > 10 24 Li 0.84997835217057 0.50000000000000 0.66666666666667 6.941 > 10 25 O 0.50000000000000 0.18974281783788 0.16666666666667 15.999 > 25 26 O 0.50000000000000 0.18974281783788 0.50000000000000 15.999 > 25 27 O 0.50000000000000 0.18974281783788 0.83333333333333 15.999 > 25 28 O 0.50000000000000 0.81025718216212 0.16666666666667 15.999 > 28 29 O 0.50000000000000 0.81025718216212 0.50000000000000 15.999 > 28 30 O 0.50000000000000 0.81025718216212 0.83333333333333 15.999 > 28 31 O 0.68974281783788 0.00000000000000 0.00000000000000 15.999 > 31 32 O 0.68974281783788 0.00000000000000 0.33333333333333 15.999 > 31 33 O 0.68974281783788 0.00000000000000 0.66666666666667 15.999 > 31 34 O 0.31025718216212 0.00000000000000 0.00000000000000 15.999 > 34 35 O 0.31025718216212 0.00000000000000 0.33333333333333 15.999 > 34 36 O 0.31025718216212 0.00000000000000 0.66666666666667 15.999 > 34 37 O 0.00000000000000 0.68974281783788 0.00000000000000 15.999 > 25 38 O 0.00000000000000 0.68974281783788 0.33333333333333 15.999 > 25 39 O 0.00000000000000 0.68974281783788 0.66666666666667 15.999 > 25 40 O 0.00000000000000 0.31025718216212 0.00000000000000 15.999 > 28 41 O 0.00000000000000 0.31025718216212 0.33333333333333 15.999 > 28 42 O 0.00000000000000 0.31025718216212 0.66666666666667 15.999 > 28 43 O 0.18974281783788 0.50000000000000 0.16666666666667 15.999 > 31 44 O 0.18974281783788 0.50000000000000 0.50000000000000 15.999 > 31 45 O 0.18974281783788 0.50000000000000 0.83333333333333 15.999 > 31 46 O 0.81025718216212 0.50000000000000 0.16666666666667 15.999 > 34 47 O 0.81025718216212 0.50000000000000 0.50000000000000 15.999 > 34 48 O 0.81025718216212 0.50000000000000 0.83333333333333 15.999 > 34 49 Cu 0.15953692347366 0.15953692347366 0.00000000000000 63.546 > 49 50 Cu 0.15953692347366 0.15953692347366 0.33333333333333 63.546 > 49 51 Cu 0.15953692347366 0.15953692347366 0.66666666666667 63.546 > 49 52 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 > 52 53 Cu 0.15953692347366 0.84046307652634 0.33333333333333 63.546 > 52 54 Cu 0.15953692347366 0.84046307652634 0.66666666666667 63.546 > 52 55 Cu 0.34046307652634 0.65953692347366 0.16666666666667 63.546 > 55 56 Cu 0.34046307652634 0.65953692347366 0.50000000000000 63.546 > 55 57 Cu 0.34046307652634 0.65953692347366 0.83333333333333 63.546 > 55 58 Cu 0.34046307652634 0.34046307652634 0.16666666666667 63.546 > 58 59 Cu 0.34046307652634 0.34046307652634 0.50000000000000 63.546 > 58 60 Cu 0.34046307652634 0.34046307652634 0.83333333333333 63.546 > 58 61 Cu 0.65953692347366 0.65953692347366 0.16666666666667 63.546 > 49 62 Cu 0.65953692347366 0.65953692347366 0.50000000000000 63.546 > 49 63 Cu 0.65953692347366 0.65953692347366 0.83333333333333 63.546 > 49 64 Cu 0.65953692347366 0.34046307652634 0.16666666666667 63.546 > 52 65 Cu 0.65953692347366 0.34046307652634 0.50000000000000 63.546 > 52 66 Cu 0.65953692347366 0.34046307652634 0.83333333333333 63.546 > 52 67 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 > 55 68 Cu 0.84046307652634 0.15953692347366 0.33333333333333 63.546 > 55 69 Cu 0.84046307652634 0.15953692347366 0.66666666666667 63.546 > 55 70 Cu 0.84046307652634 0.84046307652634 0.00000000000000 63.546 > 58 71 Cu 0.84046307652634 0.84046307652634 0.33333333333333 63.546 > 58 72 Cu 0.84046307652634 0.84046307652634 0.66666666666667 63.546 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2785209 0.0000000 0.0000000 0.0000000 6.2785209 0.0000000 0.0000000 0.0000000 5.2190612 -------------------------- Born effective charges -------------------------- 1 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 2 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 3 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 4 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 5 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 6 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 7 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 8 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 9 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 10 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 11 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 12 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 2026-01-07 20:41:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mmm (139) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.176205635000001 4.176205635000001 1.915624545000000 b 4.176205635000001 -4.176205635000001 1.915624545000000 c 4.176205635000001 4.176205635000001 -1.915624545000000 Atomic positions (fractional): 1 Li 0.15002164782943 0.50000000000000 0.65002164782943 6.941 2 Li 0.84997835217057 0.50000000000000 0.34997835217057 6.941 3 Li 0.50000000000000 0.15002164782943 0.65002164782943 6.941 4 Li 0.50000000000000 0.84997835217057 0.34997835217057 6.941 5 O 0.68974281783788 0.00000000000000 0.68974281783788 15.999 6 O 0.31025718216212 0.00000000000000 0.31025718216212 15.999 7 O 0.00000000000000 0.68974281783788 0.68974281783788 15.999 8 O 0.00000000000000 0.31025718216212 0.31025718216212 15.999 9 Cu 0.15953692347366 0.15953692347366 0.31907384694732 63.546 10 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 11 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 12 Cu 0.84046307652634 0.84046307652634 0.68092615305268 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.352411270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.352411270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.493747270000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.15002164782943 0.00000000000000 6.941 > 1 2 Li 0.50000000000000 0.15002164782943 0.33333333333333 6.941 > 1 3 Li 0.50000000000000 0.15002164782943 0.66666666666667 6.941 > 1 4 Li 0.50000000000000 0.84997835217057 0.00000000000000 6.941 > 4 5 Li 0.50000000000000 0.84997835217057 0.33333333333333 6.941 > 4 6 Li 0.50000000000000 0.84997835217057 0.66666666666667 6.941 > 4 7 Li 0.65002164782943 0.00000000000000 0.16666666666667 6.941 > 7 8 Li 0.65002164782943 0.00000000000000 0.50000000000000 6.941 > 7 9 Li 0.65002164782943 0.00000000000000 0.83333333333333 6.941 > 7 10 Li 0.34997835217057 0.00000000000000 0.16666666666667 6.941 > 10 11 Li 0.34997835217057 0.00000000000000 0.50000000000000 6.941 > 10 12 Li 0.34997835217057 0.00000000000000 0.83333333333333 6.941 > 10 13 Li 0.00000000000000 0.65002164782943 0.16666666666667 6.941 > 1 14 Li 0.00000000000000 0.65002164782943 0.50000000000000 6.941 > 1 15 Li 0.00000000000000 0.65002164782943 0.83333333333333 6.941 > 1 16 Li 0.00000000000000 0.34997835217057 0.16666666666667 6.941 > 4 17 Li 0.00000000000000 0.34997835217057 0.50000000000000 6.941 > 4 18 Li 0.00000000000000 0.34997835217057 0.83333333333333 6.941 > 4 19 Li 0.15002164782943 0.50000000000000 0.00000000000000 6.941 > 7 20 Li 0.15002164782943 0.50000000000000 0.33333333333333 6.941 > 7 21 Li 0.15002164782943 0.50000000000000 0.66666666666667 6.941 > 7 22 Li 0.84997835217057 0.50000000000000 0.00000000000000 6.941 > 10 23 Li 0.84997835217057 0.50000000000000 0.33333333333333 6.941 > 10 24 Li 0.84997835217057 0.50000000000000 0.66666666666667 6.941 > 10 25 O 0.50000000000000 0.18974281783788 0.16666666666667 15.999 > 25 26 O 0.50000000000000 0.18974281783788 0.50000000000000 15.999 > 25 27 O 0.50000000000000 0.18974281783788 0.83333333333333 15.999 > 25 28 O 0.50000000000000 0.81025718216212 0.16666666666667 15.999 > 28 29 O 0.50000000000000 0.81025718216212 0.50000000000000 15.999 > 28 30 O 0.50000000000000 0.81025718216212 0.83333333333333 15.999 > 28 31 O 0.68974281783788 0.00000000000000 0.00000000000000 15.999 > 31 32 O 0.68974281783788 0.00000000000000 0.33333333333333 15.999 > 31 33 O 0.68974281783788 0.00000000000000 0.66666666666667 15.999 > 31 34 O 0.31025718216212 0.00000000000000 0.00000000000000 15.999 > 34 35 O 0.31025718216212 0.00000000000000 0.33333333333333 15.999 > 34 36 O 0.31025718216212 0.00000000000000 0.66666666666667 15.999 > 34 37 O 0.00000000000000 0.68974281783788 0.00000000000000 15.999 > 25 38 O 0.00000000000000 0.68974281783788 0.33333333333333 15.999 > 25 39 O 0.00000000000000 0.68974281783788 0.66666666666667 15.999 > 25 40 O 0.00000000000000 0.31025718216212 0.00000000000000 15.999 > 28 41 O 0.00000000000000 0.31025718216212 0.33333333333333 15.999 > 28 42 O 0.00000000000000 0.31025718216212 0.66666666666667 15.999 > 28 43 O 0.18974281783788 0.50000000000000 0.16666666666667 15.999 > 31 44 O 0.18974281783788 0.50000000000000 0.50000000000000 15.999 > 31 45 O 0.18974281783788 0.50000000000000 0.83333333333333 15.999 > 31 46 O 0.81025718216212 0.50000000000000 0.16666666666667 15.999 > 34 47 O 0.81025718216212 0.50000000000000 0.50000000000000 15.999 > 34 48 O 0.81025718216212 0.50000000000000 0.83333333333333 15.999 > 34 49 Cu 0.15953692347366 0.15953692347366 0.00000000000000 63.546 > 49 50 Cu 0.15953692347366 0.15953692347366 0.33333333333333 63.546 > 49 51 Cu 0.15953692347366 0.15953692347366 0.66666666666667 63.546 > 49 52 Cu 0.15953692347366 0.84046307652634 0.00000000000000 63.546 > 52 53 Cu 0.15953692347366 0.84046307652634 0.33333333333333 63.546 > 52 54 Cu 0.15953692347366 0.84046307652634 0.66666666666667 63.546 > 52 55 Cu 0.34046307652634 0.65953692347366 0.16666666666667 63.546 > 55 56 Cu 0.34046307652634 0.65953692347366 0.50000000000000 63.546 > 55 57 Cu 0.34046307652634 0.65953692347366 0.83333333333333 63.546 > 55 58 Cu 0.34046307652634 0.34046307652634 0.16666666666667 63.546 > 58 59 Cu 0.34046307652634 0.34046307652634 0.50000000000000 63.546 > 58 60 Cu 0.34046307652634 0.34046307652634 0.83333333333333 63.546 > 58 61 Cu 0.65953692347366 0.65953692347366 0.16666666666667 63.546 > 49 62 Cu 0.65953692347366 0.65953692347366 0.50000000000000 63.546 > 49 63 Cu 0.65953692347366 0.65953692347366 0.83333333333333 63.546 > 49 64 Cu 0.65953692347366 0.34046307652634 0.16666666666667 63.546 > 52 65 Cu 0.65953692347366 0.34046307652634 0.50000000000000 63.546 > 52 66 Cu 0.65953692347366 0.34046307652634 0.83333333333333 63.546 > 52 67 Cu 0.84046307652634 0.15953692347366 0.00000000000000 63.546 > 55 68 Cu 0.84046307652634 0.15953692347366 0.33333333333333 63.546 > 55 69 Cu 0.84046307652634 0.15953692347366 0.66666666666667 63.546 > 55 70 Cu 0.84046307652634 0.84046307652634 0.00000000000000 63.546 > 58 71 Cu 0.84046307652634 0.84046307652634 0.33333333333333 63.546 > 58 72 Cu 0.84046307652634 0.84046307652634 0.66666666666667 63.546 > 58 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2785209 0.0000000 0.0000000 0.0000000 6.2785209 0.0000000 0.0000000 0.0000000 5.2190612 -------------------------- Born effective charges -------------------------- 1 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 2 Li 1.2883698 0.0000000 0.0000000 0.0000000 0.8577337 0.0000000 0.0000000 0.0000000 1.1361229 3 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 4 Li 0.8577337 0.0000000 0.0000000 0.0000000 1.2883698 0.0000000 0.0000000 0.0000000 1.1361229 5 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 6 O -2.3121310 0.0000000 0.0000000 0.0000000 -1.5907923 0.0000000 0.0000000 0.0000000 -1.1031091 7 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 8 O -1.5907923 0.0000000 0.0000000 0.0000000 -2.3121310 0.0000000 0.0000000 0.0000000 -1.1031091 9 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 10 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 11 Cu 0.8784099 0.6663573 0.0000000 0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 12 Cu 0.8784099 -0.6663573 0.0000000 -0.6663573 0.8784099 0.0000000 0.0000000 0.0000000 -0.0330138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 6 156 ] Grid generation matrix: [ 0 6 6 ] [ 6 0 6 ] [ 13 13 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: 0.81, Number of G-points: 303, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 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 2.847 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 7.929 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 9.688 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 10.989 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 13.799 ( 0.000 0.000 0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 17.168 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.847 ( 0.000 0.000 0.000) 0.000 17.847 ( 0.000 0.000 0.000) 0.000 17.964 ( 0.000 0.000 0.000) 0.000 18.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 17.418 17.418 0.000) 24.633 0.669 ( 16.340 16.340 0.000) 23.109 1.736 ( 38.407 38.407 0.000) 54.315 2.862 ( 0.733 0.733 0.000) 1.037 2.880 ( -1.757 -1.757 0.000) 2.485 2.997 ( 3.916 3.916 0.000) 5.538 3.453 ( -8.320 -8.320 0.000) 11.766 3.697 ( -0.903 -0.903 0.000) 1.277 4.105 ( -0.501 -0.501 0.000) 0.709 4.276 ( 7.901 7.901 0.000) 11.174 4.827 ( 6.669 6.669 0.000) 9.431 4.969 ( 8.399 8.399 0.000) 11.878 6.584 ( -12.394 -12.394 0.000) 17.527 7.668 ( -11.024 -11.024 0.000) 15.590 8.161 ( 8.458 8.458 0.000) 11.961 8.294 ( -1.222 -1.222 0.000) 1.728 9.625 ( 6.861 6.861 0.000) 9.703 9.656 ( -1.360 -1.360 0.000) 1.924 9.871 ( -2.572 -2.572 0.000) 3.637 10.993 ( 0.215 0.215 0.000) 0.304 11.128 ( 0.756 0.756 0.000) 1.069 11.664 ( -10.582 -10.582 0.000) 14.965 11.775 ( 0.636 0.636 0.000) 0.900 13.794 ( -0.386 -0.386 0.000) 0.546 15.908 ( -15.671 -15.671 0.000) 22.162 16.036 ( -1.503 -1.503 0.000) 2.126 16.427 ( 2.150 2.150 0.000) 3.040 16.656 ( -1.003 -1.003 0.000) 1.418 16.710 ( 1.358 1.358 0.000) 1.920 17.212 ( 5.221 5.221 0.000) 7.383 17.379 ( 4.611 4.611 0.000) 6.521 17.789 ( 5.102 5.102 0.000) 7.216 17.865 ( 5.980 5.980 0.000) 8.458 17.978 ( 0.641 0.641 0.000) 0.906 18.329 ( -7.656 -7.656 0.000) 10.828 19.734 ( 5.312 5.312 0.000) 7.513 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 12.916 12.916 0.000) 18.266 1.387 ( 18.576 18.576 0.000) 26.271 2.765 ( -3.848 -3.848 0.000) 5.441 2.837 ( 14.323 14.323 0.000) 20.256 2.893 ( -17.079 -17.079 0.000) 24.154 2.904 ( 2.200 2.200 0.000) 3.111 3.178 ( 4.360 4.360 0.000) 6.166 3.652 ( -1.139 -1.139 0.000) 1.610 4.131 ( 1.758 1.758 0.000) 2.486 4.809 ( 14.057 14.057 0.000) 19.880 5.229 ( 4.067 4.067 0.000) 5.751 5.260 ( 14.125 14.125 0.000) 19.975 6.121 ( -9.255 -9.255 0.000) 13.089 7.222 ( -9.549 -9.549 0.000) 13.504 8.231 ( -1.665 -1.665 0.000) 2.355 8.451 ( 5.322 5.322 0.000) 7.527 9.601 ( -1.155 -1.155 0.000) 1.633 9.672 ( -7.284 -7.284 0.000) 10.301 9.878 ( 4.897 4.897 0.000) 6.925 11.005 ( 0.333 0.333 0.000) 0.471 11.090 ( -4.549 -4.549 0.000) 6.433 11.296 ( -3.742 -3.742 0.000) 5.293 11.780 ( -0.473 -0.473 0.000) 0.669 13.768 ( -0.735 -0.735 0.000) 1.039 15.376 ( -9.714 -9.714 0.000) 13.737 15.975 ( -1.289 -1.289 0.000) 1.822 16.590 ( 5.439 5.439 0.000) 7.691 16.613 ( -0.966 -0.966 0.000) 1.366 16.765 ( 1.144 1.144 0.000) 1.618 17.379 ( 1.970 1.970 0.000) 2.786 17.530 ( 3.513 3.513 0.000) 4.969 17.764 ( -1.947 -1.947 0.000) 2.753 18.005 ( 0.602 0.602 0.000) 0.851 18.016 ( -6.526 -6.526 0.000) 9.229 18.280 ( 8.595 8.595 0.000) 12.155 19.936 ( 4.051 4.051 0.000) 5.730 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.108 ( -0.000 -0.000 0.000) 0.000 3.277 ( -0.000 -0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.638 ( -0.000 -0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 13.751 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.947 ( 0.000 0.000 0.000) 0.000 16.592 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.789 ( 0.000 0.000 0.000) 0.000 17.380 ( 0.000 0.000 0.000) 0.000 17.661 ( -0.000 -0.000 0.000) 0.000 17.665 ( 0.000 0.000 0.000) 0.000 17.889 ( 0.000 0.000 0.000) 0.000 18.018 ( 0.000 0.000 0.000) 0.000 18.458 ( 0.000 0.000 0.000) 0.000 20.021 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/112) ======================= q-point: ( 0.16 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.000 21.630 18.021) 28.154 1.207 ( -0.000 19.221 18.093) 26.397 2.001 ( -0.000 20.434 27.799) 34.501 2.821 ( 0.000 -0.441 -1.663) 1.720 2.913 ( -0.000 0.813 -1.366) 1.590 2.914 ( -0.000 1.153 -0.870) 1.445 3.620 ( 0.000 -0.958 -3.845) 3.963 3.732 ( -0.000 4.523 7.273) 8.564 4.112 ( 0.000 -2.615 1.086) 2.832 4.315 ( 0.000 -5.641 5.532) 7.901 4.842 ( -0.000 4.922 4.296) 6.533 4.983 ( -0.000 14.263 4.526) 14.964 7.325 ( 0.000 -18.698 30.643) 35.897 8.251 ( -0.000 -0.889 14.159) 14.187 8.314 ( -0.000 3.284 16.366) 16.692 8.470 ( -0.000 -1.016 8.046) 8.110 9.581 ( -0.000 6.364 1.310) 6.497 9.712 ( 0.000 -1.855 2.837) 3.390 9.780 ( -0.000 2.957 0.808) 3.066 10.878 ( 0.000 -1.166 -4.418) 4.569 10.959 ( 0.000 1.092 -7.761) 7.837 11.026 ( -0.000 9.642 -10.755) 14.444 12.023 ( -0.000 3.347 10.465) 10.987 13.413 ( 0.000 -5.564 -15.102) 16.095 16.132 ( 0.000 -10.459 -1.566) 10.576 16.219 ( 0.000 -2.323 -3.356) 4.081 16.577 ( 0.000 -6.664 -4.480) 8.030 16.595 ( 0.000 -7.438 -1.505) 7.589 16.942 ( 0.000 -3.881 -2.763) 4.764 17.175 ( 0.000 -27.493 14.532) 31.097 17.438 ( -0.000 15.625 2.510) 15.825 17.515 ( -0.000 3.532 -9.255) 9.906 17.893 ( 0.000 -3.149 -11.990) 12.397 17.974 ( -0.000 8.332 0.930) 8.384 18.034 ( -0.000 6.685 0.810) 6.734 19.144 ( -0.000 29.182 -5.867) 29.766 ======================= Grid point 8 (6/112) ======================= q-point: ( 0.16 -0.01 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 2.034 21.862 14.929) 26.551 1.815 ( 7.689 19.523 15.442) 26.052 2.642 ( 10.053 20.616 8.549) 24.477 2.801 ( -0.436 -0.963 -1.957) 2.224 2.920 ( -0.350 0.546 0.643) 0.913 2.998 ( 2.917 3.608 -3.342) 5.718 3.499 ( -22.177 -3.307 8.111) 23.845 3.583 ( -0.947 -1.802 -3.921) 4.418 4.124 ( 1.841 1.354 1.289) 2.624 4.520 ( 15.658 8.685 2.306) 18.054 5.076 ( 8.596 9.045 3.723) 13.022 5.282 ( 0.841 12.259 3.709) 12.835 6.868 ( 0.295 -21.815 32.708) 39.317 7.937 ( -16.358 -1.384 18.098) 24.434 8.429 ( -0.816 -1.907 8.368) 8.621 8.580 ( 10.722 -0.799 13.127) 16.968 9.610 ( -2.476 -0.359 0.214) 2.511 9.746 ( 2.489 -2.012 1.200) 3.418 9.837 ( -0.791 5.340 2.470) 5.937 10.881 ( 2.133 -1.502 -4.389) 5.106 10.976 ( 0.030 -0.123 -7.531) 7.532 11.104 ( -3.331 -0.317 -10.990) 11.488 12.120 ( 0.480 4.657 12.834) 13.661 13.306 ( -1.065 -1.961 -17.349) 17.492 15.686 ( -12.860 -11.084 3.008) 17.242 16.293 ( 5.708 -4.750 -1.129) 7.511 16.418 ( -2.519 -5.801 -9.774) 11.641 16.470 ( 5.045 -5.811 1.545) 7.849 16.586 ( -7.221 -2.966 4.272) 8.899 17.155 ( 16.950 -13.530 1.768) 21.759 17.480 ( 0.275 -1.830 -5.619) 5.916 17.805 ( 1.458 7.384 -4.177) 8.608 17.856 ( -0.149 1.123 -9.117) 9.188 18.037 ( -12.056 14.981 0.593) 19.239 18.233 ( 0.954 11.506 1.434) 11.634 19.691 ( 7.363 12.574 -5.853) 15.703 ======================= Grid point 9 (7/112) ======================= q-point: ( 0.16 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 10.074 15.372 13.299) 22.686 2.316 ( 2.541 18.733 14.371) 23.747 2.656 ( -4.938 -4.985 -0.276) 7.022 2.880 ( -19.318 -3.087 7.224) 20.854 2.908 ( 0.230 -0.452 0.291) 0.585 3.095 ( -3.973 9.389 1.144) 10.259 3.144 ( -0.293 2.747 -3.754) 4.661 3.516 ( -1.484 -1.625 -4.915) 5.385 4.199 ( 0.969 1.866 1.082) 2.365 4.953 ( 7.793 5.651 -3.519) 10.250 5.366 ( 1.835 3.650 3.508) 5.385 5.517 ( 2.688 7.518 0.525) 8.001 6.615 ( 10.460 -13.558 36.805) 40.594 7.679 ( -12.014 5.354 21.935) 25.576 8.377 ( -0.422 -1.443 8.765) 8.893 8.634 ( 3.820 -6.342 5.835) 9.426 9.561 ( -0.381 -1.071 0.052) 1.138 9.699 ( 2.073 -4.575 9.035) 10.337 9.918 ( -2.841 5.027 -0.601) 5.805 10.878 ( 0.391 -2.666 -3.406) 4.343 10.910 ( -0.747 -1.572 -4.609) 4.927 11.058 ( -0.206 0.276 -9.341) 9.347 12.195 ( -0.970 2.983 15.859) 16.167 13.286 ( -0.420 0.462 -18.917) 18.927 15.335 ( -6.186 -3.327 4.587) 8.389 16.227 ( 2.138 -4.857 6.272) 8.216 16.318 ( 0.132 -2.299 -15.550) 15.720 16.482 ( -3.146 1.323 -3.792) 5.101 16.604 ( 10.726 -3.094 0.277) 11.167 17.099 ( 10.818 -17.112 -3.524) 20.550 17.490 ( 10.288 -8.497 -2.186) 13.521 17.860 ( -1.164 2.054 -6.574) 6.985 17.865 ( -11.085 10.267 -1.582) 15.192 18.128 ( -11.799 15.159 0.549) 19.218 18.448 ( -0.535 7.116 -0.819) 7.183 19.940 ( 2.249 3.625 -3.550) 5.550 ======================= Grid point 13 (8/112) ======================= q-point: ( 0.32 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -0.000 8.621 9.470) 12.807 2.164 ( -0.000 12.259 10.802) 16.339 2.677 ( 0.000 -1.973 -3.582) 4.090 2.794 ( -0.000 4.351 -2.482) 5.010 2.875 ( -0.000 5.585 1.559) 5.799 2.922 ( -0.000 4.342 -0.958) 4.446 3.425 ( 0.000 -1.752 -3.718) 4.110 4.090 ( -0.000 2.796 5.637) 6.292 4.171 ( -0.000 1.109 2.000) 2.287 4.548 ( -0.000 0.681 8.143) 8.172 5.172 ( -0.000 6.633 4.995) 8.303 5.449 ( -0.000 10.456 4.444) 11.361 8.366 ( 0.000 -16.425 30.479) 34.623 8.731 ( 0.000 -3.418 8.850) 9.487 8.905 ( -0.000 -1.532 14.650) 14.730 9.248 ( -0.000 -3.265 28.362) 28.549 9.732 ( -0.000 0.920 6.383) 6.449 9.865 ( -0.000 0.031 3.436) 3.436 10.022 ( -0.000 4.699 3.570) 5.901 10.507 ( 0.000 0.665 -13.855) 13.871 10.780 ( -0.000 -0.319 2.162) 2.186 10.873 ( -0.000 2.000 1.492) 2.495 12.490 ( -0.000 7.020 0.967) 7.086 12.535 ( 0.000 -2.506 -19.709) 19.868 15.925 ( 0.000 -9.974 -0.555) 9.990 16.078 ( 0.000 -4.913 -1.132) 5.042 16.202 ( 0.000 -6.080 -2.857) 6.717 16.343 ( 0.000 -0.770 -3.809) 3.886 16.738 ( 0.000 -0.818 -5.810) 5.867 17.013 ( 0.000 -0.691 -11.845) 11.865 17.131 ( 0.000 -21.735 5.836) 22.505 17.383 ( -0.000 3.463 -11.279) 11.799 17.783 ( -0.000 10.987 0.390) 10.994 18.179 ( -0.000 8.041 0.492) 8.056 18.420 ( -0.000 4.069 8.750) 9.650 19.301 ( -0.000 17.308 -9.405) 19.699 ======================= Grid point 14 (9/112) ======================= q-point: ( 0.32 -0.01 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 4.447 8.281 4.023) 10.224 2.480 ( 5.875 11.837 3.358) 13.634 2.662 ( 1.742 -1.395 -2.280) 3.190 2.851 ( 1.229 0.072 -3.255) 3.480 2.951 ( -1.198 1.644 -0.976) 2.256 2.997 ( -0.208 3.270 -0.448) 3.307 3.367 ( -2.612 -1.626 -3.858) 4.934 3.926 ( -19.444 6.409 8.863) 22.309 4.220 ( 0.925 1.830 0.978) 2.272 4.724 ( 3.899 6.119 -0.219) 7.259 5.397 ( 6.780 6.657 3.186) 10.022 5.603 ( -0.802 5.060 2.442) 5.676 8.136 ( 7.015 -11.563 37.189) 39.572 8.649 ( -0.038 -1.940 10.663) 10.838 8.870 ( -0.063 -1.653 15.055) 15.145 9.083 ( -5.239 -8.506 22.861) 24.949 9.719 ( -3.131 2.053 7.473) 8.358 9.902 ( 2.561 -0.284 3.994) 4.753 10.078 ( -2.087 2.955 2.415) 4.349 10.527 ( 0.817 0.281 -13.615) 13.643 10.735 ( -2.607 0.140 -2.155) 3.385 10.953 ( 4.675 -0.723 7.937) 9.240 12.480 ( -0.867 -0.265 -20.467) 20.488 12.653 ( -0.982 7.532 2.002) 7.855 15.676 ( -3.906 -7.398 3.189) 8.953 15.992 ( -0.300 -6.240 -1.928) 6.538 16.030 ( -0.110 -6.129 -2.760) 6.722 16.402 ( 2.872 3.797 -0.787) 4.825 16.666 ( -1.983 -4.087 0.894) 4.630 16.804 ( 5.873 -16.787 -1.781) 17.873 17.043 ( 6.979 -4.069 -8.486) 11.717 17.488 ( 0.008 5.249 -10.418) 11.666 17.959 ( -2.874 7.754 -1.844) 8.473 18.305 ( -4.567 11.627 -1.652) 12.601 18.489 ( -3.285 4.569 3.278) 6.513 19.615 ( 2.836 8.920 -9.874) 13.606 ======================= Grid point 15 (10/112) ======================= q-point: ( 0.32 -0.01 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -0.103 0.103 -2.387) 2.391 2.665 ( 1.448 -1.448 3.460) 4.021 2.740 ( -1.735 1.735 0.504) 2.505 2.816 ( 1.942 -1.942 -3.107) 4.147 2.959 ( 1.042 -1.042 -0.732) 1.645 3.008 ( -1.328 1.328 -2.509) 3.134 3.311 ( -2.573 2.573 -3.737) 5.216 3.764 ( -17.598 17.598 10.906) 27.172 4.253 ( -0.266 0.266 0.434) 0.574 4.822 ( -2.094 2.094 -5.269) 6.044 5.575 ( -0.932 0.932 2.708) 3.012 5.621 ( -0.104 0.104 1.092) 1.102 8.131 ( 8.908 -8.908 38.153) 40.179 8.699 ( 4.732 -4.732 5.345) 8.565 8.824 ( -2.064 2.064 28.914) 29.061 8.851 ( 0.827 -0.827 15.382) 15.427 9.709 ( -2.865 2.865 8.433) 9.356 9.927 ( 1.300 -1.300 4.131) 4.521 10.080 ( -2.437 2.437 2.199) 4.088 10.540 ( 0.550 -0.550 -13.524) 13.546 10.709 ( -1.302 1.302 -5.285) 5.597 10.995 ( 3.400 -3.400 12.182) 13.097 12.474 ( -1.085 1.085 -20.445) 20.503 12.723 ( -4.355 4.355 1.505) 6.340 15.554 ( 1.339 -1.339 5.126) 5.465 15.898 ( -0.603 0.603 1.064) 1.364 15.984 ( 6.123 -6.123 -5.779) 10.410 16.538 ( -3.654 3.654 -3.388) 6.179 16.581 ( 2.739 -2.739 2.421) 4.569 16.651 ( 13.194 -13.194 0.067) 18.659 17.082 ( 6.697 -6.697 -8.836) 12.953 17.547 ( -2.128 2.128 -9.522) 9.987 17.996 ( -6.789 6.789 -2.493) 9.919 18.438 ( -6.780 6.780 3.624) 10.250 18.454 ( -5.567 5.567 -5.048) 9.352 19.734 ( -1.721 1.721 -9.918) 10.212 ======================= Grid point 19 (11/112) ======================= q-point: ( 0.32 -0.01 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -6.646 6.646 18.000) 20.306 2.016 ( -6.914 6.914 11.455) 15.061 2.694 ( -4.388 4.388 2.091) 6.548 2.721 ( -0.387 0.387 -1.906) 1.983 2.799 ( -0.312 0.312 -3.952) 3.977 2.897 ( -3.433 3.433 -0.439) 4.875 3.444 ( 1.038 -1.038 -3.664) 3.947 3.982 ( 5.666 -5.666 8.875) 11.957 4.168 ( -0.445 0.445 1.541) 1.665 4.604 ( 0.729 -0.729 6.380) 6.463 5.148 ( -5.877 5.877 6.519) 10.563 5.282 ( -7.247 7.247 5.787) 11.770 8.647 ( 5.750 -5.750 22.780) 24.188 8.692 ( 4.609 -4.609 12.206) 13.838 8.922 ( 0.749 -0.749 14.497) 14.536 9.270 ( 0.825 -0.825 32.437) 32.458 9.704 ( 1.489 -1.489 6.024) 6.382 9.918 ( -1.979 1.979 2.686) 3.879 9.920 ( -1.779 1.779 4.273) 4.959 10.502 ( -0.663 0.663 -14.179) 14.210 10.756 ( 1.388 -1.388 -0.398) 2.003 10.878 ( -3.735 3.735 3.855) 6.540 12.401 ( -3.778 3.778 2.911) 6.084 12.576 ( 2.979 -2.979 -22.516) 22.907 15.993 ( 6.436 -6.436 2.051) 9.330 16.184 ( -1.647 1.647 -0.632) 2.413 16.285 ( 5.928 -5.928 -7.577) 11.300 16.315 ( 4.472 -4.472 -7.427) 9.755 16.758 ( -0.290 0.290 -5.706) 5.720 17.017 ( -4.150 4.150 -14.513) 15.655 17.317 ( -1.566 1.566 -7.512) 7.832 17.551 ( 12.225 -12.225 -0.003) 17.289 17.643 ( -6.328 6.328 3.362) 9.560 17.975 ( 0.847 -0.847 4.461) 4.619 18.381 ( -1.200 1.200 11.719) 11.842 19.088 ( -15.136 15.136 -9.017) 23.227 ======================= Grid point 20 (12/112) ======================= q-point: ( 0.48 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -0.000 1.551 0.247) 1.571 2.505 ( -0.000 2.324 0.828) 2.467 2.535 ( 0.000 -0.875 -1.255) 1.531 2.747 ( -0.000 0.373 -0.838) 0.917 2.929 ( -0.000 0.323 -0.415) 0.526 2.997 ( -0.000 0.890 0.050) 0.891 3.304 ( 0.000 -0.177 -0.753) 0.773 4.237 ( -0.000 0.391 0.233) 0.455 4.264 ( -0.000 0.968 0.923) 1.337 4.825 ( -0.000 1.953 1.692) 2.584 5.389 ( -0.000 1.622 0.665) 1.753 5.665 ( -0.000 1.056 0.445) 1.146 8.815 ( 0.000 -2.106 4.251) 4.744 8.863 ( 0.000 -1.611 2.013) 2.578 9.540 ( -0.000 -1.389 17.524) 17.579 9.857 ( 0.000 0.688 -3.252) 3.324 9.862 ( -0.000 -0.759 3.845) 3.919 9.896 ( 0.000 0.851 -15.195) 15.219 10.118 ( 0.000 -1.802 2.563) 3.133 10.338 ( -0.000 0.128 10.797) 10.797 11.006 ( -0.000 0.289 3.475) 3.487 11.223 ( -0.000 -0.784 5.596) 5.650 11.981 ( -0.000 0.699 4.533) 4.587 12.277 ( 0.000 3.538 -17.802) 18.150 15.696 ( 0.000 -2.737 -0.457) 2.775 15.943 ( 0.000 -4.083 1.408) 4.319 16.273 ( -0.000 -1.624 7.218) 7.399 16.313 ( -0.000 3.257 -2.667) 4.209 16.441 ( 0.000 0.333 -7.804) 7.811 16.732 ( 0.000 -2.693 0.062) 2.694 16.910 ( 0.000 -6.240 1.575) 6.436 17.166 ( -0.000 4.994 -4.049) 6.429 17.899 ( -0.000 2.029 -0.869) 2.207 18.284 ( -0.000 2.258 -0.802) 2.396 18.796 ( 0.000 -4.384 8.962) 9.977 19.119 ( -0.000 7.680 -10.730) 13.195 ======================= Grid point 21 (13/112) ======================= q-point: ( 0.48 -0.02 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -0.677 2.079 -2.066) 3.008 2.601 ( 4.755 1.825 -0.607) 5.129 2.625 ( 6.479 3.028 -1.688) 7.349 2.719 ( -0.188 -3.421 -1.281) 3.658 2.883 ( -2.185 -5.466 -2.475) 6.386 2.963 ( 0.845 -1.745 -0.820) 2.105 3.305 ( -2.298 2.683 -0.223) 3.540 4.249 ( 0.491 0.002 -0.444) 0.662 4.254 ( -4.760 3.718 0.251) 6.045 4.771 ( -10.307 6.359 -2.650) 12.397 5.509 ( 7.014 0.545 -1.776) 7.256 5.640 ( 0.159 -3.755 -1.248) 3.960 8.793 ( 1.007 -1.425 6.483) 6.714 8.852 ( 2.249 -1.903 4.631) 5.489 9.518 ( 0.515 -1.184 17.718) 17.765 9.843 ( -0.282 0.485 2.064) 2.139 9.865 ( -0.088 -1.211 4.398) 4.563 9.910 ( -0.054 0.517 -16.842) 16.850 10.046 ( 2.259 -4.830 5.449) 7.624 10.453 ( -0.463 7.991 8.876) 11.952 10.872 ( -9.698 1.434 3.598) 10.442 11.293 ( 7.288 -3.827 5.136) 9.703 11.989 ( -1.061 1.164 2.033) 2.572 12.319 ( -1.857 2.690 -21.498) 21.745 15.698 ( 3.231 -0.963 5.579) 6.519 15.842 ( 0.333 -5.394 4.542) 7.059 16.235 ( 0.256 -1.254 9.019) 9.110 16.280 ( -1.746 -1.611 -5.887) 6.349 16.502 ( 4.302 -0.853 -7.348) 8.557 16.621 ( 3.390 -8.007 2.713) 9.109 16.889 ( -2.256 3.166 5.389) 6.645 17.316 ( -4.045 10.221 -4.058) 11.717 17.926 ( -0.328 0.901 -3.789) 3.908 18.300 ( -3.377 3.399 -5.593) 7.364 18.711 ( 3.027 -6.085 8.241) 10.682 19.236 ( -0.945 4.194 -15.002) 15.606 ======================= Grid point 24 (14/112) ======================= q-point: ( 0.48 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.012 0.681 2.180) 2.283 2.566 ( 0.923 8.489 4.418) 9.614 2.608 ( 1.458 3.736 -0.912) 4.113 2.712 ( -3.464 0.170 -0.629) 3.525 2.841 ( -7.858 -3.369 1.293) 8.647 2.954 ( -1.620 1.696 0.077) 2.347 3.313 ( 2.660 -1.988 -1.036) 3.479 4.210 ( 2.079 -5.183 4.619) 7.247 4.236 ( -0.557 0.661 0.844) 1.208 4.721 ( 4.138 -8.790 2.310) 9.986 5.455 ( -1.975 7.789 3.566) 8.791 5.603 ( -5.423 0.753 2.427) 5.989 8.857 ( 1.249 0.022 0.010) 1.250 8.904 ( 0.514 1.363 -0.229) 1.475 9.563 ( 0.847 -0.210 17.410) 17.432 9.825 ( 0.340 -1.369 -2.423) 2.804 9.878 ( -0.825 0.472 -15.254) 15.283 9.904 ( -0.167 1.604 1.469) 2.181 10.094 ( -3.694 1.904 1.195) 4.325 10.453 ( 9.460 -1.763 12.070) 15.436 10.864 ( 0.884 -9.610 4.262) 10.550 11.319 ( -2.955 7.336 3.967) 8.848 11.970 ( 0.198 -0.379 6.514) 6.528 12.196 ( -2.681 -0.667 -14.371) 14.634 15.810 ( 4.366 3.896 -5.244) 7.857 15.964 ( -1.319 -2.478 -6.648) 7.217 16.161 ( -1.664 -4.201 4.868) 6.642 16.318 ( 0.321 0.667 4.729) 4.786 16.468 ( -2.373 3.887 -7.984) 9.192 16.703 ( -6.722 4.223 -5.509) 9.663 17.007 ( 3.501 -2.538 -6.467) 7.779 17.260 ( 13.639 -3.831 1.784) 14.279 17.861 ( -2.214 0.921 2.640) 3.566 18.200 ( -0.769 -4.117 4.343) 6.033 18.872 ( -1.445 4.905 2.193) 5.564 18.973 ( -5.807 -0.093 1.297) 5.950 ======================= Grid point 26 (15/112) ======================= q-point: (-0.36 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 -2.216 -6.504) 6.872 2.351 ( 0.000 -5.745 -7.629) 9.551 2.610 ( -0.000 2.049 2.891) 3.544 2.740 ( 0.000 -2.713 2.287) 3.548 2.891 ( 0.000 -4.531 -0.252) 4.538 2.907 ( 0.000 -5.758 0.324) 5.767 3.364 ( -0.000 1.879 2.319) 2.985 4.193 ( 0.000 -0.793 -4.471) 4.541 4.205 ( 0.000 -0.903 -1.401) 1.667 4.707 ( 0.000 0.963 -7.361) 7.424 5.270 ( 0.000 -4.409 -4.630) 6.393 5.532 ( 0.000 -8.180 -3.682) 8.970 8.764 ( -0.000 7.233 -10.549) 12.791 8.858 ( -0.000 2.934 -3.875) 4.860 9.222 ( 0.000 1.268 -16.648) 16.696 9.750 ( -0.000 5.033 -13.236) 14.161 9.884 ( 0.000 -0.365 1.064) 1.125 9.998 ( 0.000 -1.109 -16.524) 16.561 10.085 ( 0.000 1.945 -10.494) 10.673 10.205 ( -0.000 -0.961 16.039) 16.068 10.881 ( 0.000 -0.240 -6.847) 6.851 11.004 ( 0.000 -2.860 -10.686) 11.062 12.126 ( -0.000 1.432 17.240) 17.299 12.442 ( 0.000 -6.630 8.008) 10.397 15.874 ( -0.000 8.626 4.363) 9.667 16.069 ( -0.000 7.056 0.554) 7.078 16.203 ( -0.000 2.429 -2.785) 3.695 16.248 ( 0.000 -6.008 4.829) 7.708 16.596 ( -0.000 -0.530 8.148) 8.165 16.801 ( 0.000 -3.431 8.911) 9.549 17.177 ( -0.000 4.600 7.822) 9.074 17.233 ( -0.000 15.439 -3.205) 15.768 17.802 ( 0.000 -6.886 -1.610) 7.072 18.202 ( 0.000 -4.539 -1.841) 4.898 18.631 ( 0.000 0.473 -11.916) 11.926 19.096 ( 0.000 -16.098 10.502) 19.221 ======================= Grid point 27 (16/112) ======================= q-point: (-0.36 -0.03 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 1.549 -1.549 -8.445) 8.725 2.329 ( 5.073 -5.073 -13.984) 15.717 2.657 ( 0.152 -0.152 2.282) 2.292 2.714 ( 2.493 -2.493 1.005) 3.666 2.725 ( -0.043 0.043 3.154) 3.154 2.892 ( 4.627 -4.627 0.077) 6.545 3.384 ( -1.141 1.141 2.275) 2.789 4.146 ( -3.789 3.789 -7.177) 8.957 4.199 ( 0.501 -0.501 -1.454) 1.618 4.730 ( -4.550 4.550 -6.062) 8.840 5.280 ( 5.230 -5.230 -6.459) 9.819 5.392 ( 6.263 -6.263 -5.059) 10.200 8.859 ( -2.435 2.435 -4.431) 5.611 8.886 ( -1.334 1.334 -4.783) 5.142 9.235 ( -0.624 0.624 -16.506) 16.530 9.834 ( -1.145 1.145 -5.659) 5.886 9.844 ( -1.538 1.538 -5.000) 5.453 9.985 ( 2.329 -2.329 -2.858) 4.361 10.119 ( -4.432 4.432 -30.868) 31.497 10.196 ( 0.692 -0.692 15.652) 15.682 10.805 ( -3.292 3.292 -4.848) 6.722 11.035 ( 6.172 -6.172 -10.641) 13.763 12.145 ( -1.536 1.536 18.705) 18.830 12.362 ( 2.960 -2.960 6.841) 8.020 16.021 ( -3.285 3.285 0.900) 4.732 16.104 ( -1.601 1.601 9.589) 9.853 16.172 ( -3.792 3.792 4.977) 7.317 16.219 ( -0.735 0.735 -3.160) 3.327 16.605 ( 2.457 -2.457 9.105) 9.746 16.746 ( 5.615 -5.615 11.817) 14.238 17.176 ( -0.898 0.898 5.925) 6.059 17.560 ( -13.829 13.829 -0.124) 19.557 17.721 ( 4.008 -4.008 -4.422) 7.188 18.078 ( -1.231 1.231 -5.871) 6.124 18.651 ( -0.461 0.461 -14.959) 14.973 18.890 ( 14.003 -14.003 10.375) 22.356 ======================= Grid point 29 (17/112) ======================= q-point: (-0.36 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.638 3.247 -0.486) 4.900 2.540 ( 5.882 6.055 -2.440) 8.787 2.618 ( -0.601 4.139 1.958) 4.618 2.793 ( 0.636 1.264 2.336) 2.731 2.929 ( 0.962 -1.344 1.026) 1.946 2.994 ( 2.383 -0.317 -0.047) 2.405 3.303 ( -1.119 -3.036 2.449) 4.058 4.092 ( 3.801 -12.456 -7.275) 14.917 4.237 ( 1.060 0.791 -0.629) 1.465 4.712 ( 3.863 -3.874 0.978) 5.558 5.455 ( 4.133 7.331 -2.432) 8.761 5.646 ( 2.937 -0.153 -1.699) 3.397 8.654 ( -5.710 3.155 -15.094) 16.443 8.805 ( -3.058 1.725 -5.627) 6.633 9.193 ( -1.356 0.063 -16.953) 17.007 9.613 ( -8.555 -0.453 -24.297) 25.763 9.885 ( 1.400 -1.010 -1.150) 2.074 9.955 ( -1.251 -2.289 -10.236) 10.563 10.138 ( 4.854 0.811 -4.282) 6.524 10.229 ( 0.656 0.502 15.845) 15.867 10.752 ( 0.232 -8.562 -4.116) 9.503 11.165 ( -0.250 8.220 -11.342) 14.009 12.107 ( 0.582 -0.837 15.207) 15.241 12.566 ( 6.209 -1.458 10.710) 12.465 15.719 ( -7.223 0.770 -1.409) 7.400 15.940 ( -6.769 1.919 1.810) 7.265 16.090 ( -1.353 -4.901 -6.464) 8.224 16.361 ( 4.976 -0.406 3.228) 5.945 16.625 ( -0.788 1.569 4.452) 4.785 16.784 ( -11.937 4.587 1.615) 12.890 16.915 ( -6.755 3.127 2.840) 7.967 17.287 ( 6.751 -1.072 9.121) 11.399 17.924 ( 4.838 -1.163 1.568) 5.217 18.267 ( 7.818 -3.604 1.970) 8.831 18.609 ( -0.868 -1.605 -8.570) 8.762 19.387 ( 8.677 2.289 12.587) 15.459 ======================= Grid point 30 (18/112) ======================= q-point: (-0.36 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -0.353 0.353 2.491) 2.540 2.698 ( -2.850 2.850 -0.253) 4.038 2.743 ( -1.457 1.457 1.052) 2.314 2.761 ( -1.610 1.610 1.230) 2.588 2.931 ( -1.800 1.800 2.070) 3.280 2.974 ( 0.988 -0.988 1.028) 1.734 3.255 ( 3.799 -3.799 1.802) 5.667 3.980 ( 12.020 -12.020 -10.143) 19.795 4.259 ( -0.061 0.061 -0.143) 0.167 4.702 ( 4.825 -4.825 6.640) 9.521 5.616 ( -0.763 0.763 -1.245) 1.648 5.642 ( -0.865 0.865 -0.810) 1.467 8.640 ( -3.884 3.884 -14.484) 15.491 8.807 ( -3.479 3.479 -5.308) 7.238 9.180 ( -0.777 0.777 -17.118) 17.153 9.483 ( -4.379 4.379 -32.103) 32.695 9.904 ( 2.151 -2.151 -10.389) 10.825 9.907 ( 0.591 -0.591 4.438) 4.516 10.218 ( 2.264 -2.264 -10.479) 10.957 10.242 ( -0.092 0.092 15.891) 15.891 10.646 ( 4.357 -4.357 0.433) 6.177 11.251 ( -4.675 4.675 -11.604) 13.356 12.107 ( 1.323 -1.323 14.715) 14.834 12.614 ( 4.044 -4.044 12.195) 13.470 15.647 ( -3.815 3.815 -5.101) 7.425 15.893 ( -4.651 4.651 3.094) 7.268 16.019 ( 2.182 -2.182 -9.397) 9.891 16.414 ( 0.715 -0.715 7.420) 7.489 16.619 ( 0.367 -0.367 -0.630) 0.817 16.688 ( -9.394 9.394 -2.268) 13.478 16.908 ( -4.732 4.732 7.237) 9.857 17.356 ( 4.489 -4.489 9.032) 11.040 17.950 ( 3.963 -3.963 2.051) 5.968 18.341 ( 4.875 -4.875 5.941) 9.101 18.561 ( 1.276 -1.276 -8.606) 8.793 19.499 ( 1.950 -1.950 13.353) 13.635 ======================= Grid point 33 (19/112) ======================= q-point: (-0.20 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 -12.188 -18.329) 22.012 1.584 ( 0.000 -13.796 -19.200) 23.642 2.439 ( 0.000 -12.744 -15.571) 20.121 2.778 ( -0.000 1.281 2.623) 2.919 2.872 ( -0.000 -0.447 2.614) 2.652 2.887 ( 0.000 -1.947 1.831) 2.673 3.536 ( -0.000 0.978 4.336) 4.445 3.890 ( 0.000 -3.070 -8.131) 8.692 4.136 ( -0.000 0.907 -1.305) 1.589 4.453 ( -0.000 7.162 -8.025) 10.756 4.944 ( 0.000 -4.462 -5.680) 7.223 5.089 ( 0.000 -13.740 -5.817) 14.921 8.045 ( -0.000 19.529 -38.552) 43.216 8.545 ( 0.000 1.395 -14.077) 14.146 8.667 ( 0.000 0.866 -11.541) 11.574 8.686 ( 0.000 -6.495 -21.087) 22.065 9.627 ( 0.000 -2.006 -3.545) 4.073 9.787 ( 0.000 0.916 -4.356) 4.451 9.837 ( 0.000 -3.556 -4.320) 5.595 10.747 ( -0.000 0.056 10.433) 10.433 10.813 ( -0.000 -0.079 4.292) 4.292 10.867 ( 0.000 -4.460 5.450) 7.042 12.230 ( 0.000 -4.399 -9.338) 10.322 13.054 ( -0.000 5.029 20.454) 21.063 16.103 ( -0.000 6.894 1.221) 7.001 16.158 ( -0.000 1.227 2.467) 2.756 16.473 ( -0.000 9.318 5.932) 11.046 16.532 ( -0.000 6.251 4.763) 7.859 16.865 ( -0.000 1.056 5.030) 5.140 17.261 ( -0.000 -0.479 12.588) 12.597 17.368 ( -0.000 10.790 -1.379) 10.878 17.496 ( 0.000 -12.812 -3.304) 13.231 17.670 ( -0.000 11.548 6.928) 13.466 18.002 ( 0.000 -6.509 -1.916) 6.785 18.148 ( 0.000 -4.225 -8.628) 9.607 19.038 ( 0.000 -24.380 5.691) 25.035 ======================= Grid point 35 (20/112) ======================= q-point: (-0.20 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 15.278 4.727 -15.383) 22.190 2.055 ( 16.304 8.957 -9.298) 20.797 2.749 ( -1.558 0.280 2.084) 2.617 2.795 ( 12.152 4.226 -4.343) 13.579 2.907 ( 1.118 1.987 2.930) 3.713 2.945 ( 2.612 0.393 0.528) 2.694 3.497 ( -2.016 -1.219 4.483) 5.065 3.683 ( -2.610 -19.886 -9.876) 22.357 4.154 ( 1.534 1.391 -1.606) 2.620 4.573 ( 6.263 11.200 -2.782) 13.130 5.163 ( 7.817 8.506 -4.871) 12.538 5.366 ( 10.707 0.870 -4.548) 11.666 7.638 ( -19.071 2.180 -41.802) 45.999 8.326 ( -0.049 -12.713 -19.543) 23.314 8.634 ( -1.597 -0.691 -11.847) 11.974 8.853 ( -2.646 4.943 -14.122) 15.194 9.621 ( 0.399 -2.767 -1.541) 3.192 9.815 ( -1.037 3.613 -4.934) 6.203 9.917 ( 4.728 -0.839 -5.124) 7.022 10.764 ( -0.402 1.726 9.336) 9.503 10.813 ( 0.316 -0.039 6.195) 6.203 10.933 ( 0.613 -0.553 5.051) 5.118 12.367 ( 6.309 1.429 -10.658) 12.468 12.931 ( -3.205 -1.764 19.954) 20.286 15.758 ( -9.636 -10.386 -4.066) 14.740 16.205 ( -4.628 0.493 6.108) 7.679 16.267 ( -7.402 1.290 5.529) 9.329 16.410 ( -0.497 -0.428 4.252) 4.302 16.712 ( -5.659 -4.711 -4.306) 8.530 17.179 ( -16.762 11.674 -0.860) 20.444 17.309 ( -2.682 4.875 10.866) 12.208 17.623 ( 3.165 0.295 11.875) 12.293 17.783 ( 10.584 -0.678 0.053) 10.606 18.054 ( 12.822 -9.290 -1.127) 15.873 18.290 ( 7.347 0.671 -4.322) 8.550 19.560 ( 13.736 7.825 7.366) 17.441 ======================= Grid point 36 (21/112) ======================= q-point: (-0.20 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 11.273 11.332 -9.722) 18.709 2.521 ( 14.681 4.911 -5.149) 16.314 2.669 ( -6.928 -1.911 -2.425) 7.585 2.906 ( -2.415 0.269 0.091) 2.432 2.972 ( -0.364 -0.988 -0.353) 1.110 3.036 ( 3.264 0.537 4.265) 5.398 3.233 ( 8.109 -22.332 -10.594) 26.013 3.410 ( -1.755 -3.179 5.185) 6.330 4.221 ( 1.506 0.953 -1.053) 2.071 4.874 ( 4.164 4.798 4.394) 7.724 5.445 ( 3.389 3.007 -4.152) 6.146 5.544 ( 5.788 1.493 -2.017) 6.309 7.468 ( -12.093 11.225 -46.214) 49.071 8.157 ( 6.597 -10.028 -24.800) 27.552 8.591 ( -1.217 -0.288 -12.391) 12.454 8.748 ( -8.144 -0.424 -5.753) 9.980 9.579 ( -0.093 -1.126 -2.170) 2.447 9.851 ( -2.002 2.813 -5.301) 6.326 9.973 ( 3.442 -1.902 -5.182) 6.505 10.782 ( -1.207 1.588 7.841) 8.090 10.833 ( 1.074 0.631 7.085) 7.193 10.886 ( -1.912 -1.262 0.339) 2.315 12.487 ( 4.192 -0.725 -11.989) 12.722 12.883 ( 0.067 -0.644 20.893) 20.903 15.453 ( -3.442 -5.103 -7.176) 9.454 16.043 ( -3.077 -1.870 10.883) 11.463 16.227 ( -6.137 4.674 5.216) 9.312 16.460 ( 4.324 -3.131 -0.297) 5.347 16.623 ( -3.380 5.418 -1.567) 6.575 17.020 ( -16.967 9.238 4.047) 19.738 17.386 ( -5.837 8.871 8.143) 13.382 17.702 ( 1.414 1.365 8.950) 9.163 17.847 ( 9.939 -10.236 0.468) 14.275 18.162 ( 12.587 -8.435 -3.291) 15.505 18.420 ( 5.439 -1.469 1.814) 5.919 19.840 ( 4.268 2.470 6.581) 8.224 ======================= Grid point 39 (22/112) ======================= q-point: (-0.04 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 0.000 -23.915) 23.915 0.474 ( 0.000 0.000 -23.915) 23.915 0.993 ( 0.000 0.000 -46.087) 46.087 2.842 ( -0.000 -0.000 0.544) 0.544 2.914 ( -0.000 -0.000 0.016) 0.016 2.914 ( -0.000 -0.000 0.016) 0.016 3.555 ( 0.000 0.000 -4.653) 4.653 3.692 ( -0.000 -0.000 2.248) 2.248 4.127 ( 0.000 0.000 -0.115) 0.115 4.329 ( 0.000 0.000 -3.332) 3.332 4.723 ( 0.000 0.000 -2.431) 2.431 4.723 ( 0.000 0.000 -2.431) 2.431 7.059 ( 0.000 0.000 -15.469) 15.469 8.020 ( 0.000 0.000 -8.784) 8.784 8.020 ( 0.000 0.000 -8.784) 8.784 8.359 ( 0.000 0.000 -4.024) 4.024 9.468 ( 0.000 0.000 -1.474) 1.474 9.697 ( 0.000 0.000 -1.010) 1.010 9.697 ( 0.000 0.000 -1.010) 1.010 10.963 ( -0.000 -0.000 2.524) 2.524 10.963 ( -0.000 -0.000 2.524) 2.524 11.066 ( -0.000 -0.000 4.129) 4.129 11.821 ( 0.000 0.000 -6.279) 6.279 13.718 ( -0.000 -0.000 7.974) 7.974 16.324 ( -0.000 -0.000 3.551) 3.551 16.324 ( -0.000 -0.000 3.551) 3.551 16.688 ( 0.000 0.000 -0.509) 0.509 16.688 ( 0.000 0.000 -0.509) 0.509 17.054 ( -0.000 -0.000 2.627) 2.627 17.189 ( 0.000 0.000 -2.086) 2.086 17.551 ( -0.000 -0.000 1.685) 1.685 17.856 ( 0.000 0.000 -0.930) 0.930 17.856 ( 0.000 0.000 -0.930) 0.930 17.896 ( -0.000 -0.000 10.261) 10.261 17.948 ( -0.000 -0.000 0.953) 0.953 18.586 ( 0.000 0.000 -5.725) 5.725 ======================= Grid point 40 (23/112) ======================= q-point: (-0.04 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 14.519 14.519 -14.932) 25.388 1.056 ( 12.416 12.416 -26.414) 31.718 1.851 ( 33.127 33.127 -12.244) 48.422 2.847 ( -0.098 -0.098 1.115) 1.123 2.896 ( -0.681 -0.681 -1.047) 1.422 2.981 ( 3.312 3.312 1.480) 4.912 3.501 ( -8.226 -8.226 -4.648) 12.528 3.674 ( -0.902 -0.902 2.239) 2.577 4.108 ( -0.401 -0.401 -0.323) 0.652 4.302 ( 7.397 7.397 -2.480) 10.751 4.851 ( 6.640 6.640 -2.360) 9.682 4.994 ( 8.367 8.367 -2.452) 12.083 6.741 ( -12.261 -12.261 -15.682) 23.379 7.769 ( -10.551 -10.551 -9.782) 17.842 8.263 ( 8.308 8.308 -9.522) 15.123 8.336 ( -1.165 -1.165 -4.147) 4.462 9.602 ( 3.506 3.506 1.341) 5.137 9.687 ( 1.228 1.228 -2.201) 2.803 9.825 ( -0.577 -0.577 3.273) 3.373 10.968 ( 0.254 0.254 2.444) 2.471 11.085 ( 0.788 0.788 4.206) 4.351 11.388 ( 0.643 0.643 19.419) 19.441 11.852 ( 1.205 1.205 -7.341) 7.536 13.639 ( -1.346 -1.346 11.739) 11.892 15.914 ( -14.923 -14.923 -0.550) 21.111 16.353 ( -10.747 -10.747 -14.830) 21.235 16.415 ( 1.842 1.842 -4.907) 5.556 16.629 ( -1.499 -1.499 2.644) 3.389 16.657 ( -2.018 -2.018 4.476) 5.308 17.253 ( 4.899 4.899 -3.561) 7.790 17.394 ( 4.412 4.412 -1.365) 6.387 17.773 ( 8.086 8.086 2.769) 11.765 17.843 ( 0.311 0.311 1.183) 1.262 17.994 ( 3.202 3.202 -1.906) 4.913 18.191 ( -5.411 -5.411 12.510) 14.665 19.567 ( 14.269 14.269 11.481) 23.217 ======================= Grid point 41 (24/112) ======================= q-point: (-0.04 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 17.700 17.700 -9.594) 26.807 1.556 ( 11.754 11.754 -23.301) 28.622 2.753 ( -1.322 -1.322 0.545) 1.947 2.854 ( 10.084 10.084 -1.069) 14.301 2.912 ( 2.723 2.723 -0.760) 3.925 2.938 ( -16.305 -16.305 -4.306) 23.457 3.155 ( 3.487 3.487 2.136) 5.374 3.625 ( -1.373 -1.373 2.571) 3.222 4.138 ( 1.846 1.846 -0.743) 2.714 4.803 ( 13.140 13.140 0.624) 18.593 5.251 ( 3.942 3.942 -2.152) 5.976 5.269 ( 13.043 13.043 -0.969) 18.472 6.297 ( -8.207 -8.207 -17.601) 21.083 7.348 ( -8.794 -8.794 -12.216) 17.433 8.276 ( -1.597 -1.597 -4.404) 4.949 8.527 ( 4.164 4.164 -7.033) 9.172 9.593 ( -1.065 -1.065 0.710) 1.665 9.688 ( -5.610 -5.610 -1.937) 8.167 9.858 ( 4.002 4.002 1.548) 5.867 10.981 ( 0.312 0.312 2.411) 2.451 11.052 ( -4.231 -4.231 3.645) 7.007 11.224 ( -2.280 -2.280 6.707) 7.442 11.887 ( 0.358 0.358 -10.072) 10.085 13.617 ( -0.248 -0.248 13.516) 13.520 15.397 ( -9.587 -9.587 -2.065) 13.714 16.105 ( -2.850 -2.850 -10.887) 11.609 16.575 ( -1.088 -1.088 3.651) 3.962 16.582 ( 4.197 4.197 1.706) 6.176 16.642 ( 1.182 1.182 9.848) 9.989 17.387 ( 0.502 0.502 0.002) 0.710 17.540 ( 3.430 3.430 -0.789) 4.914 17.772 ( -1.990 -1.990 -0.657) 2.890 17.961 ( 1.294 1.294 3.957) 4.360 17.968 ( -4.120 -4.120 4.588) 7.416 18.291 ( 7.877 7.877 -0.886) 11.175 19.909 ( 5.009 5.009 2.516) 7.517 ======================= Grid point 42 (25/112) ======================= q-point: (-0.04 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 0.000 -23.129) 23.129 2.139 ( 0.000 0.000 -9.914) 9.914 2.304 ( -0.000 -0.000 -3.394) 3.394 2.649 ( -0.000 -0.000 0.488) 0.488 2.917 ( -0.000 -0.000 0.151) 0.151 3.104 ( 0.000 0.000 0.472) 0.472 3.244 ( 0.000 0.000 3.190) 3.190 3.590 ( -0.000 -0.000 3.371) 3.371 4.189 ( 0.000 0.000 -0.819) 0.819 5.116 ( 0.000 0.000 3.226) 3.226 5.305 ( -0.000 -0.000 -2.268) 2.268 5.589 ( 0.000 0.000 2.657) 2.657 6.156 ( 0.000 0.000 -20.932) 20.932 7.161 ( 0.000 0.000 -14.038) 14.038 8.237 ( 0.000 0.000 -4.563) 4.563 8.595 ( -0.000 -0.000 -3.170) 3.170 9.530 ( 0.000 0.000 -6.859) 6.859 9.570 ( -0.000 -0.000 0.593) 0.593 9.940 ( -0.000 -0.000 3.264) 3.264 10.928 ( 0.000 0.000 2.570) 2.570 10.988 ( 0.000 0.000 2.499) 2.499 11.209 ( 0.000 0.000 5.401) 5.401 11.890 ( -0.000 -0.000 -11.833) 11.833 13.611 ( 0.000 0.000 12.891) 12.891 15.201 ( 0.000 0.000 -2.235) 2.235 16.052 ( 0.000 0.000 -9.214) 9.214 16.552 ( 0.000 0.000 3.880) 3.880 16.633 ( -0.000 -0.000 13.137) 13.137 16.740 ( -0.000 -0.000 1.023) 1.023 17.346 ( 0.000 0.000 3.217) 3.217 17.667 ( -0.000 -0.000 -0.243) 0.243 17.674 ( 0.000 0.000 -0.930) 0.930 17.900 ( 0.000 0.000 -0.343) 0.343 17.985 ( -0.000 -0.000 2.914) 2.914 18.457 ( 0.000 0.000 0.175) 0.175 20.009 ( 0.000 0.000 1.280) 1.280 ======================= Grid point 46 (26/112) ======================= q-point: ( 0.12 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 19.888 20.551) 28.598 0.894 ( -0.000 31.682 11.886) 33.838 1.403 ( -0.000 39.139 27.008) 47.553 2.846 ( -0.000 0.311 -0.830) 0.886 2.924 ( -0.000 1.105 -0.195) 1.123 2.928 ( -0.000 1.356 -0.255) 1.380 3.610 ( -0.000 5.166 4.530) 6.871 3.683 ( 0.000 -0.919 -2.232) 2.414 4.092 ( 0.000 -4.950 0.798) 5.014 4.236 ( 0.000 -3.202 2.360) 3.978 4.775 ( -0.000 5.212 2.335) 5.711 4.912 ( -0.000 14.461 2.497) 14.675 6.859 ( 0.000 -18.757 15.494) 24.329 8.014 ( -0.000 -0.621 8.715) 8.737 8.044 ( -0.000 1.114 9.960) 10.022 8.347 ( 0.000 -1.202 4.096) 4.269 9.562 ( -0.000 8.907 0.687) 8.933 9.673 ( 0.000 -2.387 1.174) 2.661 9.819 ( -0.000 2.579 -4.505) 5.191 10.949 ( 0.000 -1.162 -2.532) 2.786 11.080 ( 0.000 1.069 -4.131) 4.267 11.353 ( -0.000 15.951 -24.047) 28.856 11.846 ( -0.000 2.760 6.248) 6.831 13.660 ( 0.000 -3.239 -9.837) 10.356 16.159 ( 0.000 -14.003 -1.029) 14.041 16.278 ( 0.000 -4.289 -1.899) 4.691 16.540 ( 0.000 -20.061 14.434) 24.714 16.651 ( 0.000 -2.234 -2.711) 3.513 16.784 ( 0.000 -15.406 17.740) 23.495 16.980 ( 0.000 -6.664 -1.110) 6.756 17.396 ( -0.000 16.964 1.615) 17.040 17.637 ( -0.000 6.329 -2.990) 7.000 17.961 ( -0.000 1.145 -0.545) 1.268 17.962 ( -0.000 9.577 0.336) 9.583 18.255 ( 0.000 -2.677 -14.523) 14.768 19.348 ( -0.000 31.146 -16.819) 35.397 ======================= Grid point 47 (27/112) ======================= q-point: ( 0.12 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 4.564 21.941 14.579) 26.735 1.456 ( -2.325 29.743 16.466) 34.076 2.501 ( 18.189 29.293 4.634) 34.790 2.836 ( -2.215 -0.861 -1.473) 2.796 2.899 ( -1.015 0.699 1.294) 1.787 3.055 ( 4.411 4.029 -2.228) 6.375 3.366 ( -23.185 -3.968 4.909) 24.029 3.647 ( -0.782 -1.705 -2.286) 2.957 4.104 ( 2.350 1.013 0.714) 2.657 4.484 ( 18.214 10.286 1.269) 20.956 5.017 ( 8.672 9.857 2.009) 13.282 5.223 ( 0.897 13.389 2.102) 13.583 6.371 ( -0.697 -23.979 16.466) 29.097 7.639 ( -18.466 -2.591 10.775) 21.536 8.302 ( -0.770 -2.140 4.301) 4.865 8.351 ( 12.984 0.801 8.765) 15.686 9.603 ( -0.117 -3.042 0.296) 3.058 9.761 ( -1.257 -2.980 -1.751) 3.677 9.812 ( 0.481 7.493 0.387) 7.519 10.951 ( 2.149 -1.581 -2.443) 3.618 11.093 ( -0.367 -0.664 -4.042) 4.113 11.331 ( -6.802 -5.513 -10.215) 13.454 11.895 ( -1.163 2.619 8.495) 8.965 13.624 ( -0.384 -0.131 -13.730) 13.736 15.639 ( -14.104 -12.031 1.559) 18.604 16.166 ( -3.302 -7.161 12.913) 15.130 16.393 ( 13.332 -3.949 0.857) 13.931 16.608 ( -0.911 -1.107 -4.635) 4.852 16.627 ( -0.766 -1.274 -7.351) 7.500 17.104 ( 19.183 -12.215 3.161) 22.961 17.540 ( -4.686 4.113 -1.103) 6.332 17.903 ( 4.999 2.941 -5.080) 7.710 17.990 ( 1.484 -2.909 -3.043) 4.464 18.029 ( -12.721 16.393 0.240) 20.751 18.239 ( -3.295 11.248 -2.004) 11.891 19.798 ( 5.560 9.030 -4.600) 11.559 ======================= Grid point 48 (28/112) ======================= q-point: ( 0.12 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 5.107 12.881 17.329) 22.188 2.043 ( 0.664 30.782 9.963) 32.360 2.657 ( -14.347 -5.485 0.442) 15.366 2.750 ( -17.281 -2.537 4.283) 17.983 2.910 ( 0.397 0.435 -0.167) 0.612 3.081 ( 1.008 8.508 0.291) 8.572 3.220 ( 2.462 2.534 -2.870) 4.552 3.597 ( -0.569 -1.319 -2.981) 3.309 4.180 ( 0.871 2.074 0.753) 2.372 5.015 ( 9.720 7.716 -2.525) 12.665 5.311 ( 1.099 3.705 1.914) 4.312 5.526 ( 4.551 9.144 -1.353) 10.303 6.035 ( 10.081 -16.137 20.450) 27.933 7.316 ( -13.740 4.646 13.273) 19.661 8.243 ( -0.506 -1.595 4.528) 4.827 8.523 ( 7.262 -4.053 4.674) 9.540 9.537 ( 0.476 -5.789 4.009) 7.058 9.580 ( -2.060 -3.264 0.627) 3.911 9.963 ( -1.980 6.092 -2.895) 7.030 10.943 ( 0.022 -3.358 -2.629) 4.265 10.985 ( -1.303 -1.805 -2.670) 3.476 11.210 ( -0.066 -0.441 -5.429) 5.447 11.905 ( -1.496 1.381 11.563) 11.741 13.618 ( -0.626 0.416 -13.112) 13.134 15.268 ( -6.497 -3.304 2.170) 7.605 16.050 ( 0.141 -2.623 8.975) 9.352 16.566 ( -0.969 0.026 -3.585) 3.714 16.598 ( 9.762 -1.914 -2.096) 10.166 16.628 ( 3.906 -2.663 -11.172) 12.131 17.148 ( 13.782 -16.241 -1.137) 21.331 17.496 ( 8.371 -9.847 0.781) 12.948 17.888 ( -13.422 10.895 -0.940) 17.313 17.975 ( -0.505 1.110 -4.220) 4.393 18.120 ( -12.854 15.313 0.472) 19.998 18.456 ( -0.383 7.951 -0.089) 7.960 19.989 ( 1.896 2.895 -1.450) 3.752 ======================= Grid point 52 (29/112) ======================= q-point: ( 0.28 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.000 14.996 11.799) 19.082 1.932 ( -0.000 19.582 11.851) 22.889 2.748 ( 0.000 -1.545 -3.328) 3.669 2.750 ( -0.000 15.737 7.639) 17.493 2.885 ( -0.000 0.895 -2.721) 2.864 2.940 ( -0.000 3.173 -0.781) 3.268 3.508 ( 0.000 -1.699 -4.378) 4.696 3.971 ( -0.000 4.919 6.155) 7.879 4.122 ( -0.000 0.633 3.013) 3.079 4.395 ( -0.000 1.976 6.653) 6.940 5.074 ( -0.000 8.395 4.665) 9.604 5.358 ( -0.000 12.468 4.505) 13.256 7.611 ( 0.000 -22.856 40.701) 46.679 8.504 ( -0.000 -2.627 13.312) 13.569 8.641 ( -0.000 -1.724 11.629) 11.756 8.753 ( -0.000 0.348 21.953) 21.956 9.668 ( -0.000 1.323 0.410) 1.385 9.761 ( -0.000 -1.610 5.890) 6.106 9.927 ( -0.000 5.274 5.043) 7.297 10.744 ( 0.000 -0.224 -8.409) 8.412 10.812 ( 0.000 -0.213 -5.945) 5.949 10.938 ( 0.000 1.797 -7.285) 7.503 12.353 ( -0.000 7.513 10.366) 12.802 12.952 ( 0.000 -4.266 -19.809) 20.263 15.912 ( 0.000 -11.072 1.390) 11.158 16.115 ( 0.000 -3.220 -2.253) 3.930 16.302 ( 0.000 -8.045 -6.507) 10.347 16.402 ( 0.000 -5.916 -2.296) 6.346 16.827 ( 0.000 -2.009 -3.074) 3.673 16.978 ( 0.000 -19.466 9.197) 21.529 17.265 ( 0.000 -4.742 -12.370) 13.248 17.623 ( 0.000 2.794 -12.157) 12.474 17.780 ( -0.000 14.201 0.167) 14.202 18.178 ( -0.000 10.784 -0.313) 10.789 18.284 ( -0.000 9.183 4.771) 10.348 19.468 ( -0.000 17.723 -7.283) 19.161 ======================= Grid point 53 (30/112) ======================= q-point: ( 0.28 -0.05 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.879 15.005 8.237) 17.357 2.400 ( 6.553 16.971 5.170) 18.912 2.707 ( -1.634 -2.056 -2.261) 3.465 2.903 ( -0.087 -1.182 -1.226) 1.705 2.969 ( -0.013 4.445 -0.941) 4.543 3.018 ( 1.158 3.865 -1.925) 4.471 3.453 ( -2.116 -1.955 -4.498) 5.342 3.745 ( -24.757 8.864 9.107) 27.828 4.198 ( 1.127 2.621 1.177) 3.086 4.722 ( 10.572 8.242 0.284) 13.409 5.332 ( 6.092 8.810 3.183) 11.174 5.552 ( -1.181 7.292 2.480) 7.792 7.264 ( 7.972 -16.786 45.901) 49.520 8.347 ( -8.153 1.602 18.811) 20.564 8.597 ( -0.289 -2.029 12.150) 12.321 8.738 ( 1.550 -8.233 13.005) 15.470 9.619 ( -2.801 -0.546 2.900) 4.069 9.784 ( 3.718 -2.081 6.848) 8.065 10.011 ( -1.645 4.283 3.757) 5.931 10.752 ( 1.232 -0.604 -7.288) 7.416 10.813 ( 0.983 -0.432 -5.957) 6.053 10.914 ( -1.239 -2.297 -4.449) 5.158 12.504 ( -0.791 7.086 11.924) 13.893 12.897 ( -0.675 -0.159 -20.555) 20.567 15.591 ( -8.053 -6.662 4.725) 11.470 16.086 ( -0.848 -6.409 -7.945) 10.243 16.129 ( 4.057 -6.830 -5.347) 9.576 16.402 ( 7.207 -0.964 0.626) 7.298 16.596 ( -2.305 -6.784 5.011) 8.743 16.862 ( 5.997 -12.707 -3.074) 14.383 17.211 ( 7.157 -6.471 -7.645) 12.311 17.693 ( -0.059 3.345 -9.715) 10.275 17.997 ( -4.115 10.186 -1.856) 11.141 18.331 ( -7.601 13.926 -1.051) 15.900 18.464 ( -2.446 9.612 -0.210) 9.921 19.780 ( 2.980 8.423 -6.652) 11.139 ======================= Grid point 54 (31/112) ======================= q-point: ( 0.28 -0.05 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -1.592 1.592 -0.767) 2.378 2.545 ( -2.161 2.161 8.624) 9.150 2.733 ( -3.869 3.869 0.052) 5.472 2.868 ( 1.307 -1.307 -1.990) 2.715 2.956 ( -0.307 0.307 1.295) 1.365 3.077 ( -1.063 1.063 -4.325) 4.579 3.400 ( -1.134 1.134 -4.913) 5.168 3.554 ( -21.301 21.301 9.775) 31.670 4.242 ( -0.613 0.613 0.655) 1.087 4.914 ( 0.273 -0.273 -3.979) 3.998 5.513 ( -2.465 2.465 3.333) 4.823 5.603 ( -1.004 1.004 0.702) 1.584 7.224 ( 11.708 -11.708 47.681) 50.474 8.306 ( -6.828 6.828 24.410) 26.251 8.569 ( 0.918 -0.918 12.588) 12.654 8.593 ( 6.114 -6.114 5.201) 10.090 9.584 ( -0.668 0.668 4.007) 4.117 9.800 ( 2.992 -2.992 7.928) 8.987 10.035 ( -2.661 2.661 2.999) 4.813 10.760 ( 0.922 -0.922 -7.869) 7.977 10.832 ( 1.733 -1.733 3.223) 4.049 10.856 ( 0.281 -0.281 -9.496) 9.504 12.571 ( -3.944 3.944 12.769) 13.934 12.896 ( -1.037 1.037 -21.080) 21.131 15.434 ( -1.474 1.474 6.160) 6.503 15.996 ( 1.849 -1.849 -10.124) 10.456 16.106 ( 5.981 -5.981 -5.420) 10.046 16.509 ( 1.944 -1.944 3.752) 4.651 16.533 ( 5.963 -5.963 2.199) 8.715 16.725 ( 8.273 -8.273 -5.191) 12.799 17.233 ( 8.464 -8.464 -5.675) 13.247 17.729 ( -1.314 1.314 -8.545) 8.745 18.047 ( -8.754 8.754 -2.441) 12.618 18.405 ( -11.024 11.024 0.050) 15.590 18.538 ( -6.215 6.215 -3.327) 9.398 19.895 ( -1.425 1.425 -6.173) 6.494 ======================= Grid point 58 (32/112) ======================= q-point: ( 0.28 -0.05 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -8.478 8.478 20.635) 23.865 1.767 ( -12.529 12.529 13.165) 22.074 2.547 ( -10.243 10.243 12.296) 19.001 2.775 ( 0.552 -0.552 -2.597) 2.712 2.876 ( -1.039 1.039 -3.625) 3.911 2.908 ( -1.539 1.539 -0.525) 2.238 3.526 ( 0.953 -0.953 -4.365) 4.568 3.799 ( 7.216 -7.216 9.092) 13.668 4.139 ( -0.202 0.202 1.287) 1.318 4.480 ( -2.974 2.974 5.899) 7.245 5.023 ( -6.279 6.279 5.793) 10.603 5.166 ( -7.890 7.890 5.584) 12.478 7.952 ( 10.497 -10.497 40.220) 42.872 8.387 ( 7.130 -7.130 17.279) 20.006 8.659 ( 0.859 -0.859 11.633) 11.697 8.821 ( -5.875 5.875 16.400) 18.384 9.615 ( 0.280 -0.280 2.809) 2.837 9.823 ( -1.319 1.319 4.788) 5.139 9.840 ( -1.756 1.756 4.216) 4.893 10.760 ( -0.801 0.801 -11.487) 11.542 10.809 ( 0.094 -0.094 -4.210) 4.212 10.896 ( -2.415 2.415 -5.221) 6.239 12.266 ( -3.526 3.526 9.740) 10.942 13.009 ( 3.883 -3.883 -20.072) 20.809 15.956 ( 9.680 -9.680 1.568) 13.780 16.229 ( -2.185 2.185 -3.633) 4.769 16.423 ( 6.486 -6.486 -6.244) 11.096 16.450 ( 4.152 -4.152 -5.962) 8.368 16.819 ( 4.489 -4.489 0.107) 6.349 17.294 ( -2.665 2.665 -11.852) 12.437 17.396 ( 0.877 -0.877 0.926) 1.548 17.592 ( -8.176 8.176 1.059) 11.611 17.640 ( 4.793 -4.793 -10.076) 12.144 17.899 ( 0.781 -0.781 3.067) 3.260 18.185 ( -3.252 3.252 7.896) 9.137 19.247 ( -16.338 16.338 -6.900) 24.114 ======================= Grid point 59 (33/112) ======================= q-point: ( 0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -0.000 5.388 1.270) 5.535 2.475 ( -0.000 6.197 2.330) 6.621 2.577 ( 0.000 -0.997 -2.912) 3.078 2.780 ( -0.000 0.969 -2.348) 2.540 2.945 ( -0.000 0.991 -1.078) 1.464 2.996 ( -0.000 2.174 0.007) 2.174 3.334 ( 0.000 -0.564 -2.274) 2.343 4.228 ( -0.000 1.223 0.704) 1.411 4.228 ( -0.000 2.904 2.548) 3.863 4.761 ( -0.000 5.726 4.480) 7.271 5.364 ( -0.000 4.782 1.834) 5.121 5.647 ( -0.000 3.271 1.344) 3.537 8.618 ( 0.000 -6.500 16.953) 18.157 8.788 ( 0.000 -3.996 5.362) 6.687 9.193 ( -0.000 -1.618 16.907) 16.984 9.619 ( 0.000 -8.192 21.591) 23.093 9.895 ( -0.000 0.758 -1.148) 1.376 9.979 ( -0.000 -1.574 13.538) 13.629 10.130 ( -0.000 4.951 2.077) 5.369 10.223 ( 0.000 0.775 -15.738) 15.757 10.888 ( -0.000 0.452 7.171) 7.185 11.033 ( -0.000 0.064 10.494) 10.494 12.116 ( 0.000 0.613 -15.287) 15.300 12.582 ( -0.000 7.009 -10.452) 12.584 15.714 ( 0.000 -7.044 -1.210) 7.147 15.917 ( 0.000 -8.077 0.417) 8.088 16.142 ( 0.000 -3.733 5.388) 6.555 16.372 ( -0.000 5.491 -1.762) 5.767 16.595 ( 0.000 -0.374 -7.193) 7.203 16.738 ( 0.000 -11.866 -0.570) 11.879 16.883 ( 0.000 -7.195 -0.110) 7.196 17.298 ( -0.000 7.313 -8.455) 11.179 17.931 ( -0.000 5.715 -2.229) 6.134 18.314 ( -0.000 6.535 -2.127) 6.872 18.623 ( -0.000 -0.337 7.128) 7.136 19.361 ( -0.000 10.535 -12.067) 16.019 ======================= Grid point 60 (34/112) ======================= q-point: ( 0.44 -0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -0.852 3.832 -2.450) 4.628 2.625 ( 3.426 1.931 -1.585) 4.240 2.654 ( 5.805 4.535 -1.281) 7.477 2.760 ( -0.789 -2.932 -2.636) 4.021 2.929 ( -1.238 -2.302 -2.034) 3.312 2.986 ( 0.212 -1.566 -1.421) 2.125 3.322 ( -2.489 2.240 -1.500) 3.669 4.209 ( -9.322 7.181 3.839) 12.378 4.254 ( 0.334 0.632 -0.096) 0.722 4.821 ( -6.436 6.750 -2.105) 9.561 5.528 ( 5.872 3.084 -0.187) 6.635 5.654 ( -0.773 -1.988 -0.258) 2.148 8.568 ( 3.037 -2.559 17.742) 18.181 8.736 ( 2.962 -3.632 6.560) 8.062 9.166 ( 0.520 -1.316 17.131) 17.189 9.436 ( 0.778 -8.618 29.272) 30.525 9.911 ( -0.154 1.143 -1.021) 1.540 9.942 ( -1.268 -0.386 5.014) 5.186 10.237 ( 0.173 0.684 -13.733) 13.752 10.246 ( -0.566 5.142 7.354) 8.991 10.772 ( -7.712 1.834 4.404) 9.068 11.129 ( 7.173 -3.234 10.583) 13.188 12.134 ( -1.119 1.852 -14.554) 14.714 12.683 ( -2.578 5.226 -12.742) 14.011 15.604 ( 0.707 -4.148 3.309) 5.353 15.800 ( 4.209 -7.109 -0.430) 8.273 16.049 ( -0.835 -2.629 8.653) 9.082 16.396 ( 2.091 -4.069 -4.448) 6.381 16.569 ( 2.050 -4.612 1.012) 5.148 16.623 ( 0.896 0.418 -0.962) 1.379 16.832 ( 2.294 -2.806 -2.026) 4.152 17.426 ( -2.415 6.444 -6.761) 9.647 18.009 ( -1.788 3.535 -4.317) 5.859 18.417 ( -2.792 6.823 -5.815) 9.390 18.596 ( -1.698 -0.444 3.050) 3.519 19.521 ( -0.472 4.902 -13.050) 13.949 ======================= Grid point 63 (35/112) ======================= q-point: ( 0.44 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -3.389 3.826 4.032) 6.510 2.430 ( -5.072 7.208 9.089) 12.661 2.641 ( 1.399 2.932 -2.279) 3.968 2.746 ( -2.956 0.690 -2.652) 4.031 2.838 ( -7.273 -2.549 -0.773) 7.746 2.956 ( -1.622 2.212 -0.152) 2.747 3.347 ( 2.444 -1.701 -2.461) 3.863 4.076 ( 2.092 -10.257 8.451) 13.454 4.215 ( -1.035 0.850 1.248) 1.830 4.676 ( 0.483 -2.306 2.223) 3.239 5.370 ( -4.272 8.218 4.855) 10.457 5.542 ( -7.152 0.987 3.660) 8.094 8.774 ( 5.700 0.742 9.292) 10.926 8.855 ( 1.943 -0.257 5.298) 5.649 9.218 ( 1.072 -0.390 16.723) 16.762 9.755 ( 5.435 0.544 14.888) 15.858 9.857 ( -1.240 -2.416 4.236) 5.032 10.004 ( 2.913 -0.979 18.195) 18.453 10.061 ( -2.029 -0.785 4.006) 4.559 10.213 ( -0.905 0.665 -15.951) 15.990 10.761 ( 1.225 -6.981 4.103) 8.190 11.134 ( -3.389 7.943 11.611) 14.470 12.114 ( 1.189 -1.011 -16.774) 16.847 12.447 ( -5.380 0.617 -8.593) 10.157 15.882 ( 8.635 0.757 -0.817) 8.706 16.068 ( 6.004 -0.647 -3.658) 7.061 16.103 ( -0.038 -7.615 0.824) 7.660 16.260 ( -4.273 0.757 -0.793) 4.412 16.634 ( -0.260 2.410 -7.104) 7.506 16.850 ( -3.072 4.736 -9.312) 10.890 17.157 ( 4.769 -1.949 -8.043) 9.551 17.238 ( 11.570 -0.019 -0.023) 11.570 17.820 ( -5.438 1.212 1.507) 5.772 18.128 ( -5.435 -4.831 2.825) 7.801 18.631 ( 1.254 -0.651 12.594) 12.673 19.171 ( -12.922 6.600 -11.638) 18.600 ======================= Grid point 65 (36/112) ======================= q-point: (-0.40 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.000 2.607 -3.745) 4.563 2.466 ( 0.000 -1.054 -3.878) 4.019 2.569 ( -0.000 2.093 0.980) 2.311 2.712 ( 0.000 -2.711 0.408) 2.741 2.897 ( 0.000 -3.240 -0.506) 3.279 2.914 ( 0.000 -6.399 -1.018) 6.479 3.332 ( -0.000 1.978 0.862) 2.158 4.228 ( 0.000 -0.431 -0.932) 1.027 4.267 ( -0.000 1.057 -2.809) 3.001 4.833 ( -0.000 3.017 -4.939) 5.788 5.354 ( 0.000 -1.817 -3.694) 4.116 5.595 ( 0.000 -5.889 -2.619) 6.445 8.858 ( -0.000 1.988 0.043) 1.988 8.887 ( -0.000 0.789 0.937) 1.225 9.565 ( 0.000 1.014 -17.296) 17.325 9.848 ( -0.000 -0.225 7.025) 7.028 9.872 ( 0.000 0.295 -1.735) 1.760 9.880 ( -0.000 -0.680 10.880) 10.901 10.076 ( 0.000 -3.354 -1.143) 3.544 10.469 ( -0.000 10.387 -10.882) 15.044 11.001 ( 0.000 -0.234 -3.901) 3.909 11.206 ( 0.000 -2.612 -5.187) 5.808 11.974 ( 0.000 -0.034 -6.442) 6.442 12.204 ( -0.000 -3.507 13.595) 14.041 15.769 ( -0.000 4.340 5.681) 7.149 15.991 ( -0.000 0.042 7.230) 7.230 16.225 ( 0.000 -3.437 -2.895) 4.494 16.295 ( 0.000 0.626 -5.796) 5.830 16.420 ( -0.000 -1.815 8.956) 9.138 16.660 ( 0.000 -7.859 5.178) 9.412 17.034 ( -0.000 4.107 6.116) 7.367 17.298 ( -0.000 16.805 -2.881) 17.050 17.851 ( 0.000 -2.619 -3.219) 4.150 18.255 ( 0.000 -0.711 -3.461) 3.534 18.803 ( 0.000 -6.789 2.625) 7.279 18.982 ( 0.000 -2.979 -7.227) 7.817 ======================= Grid point 66 (37/112) ======================= q-point: (-0.40 -0.06 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -2.407 2.407 -5.032) 6.075 2.564 ( 3.434 -3.434 -8.950) 10.183 2.629 ( 0.737 -0.737 0.367) 1.105 2.683 ( 0.047 -0.047 0.431) 0.436 2.690 ( 1.796 -1.796 1.042) 2.745 2.897 ( 4.388 -4.388 -0.634) 6.238 3.352 ( -1.236 1.236 0.892) 1.963 4.226 ( 0.387 -0.387 -1.190) 1.310 4.264 ( -2.691 2.691 -4.572) 5.948 4.843 ( -7.323 7.323 -4.973) 11.488 5.402 ( 4.279 -4.279 -5.587) 8.236 5.481 ( 4.985 -4.985 -3.778) 7.998 8.877 ( -0.769 0.769 2.381) 2.617 8.906 ( 0.356 -0.356 2.260) 2.315 9.576 ( -0.431 0.431 -17.191) 17.202 9.837 ( -0.653 0.653 6.686) 6.749 9.866 ( 0.258 -0.258 10.809) 10.816 9.893 ( 0.887 -0.887 -0.705) 1.439 10.042 ( 1.425 -1.425 -0.842) 2.184 10.628 ( -6.724 6.724 -11.508) 14.928 10.908 ( -4.111 4.111 -4.134) 7.134 11.224 ( 6.310 -6.310 -4.383) 9.942 11.974 ( -0.154 0.154 -7.125) 7.129 12.158 ( 1.120 -1.120 11.619) 11.726 15.893 ( -0.288 0.288 10.980) 10.988 15.902 ( 0.121 -0.121 8.514) 8.516 16.181 ( -2.822 2.822 -3.683) 5.431 16.317 ( 0.509 -0.509 -5.810) 5.854 16.410 ( 2.998 -2.998 9.470) 10.376 16.558 ( 6.415 -6.415 6.620) 11.231 17.077 ( -2.901 2.901 4.379) 6.001 17.544 ( -12.823 12.823 1.708) 18.215 17.821 ( 1.581 -1.581 -5.502) 5.938 18.209 ( -1.840 1.840 -7.138) 7.597 18.696 ( 11.454 -11.454 8.230) 18.170 18.970 ( -1.495 1.495 -16.445) 16.580 ======================= Grid point 68 (38/112) ======================= q-point: (-0.40 -0.06 0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 0.992 1.907 0.178) 2.157 2.573 ( 1.628 6.251 -0.913) 6.524 2.588 ( -0.248 5.292 0.963) 5.384 2.761 ( 0.300 1.344 0.815) 1.600 2.915 ( 0.408 -1.261 0.354) 1.372 2.996 ( 0.989 -0.253 -0.085) 1.024 3.270 ( -0.417 -3.286 0.821) 3.413 4.200 ( 1.243 -5.996 -3.054) 6.843 4.245 ( 0.343 0.721 -0.213) 0.827 4.692 ( 1.343 -10.641 0.732) 10.751 5.489 ( 1.402 7.638 -0.927) 7.821 5.669 ( 0.954 0.309 -0.590) 1.163 8.826 ( -1.777 0.957 -3.601) 4.128 8.885 ( -1.372 2.027 -2.243) 3.320 9.542 ( -1.186 0.163 -17.584) 17.625 9.827 ( 0.575 -1.451 1.765) 2.356 9.891 ( -0.268 1.298 3.800) 4.025 9.900 ( 0.029 0.599 8.838) 8.859 10.139 ( -2.071 2.195 -3.230) 4.420 10.334 ( 0.913 -0.391 -10.700) 10.746 10.858 ( 0.189 -10.970 -4.238) 11.762 11.340 ( -0.743 7.883 -4.547) 9.131 11.972 ( 0.468 -0.856 -4.422) 4.528 12.258 ( 3.298 -1.784 17.877) 18.266 15.736 ( -2.883 3.829 -0.310) 4.803 15.935 ( -3.531 -0.738 -0.666) 3.668 16.223 ( 2.743 -3.888 -4.410) 6.487 16.306 ( -0.926 -0.790 0.079) 1.220 16.501 ( 0.951 4.285 6.611) 7.935 16.754 ( -2.751 2.508 0.662) 3.781 16.912 ( -6.178 0.225 -0.965) 6.257 17.145 ( 4.623 -2.130 4.319) 6.676 17.901 ( 1.664 0.101 0.650) 1.789 18.236 ( 2.758 -4.024 0.856) 4.953 18.817 ( -4.460 1.505 -11.217) 12.165 19.125 ( 6.941 0.721 12.506) 14.322 ======================= Grid point 69 (39/112) ======================= q-point: (-0.40 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -0.789 0.789 1.397) 1.788 2.695 ( -2.814 2.814 0.131) 3.981 2.711 ( -2.427 2.427 1.109) 3.608 2.762 ( -2.608 2.608 -0.600) 3.737 2.872 ( -3.018 3.018 3.843) 5.744 2.963 ( 0.615 -0.615 0.100) 0.875 3.237 ( 4.266 -4.266 0.044) 6.034 4.139 ( 5.899 -5.899 -4.356) 9.411 4.258 ( -0.384 0.384 0.198) 0.578 4.574 ( 7.976 -7.976 4.927) 12.309 5.622 ( -2.506 2.506 0.655) 3.605 5.649 ( -1.692 1.692 0.244) 2.406 8.820 ( -1.528 1.528 -4.843) 5.303 8.900 ( -2.184 2.184 -3.473) 4.648 9.531 ( -0.767 0.767 -17.714) 17.747 9.822 ( 1.256 -1.256 2.969) 3.460 9.892 ( -2.124 2.124 -8.111) 8.649 9.908 ( 0.214 -0.214 17.170) 17.173 10.109 ( -4.179 4.179 -7.801) 9.787 10.423 ( 3.132 -3.132 -7.700) 8.883 10.694 ( 6.978 -6.978 -3.378) 10.430 11.421 ( -5.053 5.053 -4.905) 8.667 11.964 ( 1.183 -1.183 -2.616) 3.105 12.270 ( 2.830 -2.830 20.040) 20.436 15.772 ( -3.665 3.665 -6.940) 8.662 15.866 ( -2.300 2.300 -0.498) 3.291 16.220 ( 2.357 -2.357 -9.428) 10.000 16.259 ( 0.176 -0.176 7.950) 7.954 16.562 ( -1.648 1.648 5.485) 5.960 16.735 ( -7.182 7.182 -2.710) 10.512 16.855 ( 0.124 -0.124 -2.138) 2.145 17.206 ( 6.626 -6.626 5.379) 10.805 17.915 ( 0.772 -0.772 1.538) 1.886 18.225 ( 3.797 -3.797 5.299) 7.545 18.776 ( -3.181 3.181 -12.477) 13.264 19.206 ( 2.090 -2.090 15.498) 15.778 ======================= Grid point 72 (40/112) ======================= q-point: (-0.24 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 -5.448 -16.210) 17.101 1.953 ( 0.000 -8.060 -17.087) 18.893 2.643 ( 0.000 -8.050 -5.348) 9.664 2.718 ( -0.000 1.898 3.302) 3.809 2.816 ( 0.000 -1.180 2.561) 2.820 2.843 ( 0.000 -3.249 2.418) 4.050 3.454 ( -0.000 1.033 3.620) 3.765 4.049 ( 0.000 -1.370 -7.591) 7.713 4.164 ( 0.000 0.056 -1.497) 1.498 4.626 ( -0.000 7.702 -8.936) 11.797 5.066 ( 0.000 -3.741 -6.429) 7.438 5.211 ( 0.000 -12.694 -6.246) 14.148 8.666 ( -0.000 12.336 -18.972) 22.630 8.783 ( 0.000 1.774 -9.113) 9.285 8.929 ( 0.000 0.836 -14.475) 14.499 9.273 ( 0.000 -0.381 -39.207) 39.209 9.731 ( 0.000 0.888 -6.893) 6.950 9.865 ( 0.000 0.013 -2.623) 2.623 9.924 ( 0.000 -4.687 -3.702) 5.972 10.494 ( -0.000 -0.546 14.135) 14.145 10.786 ( 0.000 0.233 -1.772) 1.787 10.821 ( 0.000 -2.763 -1.434) 3.112 12.363 ( 0.000 -4.750 -3.038) 5.639 12.609 ( -0.000 3.604 23.196) 23.474 16.085 ( -0.000 5.079 0.756) 5.135 16.129 ( -0.000 0.629 0.352) 0.721 16.342 ( -0.000 8.112 6.711) 10.528 16.401 ( -0.000 4.192 8.320) 9.316 16.739 ( -0.000 -1.124 7.508) 7.592 16.966 ( -0.000 -4.388 15.231) 15.850 17.302 ( -0.000 -0.346 6.204) 6.214 17.574 ( 0.000 -8.874 -4.517) 9.958 17.649 ( -0.000 24.687 -2.549) 24.819 18.054 ( 0.000 -4.369 -3.283) 5.465 18.363 ( 0.000 -1.668 -12.597) 12.707 18.898 ( 0.000 -22.241 8.302) 23.740 ======================= Grid point 74 (41/112) ======================= q-point: (-0.24 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 7.498 7.405 -10.178) 14.651 2.228 ( 12.603 5.650 -9.369) 16.690 2.694 ( -1.579 1.551 2.894) 3.643 2.809 ( 3.904 1.680 2.994) 5.199 2.857 ( 6.133 -0.598 1.011) 6.244 2.953 ( 1.798 1.972 -0.548) 2.724 3.411 ( -2.202 -1.443 3.840) 4.655 3.886 ( -2.372 -15.842 -10.086) 18.930 4.186 ( 1.398 1.079 -1.559) 2.356 4.628 ( 3.169 5.025 -2.622) 6.494 5.266 ( 6.227 8.411 -5.290) 11.727 5.459 ( 8.954 0.967 -4.500) 10.068 8.405 ( -14.320 3.864 -29.889) 33.367 8.672 ( -0.508 -5.779 -13.580) 14.767 8.900 ( -1.359 -0.479 -14.680) 14.751 9.218 ( -4.728 -3.235 -25.385) 26.024 9.693 ( 0.443 -2.559 -5.955) 6.497 9.909 ( -0.427 3.324 -3.360) 4.745 10.006 ( 4.178 -1.423 -3.165) 5.431 10.517 ( 0.726 0.857 14.056) 14.100 10.738 ( -0.489 -2.535 1.731) 3.108 10.940 ( 2.053 4.637 -6.039) 7.886 12.502 ( 3.259 0.752 5.450) 6.395 12.518 ( 0.614 -0.987 13.286) 13.336 15.841 ( -8.532 -6.045 -3.830) 11.136 16.114 ( -6.278 -5.044 2.421) 8.409 16.158 ( -6.356 2.634 5.317) 8.695 16.324 ( 3.518 -1.225 4.236) 5.641 16.731 ( -2.646 -0.818 2.231) 3.556 17.070 ( -0.608 5.209 12.046) 13.138 17.199 ( -18.582 4.554 -0.908) 19.153 17.384 ( 4.328 0.669 11.402) 12.214 17.796 ( 8.337 0.317 -0.975) 8.399 18.083 ( 9.723 -6.295 -1.762) 11.716 18.416 ( 2.603 -0.675 -8.491) 8.906 19.389 ( 13.675 7.539 9.790) 18.431 ======================= Grid point 75 (42/112) ======================= q-point: (-0.24 -0.07 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 3.168 7.313 -1.103) 8.045 2.595 ( 10.172 5.143 -4.629) 12.303 2.724 ( -1.466 4.370 -1.740) 4.927 2.880 ( -2.756 1.493 2.858) 4.242 2.941 ( 1.313 0.515 1.628) 2.154 2.986 ( 2.863 -0.561 1.088) 3.114 3.298 ( -2.118 -3.848 4.484) 6.277 3.507 ( 5.682 -20.592 -14.517) 25.827 4.240 ( 1.065 0.851 -0.833) 1.598 4.772 ( 2.845 1.195 5.823) 6.590 5.526 ( 2.876 4.334 -3.727) 6.399 5.593 ( 3.872 0.522 -2.674) 4.735 8.319 ( -9.827 10.259 -32.310) 35.295 8.647 ( 6.525 -0.131 -20.587) 21.597 8.868 ( -1.056 -0.086 -15.266) 15.303 8.937 ( -9.368 -8.701 -19.903) 23.656 9.665 ( 1.368 -2.013 -6.633) 7.066 9.950 ( -1.094 2.125 -3.278) 4.057 10.031 ( 2.551 -2.287 -1.874) 3.905 10.546 ( 0.046 0.913 14.190) 14.219 10.691 ( 0.325 -1.613 5.808) 6.036 11.039 ( -0.708 3.406 -12.458) 12.934 12.461 ( -0.033 -0.854 20.606) 20.624 12.632 ( 4.472 -0.971 -1.567) 4.837 15.614 ( -4.479 -1.989 -8.321) 9.656 15.906 ( -1.894 -4.223 2.184) 5.118 16.098 ( -5.129 3.153 6.710) 9.015 16.438 ( 5.224 0.446 2.490) 5.804 16.648 ( -3.190 0.090 -0.365) 3.212 16.949 ( -15.126 7.831 2.845) 17.269 17.188 ( -3.182 6.291 10.664) 12.784 17.495 ( 3.059 0.713 11.573) 11.992 17.847 ( 7.071 -7.661 -0.527) 10.439 18.246 ( 10.174 -0.671 -3.008) 10.631 18.401 ( 1.221 -4.942 -2.037) 5.483 19.672 ( 4.604 2.431 10.141) 11.400 ======================= Grid point 78 (43/112) ======================= q-point: (-0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 0.000 -24.279) 24.279 0.959 ( 0.000 0.000 -24.279) 24.279 1.796 ( 0.000 0.000 -33.017) 33.017 2.825 ( -0.000 -0.000 1.221) 1.221 2.904 ( -0.000 -0.000 1.078) 1.078 2.904 ( -0.000 -0.000 1.078) 1.078 3.629 ( -0.000 -0.000 3.850) 3.850 3.684 ( 0.000 0.000 -7.869) 7.869 4.131 ( 0.000 0.000 -0.393) 0.393 4.428 ( 0.000 0.000 -6.422) 6.422 4.794 ( 0.000 0.000 -4.461) 4.461 4.794 ( 0.000 0.000 -4.461) 4.461 7.532 ( 0.000 0.000 -31.477) 31.477 8.260 ( 0.000 0.000 -14.365) 14.365 8.260 ( 0.000 0.000 -14.365) 14.365 8.480 ( 0.000 0.000 -7.938) 7.938 9.516 ( 0.000 0.000 -3.420) 3.420 9.731 ( 0.000 0.000 -2.465) 2.465 9.731 ( 0.000 0.000 -2.465) 2.465 10.893 ( -0.000 -0.000 4.173) 4.173 10.893 ( -0.000 -0.000 4.173) 4.173 10.943 ( -0.000 -0.000 8.010) 8.010 11.990 ( 0.000 0.000 -9.830) 9.830 13.482 ( -0.000 -0.000 15.370) 15.370 16.243 ( -0.000 -0.000 4.166) 4.166 16.243 ( -0.000 -0.000 4.166) 4.166 16.679 ( -0.000 -0.000 1.799) 1.799 16.679 ( -0.000 -0.000 1.799) 1.799 16.977 ( -0.000 -0.000 4.936) 4.936 17.251 ( 0.000 0.000 -4.027) 4.027 17.457 ( -0.000 -0.000 8.336) 8.336 17.669 ( -0.000 -0.000 11.399) 11.399 17.884 ( 0.000 0.000 -1.917) 1.917 17.884 ( 0.000 0.000 -1.917) 1.917 17.968 ( 0.000 0.000 -3.839) 3.839 18.679 ( 0.000 0.000 -2.815) 2.815 ======================= Grid point 79 (44/112) ======================= q-point: (-0.08 -0.08 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 10.905 10.905 -20.415) 25.586 1.482 ( 15.135 15.135 -16.149) 26.813 2.208 ( 19.078 19.078 -20.244) 33.731 2.819 ( -0.386 -0.386 1.766) 1.848 2.911 ( 0.254 0.254 -0.329) 0.487 2.940 ( 2.124 2.124 2.640) 3.999 3.611 ( -0.911 -0.911 3.861) 4.070 3.628 ( -7.982 -7.982 -7.689) 13.658 4.119 ( -0.135 -0.135 -0.781) 0.804 4.373 ( 5.779 5.779 -4.554) 9.356 4.920 ( 6.516 6.516 -4.386) 10.205 5.064 ( 8.229 8.229 -4.420) 12.449 7.214 ( -11.617 -11.617 -31.174) 35.239 8.039 ( -9.209 -9.209 -16.351) 20.904 8.459 ( -1.022 -1.022 -8.121) 8.249 8.512 ( 7.867 7.867 -14.512) 18.287 9.587 ( 1.464 1.464 -0.133) 2.074 9.741 ( 1.458 1.458 -3.309) 3.899 9.789 ( 0.899 0.899 -0.310) 1.309 10.899 ( 0.260 0.260 4.277) 4.293 10.960 ( 0.943 0.943 8.247) 8.354 11.068 ( 3.208 3.208 11.945) 12.778 12.046 ( 2.456 2.456 -11.201) 11.727 13.368 ( -3.661 -3.661 15.544) 16.384 15.930 ( -12.781 -12.781 -1.060) 18.107 16.316 ( 2.786 2.786 4.517) 5.994 16.540 ( -4.968 -4.968 5.368) 8.841 16.555 ( -2.795 -2.795 4.524) 6.008 16.725 ( -11.594 -11.594 -9.981) 19.196 17.335 ( 1.571 1.571 -4.128) 4.689 17.416 ( 3.237 3.237 0.325) 4.589 17.657 ( 8.276 8.276 7.095) 13.687 17.851 ( -1.032 -1.032 -1.630) 2.188 17.901 ( -2.477 -2.477 14.790) 15.199 18.060 ( 4.550 4.550 -4.669) 7.950 19.381 ( 17.496 17.496 7.186) 25.765 ======================= Grid point 80 (45/112) ======================= q-point: (-0.08 -0.08 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 15.708 15.708 -15.089) 26.854 2.002 ( 11.679 11.679 -18.153) 24.543 2.753 ( -1.909 -1.909 -0.230) 2.710 2.877 ( 7.437 7.437 -1.598) 10.638 2.929 ( 2.519 2.519 -0.681) 3.627 3.027 ( -4.658 -4.658 -0.902) 6.650 3.133 ( -8.160 -8.160 -3.601) 12.088 3.554 ( -1.922 -1.922 4.343) 5.124 4.159 ( 1.942 1.942 -1.232) 3.010 4.785 ( 10.738 10.738 1.104) 15.225 5.302 ( 11.052 11.052 -2.426) 15.816 5.312 ( 3.698 3.698 -3.838) 6.487 6.825 ( -6.110 -6.110 -34.652) 35.713 7.684 ( -7.039 -7.039 -20.306) 22.615 8.406 ( -1.413 -1.413 -8.544) 8.774 8.699 ( 0.861 0.861 -9.144) 9.225 9.579 ( -0.866 -0.866 0.500) 1.323 9.766 ( -1.511 -1.511 -6.107) 6.471 9.838 ( 2.176 2.176 -0.012) 3.078 10.910 ( 0.239 0.239 4.520) 4.533 10.956 ( -2.631 -2.631 5.475) 6.619 11.052 ( -0.642 -0.642 9.741) 9.784 12.144 ( 1.978 1.978 -14.301) 14.572 13.288 ( -0.586 -0.586 18.353) 18.371 15.460 ( -9.103 -9.103 -4.265) 13.561 16.312 ( -2.839 -2.839 -7.539) 8.541 16.365 ( -2.409 -2.409 13.489) 13.913 16.473 ( -1.449 -1.449 6.279) 6.605 16.604 ( 3.437 3.437 -1.726) 5.158 17.358 ( -2.419 -2.419 2.941) 4.511 17.540 ( 3.191 3.191 1.939) 4.911 17.763 ( -1.767 -1.767 2.338) 3.422 17.842 ( 0.415 0.415 7.785) 7.807 17.903 ( 2.483 2.483 -0.409) 3.535 18.309 ( 6.259 6.259 -0.867) 8.894 19.838 ( 6.566 6.566 4.582) 10.354 ======================= Grid point 81 (46/112) ======================= q-point: (-0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 0.000 -21.475) 21.475 2.399 ( 0.000 0.000 -5.805) 5.805 2.417 ( -0.000 -0.000 -17.213) 17.213 2.629 ( -0.000 -0.000 1.647) 1.647 2.914 ( -0.000 -0.000 0.140) 0.140 3.087 ( 0.000 0.000 1.189) 1.189 3.156 ( 0.000 0.000 5.396) 5.396 3.498 ( 0.000 0.000 5.606) 5.606 4.209 ( 0.000 0.000 -1.110) 1.110 5.033 ( 0.000 0.000 4.929) 4.929 5.369 ( 0.000 0.000 -3.970) 3.970 5.561 ( 0.000 0.000 0.104) 0.104 6.742 ( 0.000 0.000 -37.158) 37.158 7.541 ( 0.000 0.000 -22.613) 22.613 8.372 ( 0.000 0.000 -8.823) 8.823 8.668 ( 0.000 0.000 -3.727) 3.727 9.559 ( -0.000 -0.000 0.317) 0.317 9.727 ( -0.000 -0.000 -12.008) 12.008 9.881 ( -0.000 -0.000 1.884) 1.884 10.869 ( 0.000 0.000 2.549) 2.549 10.915 ( 0.000 0.000 4.678) 4.678 11.056 ( 0.000 0.000 9.634) 9.634 12.185 ( -0.000 -0.000 -16.087) 16.087 13.282 ( 0.000 0.000 18.948) 18.948 15.272 ( -0.000 -0.000 -4.870) 4.870 16.254 ( 0.000 0.000 -9.544) 9.544 16.318 ( -0.000 -0.000 16.494) 16.494 16.443 ( 0.000 0.000 6.712) 6.712 16.716 ( -0.000 -0.000 1.376) 1.376 17.259 ( 0.000 0.000 5.208) 5.208 17.654 ( -0.000 -0.000 4.476) 4.476 17.676 ( 0.000 0.000 -0.743) 0.743 17.869 ( 0.000 0.000 3.944) 3.944 17.950 ( -0.000 -0.000 -1.259) 1.259 18.446 ( -0.000 -0.000 1.103) 1.103 19.964 ( 0.000 0.000 3.375) 3.375 ======================= Grid point 85 (47/112) ======================= q-point: ( 0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -0.000 24.345 -0.000) 24.345 0.767 ( -0.000 37.814 -0.000) 37.814 1.124 ( -0.000 55.023 -0.000) 55.023 2.854 ( -0.000 0.635 -0.000) 0.635 2.925 ( -0.000 1.273 -0.000) 1.273 2.929 ( -0.000 1.610 -0.000) 1.610 3.562 ( -0.000 5.277 -0.000) 5.277 3.706 ( 0.000 -0.944 0.000) 0.944 4.084 ( 0.000 -6.001 0.000) 6.001 4.214 ( 0.000 -2.096 0.000) 2.096 4.751 ( -0.000 5.318 -0.000) 5.318 4.886 ( -0.000 14.508 -0.000) 14.508 6.703 ( 0.000 -18.774 0.000) 18.774 7.923 ( 0.000 -0.559 0.000) 0.559 7.938 ( -0.000 0.508 -0.000) 0.508 8.306 ( 0.000 -1.275 0.000) 1.275 9.555 ( -0.000 9.444 -0.000) 9.444 9.662 ( 0.000 -2.549 0.000) 2.549 9.892 ( 0.000 -2.332 0.000) 2.332 10.975 ( 0.000 -1.174 0.000) 1.174 11.122 ( -0.000 1.083 -0.000) 1.083 11.723 ( 0.000 -4.550 0.000) 4.550 11.869 ( 0.000 -2.136 0.000) 2.136 13.798 ( 0.000 -0.089 0.000) 0.089 16.051 ( 0.000 -1.844 0.000) 1.844 16.170 ( 0.000 -15.495 0.000) 15.495 16.319 ( 0.000 -6.862 0.000) 6.862 16.679 ( -0.000 0.084 -0.000) 0.084 16.683 ( -0.000 0.405 -0.000) 0.405 16.991 ( 0.000 -8.019 0.000) 8.019 17.379 ( -0.000 17.309 -0.000) 17.309 17.661 ( -0.000 7.837 -0.000) 7.837 17.959 ( -0.000 10.019 -0.000) 10.019 17.972 ( -0.000 0.768 -0.000) 0.768 18.418 ( 0.000 -7.418 0.000) 7.418 19.669 ( -0.000 5.861 -0.000) 5.861 ======================= Grid point 86 (48/112) ======================= q-point: ( 0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 7.792 21.721 -0.000) 23.077 1.299 ( -8.742 37.961 -0.000) 38.954 2.457 ( 21.508 31.986 -0.000) 38.544 2.857 ( -5.236 -0.518 -0.000) 5.262 2.878 ( 0.911 0.623 0.000) 1.103 3.080 ( 5.379 4.313 0.000) 6.895 3.314 ( -23.834 -4.298 -0.000) 24.218 3.671 ( -0.712 -1.647 0.000) 1.794 4.096 ( 2.588 0.839 0.000) 2.720 4.471 ( 18.999 10.856 0.000) 21.882 4.997 ( 8.702 10.142 -0.000) 13.364 5.201 ( 0.938 13.815 -0.000) 13.846 6.207 ( -0.988 -24.705 0.000) 24.725 7.528 ( -19.199 -3.067 -0.000) 19.443 8.258 ( 13.750 1.444 0.000) 13.825 8.259 ( -1.016 -2.216 0.000) 2.438 9.601 ( 0.826 -4.180 0.000) 4.261 9.784 ( -3.588 -6.019 0.000) 7.008 9.809 ( 2.051 10.888 -0.000) 11.079 10.976 ( 2.100 -1.580 0.000) 2.628 11.134 ( -0.435 -0.769 0.000) 0.883 11.446 ( -9.131 -10.171 0.000) 13.668 11.808 ( -2.575 1.501 -0.000) 2.980 13.785 ( -0.879 -0.339 -0.000) 0.942 15.624 ( -14.482 -12.352 -0.000) 19.034 15.995 ( -0.714 -2.453 0.000) 2.554 16.390 ( 13.398 -4.437 0.000) 14.114 16.642 ( -1.926 -0.364 -0.000) 1.961 16.732 ( 2.039 0.792 0.000) 2.187 17.059 ( 20.345 -13.047 0.000) 24.169 17.548 ( -5.948 6.528 -0.000) 8.832 17.975 ( 8.335 -1.164 0.000) 8.416 17.996 ( 0.310 1.142 -0.000) 1.183 18.026 ( -12.635 16.862 -0.000) 21.071 18.272 ( -6.272 7.080 -0.000) 9.459 19.851 ( 3.982 6.004 -0.000) 7.205 ======================= Grid point 87 (49/112) ======================= q-point: ( 0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 1.599 14.734 -0.000) 14.821 1.945 ( 0.716 33.696 -0.000) 33.704 2.646 ( -26.877 -7.061 -0.000) 27.789 2.712 ( -5.626 -1.096 -0.000) 5.731 2.912 ( 0.334 0.589 -0.000) 0.677 3.079 ( 2.145 8.389 -0.000) 8.659 3.249 ( 2.830 2.623 0.000) 3.859 3.628 ( -0.226 -1.187 0.000) 1.208 4.172 ( 0.797 2.136 -0.000) 2.280 5.043 ( 10.263 9.200 0.000) 13.782 5.292 ( 0.847 3.725 -0.000) 3.820 5.553 ( 6.465 12.147 -0.000) 13.761 5.816 ( 9.069 -20.131 0.000) 22.080 7.178 ( -14.549 4.348 -0.000) 15.185 8.197 ( -0.542 -1.648 0.000) 1.735 8.472 ( 8.573 -2.987 0.000) 9.079 9.492 ( -1.642 -8.281 0.000) 8.442 9.581 ( -1.265 -2.386 0.000) 2.700 9.998 ( -1.670 6.788 -0.000) 6.990 10.971 ( 0.276 -3.353 0.000) 3.364 11.013 ( -1.791 -2.116 0.000) 2.772 11.266 ( -0.145 -0.856 0.000) 0.868 11.781 ( -1.803 0.528 -0.000) 1.879 13.761 ( -0.946 0.082 -0.000) 0.950 15.246 ( -6.553 -3.297 -0.000) 7.335 15.946 ( 0.126 -1.536 0.000) 1.541 16.602 ( 13.017 -3.902 0.000) 13.589 16.605 ( -1.307 0.197 -0.000) 1.322 16.776 ( 1.285 -0.040 0.000) 1.286 17.153 ( 16.590 -15.517 0.000) 22.716 17.484 ( 6.970 -11.208 0.000) 13.198 17.898 ( -13.921 10.740 -0.000) 17.582 18.019 ( -0.100 0.789 -0.000) 0.795 18.113 ( -13.727 15.271 -0.000) 20.534 18.456 ( -0.405 8.229 -0.000) 8.239 20.003 ( 1.711 2.551 -0.000) 3.072 ======================= Grid point 91 (50/112) ======================= q-point: ( 0.24 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 18.879 15.207) 24.241 1.708 ( -0.000 26.842 9.951) 28.628 2.523 ( -0.000 27.501 14.051) 30.883 2.808 ( 0.000 -0.716 -2.635) 2.731 2.937 ( -0.000 1.635 -2.097) 2.659 2.952 ( -0.000 2.534 -0.437) 2.572 3.592 ( 0.000 -1.729 -3.840) 4.211 3.849 ( -0.000 6.838 5.843) 8.994 4.051 ( -0.000 -0.924 3.818) 3.928 4.294 ( -0.000 3.019 3.392) 4.541 4.989 ( -0.000 9.683 3.617) 10.336 5.274 ( -0.000 14.032 3.709) 14.514 6.860 ( 0.000 -26.472 32.031) 41.554 8.226 ( -0.000 -1.648 13.547) 13.647 8.347 ( -0.000 -0.015 18.162) 18.162 8.440 ( -0.000 -1.957 8.316) 8.544 9.659 ( 0.000 -3.450 3.961) 5.253 9.698 ( -0.000 2.214 -2.944) 3.684 9.846 ( -0.000 5.692 2.765) 6.328 10.854 ( 0.000 -1.183 -4.276) 4.436 10.974 ( 0.000 0.250 -7.713) 7.717 11.142 ( 0.000 0.704 -12.555) 12.575 12.117 ( -0.000 5.695 12.040) 13.319 13.319 ( 0.000 -3.013 -16.789) 17.057 15.882 ( 0.000 -13.141 1.416) 13.217 16.155 ( 0.000 -3.824 -1.453) 4.091 16.421 ( 0.000 -9.133 2.122) 9.376 16.447 ( 0.000 -6.898 -7.667) 10.313 16.770 ( 0.000 -13.932 9.926) 17.107 16.862 ( 0.000 -3.274 -0.449) 3.305 17.497 ( 0.000 -6.472 -10.397) 12.246 17.772 ( -0.000 16.448 0.624) 16.460 17.846 ( 0.000 -0.201 -9.317) 9.319 18.188 ( -0.000 12.522 -0.548) 12.534 18.233 ( -0.000 12.693 0.004) 12.693 19.602 ( -0.000 16.811 -6.399) 17.988 ======================= Grid point 92 (51/112) ======================= q-point: ( 0.24 -0.09 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.309 19.964 11.652) 23.153 2.257 ( 3.153 22.487 8.867) 24.376 2.754 ( -4.314 -1.270 -2.507) 5.148 2.905 ( -0.509 1.237 0.490) 1.425 2.975 ( 0.767 5.846 0.587) 5.925 3.077 ( 3.587 4.014 -3.442) 6.389 3.535 ( -7.771 0.330 -1.676) 7.956 3.570 ( -22.232 8.219 6.249) 24.512 4.175 ( 1.388 3.312 1.110) 3.759 4.718 ( 15.840 10.562 0.099) 19.038 5.273 ( 5.385 10.404 2.532) 11.985 5.508 ( -0.916 9.491 1.793) 9.702 6.412 ( 8.315 -21.943 36.904) 43.733 7.955 ( -14.557 2.565 18.772) 23.893 8.386 ( -0.328 -2.419 8.710) 9.046 8.503 ( 9.199 -6.339 10.886) 15.598 9.573 ( -0.524 -2.953 2.741) 4.063 9.665 ( 1.058 -5.651 3.680) 6.826 9.971 ( -2.140 6.843 -0.180) 7.172 10.848 ( 1.602 -1.641 -3.971) 4.586 10.947 ( -1.897 -2.564 -6.137) 6.916 11.065 ( -0.542 -2.939 -8.609) 9.113 12.218 ( -1.168 4.922 15.286) 16.101 13.296 ( -0.418 0.743 -18.837) 18.857 15.504 ( -9.930 -6.937 3.758) 12.682 16.176 ( 3.813 -5.991 1.242) 7.209 16.306 ( 1.310 -6.076 -11.781) 13.320 16.356 ( 10.894 -4.915 3.685) 12.507 16.539 ( -2.051 -3.143 -1.241) 3.953 16.904 ( 7.842 -10.275 -0.848) 12.954 17.339 ( 4.430 -9.954 -5.091) 12.026 17.867 ( -0.426 2.003 -7.411) 7.689 18.032 ( -4.131 11.262 -1.646) 12.108 18.351 ( -9.548 15.406 -0.852) 18.145 18.477 ( -2.146 12.347 -0.799) 12.557 19.885 ( 2.796 7.240 -3.913) 8.692 ======================= Grid point 93 (52/112) ======================= q-point: ( 0.24 -0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -6.561 6.561 13.885) 16.700 2.500 ( -4.508 4.508 0.630) 6.407 2.736 ( -4.300 4.300 -0.215) 6.085 2.893 ( -6.003 6.003 5.106) 9.907 2.897 ( 0.509 -0.509 -0.982) 1.218 3.170 ( -0.440 0.440 -4.553) 4.596 3.381 ( -20.704 20.704 7.051) 30.116 3.499 ( 0.000 -0.000 -4.649) 4.649 4.228 ( -0.975 0.975 0.743) 1.566 4.989 ( 2.290 -2.290 -3.674) 4.897 5.448 ( -3.701 3.701 2.972) 6.019 5.592 ( -0.914 0.914 0.563) 1.410 6.342 ( 13.081 -13.081 37.894) 42.169 7.837 ( -9.285 9.285 21.516) 25.206 8.352 ( 1.008 -1.008 8.902) 9.015 8.488 ( 7.499 -7.499 5.250) 11.833 9.537 ( 1.312 -1.312 1.059) 2.136 9.603 ( 4.546 -4.546 10.705) 12.487 10.016 ( -4.438 4.438 -1.724) 6.509 10.840 ( 1.177 -1.177 -2.650) 3.129 10.881 ( 1.013 -1.013 -4.729) 4.941 11.047 ( 1.443 -1.443 -8.602) 8.840 12.256 ( -3.010 3.010 17.203) 17.722 13.303 ( -1.115 1.115 -19.059) 19.124 15.327 ( -2.321 2.321 4.356) 5.454 16.136 ( 3.947 -3.947 3.749) 6.724 16.263 ( 3.725 -3.725 -15.242) 16.127 16.480 ( 3.001 -3.001 -2.383) 4.867 16.497 ( 7.500 -7.500 1.145) 10.668 16.815 ( 8.320 -8.320 -3.560) 12.293 17.300 ( 9.276 -9.276 -0.965) 13.154 17.886 ( -1.230 1.230 -6.884) 7.100 18.091 ( -9.898 9.898 -1.933) 14.131 18.416 ( -12.992 12.992 -0.640) 18.385 18.587 ( -6.805 6.805 -1.578) 9.752 19.986 ( -1.118 1.118 -3.061) 3.446 ======================= Grid point 98 (53/112) ======================= q-point: ( 0.40 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -0.000 10.553 3.332) 11.067 2.409 ( -0.000 11.562 4.134) 12.279 2.646 ( 0.000 -0.890 -3.811) 3.914 2.838 ( -0.000 1.142 -3.347) 3.537 2.967 ( -0.000 2.364 -0.891) 2.527 2.997 ( -0.000 2.572 -0.159) 2.577 3.394 ( 0.000 -1.041 -3.597) 3.745 4.165 ( -0.000 4.838 3.636) 6.052 4.209 ( -0.000 2.258 1.227) 2.570 4.655 ( -0.000 9.182 5.800) 10.861 5.319 ( -0.000 7.710 2.565) 8.126 5.612 ( -0.000 5.657 2.098) 6.034 8.063 ( 0.000 -12.583 38.353) 40.365 8.649 ( 0.000 -4.655 8.527) 9.715 8.870 ( -0.000 -1.911 14.960) 15.082 9.136 ( 0.000 -8.083 22.869) 24.256 9.763 ( -0.000 2.100 7.535) 7.822 9.866 ( -0.000 0.083 4.644) 4.645 10.101 ( -0.000 3.150 2.627) 4.102 10.518 ( 0.000 0.384 -13.447) 13.452 10.774 ( -0.000 -0.198 2.895) 2.902 10.890 ( -0.000 -0.392 2.638) 2.667 12.490 ( 0.000 -0.419 -20.391) 20.395 12.664 ( -0.000 8.571 2.180) 8.844 15.732 ( 0.000 -8.601 -0.079) 8.602 15.943 ( 0.000 -8.108 -3.036) 8.657 16.077 ( 0.000 -6.775 0.514) 6.794 16.363 ( -0.000 2.086 2.147) 2.994 16.715 ( 0.000 -18.239 3.288) 18.533 16.721 ( 0.000 -0.621 -5.191) 5.228 16.963 ( 0.000 -4.259 -7.477) 8.605 17.489 ( -0.000 5.770 -10.193) 11.713 17.982 ( -0.000 8.578 -2.653) 8.979 18.364 ( -0.000 10.097 -2.697) 10.452 18.522 ( -0.000 5.885 3.000) 6.606 19.582 ( -0.000 10.996 -9.673) 14.645 ======================= Grid point 99 (54/112) ======================= q-point: ( 0.40 -0.10 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -0.331 7.090 -1.582) 7.272 2.657 ( 0.872 1.567 -1.323) 2.228 2.678 ( 4.873 7.483 -1.189) 9.008 2.819 ( -1.544 -2.309 -3.025) 4.107 2.966 ( -1.344 -1.199 -1.688) 2.468 3.019 ( 0.435 -0.139 -1.973) 2.026 3.365 ( -2.310 1.193 -2.813) 3.830 4.113 ( -15.193 11.129 5.504) 19.621 4.253 ( 0.176 1.341 0.183) 1.365 4.852 ( -0.780 6.198 -1.022) 6.330 5.521 ( 4.465 5.521 0.789) 7.144 5.652 ( -1.851 -0.134 0.410) 1.901 7.975 ( 6.164 -4.244 41.748) 42.413 8.592 ( 4.015 -3.711 8.053) 9.734 8.837 ( 0.466 -1.526 15.445) 15.527 8.895 ( -3.083 -9.699 21.720) 23.986 9.770 ( -3.010 2.843 9.047) 9.949 9.896 ( 1.803 -0.421 5.317) 5.630 10.128 ( -2.144 2.274 2.986) 4.322 10.528 ( 0.522 -0.135 -13.159) 13.170 10.742 ( -1.969 0.524 -1.434) 2.491 10.916 ( 4.137 -2.789 8.925) 10.224 12.497 ( -1.001 1.602 -20.300) 20.388 12.795 ( -2.697 6.382 1.618) 7.115 15.562 ( -1.975 -3.720 1.647) 4.522 15.853 ( 6.177 -7.511 -4.482) 10.708 15.921 ( -0.933 -4.998 2.658) 5.737 16.420 ( 7.540 -7.860 2.020) 11.077 16.513 ( 2.785 -2.011 4.457) 5.627 16.652 ( -4.711 -1.236 -3.767) 6.157 16.947 ( 6.272 -5.266 -7.094) 10.835 17.580 ( -1.191 3.862 -8.385) 9.308 18.095 ( -2.998 5.609 -4.151) 7.595 18.521 ( -3.486 9.513 -4.098) 10.929 18.588 ( -5.011 4.935 -2.065) 7.330 19.750 ( -0.179 4.879 -9.645) 10.811 ======================= Grid point 104 (55/112) ======================= q-point: ( 0.56 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -0.000 5.452 -2.527) 6.009 2.518 ( -0.000 0.633 -1.844) 1.949 2.574 ( -0.000 3.063 -1.175) 3.280 2.724 ( 0.000 -2.347 -1.552) 2.814 2.915 ( 0.000 -1.963 -1.265) 2.335 2.944 ( 0.000 -5.353 -1.755) 5.633 3.328 ( -0.000 1.900 -0.399) 1.942 4.243 ( -0.000 0.186 -0.521) 0.554 4.305 ( -0.000 2.879 -0.980) 3.041 4.900 ( -0.000 5.393 -1.693) 5.652 5.416 ( -0.000 0.982 -2.427) 2.618 5.638 ( 0.000 -3.736 -1.642) 4.081 8.783 ( -0.000 -0.996 7.380) 7.447 8.826 ( 0.000 -1.982 4.866) 5.254 9.512 ( -0.000 -1.336 17.727) 17.777 9.841 ( -0.000 -1.248 8.139) 8.235 9.875 ( -0.000 1.045 -2.315) 2.540 9.911 ( 0.000 0.615 -16.359) 16.370 10.021 ( 0.000 -5.486 5.193) 7.554 10.456 ( -0.000 8.991 9.304) 12.938 11.012 ( -0.000 0.273 2.942) 2.955 11.180 ( 0.000 -3.472 5.985) 6.919 12.000 ( -0.000 1.171 1.835) 2.177 12.338 ( 0.000 2.517 -22.015) 22.159 15.663 ( -0.000 -0.625 4.462) 4.506 15.841 ( 0.000 -5.947 6.648) 8.920 16.228 ( 0.000 -2.823 9.016) 9.448 16.311 ( 0.000 -2.913 -4.470) 5.335 16.439 ( 0.000 -0.330 -7.349) 7.356 16.592 ( 0.000 -7.692 1.566) 7.850 16.915 ( -0.000 4.501 6.037) 7.531 17.358 ( -0.000 11.982 -3.460) 12.472 17.929 ( 0.000 1.022 -4.477) 4.592 18.339 ( -0.000 3.028 -4.908) 5.767 18.675 ( 0.000 -7.469 5.609) 9.341 19.245 ( -0.000 4.903 -14.592) 15.394 ======================= Grid point 105 (56/112) ======================= q-point: (-0.44 -0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -4.121 4.121 -3.265) 6.681 2.642 ( 0.961 -0.961 -1.423) 1.968 2.646 ( -0.040 0.040 -1.225) 1.226 2.685 ( 1.391 -1.391 -0.872) 2.151 2.758 ( 2.022 -2.022 -6.043) 6.686 2.920 ( 3.326 -3.326 -1.615) 4.973 3.346 ( -1.308 1.308 -0.216) 1.862 4.247 ( 0.142 -0.142 -0.897) 0.919 4.329 ( -3.236 3.236 -1.863) 4.941 4.925 ( -8.184 8.184 -3.126) 11.988 5.500 ( 3.018 -3.018 -4.138) 5.944 5.544 ( 3.485 -3.485 -2.540) 5.544 8.774 ( 0.374 -0.374 7.677) 7.695 8.814 ( 1.763 -1.763 6.364) 6.835 9.498 ( 0.741 -0.741 17.832) 17.863 9.826 ( 0.913 -0.913 13.990) 14.050 9.877 ( -1.204 1.204 -2.562) 3.076 9.918 ( -0.226 0.226 -16.681) 16.684 9.970 ( 2.909 -2.909 3.491) 5.396 10.593 ( -5.152 5.152 10.769) 13.002 10.927 ( -4.352 4.352 2.688) 6.717 11.194 ( 5.949 -5.949 5.077) 9.826 12.012 ( -0.962 0.962 0.155) 1.369 12.361 ( -1.466 1.466 -24.083) 24.172 15.686 ( 0.886 -0.886 9.024) 9.110 15.746 ( 3.121 -3.121 6.281) 7.677 16.196 ( 2.169 -2.169 10.202) 10.654 16.254 ( 0.767 -0.767 -2.539) 2.761 16.477 ( 2.122 -2.122 -8.075) 8.615 16.491 ( 3.818 -3.818 -0.191) 5.403 16.972 ( -3.884 3.884 6.785) 8.730 17.507 ( -8.046 8.046 1.121) 11.433 17.939 ( -0.394 0.394 -6.134) 6.159 18.362 ( -2.570 2.570 -7.943) 8.735 18.585 ( 5.957 -5.957 2.450) 8.774 19.297 ( -2.015 2.015 -15.755) 16.011 ======================= Grid point 108 (57/112) ======================= q-point: ( 0.56 -0.10 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -1.839 1.839 0.212) 2.609 2.698 ( -2.885 2.885 0.264) 4.089 2.702 ( -2.908 2.908 -0.026) 4.113 2.779 ( -4.331 4.331 4.774) 7.766 2.785 ( -3.131 3.131 -1.762) 4.766 2.967 ( 0.375 -0.375 -0.478) 0.713 3.251 ( 4.127 -4.127 -1.369) 5.995 4.097 ( 4.930 -4.930 8.321) 10.856 4.251 ( -0.726 0.726 0.572) 1.175 4.557 ( 6.544 -6.544 -2.952) 9.714 5.590 ( -4.230 4.230 2.478) 6.475 5.628 ( -2.344 2.344 1.825) 3.784 8.858 ( 0.158 -0.158 1.028) 1.052 8.928 ( -0.792 0.792 0.893) 1.432 9.557 ( 0.409 -0.409 17.624) 17.633 9.805 ( 0.593 -0.593 -2.268) 2.419 9.890 ( -0.625 0.625 -16.837) 16.861 9.929 ( -0.720 0.720 3.002) 3.171 10.160 ( -4.662 4.662 1.384) 6.737 10.386 ( 5.069 -5.069 15.021) 16.644 10.694 ( 6.343 -6.343 2.895) 9.426 11.441 ( -4.385 4.385 3.647) 7.195 11.959 ( 0.667 -0.667 5.833) 5.909 12.190 ( -0.372 0.372 -16.152) 16.160 15.896 ( -0.694 0.694 -4.596) 4.699 15.909 ( -0.155 0.155 -3.389) 3.396 16.097 ( 1.400 -1.400 7.971) 8.213 16.311 ( 1.296 -1.296 1.275) 2.233 16.540 ( -2.797 2.797 -5.205) 6.537 16.811 ( -5.520 5.520 -5.256) 9.411 16.949 ( 2.478 -2.478 -6.549) 7.427 17.151 ( 6.584 -6.584 0.040) 9.311 17.881 ( -0.944 0.944 2.086) 2.476 18.142 ( 1.022 -1.022 2.775) 3.129 18.890 ( 2.175 -2.175 15.574) 15.875 19.045 ( -5.834 5.834 -13.887) 16.153 ======================= Grid point 110 (58/112) ======================= q-point: (-0.28 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 0.316 -12.305) 12.309 2.258 ( 0.000 -3.366 -13.063) 13.490 2.652 ( -0.000 2.060 2.973) 3.617 2.680 ( 0.000 -3.142 0.668) 3.212 2.787 ( 0.000 -4.713 0.248) 4.719 2.797 ( 0.000 -4.754 1.928) 5.130 3.395 ( -0.000 1.083 2.232) 2.481 4.189 ( 0.000 0.136 -6.172) 6.173 4.194 ( 0.000 -0.254 -1.462) 1.484 4.800 ( -0.000 7.731 -8.140) 11.226 5.197 ( 0.000 -2.665 -6.485) 7.011 5.334 ( 0.000 -11.060 -5.811) 12.494 8.879 ( -0.000 3.919 -4.519) 5.981 8.902 ( -0.000 1.496 -2.755) 3.135 9.242 ( 0.000 0.665 -16.409) 16.423 9.833 ( -0.000 3.443 -5.769) 6.718 9.880 ( -0.000 -0.063 0.698) 0.701 9.955 ( 0.000 -2.380 -5.557) 6.045 10.170 ( 0.000 4.900 -35.898) 36.231 10.188 ( -0.000 -0.687 16.228) 16.243 10.878 ( 0.000 -0.082 -6.522) 6.522 10.928 ( 0.000 -4.111 -8.804) 9.716 12.162 ( -0.000 1.829 19.596) 19.682 12.332 ( 0.000 -4.019 6.138) 7.337 16.032 ( -0.000 6.322 6.043) 8.746 16.133 ( 0.000 -2.977 1.676) 3.417 16.215 ( -0.000 5.119 7.473) 9.058 16.249 ( -0.000 2.400 0.899) 2.563 16.568 ( -0.000 -2.151 9.259) 9.505 16.681 ( 0.000 -6.879 12.540) 14.303 17.187 ( -0.000 0.925 4.775) 4.864 17.678 ( 0.000 -4.943 -5.803) 7.623 17.700 ( -0.000 24.993 -1.653) 25.047 18.136 ( 0.000 -2.127 -4.893) 5.335 18.632 ( 0.000 -2.300 -10.133) 10.390 18.729 ( 0.000 -18.463 4.107) 18.915 ======================= Grid point 113 (59/112) ======================= q-point: (-0.28 -0.11 0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 1.079 3.186 1.785) 3.808 2.688 ( 3.384 7.718 -3.634) 9.177 2.729 ( 0.387 6.058 0.834) 6.128 2.825 ( -0.277 1.670 1.939) 2.574 2.910 ( 1.539 0.288 1.420) 2.114 2.977 ( 1.788 -1.367 0.075) 2.252 3.220 ( -1.950 -4.939 3.049) 6.123 3.806 ( 3.557 -13.926 -14.569) 20.466 4.254 ( 0.622 0.741 -0.524) 1.100 4.638 ( 1.490 -2.992 7.462) 8.177 5.590 ( 1.976 5.047 -2.551) 5.990 5.644 ( 2.121 0.157 -2.202) 3.062 8.716 ( -3.515 2.398 -11.037) 11.828 8.854 ( -1.018 2.823 -5.346) 6.131 9.195 ( -0.726 0.074 -17.055) 17.071 9.611 ( -7.941 0.483 -33.261) 34.199 9.847 ( 3.011 -3.074 -10.675) 11.509 9.907 ( -0.563 -1.693 2.256) 2.877 10.158 ( 3.399 1.056 -8.244) 8.980 10.239 ( 0.362 0.446 16.144) 16.154 10.606 ( -0.279 -5.478 2.014) 5.843 11.304 ( -0.463 5.207 -12.260) 13.328 12.089 ( 0.392 -0.845 15.089) 15.117 12.533 ( 3.770 -1.532 11.303) 12.013 15.756 ( -6.876 3.103 -5.518) 9.347 15.963 ( 1.309 -4.354 -4.333) 6.281 15.983 ( -2.527 -0.774 1.597) 3.088 16.367 ( 3.497 0.859 4.309) 5.615 16.632 ( -1.443 -0.563 1.958) 2.497 16.901 ( -10.395 5.873 2.432) 12.184 16.993 ( -3.267 4.256 7.691) 9.378 17.257 ( 4.667 -1.870 11.247) 12.320 17.868 ( 3.641 -4.104 -1.469) 5.680 18.224 ( 6.558 -0.237 3.433) 7.406 18.560 ( -1.255 -2.799 -12.028) 12.413 19.435 ( 4.567 2.083 13.331) 14.245 ======================= Grid point 116 (60/112) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.000 -22.961) 22.961 1.437 ( 0.000 0.000 -22.961) 22.961 2.307 ( 0.000 0.000 -18.161) 18.161 2.792 ( -0.000 -0.000 2.070) 2.070 2.867 ( -0.000 -0.000 2.582) 2.582 2.867 ( -0.000 -0.000 2.582) 2.582 3.545 ( -0.000 -0.000 4.315) 4.315 3.857 ( 0.000 0.000 -9.045) 9.045 4.144 ( 0.000 0.000 -0.851) 0.851 4.581 ( 0.000 0.000 -8.581) 8.581 4.899 ( 0.000 0.000 -5.937) 5.937 4.899 ( 0.000 0.000 -5.937) 5.937 8.303 ( 0.000 0.000 -44.365) 44.365 8.559 ( 0.000 0.000 -14.333) 14.333 8.559 ( 0.000 0.000 -14.333) 14.333 8.676 ( 0.000 0.000 -11.519) 11.519 9.608 ( 0.000 0.000 -5.876) 5.876 9.796 ( 0.000 0.000 -3.820) 3.820 9.796 ( 0.000 0.000 -3.820) 3.820 10.747 ( -0.000 -0.000 11.429) 11.429 10.812 ( -0.000 -0.000 3.361) 3.361 10.812 ( -0.000 -0.000 3.361) 3.361 12.186 ( 0.000 0.000 -8.895) 8.895 13.111 ( -0.000 -0.000 21.222) 21.222 16.170 ( -0.000 -0.000 2.887) 2.887 16.170 ( -0.000 -0.000 2.887) 2.887 16.606 ( -0.000 -0.000 5.620) 5.620 16.606 ( -0.000 -0.000 5.620) 5.620 16.859 ( -0.000 -0.000 6.756) 6.756 17.223 ( -0.000 -0.000 14.414) 14.414 17.349 ( 0.000 0.000 -5.688) 5.688 17.458 ( -0.000 -0.000 9.348) 9.348 17.934 ( 0.000 0.000 -3.070) 3.070 17.934 ( 0.000 0.000 -3.070) 3.070 18.107 ( 0.000 0.000 -9.702) 9.702 18.682 ( -0.000 -0.000 2.733) 2.733 ======================= Grid point 118 (61/112) ======================= q-point: (-0.12 -0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 13.193 13.193 -15.841) 24.475 2.253 ( 11.163 11.163 -7.494) 17.476 2.747 ( -1.080 -1.080 0.834) 1.740 2.909 ( 6.414 6.414 -0.262) 9.075 2.943 ( -0.257 -0.257 -1.558) 1.600 2.960 ( 2.507 2.507 5.013) 6.141 3.315 ( -14.507 -14.507 -12.033) 23.784 3.459 ( -2.563 -2.563 4.921) 6.112 4.186 ( 1.820 1.820 -1.403) 2.932 4.757 ( 7.408 7.408 1.790) 10.628 5.365 ( 9.219 9.219 -3.678) 13.546 5.399 ( 3.458 3.458 -4.698) 6.781 7.646 ( -3.671 -3.671 -45.255) 45.552 8.120 ( -5.026 -5.026 -21.987) 23.107 8.615 ( -1.148 -1.148 -12.110) 12.218 8.872 ( -3.238 -3.238 -8.330) 9.506 9.586 ( -0.788 -0.788 -1.641) 1.984 9.871 ( 0.786 0.786 -3.457) 3.632 9.912 ( 1.628 1.628 -6.870) 7.246 10.800 ( 1.058 1.058 11.511) 11.608 10.806 ( -0.059 -0.059 5.606) 5.606 10.916 ( -1.131 -1.131 0.789) 1.783 12.412 ( 3.139 3.139 -11.258) 12.101 12.897 ( -1.398 -1.398 20.418) 20.513 15.569 ( -7.963 -7.963 -6.551) 13.028 16.123 ( -4.821 -4.821 9.845) 11.975 16.332 ( -1.953 -1.953 7.552) 8.041 16.378 ( 1.755 1.755 0.231) 2.493 16.666 ( -1.225 -1.225 -3.365) 3.784 17.279 ( -4.838 -4.838 4.478) 8.178 17.414 ( 3.003 3.003 10.241) 11.087 17.659 ( 3.206 3.206 10.411) 11.355 17.735 ( -0.685 -0.685 -0.538) 1.108 17.974 ( 3.619 3.619 -5.368) 7.417 18.329 ( 3.453 3.453 -1.445) 5.092 19.722 ( 7.442 7.442 7.108) 12.701 ======================= Grid point 119 (62/112) ======================= q-point: (-0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.000 0.000 -6.753) 6.753 2.582 ( 0.000 0.000 2.993) 2.993 2.654 ( -0.000 -0.000 -11.592) 11.592 2.805 ( -0.000 -0.000 -20.876) 20.876 2.912 ( -0.000 -0.000 0.038) 0.038 3.038 ( 0.000 0.000 6.072) 6.072 3.054 ( 0.000 0.000 2.084) 2.084 3.375 ( 0.000 0.000 6.423) 6.423 4.231 ( 0.000 0.000 -1.015) 1.015 4.922 ( 0.000 0.000 6.143) 6.143 5.458 ( 0.000 0.000 -4.734) 4.734 5.578 ( 0.000 0.000 -1.588) 1.588 7.619 ( 0.000 0.000 -48.981) 48.981 8.022 ( 0.000 0.000 -24.094) 24.094 8.587 ( 0.000 0.000 -12.495) 12.495 8.739 ( 0.000 0.000 -3.420) 3.420 9.569 ( -0.000 -0.000 -1.754) 1.754 9.885 ( 0.000 0.000 -2.519) 2.519 9.948 ( -0.000 -0.000 -7.851) 7.851 10.805 ( 0.000 0.000 6.182) 6.182 10.831 ( 0.000 0.000 12.571) 12.571 10.875 ( 0.000 0.000 -4.639) 4.639 12.479 ( -0.000 -0.000 -11.985) 11.985 12.876 ( 0.000 0.000 21.051) 21.051 15.401 ( -0.000 -0.000 -8.084) 8.084 16.024 ( -0.000 -0.000 11.911) 11.911 16.292 ( 0.000 0.000 8.035) 8.035 16.401 ( 0.000 0.000 -4.622) 4.622 16.685 ( 0.000 0.000 1.647) 1.647 17.149 ( 0.000 0.000 5.451) 5.451 17.490 ( -0.000 -0.000 10.837) 10.837 17.700 ( 0.000 0.000 -1.642) 1.642 17.735 ( -0.000 -0.000 9.307) 9.307 18.051 ( 0.000 0.000 -8.109) 8.109 18.407 ( -0.000 -0.000 2.778) 2.778 19.866 ( 0.000 0.000 6.520) 6.520 ======================= Grid point 129 (63/112) ======================= q-point: ( 0.21 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.000 21.066 19.488) 28.698 1.550 ( -0.000 32.423 5.519) 32.889 2.258 ( -0.000 41.096 10.290) 42.364 2.851 ( 0.000 0.214 -1.600) 1.615 2.959 ( -0.000 2.352 -0.258) 2.366 2.966 ( -0.000 2.421 -0.840) 2.562 3.655 ( 0.000 -1.750 -2.234) 2.838 3.747 ( -0.000 8.095 3.978) 9.020 3.985 ( 0.000 -2.589 2.408) 3.536 4.251 ( -0.000 3.581 1.113) 3.750 4.933 ( -0.000 10.492 1.972) 10.675 5.215 ( -0.000 15.032 2.114) 15.180 6.372 ( 0.000 -28.765 16.188) 33.007 7.996 ( -0.000 -1.101 8.499) 8.570 8.049 ( -0.000 -0.582 10.803) 10.819 8.313 ( 0.000 -2.250 4.286) 4.841 9.603 ( 0.000 -4.564 1.683) 4.864 9.763 ( -0.000 4.982 -2.809) 5.719 9.815 ( -0.000 3.258 0.419) 3.285 10.924 ( 0.000 -1.335 -2.479) 2.815 11.094 ( 0.000 0.120 -4.106) 4.108 11.411 ( 0.000 -6.062 -12.528) 13.918 11.915 ( -0.000 3.268 7.006) 7.731 13.629 ( 0.000 -0.187 -13.718) 13.719 15.859 ( 0.000 -14.805 0.831) 14.828 16.172 ( 0.000 -6.110 -0.219) 6.114 16.219 ( 0.000 -9.933 15.866) 18.719 16.596 ( 0.000 -3.889 -6.737) 7.779 16.680 ( 0.000 -2.210 -0.200) 2.219 16.846 ( 0.000 -5.511 1.897) 5.828 17.665 ( 0.000 -6.413 -5.907) 8.719 17.757 ( -0.000 17.883 0.728) 17.898 17.968 ( 0.000 -0.102 -2.941) 2.943 18.197 ( -0.000 13.369 -0.376) 13.374 18.287 ( -0.000 8.492 -4.446) 9.585 19.731 ( -0.000 12.081 -6.079) 13.524 ======================= Grid point 130 (64/112) ======================= q-point: ( 0.21 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.779 22.005 14.786) 26.571 2.091 ( -4.121 29.955 6.265) 30.879 2.810 ( -5.644 0.201 -2.989) 6.390 2.895 ( 0.217 2.694 0.489) 2.747 2.949 ( 1.630 7.694 1.790) 8.066 3.138 ( 4.880 4.093 -2.400) 6.806 3.415 ( -30.991 11.190 5.562) 33.415 3.608 ( -0.475 -2.091 -2.356) 3.186 4.156 ( 1.647 3.776 0.705) 4.179 4.720 ( 19.740 13.342 -0.316) 23.828 5.234 ( 4.850 11.378 1.376) 12.445 5.483 ( -0.027 11.359 0.658) 11.378 5.839 ( 7.963 -27.168 19.432) 34.338 7.642 ( -17.793 2.337 11.429) 21.276 8.252 ( -0.140 -2.697 4.450) 5.205 8.313 ( 13.160 -4.189 7.353) 15.646 9.511 ( 1.553 -6.190 2.504) 6.856 9.639 ( -2.800 -7.452 0.051) 7.960 10.004 ( -1.775 9.618 -2.347) 10.058 10.915 ( 1.680 -1.924 -2.406) 3.509 11.047 ( -3.296 -3.826 -3.552) 6.174 11.215 ( -0.521 -5.376 -5.666) 7.828 11.943 ( -1.924 2.000 10.870) 11.219 13.632 ( -0.689 0.881 -13.672) 13.718 15.446 ( -10.525 -7.292 1.965) 12.954 16.050 ( -0.130 -4.811 8.720) 9.960 16.300 ( 15.575 -4.785 1.000) 16.324 16.556 ( 4.324 -4.103 -10.642) 12.198 16.612 ( -1.889 -0.459 -4.979) 5.346 16.886 ( 10.420 -8.738 2.807) 13.886 17.415 ( 0.845 -13.531 -2.478) 13.782 17.982 ( -0.303 1.567 -3.899) 4.214 18.059 ( -3.270 10.899 -0.941) 11.417 18.363 ( -10.469 16.104 -0.325) 19.210 18.492 ( -2.904 12.967 -0.598) 13.302 19.942 ( 2.381 5.652 -1.858) 6.408 ======================= Grid point 131 (65/112) ======================= q-point: ( 0.21 -0.13 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -10.267 10.267 15.186) 21.010 2.486 ( -7.144 7.144 0.639) 10.123 2.738 ( -4.095 4.095 0.054) 5.792 2.773 ( -15.710 15.710 5.575) 22.906 2.911 ( 0.077 -0.077 -0.456) 0.469 3.247 ( -0.023 0.023 -2.832) 2.832 3.284 ( -15.648 15.648 2.760) 22.301 3.576 ( 0.717 -0.717 -2.862) 3.036 4.214 ( -1.292 1.292 0.546) 1.907 5.071 ( 3.000 -3.000 -4.664) 6.305 5.399 ( -4.517 4.517 1.743) 6.621 5.536 ( 8.609 -8.609 7.687) 14.398 5.792 ( 5.701 -5.701 13.933) 16.098 7.480 ( -10.697 10.697 13.080) 19.998 8.216 ( 1.054 -1.054 4.594) 4.830 8.392 ( 8.485 -8.485 3.911) 12.620 9.423 ( 4.555 -4.555 6.434) 9.105 9.528 ( 2.441 -2.441 0.050) 3.453 10.083 ( -5.555 5.555 -3.962) 8.798 10.897 ( 1.282 -1.282 -2.427) 3.029 10.954 ( 1.070 -1.070 -2.481) 2.906 11.184 ( 2.240 -2.240 -4.811) 5.761 11.939 ( -1.876 1.876 12.856) 13.127 13.633 ( -1.081 1.081 -12.841) 12.932 15.261 ( -2.441 2.441 2.136) 4.059 16.002 ( 2.108 -2.108 7.335) 7.918 16.447 ( 11.288 -11.288 -0.305) 15.967 16.568 ( 0.816 -0.816 -4.593) 4.736 16.602 ( 1.495 -1.495 -12.938) 13.110 16.863 ( 10.747 -10.747 -1.268) 15.251 17.276 ( 9.934 -9.934 2.928) 14.350 17.996 ( -0.936 0.936 -3.873) 4.093 18.122 ( -10.409 10.409 -1.075) 14.760 18.422 ( -13.887 13.887 -0.017) 19.640 18.606 ( -7.234 7.234 -0.454) 10.240 20.026 ( -0.883 0.883 -1.090) 1.657 ======================= Grid point 136 (66/112) ======================= q-point: ( 0.37 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -0.000 15.993 6.682) 17.333 2.315 ( -0.000 17.645 5.068) 18.358 2.725 ( 0.000 -0.531 -3.896) 3.932 2.906 ( -0.000 1.068 -3.009) 3.193 2.973 ( -0.000 5.851 0.274) 5.857 3.001 ( -0.000 2.583 -0.243) 2.594 3.473 ( 0.000 -1.580 -4.174) 4.463 4.086 ( -0.000 6.759 4.163) 7.938 4.177 ( -0.000 3.895 1.984) 4.371 4.539 ( -0.000 12.089 5.408) 13.244 5.265 ( -0.000 10.288 2.690) 10.634 5.566 ( -0.000 8.052 2.388) 8.399 7.181 ( 0.000 -18.797 46.155) 49.835 8.441 ( 0.000 -3.642 12.046) 12.585 8.600 ( -0.000 -2.338 11.891) 12.119 8.711 ( -0.000 -4.448 20.273) 20.755 9.669 ( 0.000 -0.965 2.161) 2.366 9.725 ( -0.000 -1.990 8.230) 8.467 10.029 ( -0.000 4.467 3.478) 5.661 10.739 ( 0.000 -0.297 -6.652) 6.659 10.802 ( 0.000 -0.786 -6.809) 6.855 10.927 ( 0.000 -2.640 -5.519) 6.118 12.513 ( -0.000 8.081 11.847) 14.340 12.905 ( 0.000 -0.361 -20.374) 20.378 15.704 ( 0.000 -9.003 2.636) 9.381 16.025 ( 0.000 -5.796 -4.334) 7.237 16.135 ( 0.000 -8.772 -6.034) 10.647 16.316 ( 0.000 -2.586 1.975) 3.254 16.622 ( 0.000 -15.759 5.369) 16.649 16.800 ( 0.000 -0.615 -2.601) 2.673 17.135 ( 0.000 -7.485 -8.853) 11.593 17.694 ( -0.000 3.715 -9.926) 10.598 18.031 ( -0.000 10.745 -2.126) 10.954 18.417 ( -0.000 12.574 -2.376) 12.796 18.493 ( -0.000 11.050 0.174) 11.051 19.746 ( -0.000 10.505 -6.648) 12.432 ======================= Grid point 137 (67/112) ======================= q-point: ( 0.37 -0.13 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -0.053 13.300 1.684) 13.407 2.656 ( 0.744 4.626 1.586) 4.947 2.715 ( -0.593 6.863 -2.585) 7.357 2.872 ( -2.026 -1.540 -2.096) 3.297 2.994 ( -2.261 -1.584 -1.045) 2.952 3.071 ( 1.765 1.723 -3.272) 4.098 3.432 ( -1.633 -0.135 -3.703) 4.050 3.997 ( -20.430 14.887 5.936) 25.966 4.247 ( 0.003 2.095 0.377) 2.129 4.864 ( 4.431 4.941 -0.346) 6.646 5.500 ( 2.774 7.659 1.267) 8.243 5.641 ( -2.524 1.546 0.621) 3.025 7.019 ( 8.200 -7.013 49.745) 50.902 8.373 ( 0.182 0.703 15.212) 15.229 8.549 ( -1.570 -9.939 12.716) 16.215 8.557 ( 0.407 -1.899 12.436) 12.587 9.610 ( -1.931 -0.137 6.423) 6.708 9.736 ( 3.300 -2.585 9.861) 10.715 10.079 ( -1.625 2.461 1.822) 3.467 10.743 ( 0.784 -0.220 -6.740) 6.789 10.796 ( 1.353 -1.257 -2.900) 3.438 10.854 ( 0.128 -3.301 -4.829) 5.850 12.636 ( -2.427 5.902 13.328) 14.777 12.917 ( -0.912 1.757 -21.062) 21.155 15.501 ( -4.678 -2.259 4.387) 6.800 15.958 ( 2.745 -6.351 -7.660) 10.322 15.991 ( 4.698 -7.000 -6.933) 10.915 16.346 ( 8.598 -6.752 4.582) 11.854 16.432 ( 3.780 -5.765 3.005) 7.520 16.735 ( -4.351 -1.118 -3.687) 5.812 17.074 ( 7.031 -6.905 -5.100) 11.096 17.752 ( -0.898 2.546 -8.434) 8.855 18.172 ( -3.786 7.122 -3.449) 8.773 18.585 ( -6.660 11.120 -2.694) 13.239 18.652 ( -4.484 8.621 -3.376) 10.288 19.906 ( 0.030 4.455 -5.936) 7.422 ======================= Grid point 142 (68/112) ======================= q-point: ( 0.53 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -0.000 7.760 -2.331) 8.102 2.557 ( -0.000 1.256 -1.976) 2.342 2.607 ( -0.000 4.583 -2.145) 5.060 2.771 ( 0.000 -1.615 -3.103) 3.498 2.945 ( 0.000 -0.834 -1.719) 1.911 2.979 ( 0.000 -3.405 -1.623) 3.772 3.347 ( -0.000 1.447 -1.566) 2.132 4.250 ( -0.000 0.932 -0.171) 0.947 4.308 ( -0.000 4.756 0.625) 4.796 4.903 ( -0.000 7.766 1.286) 7.872 5.452 ( -0.000 3.821 -1.166) 3.995 5.662 ( 0.000 -1.668 -0.834) 1.865 8.535 ( -0.000 -1.368 19.299) 19.348 8.705 ( 0.000 -4.043 6.915) 8.010 9.161 ( -0.000 -1.519 17.131) 17.199 9.431 ( 0.000 -10.228 28.103) 29.907 9.912 ( -0.000 0.881 -0.835) 1.214 9.955 ( -0.000 -0.935 4.202) 4.304 10.235 ( 0.000 0.394 -15.390) 15.395 10.250 ( -0.000 6.781 8.063) 10.535 10.899 ( -0.000 0.566 7.340) 7.362 11.009 ( -0.000 -2.314 9.492) 9.770 12.146 ( 0.000 2.071 -14.511) 14.658 12.709 ( -0.000 5.542 -12.941) 14.078 15.603 ( 0.000 -4.001 1.366) 4.228 15.751 ( 0.000 -8.335 1.899) 8.548 16.056 ( 0.000 -4.698 7.862) 9.159 16.367 ( 0.000 -7.837 -0.744) 7.873 16.577 ( -0.000 -0.233 1.767) 1.782 16.588 ( 0.000 -0.335 -7.105) 7.113 16.814 ( 0.000 -1.268 2.086) 2.442 17.450 ( -0.000 7.183 -5.881) 9.284 18.025 ( -0.000 3.713 -4.969) 6.203 18.447 ( -0.000 6.329 -5.667) 8.495 18.614 ( 0.000 -0.601 0.565) 0.825 19.525 ( -0.000 6.060 -12.842) 14.200 ======================= Grid point 143 (69/112) ======================= q-point: ( 0.53 -0.14 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -4.325 4.325 -3.408) 7.002 2.680 ( -1.220 1.220 -2.231) 2.821 2.680 ( 0.949 -0.949 -2.385) 2.737 2.728 ( 0.589 -0.589 -3.161) 3.269 2.861 ( 1.278 -1.278 -4.156) 4.532 2.959 ( 2.088 -2.088 -2.266) 3.722 3.360 ( -1.286 1.286 -1.132) 2.142 4.262 ( -0.203 0.203 -0.636) 0.698 4.343 ( -5.363 5.363 0.354) 7.593 4.965 ( -7.059 7.059 -0.838) 10.018 5.567 ( 1.467 -1.467 -2.532) 3.273 5.586 ( 1.865 -1.865 -1.744) 3.162 8.550 ( -0.396 0.396 16.475) 16.485 8.669 ( 2.837 -2.837 7.706) 8.688 9.144 ( 0.824 -0.824 17.252) 17.291 9.291 ( 5.458 -5.458 33.853) 34.722 9.927 ( -0.338 0.338 -1.481) 1.556 9.937 ( 0.017 -0.017 2.539) 2.539 10.240 ( -0.009 0.009 -15.242) 15.242 10.343 ( -3.755 3.755 11.832) 12.969 10.829 ( -3.942 3.942 5.612) 7.910 11.043 ( 5.131 -5.131 9.541) 11.987 12.170 ( -1.535 1.535 -14.480) 14.642 12.766 ( -2.954 2.954 -14.274) 14.872 15.554 ( 0.996 -0.996 3.786) 4.039 15.669 ( 5.571 -5.571 1.115) 7.957 15.995 ( 2.388 -2.388 9.544) 10.124 16.269 ( 5.438 -5.438 0.580) 7.712 16.555 ( -0.942 0.942 -5.256) 5.422 16.621 ( 1.257 -1.257 -4.164) 4.528 16.812 ( -0.716 0.716 6.653) 6.730 17.529 ( -3.721 3.721 -3.533) 6.338 18.062 ( -1.812 1.812 -6.084) 6.601 18.523 ( -3.365 3.365 -7.899) 9.222 18.592 ( -0.172 0.172 -2.644) 2.656 19.590 ( -2.169 2.169 -13.164) 13.516 ======================= Grid point 147 (70/112) ======================= q-point: ( 0.53 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 274 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -4.175 4.175 0.135) 5.905 2.589 ( -7.070 7.070 9.438) 13.750 2.709 ( -2.724 2.724 -0.617) 3.902 2.774 ( -2.352 2.352 -3.098) 4.546 2.832 ( -3.423 3.423 -2.678) 5.533 2.978 ( 0.343 -0.343 -0.380) 0.617 3.293 ( 3.735 -3.735 -2.838) 5.996 3.865 ( 8.603 -8.603 13.539) 18.202 4.235 ( -1.101 1.101 0.950) 1.824 4.638 ( 1.223 -1.223 -4.186) 4.529 5.526 ( -5.913 5.913 3.757) 9.167 5.575 ( -2.834 2.834 3.448) 5.287 8.770 ( 1.595 -1.595 8.056) 8.366 8.855 ( -0.380 0.380 7.064) 7.084 9.208 ( 0.586 -0.586 16.897) 16.917 9.751 ( 3.774 -3.774 27.938) 28.444 9.805 ( 0.340 -0.340 8.064) 8.078 9.942 ( 3.180 -3.180 5.040) 6.755 10.093 ( -2.906 2.906 5.059) 6.518 10.228 ( -0.740 0.740 -16.119) 16.153 10.650 ( 3.986 -3.986 0.087) 5.638 11.264 ( -4.511 4.511 12.323) 13.876 12.094 ( 0.808 -0.808 -15.819) 15.860 12.473 ( -2.126 2.126 -9.973) 10.416 15.891 ( 2.668 -2.668 7.770) 8.638 15.944 ( 4.211 -4.211 -0.915) 6.025 16.043 ( 2.415 -2.415 -5.135) 6.167 16.297 ( -3.022 3.022 -1.257) 4.454 16.655 ( 0.383 -0.383 -4.449) 4.482 16.958 ( -4.373 4.373 -9.385) 11.240 17.091 ( 5.261 -5.261 -6.167) 9.664 17.219 ( 1.074 -1.074 -7.652) 7.802 17.828 ( -0.260 0.260 2.995) 3.018 18.110 ( -3.574 3.574 0.878) 5.130 18.599 ( 2.186 -2.186 12.912) 13.277 19.317 ( -7.124 7.124 -12.820) 16.305 ======================= Grid point 149 (71/112) ======================= q-point: (-0.31 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -0.000 5.202 -7.612) 9.219 2.469 ( 0.000 1.141 -7.610) 7.695 2.608 ( -0.000 1.685 1.068) 1.995 2.661 ( 0.000 -1.825 0.478) 1.887 2.778 ( 0.000 -6.443 -0.385) 6.454 2.798 ( 0.000 -6.269 -1.331) 6.409 3.364 ( -0.000 1.085 0.853) 1.380 4.222 ( 0.000 -0.227 -1.270) 1.291 4.295 ( -0.000 1.399 -4.360) 4.579 4.943 ( -0.000 7.527 -5.894) 9.560 5.322 ( 0.000 -1.263 -5.849) 5.984 5.441 ( 0.000 -8.994 -4.823) 10.205 8.889 ( -0.000 0.985 3.028) 3.184 8.896 ( -0.000 0.210 3.142) 3.149 9.580 ( 0.000 0.484 -17.084) 17.090 9.843 ( -0.000 -0.293 15.011) 15.013 9.873 ( -0.000 -0.027 2.316) 2.317 9.874 ( 0.000 -0.024 -0.636) 0.637 10.029 ( 0.000 -1.281 -0.407) 1.344 10.693 ( -0.000 11.383 -10.578) 15.539 10.997 ( 0.000 -0.131 -4.156) 4.158 11.116 ( 0.000 -6.427 -5.457) 8.431 11.976 ( 0.000 0.129 -6.844) 6.845 12.148 ( -0.000 -1.984 10.383) 10.570 15.856 ( -0.000 3.906 10.133) 10.859 15.942 ( 0.000 -3.571 11.849) 12.376 16.227 ( -0.000 3.158 -3.061) 4.397 16.302 ( 0.000 0.169 -5.074) 5.077 16.374 ( -0.000 -2.419 9.860) 10.153 16.487 ( 0.000 -8.491 6.061) 10.432 17.107 ( -0.000 2.929 3.553) 4.604 17.690 ( -0.000 20.842 3.087) 21.069 17.804 ( 0.000 -1.802 -6.691) 6.929 18.250 ( 0.000 0.061 -6.481) 6.481 18.543 ( 0.000 -16.747 5.202) 17.537 18.987 ( 0.000 1.189 -16.644) 16.687 ======================= Grid point 152 (72/112) ======================= q-point: (-0.31 -0.15 0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.293 2.039 0.824) 2.219 2.707 ( -0.196 6.492 0.631) 6.525 2.731 ( 0.544 6.447 -0.521) 6.491 2.807 ( 0.030 4.254 0.111) 4.255 2.891 ( 1.259 -0.484 0.418) 1.412 2.977 ( 0.786 -1.845 -0.017) 2.006 3.179 ( -0.872 -5.639 1.053) 5.803 4.057 ( 1.412 -7.146 -8.812) 11.433 4.261 ( 0.203 0.679 -0.176) 0.730 4.489 ( 0.258 -8.218 6.145) 10.264 5.625 ( 0.701 5.123 -0.921) 5.252 5.675 ( 0.669 0.276 -0.827) 1.099 8.846 ( -0.997 0.890 -2.867) 3.163 8.930 ( -0.733 1.988 -2.118) 2.996 9.546 ( -0.665 0.183 -17.719) 17.733 9.804 ( 0.477 -0.886 2.685) 2.868 9.901 ( 0.477 0.219 17.169) 17.177 9.927 ( -1.023 1.439 -4.803) 5.117 10.208 ( -4.045 4.570 -7.929) 10.006 10.328 ( 3.946 0.121 -9.243) 10.051 10.628 ( -0.253 -11.341 -3.048) 11.746 11.480 ( -0.608 5.554 -4.424) 7.127 11.951 ( 0.061 -1.092 -3.929) 4.078 12.217 ( 2.251 -1.970 18.068) 18.314 15.838 ( -3.132 5.915 -1.965) 6.975 15.920 ( -2.166 -0.585 0.575) 2.316 16.139 ( 4.749 -4.517 -7.573) 10.015 16.277 ( -1.692 -1.805 4.341) 4.997 16.573 ( 0.550 2.600 3.105) 4.087 16.838 ( -2.446 5.489 2.455) 6.491 16.918 ( -4.388 0.345 0.757) 4.466 17.083 ( 3.495 -3.996 5.130) 7.382 17.898 ( 0.845 -0.421 -1.153) 1.490 18.160 ( 2.472 -2.925 2.141) 4.388 18.836 ( -2.934 0.307 -14.824) 15.115 19.146 ( 4.041 1.167 15.052) 15.629 ======================= Grid point 155 (73/112) ======================= q-point: (-0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 0.000 -19.767) 19.767 1.869 ( 0.000 0.000 -19.767) 19.767 2.554 ( 0.000 0.000 -7.353) 7.353 2.742 ( -0.000 -0.000 2.842) 2.842 2.805 ( -0.000 -0.000 3.415) 3.415 2.805 ( -0.000 -0.000 3.415) 3.415 3.464 ( -0.000 -0.000 3.594) 3.594 4.036 ( 0.000 0.000 -8.480) 8.480 4.165 ( 0.000 0.000 -1.246) 1.246 4.761 ( 0.000 0.000 -9.053) 9.053 5.028 ( 0.000 0.000 -6.850) 6.850 5.028 ( 0.000 0.000 -6.850) 6.850 8.801 ( 0.000 0.000 -9.204) 9.204 8.801 ( 0.000 0.000 -9.204) 9.204 8.938 ( 0.000 0.000 -14.422) 14.422 9.262 ( 0.000 0.000 -49.704) 49.704 9.751 ( 0.000 0.000 -8.131) 8.131 9.865 ( 0.000 0.000 -2.339) 2.339 9.865 ( 0.000 0.000 -2.339) 2.339 10.489 ( -0.000 -0.000 14.226) 14.226 10.788 ( 0.000 0.000 -1.659) 1.659 10.788 ( 0.000 0.000 -1.659) 1.659 12.314 ( 0.000 0.000 -3.111) 3.111 12.650 ( -0.000 -0.000 24.117) 24.117 16.131 ( -0.000 -0.000 1.017) 1.017 16.131 ( -0.000 -0.000 1.017) 1.017 16.455 ( -0.000 -0.000 9.084) 9.084 16.455 ( -0.000 -0.000 9.084) 9.084 16.709 ( -0.000 -0.000 8.104) 8.104 16.907 ( -0.000 -0.000 16.342) 16.342 17.300 ( -0.000 -0.000 6.412) 6.412 17.477 ( 0.000 0.000 -6.960) 6.960 18.009 ( 0.000 0.000 -4.468) 4.468 18.009 ( 0.000 0.000 -4.468) 4.468 18.346 ( 0.000 0.000 -13.915) 13.915 18.566 ( -0.000 -0.000 8.781) 8.781 ======================= Grid point 157 (74/112) ======================= q-point: (-0.15 -0.15 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 7.905 7.905 -2.133) 11.381 2.359 ( 10.211 10.211 -13.357) 19.671 2.726 ( 1.163 1.163 1.082) 1.969 2.857 ( 2.293 2.293 4.879) 5.859 2.883 ( 4.230 4.230 2.229) 6.384 2.975 ( -0.389 -0.389 -0.884) 1.041 3.365 ( -3.193 -3.193 4.267) 6.212 3.582 ( -12.084 -12.084 -14.145) 22.184 4.213 ( 1.494 1.494 -1.268) 2.464 4.710 ( 3.426 3.426 2.947) 5.670 5.445 ( 7.556 7.556 -4.184) 11.476 5.494 ( 3.192 3.192 -4.541) 6.403 8.506 ( 0.240 0.240 -33.711) 33.713 8.520 ( -3.149 -3.149 -16.807) 17.387 8.887 ( -0.832 -0.832 -14.889) 14.935 9.112 ( -7.372 -7.372 -20.810) 23.275 9.658 ( -0.743 -0.743 -5.701) 5.797 9.972 ( 0.771 0.771 -6.199) 6.294 9.978 ( 0.868 0.868 0.785) 1.457 10.536 ( 0.890 0.890 14.413) 14.467 10.700 ( -1.189 -1.189 4.502) 4.806 11.018 ( 2.730 2.730 -10.252) 10.955 12.478 ( -1.506 -1.506 20.861) 20.969 12.554 ( 3.195 3.195 -1.990) 4.937 15.720 ( -5.846 -5.846 -8.361) 11.758 15.984 ( -5.825 -5.825 4.001) 9.159 16.179 ( -2.334 -2.334 7.527) 8.219 16.343 ( 3.691 3.691 2.606) 5.834 16.701 ( -2.118 -2.118 0.175) 3.000 17.179 ( 3.515 3.515 12.142) 13.121 17.189 ( -6.404 -6.404 4.416) 10.075 17.431 ( 3.243 3.243 11.870) 12.725 17.770 ( -0.424 -0.424 -2.563) 2.632 18.074 ( 5.729 5.729 -3.544) 8.843 18.398 ( -0.725 -0.725 -6.486) 6.566 19.549 ( 7.592 7.592 10.164) 14.785 ======================= Grid point 158 (75/112) ======================= q-point: (-0.15 -0.15 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 0.000 0.000 3.533) 3.533 2.661 ( 0.000 0.000 -6.244) 6.244 2.802 ( 0.000 0.000 -3.640) 3.640 2.912 ( -0.000 -0.000 -0.036) 0.036 2.923 ( 0.000 0.000 5.074) 5.074 3.009 ( 0.000 0.000 2.186) 2.186 3.233 ( -0.000 -0.000 -21.251) 21.251 3.249 ( 0.000 0.000 5.906) 5.906 4.249 ( 0.000 0.000 -0.770) 0.770 4.783 ( 0.000 0.000 7.779) 7.779 5.552 ( 0.000 0.000 -4.413) 4.413 5.618 ( 0.000 0.000 -2.167) 2.167 8.460 ( 0.000 0.000 -18.469) 18.469 8.647 ( 0.000 0.000 -51.748) 51.748 8.810 ( 0.000 0.000 -3.744) 3.744 8.868 ( 0.000 0.000 -15.325) 15.325 9.644 ( 0.000 0.000 -5.971) 5.971 9.986 ( 0.000 0.000 -7.423) 7.423 9.994 ( -0.000 -0.000 2.746) 2.746 10.557 ( 0.000 0.000 14.699) 14.699 10.674 ( 0.000 0.000 6.612) 6.612 11.075 ( 0.000 0.000 -13.973) 13.973 12.452 ( 0.000 0.000 20.669) 20.669 12.621 ( 0.000 0.000 -1.311) 1.311 15.596 ( 0.000 0.000 -11.136) 11.136 15.861 ( 0.000 0.000 4.118) 4.118 16.131 ( 0.000 0.000 7.747) 7.747 16.437 ( 0.000 0.000 0.804) 0.804 16.652 ( 0.000 0.000 1.612) 1.612 17.047 ( 0.000 0.000 4.615) 4.615 17.258 ( 0.000 0.000 11.523) 11.523 17.505 ( 0.000 0.000 13.210) 13.210 17.745 ( 0.000 0.000 -2.865) 2.865 18.256 ( 0.000 0.000 -11.985) 11.985 18.333 ( -0.000 -0.000 4.545) 4.545 19.698 ( 0.000 0.000 10.227) 10.227 ======================= Grid point 168 (76/112) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.000 25.494 -0.000) 25.494 1.494 ( -0.000 34.522 -0.000) 34.522 2.153 ( -0.000 46.342 -0.000) 46.342 2.868 ( -0.000 0.630 -0.000) 0.630 2.962 ( -0.000 2.361 -0.000) 2.361 2.974 ( -0.000 2.760 -0.000) 2.760 3.678 ( 0.000 -1.799 0.000) 1.799 3.704 ( -0.000 8.561 -0.000) 8.561 3.961 ( 0.000 -3.266 0.000) 3.266 4.241 ( -0.000 3.726 -0.000) 3.726 4.913 ( -0.000 10.773 -0.000) 10.773 5.193 ( -0.000 15.374 -0.000) 15.374 6.210 ( 0.000 -29.402 0.000) 29.402 7.908 ( 0.000 -0.967 0.000) 0.967 7.937 ( 0.000 -0.695 0.000) 0.695 8.269 ( 0.000 -2.370 0.000) 2.370 9.587 ( 0.000 -4.911 0.000) 4.911 9.790 ( -0.000 13.161 -0.000) 13.161 9.818 ( 0.000 -5.226 0.000) 5.226 10.949 ( 0.000 -1.373 0.000) 1.373 11.136 ( -0.000 0.067 -0.000) 0.067 11.549 ( 0.000 -11.971 0.000) 11.971 11.854 ( -0.000 0.172 -0.000) 0.172 13.796 ( 0.000 -0.078 0.000) 0.078 15.850 ( 0.000 -15.414 0.000) 15.414 16.002 ( 0.000 -2.905 0.000) 2.905 16.176 ( 0.000 -6.456 0.000) 6.456 16.682 ( -0.000 0.145 -0.000) 0.145 16.692 ( -0.000 0.396 -0.000) 0.396 16.811 ( 0.000 -9.170 0.000) 9.170 17.725 ( 0.000 -5.584 0.000) 5.584 17.749 ( -0.000 18.405 -0.000) 18.405 17.993 ( -0.000 1.344 -0.000) 1.344 18.201 ( -0.000 13.607 -0.000) 13.607 18.344 ( -0.000 3.748 -0.000) 3.748 19.804 ( -0.000 7.081 -0.000) 7.081 ======================= Grid point 169 (77/112) ======================= q-point: ( 0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 1.435 24.183 -0.000) 24.226 2.027 ( -6.969 32.907 -0.000) 33.637 2.858 ( -8.362 0.545 -0.000) 8.380 2.882 ( 0.402 0.246 0.000) 0.472 2.922 ( 4.309 11.495 -0.000) 12.276 3.164 ( 5.677 3.997 0.000) 6.943 3.355 ( -31.774 11.366 -0.000) 33.746 3.633 ( -0.225 -2.094 0.000) 2.106 4.149 ( 1.764 3.940 -0.000) 4.317 4.725 ( 21.434 15.038 0.000) 26.183 5.220 ( 4.682 11.763 -0.000) 12.661 5.480 ( 0.730 13.285 -0.000) 13.305 5.641 ( 7.106 -30.910 0.000) 31.716 7.524 ( -18.873 2.115 -0.000) 18.991 8.209 ( -0.512 -2.726 0.000) 2.773 8.234 ( 14.755 -3.431 0.000) 15.149 9.486 ( 1.446 -7.516 0.000) 7.654 9.640 ( -3.339 -8.007 0.000) 8.675 10.033 ( -1.512 10.977 -0.000) 11.080 10.940 ( 1.721 -1.939 0.000) 2.593 11.083 ( -3.624 -4.210 0.000) 5.555 11.274 ( -0.785 -6.844 0.000) 6.889 11.826 ( -2.407 0.402 -0.000) 2.440 13.784 ( -1.154 0.210 -0.000) 1.173 15.426 ( -10.640 -7.428 -0.000) 12.976 15.943 ( 0.123 -2.629 0.000) 2.632 16.291 ( 15.975 -4.913 0.000) 16.713 16.641 ( -2.226 0.242 -0.000) 2.239 16.740 ( 2.206 0.005 0.000) 2.206 16.811 ( 15.176 -10.948 0.000) 18.713 17.440 ( -0.799 -15.293 0.000) 15.313 18.022 ( -0.099 1.358 -0.000) 1.362 18.069 ( -2.779 10.704 -0.000) 11.059 18.365 ( -10.833 16.290 -0.000) 19.563 18.498 ( -3.428 12.787 -0.000) 13.238 19.961 ( 2.133 4.810 -0.000) 5.261 ======================= Grid point 170 (78/112) ======================= q-point: ( 0.17 -0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -12.268 12.268 -0.000) 17.350 2.479 ( -8.161 8.161 -0.000) 11.541 2.712 ( -19.678 19.678 -0.000) 27.828 2.737 ( -3.979 3.979 -0.000) 5.628 2.916 ( -0.045 0.045 -0.000) 0.064 3.258 ( -13.354 13.354 -0.000) 18.886 3.276 ( 0.116 -0.116 0.000) 0.164 3.606 ( 0.972 -0.972 0.000) 1.375 4.208 ( -1.430 1.430 -0.000) 2.022 5.147 ( -0.562 0.562 -0.000) 0.795 5.381 ( -4.804 4.804 -0.000) 6.794 5.384 ( 21.664 -21.664 0.000) 30.637 5.703 ( -2.791 2.791 -0.000) 3.947 7.344 ( -11.199 11.199 -0.000) 15.838 8.169 ( 1.058 -1.058 0.000) 1.497 8.349 ( 8.817 -8.817 0.000) 12.469 9.357 ( 4.511 -4.511 0.000) 6.379 9.528 ( 2.803 -2.803 0.000) 3.964 10.131 ( -6.127 6.127 -0.000) 8.665 10.923 ( 1.367 -1.367 0.000) 1.933 10.979 ( 1.078 -1.078 0.000) 1.524 11.234 ( 2.559 -2.559 0.000) 3.619 11.799 ( -1.262 1.262 -0.000) 1.784 13.772 ( -0.977 0.977 -0.000) 1.381 15.240 ( -2.427 2.427 -0.000) 3.432 15.916 ( 1.346 -1.346 0.000) 1.903 16.444 ( 11.323 -11.323 0.000) 16.013 16.620 ( -1.211 1.211 -0.000) 1.712 16.764 ( 1.135 -1.135 0.000) 1.606 16.874 ( 12.682 -12.682 0.000) 17.936 17.228 ( 11.101 -11.101 0.000) 15.700 18.035 ( -0.755 0.755 -0.000) 1.067 18.133 ( -10.537 10.537 -0.000) 14.901 18.421 ( -14.260 14.260 -0.000) 20.167 18.610 ( -7.394 7.394 -0.000) 10.457 20.036 ( -0.793 0.793 -0.000) 1.122 ======================= Grid point 175 (79/112) ======================= q-point: ( 0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.000 20.380 12.300) 23.804 2.217 ( -0.000 22.976 4.419) 23.397 2.799 ( 0.000 -0.056 -3.368) 3.368 2.919 ( -0.000 8.963 1.961) 9.175 2.988 ( -0.000 4.492 -2.045) 4.936 3.007 ( -0.000 2.686 -0.292) 2.702 3.554 ( 0.000 -2.048 -3.650) 4.185 4.002 ( -0.000 8.620 4.113) 9.551 4.127 ( -0.000 6.818 2.949) 7.429 4.447 ( -0.000 13.627 3.573) 14.087 5.215 ( -0.000 12.382 2.181) 12.572 5.521 ( -0.000 10.164 2.038) 10.366 6.324 ( 0.000 -25.525 37.012) 44.960 8.187 ( -0.000 -2.218 12.535) 12.730 8.321 ( -0.000 -2.466 17.898) 18.067 8.393 ( 0.000 -2.662 8.631) 9.032 9.577 ( 0.000 -4.658 5.915) 7.529 9.656 ( 0.000 -4.968 -0.376) 4.982 9.994 ( -0.000 7.358 -0.148) 7.360 10.831 ( 0.000 -1.187 -3.939) 4.114 10.967 ( 0.000 -0.866 -7.452) 7.502 11.074 ( 0.000 -6.349 -8.201) 10.371 12.232 ( -0.000 5.491 14.909) 15.888 13.300 ( 0.000 0.819 -18.788) 18.806 15.644 ( 0.000 -10.218 2.961) 10.638 16.080 ( 0.000 -3.534 -0.779) 3.619 16.257 ( 0.000 -6.989 6.037) 9.235 16.296 ( 0.000 -8.045 -9.353) 12.337 16.558 ( 0.000 -8.510 -1.041) 8.574 16.823 ( 0.000 -0.809 0.428) 0.915 17.299 ( 0.000 -11.805 -7.162) 13.808 17.872 ( 0.000 2.083 -7.472) 7.757 18.064 ( -0.000 12.520 -1.125) 12.571 18.456 ( -0.000 13.904 -1.540) 13.989 18.504 ( -0.000 13.671 -1.104) 13.716 19.852 ( -0.000 9.115 -4.097) 9.993 ======================= Grid point 176 (80/112) ======================= q-point: ( 0.33 -0.17 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -1.764 19.572 7.935) 21.193 2.604 ( -0.849 9.693 2.968) 10.172 2.774 ( -3.914 5.070 -3.122) 7.125 2.901 ( -2.085 -0.552 -0.857) 2.321 3.006 ( -3.555 -1.550 -0.125) 3.880 3.144 ( 3.239 2.496 -3.710) 5.521 3.507 ( -0.648 -1.237 -3.573) 3.837 3.877 ( -25.009 18.592 5.814) 31.700 4.239 ( -0.194 2.800 0.439) 2.841 4.873 ( 8.453 2.321 -0.764) 8.799 5.473 ( 0.891 9.127 1.408) 9.278 5.618 ( -2.019 0.983 2.778) 3.572 6.102 ( 10.438 -6.418 38.282) 40.195 8.020 ( -8.525 3.493 17.895) 20.127 8.331 ( 2.498 -4.402 9.083) 10.398 8.356 ( 4.337 -6.306 8.548) 11.473 9.504 ( 2.061 -3.701 6.194) 7.504 9.541 ( 1.268 -6.228 6.623) 9.179 10.087 ( -2.523 4.569 -2.844) 5.944 10.818 ( 1.000 -1.314 -3.214) 3.614 10.887 ( -1.686 -3.038 -4.643) 5.799 11.003 ( 2.896 -3.154 -7.453) 8.596 12.308 ( -1.989 3.938 17.983) 18.517 13.325 ( -0.923 1.927 -19.120) 19.239 15.411 ( -5.339 -2.475 4.143) 7.197 16.070 ( 3.141 -4.440 0.812) 5.499 16.163 ( 5.064 -7.624 -8.651) 12.594 16.282 ( 10.548 -3.619 -1.587) 11.264 16.431 ( 1.721 -6.656 -4.174) 8.043 16.783 ( -2.260 -2.009 -0.904) 3.156 17.141 ( 6.333 -9.253 -1.453) 11.306 17.906 ( -0.789 1.807 -6.685) 6.969 18.231 ( -4.134 8.144 -2.390) 9.440 18.631 ( -8.154 12.321 -1.757) 14.879 18.707 ( -4.584 10.191 -2.027) 11.357 19.993 ( 0.163 3.832 -2.889) 4.802 ======================= Grid point 181 (81/112) ======================= q-point: ( 0.49 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.000 11.055 -1.502) 11.157 2.587 ( -0.000 4.702 -0.913) 4.790 2.665 ( -0.000 4.094 -3.590) 5.445 2.843 ( 0.000 -0.694 -3.883) 3.944 2.982 ( 0.000 -0.168 -1.930) 1.937 3.008 ( 0.000 -1.456 -1.273) 1.934 3.390 ( 0.000 0.502 -2.637) 2.684 4.250 ( -0.000 1.810 0.116) 1.814 4.283 ( -0.000 6.661 1.737) 6.884 4.857 ( -0.000 9.588 3.044) 10.059 5.465 ( -0.000 6.574 -0.222) 6.578 5.672 ( -0.000 0.403 -0.169) 0.437 7.909 ( -0.000 -2.057 43.006) 43.055 8.552 ( 0.000 -4.859 8.415) 9.717 8.833 ( -0.000 -1.789 15.338) 15.442 8.928 ( 0.000 -12.589 19.994) 23.628 9.811 ( -0.000 2.514 8.765) 9.118 9.868 ( -0.000 0.083 5.970) 5.971 10.152 ( -0.000 2.223 3.336) 4.009 10.522 ( 0.000 0.049 -13.069) 13.069 10.773 ( -0.000 0.017 3.849) 3.849 10.861 ( 0.000 -2.367 4.132) 4.762 12.507 ( 0.000 1.839 -20.237) 20.320 12.823 ( -0.000 7.041 1.681) 7.239 15.599 ( 0.000 -4.522 -0.223) 4.528 15.772 ( 0.000 -8.617 -3.978) 9.491 15.932 ( 0.000 -7.488 3.552) 8.288 16.343 ( 0.000 -8.380 2.976) 8.892 16.483 ( -0.000 -0.582 5.879) 5.907 16.715 ( 0.000 -0.033 -5.410) 5.410 16.867 ( 0.000 -5.007 -5.673) 7.567 17.592 ( -0.000 4.399 -8.072) 9.193 18.123 ( -0.000 5.595 -4.643) 7.270 18.560 ( -0.000 8.931 -5.348) 10.410 18.639 ( -0.000 5.397 -2.532) 5.961 19.750 ( -0.000 6.176 -9.505) 11.335 ======================= Grid point 182 (82/112) ======================= q-point: ( 0.49 -0.18 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -4.091 4.091 -3.592) 6.809 2.730 ( -3.187 3.187 -2.521) 5.165 2.738 ( 0.298 -0.298 -3.353) 3.380 2.802 ( -0.314 0.314 -3.936) 3.961 2.926 ( 0.365 -0.365 -2.337) 2.393 3.011 ( 1.324 -1.324 -2.969) 3.511 3.391 ( -1.023 1.023 -1.962) 2.438 4.272 ( -0.615 0.615 -0.417) 0.965 4.320 ( -8.386 8.386 1.796) 11.995 4.959 ( -4.246 4.246 1.491) 6.187 5.604 ( -0.328 0.328 -1.179) 1.267 5.617 ( 0.345 -0.345 -1.356) 1.441 7.957 ( -1.552 1.552 43.737) 43.792 8.512 ( 3.787 -3.787 7.833) 9.489 8.722 ( 6.909 -6.909 19.793) 22.074 8.813 ( 0.931 -0.931 15.578) 15.634 9.823 ( -2.278 2.278 8.799) 9.371 9.884 ( 0.759 -0.759 6.523) 6.610 10.172 ( -2.038 2.038 5.013) 5.782 10.524 ( 0.215 -0.215 -12.911) 12.915 10.756 ( -0.928 0.928 0.971) 1.632 10.852 ( 3.298 -3.298 7.986) 9.249 12.531 ( -1.517 1.517 -20.289) 20.402 12.898 ( -3.655 3.655 1.317) 5.334 15.529 ( -0.297 0.297 -0.444) 0.611 15.707 ( 6.689 -6.689 -4.868) 10.639 15.832 ( 3.640 -3.640 5.624) 7.625 16.242 ( 6.522 -6.522 2.109) 9.462 16.532 ( -0.872 0.872 8.437) 8.527 16.667 ( -2.463 2.463 -5.349) 6.383 16.844 ( 4.883 -4.883 -5.768) 8.998 17.640 ( -2.051 2.051 -6.999) 7.576 18.179 ( -2.799 2.799 -5.428) 6.718 18.670 ( -4.209 4.209 -4.634) 7.544 18.672 ( -4.169 4.169 -6.801) 9.001 19.818 ( -2.083 2.083 -9.424) 9.874 ======================= Grid point 188 (83/112) ======================= q-point: (-0.35 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -0.000 7.769 -4.117) 8.793 2.555 ( -0.000 2.949 -1.745) 3.427 2.626 ( -0.000 1.952 -2.568) 3.226 2.675 ( 0.000 -2.047 -1.912) 2.801 2.818 ( 0.000 -6.466 -3.352) 7.283 2.842 ( 0.000 -5.411 -2.893) 6.136 3.358 ( -0.000 1.016 -0.241) 1.044 4.245 ( 0.000 0.026 -1.041) 1.041 4.364 ( -0.000 2.591 -2.559) 3.641 5.031 ( -0.000 7.220 -2.728) 7.719 5.429 ( 0.000 0.340 -4.720) 4.732 5.527 ( 0.000 -6.756 -3.764) 7.734 8.775 ( -0.000 0.022 7.968) 7.968 8.791 ( -0.000 -1.370 6.903) 7.038 9.490 ( -0.000 -0.817 17.879) 17.897 9.818 ( -0.000 -0.827 16.160) 16.181 9.894 ( -0.000 0.766 -2.084) 2.220 9.920 ( 0.000 0.289 -16.548) 16.551 9.935 ( 0.000 -3.082 1.958) 3.652 10.643 ( -0.000 8.921 11.480) 14.539 11.016 ( -0.000 0.170 2.475) 2.481 11.091 ( 0.000 -5.130 5.031) 7.185 12.022 ( -0.000 0.880 -0.584) 1.056 12.376 ( 0.000 1.252 -24.985) 25.016 15.665 ( -0.000 0.585 8.136) 8.157 15.726 ( 0.000 -4.843 8.985) 10.208 16.170 ( -0.000 -2.622 10.150) 10.483 16.248 ( 0.000 -2.508 1.244) 2.800 16.433 ( 0.000 -0.251 -7.306) 7.310 16.472 ( 0.000 -4.149 -4.212) 5.912 17.014 ( -0.000 4.221 6.759) 7.969 17.596 ( -0.000 10.819 4.542) 11.733 17.943 ( 0.000 0.399 -6.983) 6.995 18.393 ( 0.000 2.068 -7.645) 7.920 18.513 ( 0.000 -8.030 -2.049) 8.287 19.317 ( 0.000 2.364 -15.878) 16.053 ======================= Grid point 194 (84/112) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.000 0.000 -15.493) 15.493 2.224 ( 0.000 0.000 -15.493) 15.493 2.638 ( 0.000 0.000 -1.880) 1.880 2.682 ( -0.000 -0.000 2.941) 2.941 2.739 ( -0.000 -0.000 2.945) 2.945 2.739 ( -0.000 -0.000 2.945) 2.945 3.405 ( -0.000 -0.000 2.225) 2.225 4.191 ( 0.000 0.000 -6.897) 6.897 4.192 ( 0.000 0.000 -1.383) 1.383 4.932 ( 0.000 0.000 -7.683) 7.683 5.170 ( 0.000 0.000 -7.105) 7.105 5.170 ( 0.000 0.000 -7.105) 7.105 8.917 ( 0.000 0.000 -2.330) 2.330 8.917 ( 0.000 0.000 -2.330) 2.330 9.248 ( 0.000 0.000 -16.308) 16.308 9.879 ( -0.000 -0.000 0.492) 0.492 9.879 ( -0.000 -0.000 0.492) 0.492 9.920 ( 0.000 0.000 -7.986) 7.986 10.181 ( -0.000 -0.000 16.293) 16.293 10.229 ( 0.000 0.000 -44.330) 44.330 10.878 ( 0.000 0.000 -6.386) 6.386 10.878 ( 0.000 0.000 -6.386) 6.386 12.183 ( -0.000 -0.000 20.683) 20.683 12.291 ( -0.000 -0.000 5.408) 5.408 16.097 ( -0.000 -0.000 4.884) 4.884 16.097 ( -0.000 -0.000 4.884) 4.884 16.284 ( -0.000 -0.000 5.045) 5.045 16.284 ( -0.000 -0.000 5.045) 5.045 16.536 ( -0.000 -0.000 9.108) 9.108 16.595 ( -0.000 -0.000 14.100) 14.100 17.199 ( -0.000 -0.000 3.779) 3.779 17.626 ( 0.000 0.000 -7.766) 7.766 18.115 ( 0.000 0.000 -6.041) 6.041 18.115 ( 0.000 0.000 -6.041) 6.041 18.335 ( -0.000 -0.000 14.003) 14.003 18.655 ( 0.000 0.000 -16.592) 16.592 ======================= Grid point 197 (85/112) ======================= q-point: (-0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.000 -0.000 2.814) 2.814 2.764 ( 0.000 0.000 -3.145) 3.145 2.820 ( 0.000 0.000 1.105) 1.105 2.852 ( 0.000 0.000 1.151) 1.151 2.914 ( 0.000 0.000 -0.093) 0.093 2.975 ( 0.000 0.000 1.344) 1.344 3.146 ( -0.000 -0.000 4.216) 4.216 3.641 ( 0.000 0.000 -19.058) 19.058 4.262 ( 0.000 0.000 -0.474) 0.474 4.606 ( 0.000 0.000 9.798) 9.798 5.629 ( 0.000 0.000 -3.132) 3.132 5.658 ( 0.000 0.000 -1.742) 1.742 8.740 ( 0.000 0.000 -9.446) 9.446 8.888 ( 0.000 0.000 -3.868) 3.868 9.196 ( -0.000 -0.000 -17.119) 17.119 9.624 ( 0.000 0.000 -43.335) 43.335 9.800 ( 0.000 0.000 -8.678) 8.678 9.893 ( 0.000 0.000 5.998) 5.998 10.171 ( 0.000 0.000 -10.422) 10.422 10.244 ( 0.000 0.000 16.326) 16.326 10.549 ( -0.000 -0.000 5.550) 5.550 11.358 ( 0.000 0.000 -12.657) 12.657 12.079 ( 0.000 0.000 15.057) 15.057 12.516 ( 0.000 0.000 11.647) 11.647 15.835 ( -0.000 -0.000 -12.267) 12.267 15.852 ( 0.000 0.000 -2.705) 2.705 15.993 ( 0.000 0.000 5.746) 5.746 16.380 ( 0.000 0.000 4.654) 4.654 16.622 ( -0.000 -0.000 1.362) 1.362 16.965 ( 0.000 0.000 3.498) 3.498 17.053 ( 0.000 0.000 8.383) 8.383 17.229 ( 0.000 0.000 13.503) 13.503 17.814 ( 0.000 0.000 -3.955) 3.955 18.230 ( 0.000 0.000 5.473) 5.473 18.525 ( 0.000 0.000 -14.697) 14.697 19.458 ( 0.000 0.000 13.601) 13.601 ======================= Grid point 214 (86/112) ======================= q-point: ( 0.29 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -0.000 24.422 15.093) 28.710 2.146 ( -0.000 26.426 2.485) 26.542 2.855 ( 0.000 0.205 -2.074) 2.084 2.873 ( -0.000 17.551 1.922) 17.656 3.013 ( -0.000 2.937 -0.325) 2.955 3.023 ( -0.000 3.272 -1.179) 3.478 3.613 ( 0.000 -2.341 -2.138) 3.170 3.929 ( -0.000 10.194 2.896) 10.597 4.068 ( -0.000 9.947 2.550) 10.269 4.398 ( -0.000 13.543 1.424) 13.618 5.180 ( -0.000 13.795 1.197) 13.847 5.488 ( -0.000 11.591 1.089) 11.642 5.756 ( 0.000 -31.466 18.896) 36.704 7.971 ( -0.000 -1.351 8.103) 8.215 8.025 ( -0.000 -1.719 10.771) 10.907 8.260 ( 0.000 -2.954 4.525) 5.404 9.492 ( 0.000 -6.501 2.634) 7.014 9.669 ( 0.000 -8.015 -0.666) 8.043 10.023 ( -0.000 10.694 -2.110) 10.900 10.896 ( 0.000 -1.441 -2.373) 2.777 11.082 ( 0.000 -1.210 -3.911) 4.094 11.224 ( 0.000 -11.064 -5.966) 12.570 11.965 ( -0.000 1.867 10.371) 10.538 13.640 ( 0.000 1.126 -14.037) 14.082 15.595 ( 0.000 -11.310 1.759) 11.446 16.047 ( 0.000 -5.474 6.663) 8.623 16.104 ( 0.000 -3.048 3.762) 4.842 16.490 ( 0.000 -6.242 -9.486) 11.355 16.640 ( 0.000 -2.074 -4.948) 5.365 16.780 ( 0.000 -1.467 3.866) 4.135 17.414 ( 0.000 -16.234 -4.110) 16.746 17.986 ( -0.000 1.516 -3.729) 4.025 18.078 ( -0.000 13.865 -0.314) 13.869 18.478 ( -0.000 14.390 -0.699) 14.407 18.529 ( -0.000 13.641 -1.128) 13.688 19.914 ( -0.000 7.055 -2.106) 7.362 ======================= Grid point 215 (87/112) ======================= q-point: ( 0.29 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -4.533 23.229 11.868) 26.476 2.557 ( -1.638 15.222 1.574) 15.390 2.835 ( -5.895 3.381 -2.846) 7.368 2.907 ( -2.471 0.361 0.315) 2.518 3.001 ( -4.537 -0.911 0.466) 4.651 3.208 ( 4.221 2.682 -2.398) 5.546 3.567 ( 0.241 -1.899 -2.215) 2.928 3.774 ( -28.466 21.711 4.029) 36.026 4.231 ( -0.403 3.317 0.303) 3.355 4.908 ( 11.272 -3.422 -3.173) 12.199 5.337 ( 9.223 -9.102 19.845) 23.701 5.460 ( -0.421 9.378 1.776) 9.554 5.719 ( 2.175 7.757 2.815) 8.534 7.715 ( -12.397 4.622 11.353) 17.433 8.189 ( 6.891 -5.130 5.007) 9.943 8.210 ( 4.281 -4.088 5.434) 8.036 9.364 ( 1.501 -7.757 5.214) 9.466 9.488 ( 1.422 -7.453 1.070) 7.662 10.173 ( -3.199 7.015 -4.737) 9.049 10.877 ( 0.910 -1.765 -2.278) 3.022 10.963 ( -2.153 -3.969 -2.709) 5.265 11.122 ( 3.865 -4.059 -4.172) 6.987 11.975 ( -1.517 1.248 13.589) 13.730 13.656 ( -1.024 1.404 -12.850) 12.967 15.345 ( -5.114 -2.997 2.270) 6.347 15.969 ( 1.138 -3.292 6.319) 7.215 16.210 ( 10.802 -4.090 0.228) 11.553 16.463 ( 7.830 -4.625 -10.878) 14.178 16.587 ( 0.020 -2.768 -9.191) 9.599 16.765 ( 0.515 -3.321 2.651) 4.280 17.131 ( 4.658 -13.212 2.211) 14.183 18.011 ( -0.579 1.357 -3.607) 3.897 18.267 ( -4.175 8.774 -1.184) 9.788 18.654 ( -8.878 12.867 -0.644) 15.646 18.734 ( -4.952 10.823 -0.789) 11.928 20.030 ( 0.228 3.259 -1.001) 3.417 ======================= Grid point 220 (88/112) ======================= q-point: ( 0.45 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -0.000 15.830 1.481) 15.899 2.594 ( -0.000 9.076 0.194) 9.078 2.743 ( -0.000 3.277 -3.994) 5.166 2.920 ( 0.000 0.128 -3.618) 3.620 3.021 ( 0.000 0.431 -1.894) 1.943 3.031 ( 0.000 0.243 -1.069) 1.097 3.450 ( 0.000 -0.712 -3.255) 3.332 4.241 ( -0.000 8.532 2.306) 8.838 4.246 ( -0.000 2.830 0.346) 2.851 4.791 ( -0.000 10.151 3.164) 10.633 5.464 ( -0.000 9.135 0.234) 9.138 5.670 ( -0.000 2.284 0.388) 2.316 6.931 ( -0.000 -4.708 51.039) 51.255 8.362 ( 0.000 -4.126 10.535) 11.314 8.553 ( -0.000 -2.286 12.398) 12.607 8.577 ( 0.000 -8.883 16.507) 18.745 9.647 ( -0.000 -0.913 7.133) 7.191 9.685 ( -0.000 -1.892 10.955) 11.117 10.096 ( -0.000 2.233 1.585) 2.739 10.734 ( 0.000 -0.153 -5.258) 5.260 10.783 ( 0.000 -1.107 -6.969) 7.057 10.853 ( 0.000 -4.331 -2.668) 5.087 12.661 ( -0.000 6.534 13.517) 15.014 12.927 ( 0.000 2.086 -21.033) 21.136 15.568 ( 0.000 -4.483 3.588) 5.742 15.895 ( 0.000 -6.797 -7.489) 10.113 15.957 ( 0.000 -8.863 -6.092) 10.755 16.258 ( 0.000 -5.925 5.141) 7.844 16.392 ( 0.000 -4.648 2.628) 5.339 16.798 ( 0.000 0.276 -2.736) 2.750 16.986 ( 0.000 -7.132 -5.453) 8.978 17.761 ( -0.000 2.887 -8.387) 8.870 18.208 ( -0.000 6.990 -3.702) 7.910 18.655 ( -0.000 10.740 -4.028) 11.471 18.698 ( -0.000 9.022 -3.068) 9.529 19.904 ( -0.000 5.740 -5.844) 8.192 ======================= Grid point 221 (89/112) ======================= q-point: ( 0.45 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -3.650 3.650 -2.934) 5.937 2.767 ( -6.758 6.758 -0.672) 9.581 2.810 ( -1.258 1.258 -3.663) 4.072 2.874 ( -1.187 1.187 -3.095) 3.521 2.958 ( -0.341 0.341 -0.959) 1.073 3.080 ( 1.142 -1.142 -3.934) 4.253 3.437 ( -0.405 0.405 -2.579) 2.642 4.276 ( -11.550 11.550 2.434) 16.515 4.279 ( -1.051 1.051 -0.223) 1.503 4.903 ( 0.582 -0.582 4.227) 4.306 5.618 ( -2.265 2.265 -0.339) 3.221 5.640 ( -0.886 0.886 -0.826) 1.501 6.971 ( -0.738 0.738 50.083) 50.094 8.354 ( 4.804 -4.804 8.008) 10.501 8.391 ( 2.728 -2.728 15.437) 15.911 8.526 ( 1.102 -1.102 12.795) 12.889 9.618 ( -0.944 0.944 10.382) 10.467 9.687 ( 2.227 -2.227 12.310) 12.706 10.113 ( -1.139 1.139 0.844) 1.818 10.742 ( 0.117 -0.117 -7.432) 7.433 10.767 ( 1.335 -1.335 0.559) 1.969 10.797 ( 2.109 -2.109 -5.823) 6.542 12.731 ( -3.367 3.367 14.388) 15.155 12.953 ( -1.565 1.565 -21.208) 21.324 15.497 ( -1.415 1.415 4.444) 4.874 15.841 ( 5.085 -5.085 -6.954) 10.003 15.855 ( 6.037 -6.037 -9.335) 12.650 16.184 ( 6.443 -6.443 3.603) 9.799 16.394 ( 0.295 -0.295 4.777) 4.796 16.756 ( -2.505 2.505 -3.231) 4.795 16.945 ( 5.822 -5.822 -3.767) 9.054 17.792 ( -1.430 1.430 -7.765) 8.024 18.278 ( -3.485 3.485 -4.340) 6.567 18.761 ( -6.271 6.271 -4.153) 9.794 18.790 ( -4.904 4.904 -4.879) 8.479 19.967 ( -1.865 1.865 -5.540) 6.137 ======================= Grid point 227 (90/112) ======================= q-point: ( 0.61 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -0.000 2.016 -1.947) 2.802 2.604 ( -0.000 8.100 -3.831) 8.960 2.687 ( -0.000 2.842 -3.444) 4.465 2.734 ( 0.000 -1.719 -3.762) 4.136 2.893 ( 0.000 -4.349 -3.672) 5.692 2.905 ( 0.000 -3.349 -3.204) 4.635 3.372 ( -0.000 0.824 -1.096) 1.371 4.264 ( -0.000 0.441 -0.830) 0.940 4.399 ( -0.000 3.856 -1.046) 3.996 5.051 ( -0.000 6.694 0.643) 6.725 5.511 ( -0.000 2.018 -3.466) 4.011 5.593 ( 0.000 -4.604 -2.847) 5.413 8.561 ( -0.000 3.259 14.910) 15.262 8.636 ( 0.000 -2.601 8.188) 8.591 9.135 ( -0.000 -0.927 17.298) 17.322 9.234 ( -0.000 -8.769 36.395) 37.437 9.927 ( -0.000 0.582 -0.396) 0.704 9.940 ( 0.000 -0.592 0.703) 0.918 10.240 ( 0.000 0.112 -15.117) 15.117 10.382 ( -0.000 5.775 12.273) 13.564 10.909 ( -0.000 0.409 7.356) 7.367 10.951 ( 0.000 -3.073 8.239) 8.794 12.187 ( 0.000 1.723 -14.516) 14.618 12.796 ( 0.000 3.015 -14.857) 15.159 15.552 ( 0.000 -1.275 2.782) 3.060 15.603 ( 0.000 -5.823 2.836) 6.477 15.969 ( 0.000 -3.613 9.770) 10.417 16.214 ( 0.000 -5.653 1.701) 5.903 16.583 ( 0.000 -0.123 -7.345) 7.346 16.587 ( 0.000 -0.128 -5.389) 5.391 16.826 ( -0.000 1.808 10.438) 10.593 17.567 ( -0.000 4.284 -2.034) 4.742 18.080 ( 0.000 1.845 -6.665) 6.916 18.551 ( -0.000 3.773 -7.919) 8.772 18.599 ( 0.000 -0.786 -5.818) 5.871 19.611 ( 0.000 2.765 -13.159) 13.446 ======================= Grid point 233 (91/112) ======================= q-point: (-0.23 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.000 0.000 -10.870) 10.870 2.489 ( 0.000 0.000 -10.870) 10.870 2.631 ( -0.000 -0.000 1.990) 1.990 2.656 ( 0.000 0.000 -0.436) 0.436 2.698 ( -0.000 -0.000 0.845) 0.845 2.698 ( -0.000 -0.000 0.845) 0.845 3.375 ( -0.000 -0.000 0.877) 0.877 4.219 ( 0.000 0.000 -1.329) 1.329 4.310 ( 0.000 0.000 -4.984) 4.984 5.061 ( 0.000 0.000 -5.015) 5.015 5.309 ( 0.000 0.000 -6.620) 6.620 5.309 ( 0.000 0.000 -6.620) 6.620 8.898 ( -0.000 -0.000 3.953) 3.953 8.898 ( -0.000 -0.000 3.953) 3.953 9.585 ( 0.000 0.000 -16.994) 16.994 9.840 ( -0.000 -0.000 17.553) 17.553 9.874 ( 0.000 0.000 -0.469) 0.469 9.874 ( 0.000 0.000 -0.469) 0.469 10.018 ( -0.000 -0.000 0.231) 0.231 10.864 ( 0.000 0.000 -12.114) 12.114 10.996 ( 0.000 0.000 -4.238) 4.238 10.996 ( 0.000 0.000 -4.238) 4.238 11.977 ( 0.000 0.000 -6.524) 6.524 12.128 ( -0.000 -0.000 9.017) 9.017 15.900 ( -0.000 -0.000 12.135) 12.135 15.900 ( -0.000 -0.000 12.135) 12.135 16.304 ( 0.000 0.000 -4.803) 4.803 16.304 ( 0.000 0.000 -4.803) 4.803 16.345 ( -0.000 -0.000 9.879) 9.879 16.359 ( -0.000 -0.000 9.203) 9.203 17.138 ( -0.000 -0.000 2.684) 2.684 17.785 ( 0.000 0.000 -8.072) 8.072 18.022 ( -0.000 -0.000 16.451) 16.451 18.251 ( 0.000 0.000 -7.547) 7.547 18.251 ( 0.000 0.000 -7.547) 7.547 19.000 ( 0.000 0.000 -17.406) 17.406 ======================= Grid point 236 (92/112) ======================= q-point: (-0.23 -0.23 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -0.000 -0.000 1.066) 1.066 2.775 ( 0.000 0.000 0.152) 0.152 2.788 ( 0.000 0.000 1.446) 1.446 2.890 ( 0.000 0.000 -3.127) 3.127 2.915 ( -0.000 -0.000 -0.072) 0.072 2.943 ( 0.000 0.000 2.032) 2.032 3.086 ( -0.000 -0.000 1.561) 1.561 3.974 ( 0.000 0.000 -12.532) 12.532 4.268 ( 0.000 0.000 -0.160) 0.160 4.402 ( 0.000 0.000 9.253) 9.253 5.674 ( 0.000 0.000 -1.311) 1.311 5.682 ( 0.000 0.000 -0.479) 0.479 8.856 ( 0.000 0.000 -2.644) 2.644 8.951 ( 0.000 0.000 -1.912) 1.912 9.548 ( -0.000 -0.000 -17.796) 17.796 9.794 ( 0.000 0.000 2.959) 2.959 9.903 ( 0.000 0.000 17.426) 17.426 9.944 ( 0.000 0.000 -4.356) 4.356 10.272 ( 0.000 0.000 -18.149) 18.149 10.357 ( 0.000 0.000 -6.024) 6.024 10.465 ( -0.000 -0.000 2.432) 2.432 11.540 ( 0.000 0.000 -4.801) 4.801 11.937 ( -0.000 -0.000 -3.395) 3.395 12.194 ( 0.000 0.000 18.161) 18.161 15.911 ( 0.000 0.000 2.150) 2.150 15.927 ( 0.000 0.000 -3.158) 3.158 16.070 ( 0.000 0.000 -10.706) 10.706 16.255 ( 0.000 0.000 7.716) 7.716 16.599 ( 0.000 0.000 0.788) 0.788 16.915 ( 0.000 0.000 1.136) 1.136 16.934 ( 0.000 0.000 3.315) 3.315 17.012 ( -0.000 -0.000 6.509) 6.509 17.891 ( 0.000 0.000 -3.004) 3.004 18.131 ( 0.000 0.000 3.615) 3.615 18.837 ( 0.000 0.000 -16.107) 16.107 19.160 ( 0.000 0.000 15.747) 15.747 ======================= Grid point 253 (93/112) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 27.284 -0.000) 27.284 2.120 ( -0.000 27.579 -0.000) 27.579 2.853 ( -0.000 20.767 -0.000) 20.767 2.877 ( -0.000 0.228 -0.000) 0.228 3.017 ( -0.000 3.080 -0.000) 3.080 3.034 ( -0.000 3.146 -0.000) 3.146 3.635 ( 0.000 -2.443 0.000) 2.443 3.898 ( -0.000 10.880 -0.000) 10.880 4.040 ( -0.000 11.022 -0.000) 11.022 4.385 ( -0.000 13.331 -0.000) 13.331 5.168 ( -0.000 14.302 -0.000) 14.302 5.479 ( -0.000 12.919 -0.000) 12.919 5.566 ( 0.000 -34.470 0.000) 34.470 7.887 ( 0.000 -1.116 0.000) 1.116 7.914 ( 0.000 -1.546 0.000) 1.546 8.214 ( 0.000 -3.078 0.000) 3.078 9.467 ( 0.000 -7.110 0.000) 7.110 9.677 ( 0.000 -9.084 0.000) 9.084 10.049 ( -0.000 12.293 -0.000) 12.293 10.921 ( 0.000 -1.504 0.000) 1.504 11.122 ( 0.000 -1.349 0.000) 1.349 11.287 ( 0.000 -13.347 0.000) 13.347 11.856 ( 0.000 -0.253 0.000) 0.253 13.797 ( -0.000 0.248 -0.000) 0.248 15.577 ( 0.000 -11.717 0.000) 11.717 15.942 ( 0.000 -3.018 0.000) 3.018 16.084 ( 0.000 -2.484 0.000) 2.484 16.643 ( 0.000 -7.373 0.000) 7.373 16.685 ( -0.000 0.167 -0.000) 0.167 16.697 ( -0.000 0.104 -0.000) 0.104 17.457 ( 0.000 -18.323 0.000) 18.323 18.023 ( -0.000 1.564 -0.000) 1.564 18.080 ( -0.000 14.393 -0.000) 14.393 18.485 ( -0.000 14.480 -0.000) 14.480 18.542 ( -0.000 13.027 -0.000) 13.027 19.936 ( -0.000 5.891 -0.000) 5.891 ======================= Grid point 254 (94/112) ======================= q-point: ( 0.25 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -5.841 24.986 -0.000) 25.660 2.541 ( -1.927 17.319 -0.000) 17.426 2.879 ( -9.841 1.647 -0.000) 9.978 2.891 ( 0.161 1.595 -0.000) 1.603 2.995 ( -4.635 -0.459 -0.000) 4.657 3.233 ( 4.568 2.687 0.000) 5.300 3.590 ( 0.610 -2.122 0.000) 2.208 3.731 ( -29.606 22.898 -0.000) 37.428 4.228 ( -0.510 3.514 -0.000) 3.551 5.009 ( 14.458 -31.573 0.000) 34.726 5.053 ( 10.025 16.521 -0.000) 19.324 5.448 ( -1.365 10.607 -0.000) 10.695 5.704 ( 0.931 8.677 -0.000) 8.727 7.596 ( -13.624 4.903 -0.000) 14.480 8.136 ( 12.230 -6.122 0.000) 13.677 8.155 ( 0.416 -2.507 0.000) 2.541 9.312 ( 0.565 -8.945 0.000) 8.963 9.478 ( 1.981 -8.168 0.000) 8.405 10.230 ( -3.505 8.404 -0.000) 9.105 10.901 ( 1.006 -1.846 0.000) 2.102 10.991 ( -2.416 -4.343 0.000) 4.969 11.164 ( 4.213 -4.513 0.000) 6.174 11.827 ( -1.261 -0.291 -0.000) 1.294 13.794 ( -1.084 0.823 -0.000) 1.361 15.322 ( -4.946 -3.222 -0.000) 5.903 15.895 ( 0.777 -2.129 0.000) 2.267 16.206 ( 10.804 -3.405 0.000) 11.328 16.634 ( 10.298 -6.840 0.000) 12.363 16.651 ( -1.876 0.717 -0.000) 2.008 16.733 ( 1.861 -0.681 0.000) 1.982 17.092 ( 3.141 -17.627 0.000) 17.905 18.048 ( -0.462 1.202 -0.000) 1.288 18.279 ( -4.144 9.002 -0.000) 9.910 18.660 ( -9.165 13.016 -0.000) 15.919 18.741 ( -5.120 10.982 -0.000) 12.117 20.039 ( 0.246 3.022 -0.000) 3.032 ======================= Grid point 259 (95/112) ======================= q-point: ( 0.41 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.000 21.628 7.459) 22.878 2.584 ( -0.000 12.736 0.726) 12.756 2.817 ( -0.000 2.569 -3.255) 4.146 2.982 ( -0.000 0.767 -2.438) 2.556 3.052 ( -0.000 1.715 -1.044) 2.008 3.057 ( -0.000 1.379 -1.663) 2.160 3.515 ( 0.000 -1.770 -3.008) 3.490 4.194 ( -0.000 10.335 2.347) 10.598 4.237 ( -0.000 3.997 0.482) 4.026 4.741 ( -0.000 8.574 1.567) 8.716 5.458 ( -0.000 11.353 0.248) 11.355 5.642 ( -0.000 1.066 4.681) 4.801 5.983 ( -0.000 -3.242 38.878) 39.013 8.139 ( -0.000 -2.517 11.142) 11.422 8.250 ( 0.000 -4.741 15.600) 16.304 8.338 ( 0.000 -2.742 8.938) 9.350 9.480 ( 0.000 -4.890 8.664) 9.948 9.532 ( 0.000 -6.842 4.219) 8.038 10.112 ( -0.000 4.442 -3.259) 5.509 10.807 ( 0.000 -1.140 -3.456) 3.640 10.933 ( 0.000 -6.867 -4.614) 8.273 10.945 ( 0.000 -1.174 -7.082) 7.179 12.329 ( -0.000 4.138 18.204) 18.669 13.335 ( 0.000 2.278 -19.165) 19.300 15.482 ( 0.000 -6.027 4.301) 7.405 16.015 ( 0.000 -2.965 -2.556) 3.915 16.140 ( 0.000 -7.173 -11.168) 13.273 16.143 ( 0.000 -4.732 5.802) 7.487 16.416 ( 0.000 -5.403 -5.835) 7.952 16.820 ( -0.000 0.291 0.699) 0.757 17.069 ( 0.000 -10.540 -2.553) 10.845 17.915 ( -0.000 1.972 -6.593) 6.881 18.269 ( -0.000 8.119 -2.435) 8.477 18.719 ( -0.000 11.814 -2.326) 12.041 18.752 ( -0.000 10.687 -2.162) 10.903 19.990 ( -0.000 5.014 -2.842) 5.764 ======================= Grid point 260 (96/112) ======================= q-point: ( 0.41 -0.26 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -3.216 3.216 -1.885) 4.924 2.733 ( -12.182 12.182 4.575) 17.825 2.878 ( -3.189 3.189 -2.923) 5.375 2.923 ( -1.816 1.816 -1.771) 3.119 2.970 ( -0.645 0.645 -0.441) 1.014 3.163 ( 1.163 -1.163 -3.986) 4.312 3.491 ( 0.463 -0.463 -2.591) 2.673 4.226 ( -14.466 14.466 2.398) 20.598 4.282 ( -1.449 1.449 -0.062) 2.050 4.773 ( 9.662 -9.662 9.229) 16.489 5.621 ( -4.127 4.127 -0.021) 5.836 5.627 ( -2.585 2.585 3.941) 5.375 6.103 ( -2.846 2.846 31.544) 31.800 8.079 ( -2.056 2.056 15.183) 15.459 8.193 ( 5.868 -5.868 7.825) 11.406 8.305 ( 1.366 -1.366 9.133) 9.335 9.431 ( 3.414 -3.414 11.946) 12.884 9.442 ( 3.143 -3.143 6.781) 8.108 10.153 ( -2.149 2.149 -4.724) 5.617 10.797 ( 0.820 -0.820 -2.701) 2.939 10.838 ( 1.733 -1.733 -3.786) 4.510 10.948 ( 2.114 -2.114 -6.955) 7.571 12.371 ( -2.226 2.226 19.994) 20.240 13.362 ( -1.499 1.499 -18.906) 19.025 15.393 ( -0.220 0.220 5.006) 5.016 16.004 ( 2.326 -2.326 -0.220) 3.296 16.035 ( 4.189 -4.189 -9.824) 11.471 16.159 ( 7.730 -7.730 -6.095) 12.516 16.358 ( 0.834 -0.834 -2.119) 2.426 16.789 ( -1.858 1.858 0.122) 2.630 16.982 ( 6.567 -6.567 0.303) 9.292 17.936 ( -1.060 1.060 -6.232) 6.409 18.351 ( -3.952 3.952 -2.983) 6.335 18.829 ( -7.248 7.248 -2.525) 10.557 18.867 ( -5.477 5.477 -2.766) 8.225 20.046 ( -1.615 1.615 -2.477) 3.369 ======================= Grid point 266 (97/112) ======================= q-point: ( 0.57 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -0.000 1.495 -2.392) 2.821 2.688 ( -0.000 9.034 -4.424) 10.059 2.765 ( -0.000 3.912 -4.187) 5.730 2.820 ( 0.000 -1.239 -4.647) 4.809 2.960 ( 0.000 -2.550 -3.066) 3.988 2.966 ( 0.000 -1.648 -2.866) 3.306 3.401 ( 0.000 0.425 -1.780) 1.830 4.278 ( -0.000 0.956 -0.635) 1.147 4.409 ( -0.000 5.216 0.029) 5.216 5.006 ( -0.000 5.154 3.944) 6.491 5.569 ( -0.000 3.694 -2.443) 4.429 5.642 ( 0.000 -2.663 -2.066) 3.370 7.984 ( -0.000 8.721 44.672) 45.515 8.468 ( 0.000 -3.259 8.625) 9.221 8.648 ( 0.000 -14.730 17.783) 23.092 8.803 ( -0.000 -1.093 15.643) 15.681 9.854 ( -0.000 1.576 8.172) 8.322 9.869 ( -0.000 0.044 7.007) 7.007 10.196 ( -0.000 2.058 6.191) 6.524 10.522 ( 0.000 -0.077 -12.836) 12.836 10.774 ( -0.000 0.106 4.666) 4.667 10.806 ( 0.000 -2.656 4.916) 5.587 12.547 ( 0.000 1.778 -20.296) 20.374 12.935 ( -0.000 3.953 1.201) 4.132 15.552 ( 0.000 -0.476 -1.899) 1.958 15.620 ( 0.000 -6.001 -4.464) 7.479 15.792 ( 0.000 -6.072 6.865) 9.165 16.177 ( 0.000 -6.013 2.178) 6.395 16.540 ( -0.000 3.686 8.888) 9.622 16.717 ( 0.000 0.137 -5.745) 5.747 16.772 ( 0.000 -4.275 -4.619) 6.294 17.660 ( -0.000 2.346 -6.544) 6.952 18.207 ( -0.000 2.807 -5.830) 6.471 18.703 ( -0.000 5.104 -7.019) 8.679 18.724 ( -0.000 3.020 -6.274) 6.963 19.838 ( -0.000 2.776 -9.337) 9.741 ======================= Grid point 272 (98/112) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.000 -0.000 0.341) 0.341 2.644 ( 0.000 0.000 -4.187) 4.187 2.644 ( 0.000 0.000 -4.187) 4.187 2.672 ( 0.000 0.000 -1.390) 1.390 2.731 ( 0.000 0.000 -4.827) 4.827 2.731 ( 0.000 0.000 -4.827) 4.827 3.368 ( 0.000 0.000 -0.175) 0.175 4.245 ( 0.000 0.000 -1.206) 1.206 4.392 ( 0.000 0.000 -3.192) 3.192 5.130 ( 0.000 0.000 -1.792) 1.792 5.432 ( 0.000 0.000 -5.564) 5.564 5.432 ( 0.000 0.000 -5.564) 5.564 8.776 ( -0.000 -0.000 7.644) 7.644 8.776 ( -0.000 -0.000 7.644) 7.644 9.482 ( -0.000 -0.000 17.935) 17.935 9.811 ( -0.000 -0.000 22.247) 22.247 9.902 ( 0.000 0.000 -2.068) 2.068 9.902 ( 0.000 0.000 -2.068) 2.068 9.923 ( 0.000 0.000 -16.505) 16.505 10.756 ( -0.000 -0.000 14.843) 14.843 11.018 ( -0.000 -0.000 2.287) 2.287 11.018 ( -0.000 -0.000 2.287) 2.287 12.031 ( 0.000 0.000 -1.581) 1.581 12.389 ( 0.000 0.000 -26.015) 26.015 15.673 ( -0.000 -0.000 9.576) 9.576 15.673 ( -0.000 -0.000 9.576) 9.576 16.141 ( -0.000 -0.000 10.409) 10.409 16.223 ( -0.000 -0.000 4.635) 4.635 16.430 ( 0.000 0.000 -7.313) 7.313 16.430 ( 0.000 0.000 -7.313) 7.313 17.059 ( -0.000 -0.000 6.506) 6.506 17.723 ( -0.000 -0.000 11.509) 11.509 17.946 ( 0.000 0.000 -7.884) 7.884 18.415 ( 0.000 0.000 -8.581) 8.581 18.415 ( 0.000 0.000 -8.581) 8.581 19.341 ( 0.000 0.000 -16.188) 16.188 ======================= Grid point 300 (99/112) ======================= q-point: ( 0.37 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.000 27.026 10.896) 29.140 2.569 ( -0.000 15.141 0.584) 15.152 2.869 ( -0.000 1.706 -1.748) 2.442 3.019 ( -0.000 1.282 -1.274) 1.807 3.072 ( -0.000 2.809 -0.841) 2.932 3.084 ( -0.000 2.259 -0.942) 2.447 3.565 ( 0.000 -2.429 -1.823) 3.037 4.152 ( -0.000 11.880 1.620) 11.990 4.228 ( -0.000 5.176 0.381) 5.190 4.743 ( -0.000 3.726 -2.306) 4.382 5.213 ( -0.000 -7.279 24.991) 26.029 5.455 ( -0.000 12.947 0.090) 12.947 5.704 ( -0.000 8.332 1.144) 8.410 7.944 ( -0.000 -1.336 7.467) 7.585 7.984 ( -0.000 -2.304 9.898) 10.163 8.199 ( 0.000 -2.987 4.734) 5.598 9.351 ( 0.000 -7.339 4.129) 8.420 9.474 ( 0.000 -11.070 1.731) 11.205 10.205 ( -0.000 7.364 -5.002) 8.902 10.866 ( 0.000 -1.482 -2.207) 2.658 11.015 ( 0.000 -9.105 -3.141) 9.632 11.054 ( 0.000 -1.464 -3.650) 3.933 11.991 ( -0.000 0.776 13.787) 13.809 13.668 ( 0.000 1.502 -12.928) 13.015 15.411 ( 0.000 -7.149 2.529) 7.583 15.957 ( 0.000 -3.624 5.832) 6.866 16.087 ( -0.000 1.314 0.498) 1.405 16.371 ( 0.000 -5.223 -11.044) 12.217 16.587 ( 0.000 -3.593 -9.081) 9.766 16.768 ( -0.000 -0.045 4.329) 4.329 17.085 ( 0.000 -15.504 0.800) 15.524 18.017 ( -0.000 1.494 -3.499) 3.805 18.305 ( -0.000 8.966 -1.144) 9.039 18.751 ( -0.000 12.304 -0.935) 12.339 18.783 ( -0.000 11.182 -0.959) 11.223 20.026 ( -0.000 4.314 -0.984) 4.425 ======================= Grid point 301 (100/112) ======================= q-point: ( 0.37 -0.29 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -17.331 17.331 8.795) 26.040 2.711 ( -2.919 2.919 -0.905) 4.226 2.924 ( -4.730 4.730 -1.598) 6.878 2.947 ( -2.180 2.180 -0.685) 3.158 2.979 ( -1.086 1.086 -0.335) 1.571 3.230 ( 1.202 -1.202 -2.474) 3.002 3.535 ( 1.229 -1.229 -1.665) 2.407 4.185 ( -17.007 17.007 1.619) 24.106 4.282 ( -1.740 1.740 0.018) 2.461 4.549 ( 21.079 -21.079 10.936) 31.753 5.433 ( -9.189 9.189 10.046) 16.426 5.621 ( -5.551 5.551 0.008) 7.851 5.823 ( -2.319 2.319 2.412) 4.071 7.817 ( -5.400 5.400 9.951) 12.543 8.056 ( 6.852 -6.852 5.280) 11.036 8.163 ( 1.502 -1.502 4.855) 5.299 9.241 ( 3.721 -3.721 6.534) 8.390 9.346 ( 6.452 -6.452 2.952) 9.590 10.279 ( -3.576 3.576 -6.676) 8.375 10.849 ( 0.923 -0.923 -2.078) 2.454 10.900 ( 2.252 -2.252 -2.255) 3.902 11.055 ( 2.447 -2.447 -3.644) 5.025 11.993 ( -0.634 0.634 15.730) 15.756 13.683 ( -1.114 1.114 -12.174) 12.276 15.312 ( 0.672 -0.672 2.833) 2.988 15.919 ( 1.713 -1.713 5.036) 5.588 16.152 ( 1.205 -1.205 -2.156) 2.748 16.368 ( 5.382 -5.382 -11.127) 13.481 16.511 ( 3.398 -3.398 -11.716) 12.663 16.747 ( -0.910 0.910 3.956) 4.160 16.925 ( 7.235 -7.235 5.450) 11.593 18.033 ( -0.800 0.800 -3.351) 3.537 18.396 ( -4.233 4.233 -1.502) 6.172 18.863 ( -7.733 7.733 -0.979) 10.980 18.904 ( -5.828 5.828 -1.104) 8.315 20.076 ( -1.421 1.421 -0.737) 2.141 ======================= Grid point 307 (101/112) ======================= q-point: ( 0.53 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -0.000 1.568 -2.078) 2.603 2.772 ( -0.000 11.876 -3.597) 12.409 2.847 ( -0.000 4.902 -3.800) 6.203 2.910 ( 0.000 -0.836 -4.073) 4.158 3.018 ( 0.000 -1.063 -2.809) 3.004 3.022 ( 0.000 -0.392 -2.736) 2.764 3.442 ( 0.000 -0.229 -2.202) 2.214 4.289 ( -0.000 1.493 -0.432) 1.554 4.401 ( -0.000 6.599 0.638) 6.630 4.886 ( -0.000 0.080 8.374) 8.374 5.611 ( -0.000 5.305 -1.814) 5.607 5.676 ( 0.000 -0.774 -1.249) 1.470 6.988 ( -0.000 7.942 49.809) 50.438 8.287 ( 0.000 -3.050 9.438) 9.919 8.376 ( 0.000 -10.072 11.926) 15.610 8.515 ( -0.000 -1.400 12.898) 12.974 9.639 ( -0.000 0.072 12.116) 12.117 9.653 ( -0.000 -1.165 13.227) 13.278 10.125 ( -0.000 0.863 0.692) 1.106 10.734 ( 0.000 0.150 -3.684) 3.687 10.762 ( 0.000 -0.948 -7.495) 7.555 10.773 ( 0.000 -3.267 -1.110) 3.450 12.765 ( -0.000 3.667 14.781) 15.229 12.970 ( 0.000 1.869 -21.221) 21.304 15.523 ( -0.000 -0.270 5.661) 5.667 15.771 ( 0.000 -5.047 -10.111) 11.300 15.796 ( 0.000 -6.793 -7.946) 10.454 16.119 ( 0.000 -5.509 3.699) 6.636 16.393 ( -0.000 1.900 4.890) 5.246 16.806 ( 0.000 0.347 -2.911) 2.932 16.863 ( 0.000 -4.896 -3.494) 6.015 17.807 ( 0.000 1.602 -7.548) 7.716 18.312 ( -0.000 3.500 -4.616) 5.793 18.826 ( -0.000 6.064 -5.143) 7.952 18.839 ( -0.000 4.868 -4.925) 6.924 19.985 ( -0.000 2.577 -5.418) 6.000 ======================= Grid point 313 (102/112) ======================= q-point: ( 0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.000 0.000 -1.218) 1.218 2.714 ( 0.000 0.000 -3.764) 3.764 2.714 ( 0.000 0.000 -3.764) 3.764 2.718 ( 0.000 0.000 -3.324) 3.324 2.841 ( 0.000 0.000 -5.162) 5.162 2.841 ( 0.000 0.000 -5.162) 5.162 3.380 ( 0.000 0.000 -0.959) 0.959 4.268 ( 0.000 0.000 -1.070) 1.070 4.441 ( 0.000 0.000 -1.741) 1.741 5.132 ( -0.000 -0.000 1.644) 1.644 5.531 ( 0.000 0.000 -4.331) 4.331 5.531 ( 0.000 0.000 -4.331) 4.331 8.609 ( -0.000 -0.000 8.701) 8.701 8.609 ( -0.000 -0.000 8.701) 8.701 9.126 ( -0.000 -0.000 17.361) 17.361 9.132 ( -0.000 -0.000 43.614) 43.614 9.933 ( 0.000 0.000 -0.197) 0.197 9.933 ( 0.000 0.000 -0.197) 0.197 10.241 ( 0.000 0.000 -15.016) 15.016 10.447 ( -0.000 -0.000 14.161) 14.161 10.913 ( -0.000 -0.000 7.337) 7.337 10.913 ( -0.000 -0.000 7.337) 7.337 12.205 ( 0.000 0.000 -14.615) 14.615 12.826 ( 0.000 0.000 -15.587) 15.587 15.541 ( -0.000 -0.000 3.139) 3.139 15.541 ( -0.000 -0.000 3.139) 3.139 15.930 ( -0.000 -0.000 10.552) 10.552 16.158 ( -0.000 -0.000 2.241) 2.241 16.582 ( 0.000 0.000 -7.467) 7.467 16.582 ( 0.000 0.000 -7.467) 7.467 16.850 ( -0.000 -0.000 13.346) 13.346 17.612 ( 0.000 0.000 -0.127) 0.127 18.099 ( 0.000 0.000 -7.246) 7.246 18.590 ( 0.000 0.000 -8.677) 8.677 18.590 ( 0.000 0.000 -8.677) 8.677 19.638 ( 0.000 0.000 -13.236) 13.236 ======================= Grid point 346 (103/112) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 29.423 -0.000) 29.423 2.563 ( -0.000 15.970 -0.000) 15.970 2.886 ( -0.000 1.293 -0.000) 1.293 3.032 ( -0.000 1.371 -0.000) 1.371 3.081 ( -0.000 3.191 -0.000) 3.191 3.094 ( -0.000 2.696 -0.000) 2.696 3.584 ( 0.000 -2.649 0.000) 2.649 4.135 ( -0.000 12.549 -0.000) 12.549 4.224 ( -0.000 5.752 -0.000) 5.752 4.857 ( 0.000 -36.188 0.000) 36.188 4.869 ( -0.000 31.680 -0.000) 31.680 5.454 ( -0.000 13.545 -0.000) 13.545 5.697 ( -0.000 8.744 -0.000) 8.744 7.865 ( 0.000 -0.965 0.000) 0.965 7.881 ( 0.000 -1.595 0.000) 1.595 8.151 ( 0.000 -3.081 0.000) 3.081 9.310 ( 0.000 -8.216 0.000) 8.216 9.457 ( 0.000 -12.499 0.000) 12.499 10.265 ( -0.000 9.087 -0.000) 9.087 10.889 ( 0.000 -1.573 0.000) 1.573 11.048 ( 0.000 -10.025 0.000) 10.025 11.090 ( 0.000 -1.580 0.000) 1.580 11.841 ( 0.000 -1.175 0.000) 1.175 13.807 ( -0.000 0.682 -0.000) 0.682 15.385 ( 0.000 -7.531 0.000) 7.531 15.887 ( 0.000 -2.396 0.000) 2.396 16.083 ( -0.000 2.372 -0.000) 2.372 16.522 ( 0.000 -4.799 0.000) 4.799 16.688 ( -0.000 0.145 -0.000) 0.145 16.696 ( 0.000 -0.137 0.000) 0.137 17.066 ( 0.000 -19.881 0.000) 19.881 18.053 ( -0.000 1.359 -0.000) 1.359 18.316 ( -0.000 9.300 -0.000) 9.300 18.760 ( -0.000 12.426 -0.000) 12.426 18.792 ( -0.000 11.240 -0.000) 11.240 20.035 ( -0.000 4.017 -0.000) 4.017 ======================= Grid point 347 (104/112) ======================= q-point: ( 0.33 -0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -19.293 19.293 -0.000) 27.284 2.720 ( -2.800 2.800 -0.000) 3.960 2.941 ( -5.727 5.727 -0.000) 8.100 2.953 ( -1.902 1.902 -0.000) 2.689 2.982 ( -1.325 1.325 -0.000) 1.873 3.255 ( 1.224 -1.224 0.000) 1.731 3.552 ( 1.532 -1.532 0.000) 2.167 4.167 ( -18.240 18.240 -0.000) 25.795 4.282 ( -1.850 1.850 -0.000) 2.616 4.428 ( 24.885 -24.885 0.000) 35.193 5.336 ( -11.086 11.086 -0.000) 15.678 5.621 ( -6.099 6.099 -0.000) 8.626 5.811 ( -1.994 1.994 -0.000) 2.820 7.712 ( -6.541 6.541 -0.000) 9.250 8.000 ( 7.292 -7.292 0.000) 10.312 8.114 ( 1.502 -1.502 0.000) 2.125 9.176 ( 3.768 -3.768 0.000) 5.328 9.317 ( 7.602 -7.602 0.000) 10.751 10.360 ( -4.480 4.480 -0.000) 6.336 10.871 ( 1.008 -1.008 0.000) 1.425 10.923 ( 2.362 -2.362 0.000) 3.340 11.092 ( 2.614 -2.614 0.000) 3.696 11.819 ( 0.349 -0.349 0.000) 0.494 13.812 ( -0.811 0.811 -0.000) 1.147 15.283 ( 0.988 -0.988 0.000) 1.397 15.861 ( 1.175 -1.175 0.000) 1.662 16.169 ( 0.137 -0.137 0.000) 0.194 16.521 ( 5.085 -5.085 0.000) 7.191 16.669 ( -1.042 1.042 -0.000) 1.473 16.715 ( 1.085 -1.085 0.000) 1.534 16.794 ( 10.768 -10.768 0.000) 15.228 18.067 ( -0.702 0.702 -0.000) 0.993 18.412 ( -4.329 4.329 -0.000) 6.123 18.873 ( -7.899 7.899 -0.000) 11.171 18.915 ( -5.943 5.943 -0.000) 8.404 20.082 ( -1.349 1.349 -0.000) 1.907 ======================= Grid point 353 (105/112) ======================= q-point: ( 0.49 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -0.000 2.101 -1.364) 2.504 2.811 ( -0.000 18.053 0.291) 18.055 2.910 ( -0.000 5.015 -2.342) 5.535 2.976 ( 0.000 -0.909 -2.393) 2.560 3.074 ( 0.000 0.583 -2.674) 2.737 3.076 ( 0.000 0.730 -2.614) 2.714 3.486 ( 0.000 -1.028 -2.109) 2.346 4.296 ( -0.000 1.965 -0.220) 1.978 4.386 ( -0.000 7.908 0.813) 7.950 4.645 ( 0.000 -13.343 16.009) 20.840 5.644 ( -0.000 6.745 -1.441) 6.897 5.680 ( -0.000 3.062 1.834) 3.569 6.137 ( -0.000 12.591 31.097) 33.550 8.092 ( -0.000 -1.991 9.688) 9.891 8.139 ( 0.000 -5.697 11.522) 12.853 8.291 ( -0.000 -1.762 9.260) 9.427 9.395 ( -0.000 -3.254 11.427) 11.881 9.410 ( 0.000 -4.743 9.835) 10.919 10.174 ( -0.000 1.897 -5.380) 5.704 10.788 ( 0.000 -0.743 -2.972) 3.063 10.821 ( 0.000 -4.043 -3.066) 5.074 10.926 ( 0.000 -0.706 -6.869) 6.905 12.393 ( -0.000 2.238 20.729) 20.850 13.378 ( 0.000 1.720 -18.785) 18.863 15.399 ( 0.000 -2.477 5.771) 6.280 15.970 ( 0.000 -1.153 -4.366) 4.515 16.023 ( 0.000 -4.308 -13.266) 13.948 16.050 ( 0.000 -4.597 -0.917) 4.687 16.355 ( 0.000 -0.947 -1.539) 1.807 16.828 ( -0.000 0.364 0.847) 0.921 16.897 ( 0.000 -6.312 0.282) 6.318 17.947 ( 0.000 1.152 -6.071) 6.179 18.390 ( -0.000 4.034 -3.160) 5.125 18.907 ( -0.000 6.695 -2.960) 7.321 18.918 ( -0.000 5.725 -2.924) 6.429 20.061 ( -0.000 2.310 -2.365) 3.306 ======================= Grid point 359 (106/112) ======================= q-point: ( 0.65 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.000 0.000 -2.059) 2.059 2.802 ( 0.000 0.000 -4.879) 4.879 2.802 ( 0.000 0.000 -4.879) 4.879 2.804 ( 0.000 0.000 -5.065) 5.065 2.932 ( 0.000 0.000 -3.920) 3.920 2.932 ( 0.000 0.000 -3.920) 3.920 3.405 ( 0.000 0.000 -1.532) 1.532 4.288 ( 0.000 0.000 -0.908) 0.908 4.465 ( 0.000 0.000 -0.710) 0.710 5.058 ( -0.000 -0.000 5.930) 5.930 5.607 ( 0.000 0.000 -3.297) 3.297 5.607 ( 0.000 0.000 -3.297) 3.297 8.144 ( -0.000 -0.000 52.782) 52.782 8.433 ( -0.000 -0.000 8.799) 8.799 8.433 ( -0.000 -0.000 8.799) 8.799 8.792 ( -0.000 -0.000 15.758) 15.758 9.869 ( -0.000 -0.000 7.399) 7.399 9.869 ( -0.000 -0.000 7.399) 7.399 10.220 ( -0.000 -0.000 8.036) 8.036 10.521 ( 0.000 0.000 -12.761) 12.761 10.775 ( -0.000 -0.000 4.984) 4.984 10.775 ( -0.000 -0.000 4.984) 4.984 12.567 ( 0.000 0.000 -20.337) 20.337 12.975 ( -0.000 -0.000 1.006) 1.006 15.556 ( 0.000 0.000 -4.598) 4.598 15.556 ( 0.000 0.000 -4.598) 4.598 15.721 ( -0.000 -0.000 10.075) 10.075 16.117 ( -0.000 -0.000 2.084) 2.084 16.589 ( -0.000 -0.000 11.372) 11.372 16.718 ( 0.000 0.000 -5.882) 5.882 16.718 ( 0.000 0.000 -5.882) 5.882 17.684 ( 0.000 0.000 -6.023) 6.023 18.235 ( 0.000 0.000 -6.229) 6.229 18.755 ( 0.000 0.000 -7.589) 7.589 18.755 ( 0.000 0.000 -7.589) 7.589 19.865 ( 0.000 0.000 -9.277) 9.277 ======================= Grid point 399 (107/112) ======================= q-point: ( 0.46 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 273 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.000 2.683 -0.631) 2.756 2.748 ( -0.000 26.787 5.415) 27.328 2.942 ( -0.000 4.647 -0.982) 4.750 3.009 ( 0.000 -1.206 -1.035) 1.589 3.120 ( -0.000 1.863 -1.712) 2.530 3.120 ( -0.000 1.363 -1.621) 2.118 3.522 ( 0.000 -1.700 -1.319) 2.152 4.291 ( 0.000 -11.705 6.511) 13.394 4.309 ( 0.000 -15.444 8.351) 17.557 4.371 ( -0.000 8.954 0.571) 8.973 5.547 ( -0.000 19.938 8.491) 21.671 5.668 ( -0.000 7.810 -0.919) 7.864 5.836 ( -0.000 5.078 3.096) 5.948 7.921 ( -0.000 -0.943 6.656) 6.723 7.937 ( -0.000 -2.243 7.799) 8.115 8.148 ( 0.000 -1.955 4.879) 5.256 9.219 ( 0.000 -5.245 5.842) 7.851 9.262 ( 0.000 -8.995 4.862) 10.225 10.314 ( -0.000 3.602 -7.412) 8.241 10.841 ( 0.000 -0.997 -2.026) 2.258 10.877 ( 0.000 -4.658 -2.128) 5.121 11.030 ( 0.000 -0.821 -3.496) 3.591 12.000 ( -0.000 0.172 16.549) 16.550 13.695 ( 0.000 1.101 -11.936) 11.986 15.307 ( 0.000 -3.376 3.208) 4.657 15.902 ( 0.000 -1.893 4.623) 4.996 16.153 ( -0.000 5.232 -3.179) 6.122 16.290 ( 0.000 -2.808 -12.434) 12.747 16.479 ( 0.000 -7.514 -10.155) 12.633 16.770 ( -0.000 0.161 4.641) 4.644 16.844 ( 0.000 -7.747 5.151) 9.303 18.042 ( 0.000 0.877 -3.253) 3.369 18.438 ( -0.000 4.414 -1.591) 4.692 18.948 ( -0.000 7.039 -1.192) 7.139 18.958 ( -0.000 6.094 -1.189) 6.209 20.090 ( -0.000 2.099 -0.671) 2.203 ======================= Grid point 405 (108/112) ======================= q-point: ( 0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.000 0.000 -2.047) 2.047 2.897 ( 0.000 0.000 -4.262) 4.262 2.897 ( 0.000 0.000 -4.262) 4.262 2.915 ( 0.000 0.000 -5.770) 5.770 3.005 ( 0.000 0.000 -3.605) 3.605 3.005 ( 0.000 0.000 -3.605) 3.605 3.440 ( 0.000 0.000 -1.828) 1.828 4.304 ( 0.000 0.000 -0.691) 0.691 4.472 ( 0.000 0.000 -0.094) 0.094 4.870 ( -0.000 -0.000 13.754) 13.754 5.666 ( 0.000 0.000 -2.617) 2.617 5.666 ( 0.000 0.000 -2.617) 2.617 7.100 ( -0.000 -0.000 48.739) 48.739 8.254 ( -0.000 -0.000 9.096) 9.096 8.254 ( -0.000 -0.000 9.096) 9.096 8.500 ( -0.000 -0.000 13.092) 13.092 9.641 ( -0.000 -0.000 14.115) 14.115 9.641 ( -0.000 -0.000 14.115) 14.115 10.134 ( -0.000 -0.000 0.572) 0.572 10.737 ( 0.000 0.000 -0.812) 0.812 10.737 ( 0.000 0.000 -0.812) 0.812 10.750 ( 0.000 0.000 -9.965) 9.965 12.802 ( -0.000 -0.000 15.255) 15.255 12.990 ( 0.000 0.000 -21.231) 21.231 15.531 ( -0.000 -0.000 8.763) 8.763 15.717 ( 0.000 0.000 -11.043) 11.043 15.717 ( 0.000 0.000 -11.043) 11.043 16.064 ( -0.000 -0.000 3.414) 3.414 16.418 ( -0.000 -0.000 5.603) 5.603 16.809 ( 0.000 0.000 -2.978) 2.978 16.809 ( 0.000 0.000 -2.978) 2.978 17.823 ( 0.000 0.000 -7.274) 7.274 18.347 ( 0.000 0.000 -4.915) 4.915 18.888 ( 0.000 0.000 -5.543) 5.543 18.888 ( 0.000 0.000 -5.543) 5.543 20.011 ( 0.000 0.000 -5.297) 5.297 ======================= Grid point 445 (109/112) ======================= q-point: ( 0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.000 30.665 -0.000) 30.665 2.740 ( -0.000 2.928 -0.000) 2.928 2.952 ( -0.000 4.484 -0.000) 4.484 3.019 ( 0.000 -1.356 0.000) 1.356 3.137 ( -0.000 1.558 -0.000) 1.558 3.138 ( -0.000 2.273 -0.000) 2.273 3.536 ( 0.000 -1.964 0.000) 1.964 4.142 ( 0.000 -34.669 0.000) 34.669 4.300 ( -0.000 2.356 -0.000) 2.356 4.365 ( -0.000 9.378 -0.000) 9.378 5.460 ( -0.000 24.434 -0.000) 24.434 5.678 ( -0.000 8.217 -0.000) 8.217 5.818 ( -0.000 3.025 -0.000) 3.025 7.850 ( 0.000 -0.557 0.000) 0.557 7.854 ( 0.000 -0.984 0.000) 0.984 8.098 ( 0.000 -2.010 0.000) 2.010 9.161 ( 0.000 -6.025 0.000) 6.025 9.213 ( 0.000 -10.566 0.000) 10.566 10.405 ( -0.000 4.772 -0.000) 4.772 10.862 ( 0.000 -1.067 0.000) 1.067 10.899 ( 0.000 -4.895 0.000) 4.895 11.065 ( 0.000 -0.868 0.000) 0.868 11.815 ( 0.000 -1.151 0.000) 1.151 13.821 ( -0.000 0.652 -0.000) 0.652 15.274 ( 0.000 -3.643 0.000) 3.643 15.849 ( 0.000 -1.308 0.000) 1.308 16.180 ( -0.000 7.312 -0.000) 7.312 16.451 ( 0.000 -2.294 0.000) 2.294 16.690 ( -0.000 0.084 -0.000) 0.084 16.691 ( 0.000 -17.176 0.000) 17.176 16.693 ( 0.000 -0.156 0.000) 0.156 18.074 ( -0.000 0.784 -0.000) 0.784 18.454 ( -0.000 4.560 -0.000) 4.560 18.959 ( -0.000 7.143 -0.000) 7.143 18.970 ( -0.000 6.199 -0.000) 6.199 20.095 ( -0.000 2.020 -0.000) 2.020 ======================= Grid point 451 (110/112) ======================= q-point: ( 0.58 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 0.000 -1.479) 1.479 2.963 ( 0.000 0.000 -2.291) 2.291 2.963 ( 0.000 0.000 -2.291) 2.291 3.026 ( 0.000 0.000 -5.031) 5.031 3.079 ( 0.000 0.000 -3.599) 3.599 3.079 ( 0.000 0.000 -3.599) 3.599 3.476 ( 0.000 0.000 -1.684) 1.684 4.315 ( 0.000 0.000 -0.431) 0.431 4.467 ( -0.000 -0.000 26.494) 26.494 4.471 ( -0.000 -0.000 0.163) 0.163 5.713 ( 0.000 0.000 -2.116) 2.116 5.713 ( 0.000 0.000 -2.116) 2.116 6.293 ( -0.000 -0.000 29.700) 29.700 8.070 ( -0.000 -0.000 9.032) 9.032 8.070 ( -0.000 -0.000 9.032) 9.032 8.273 ( -0.000 -0.000 9.421) 9.421 9.361 ( -0.000 -0.000 12.640) 12.640 9.361 ( -0.000 -0.000 12.640) 12.640 10.193 ( 0.000 0.000 -6.111) 6.111 10.780 ( 0.000 0.000 -2.767) 2.767 10.780 ( 0.000 0.000 -2.767) 2.767 10.918 ( 0.000 0.000 -6.815) 6.815 12.416 ( -0.000 -0.000 21.676) 21.676 13.396 ( 0.000 0.000 -18.564) 18.564 15.376 ( -0.000 -0.000 6.530) 6.530 15.978 ( 0.000 0.000 -14.303) 14.303 15.978 ( 0.000 0.000 -14.303) 14.303 15.979 ( -0.000 -0.000 4.864) 4.864 16.351 ( -0.000 -0.000 1.511) 1.511 16.831 ( -0.000 -0.000 0.900) 0.900 16.831 ( -0.000 -0.000 0.900) 0.900 17.958 ( 0.000 0.000 -5.888) 5.888 18.431 ( 0.000 0.000 -3.388) 3.388 18.976 ( 0.000 0.000 -3.209) 3.209 18.976 ( 0.000 0.000 -3.209) 3.209 20.084 ( 0.000 0.000 -2.246) 2.246 ======================= Grid point 496 (111/112) ======================= q-point: ( 0.54 -0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.000 0.000 -0.734) 0.734 2.994 ( 0.000 0.000 -0.923) 0.923 2.994 ( 0.000 0.000 -0.923) 0.923 3.108 ( 0.000 0.000 -2.930) 2.930 3.140 ( 0.000 0.000 -2.199) 2.199 3.140 ( 0.000 0.000 -2.199) 2.199 3.504 ( 0.000 0.000 -1.020) 1.020 3.905 ( -0.000 -0.000 25.087) 25.087 4.321 ( 0.000 0.000 -0.190) 0.190 4.467 ( -0.000 -0.000 0.152) 0.152 5.749 ( 0.000 0.000 -1.327) 1.327 5.749 ( 0.000 0.000 -1.327) 1.327 5.903 ( -0.000 -0.000 10.711) 10.711 7.910 ( -0.000 -0.000 6.219) 6.219 7.910 ( -0.000 -0.000 6.219) 6.219 8.127 ( -0.000 -0.000 4.940) 4.940 9.164 ( -0.000 -0.000 6.675) 6.675 9.164 ( -0.000 -0.000 6.675) 6.675 10.350 ( 0.000 0.000 -8.343) 8.343 10.830 ( 0.000 0.000 -1.949) 1.949 10.830 ( 0.000 0.000 -1.949) 1.949 11.022 ( 0.000 0.000 -3.455) 3.455 12.001 ( -0.000 -0.000 17.642) 17.642 13.707 ( 0.000 0.000 -11.567) 11.567 15.274 ( -0.000 -0.000 3.498) 3.498 15.883 ( -0.000 -0.000 4.187) 4.187 16.262 ( 0.000 0.000 -13.023) 13.023 16.262 ( 0.000 0.000 -13.023) 13.023 16.340 ( 0.000 0.000 -0.003) 0.003 16.772 ( -0.000 -0.000 4.772) 4.772 16.772 ( -0.000 -0.000 4.772) 4.772 18.051 ( 0.000 0.000 -3.158) 3.158 18.482 ( 0.000 0.000 -1.726) 1.726 19.020 ( 0.000 0.000 -1.307) 1.307 19.020 ( 0.000 0.000 -1.307) 1.307 20.111 ( 0.000 0.000 -0.601) 0.601 ======================= Grid point 542 (112/112) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.003 ( -0.000 0.000 -0.000) 0.000 3.138 ( 0.000 -0.000 0.000) 0.000 3.162 ( 0.000 0.000 -0.000) 0.000 3.162 ( 0.000 0.000 -0.000) 0.000 3.514 ( 0.000 -0.000 0.000) 0.000 3.626 ( -0.000 0.000 -0.000) 0.000 4.323 ( 0.000 -0.000 0.000) 0.000 4.466 ( -0.000 0.000 -0.000) 0.000 5.763 ( 0.000 0.000 -0.000) 0.000 5.763 ( -0.000 0.000 -0.000) 0.000 5.804 ( 0.000 -0.000 0.000) 0.000 7.844 ( 0.000 0.000 -0.000) 0.000 7.844 ( 0.000 0.000 -0.000) 0.000 8.077 ( -0.000 0.000 -0.000) 0.000 9.097 ( 0.000 0.000 -0.000) 0.000 9.097 ( 0.000 0.000 -0.000) 0.000 10.453 ( -0.000 0.000 -0.000) 0.000 10.851 ( -0.000 0.000 -0.000) 0.000 10.851 ( -0.000 0.000 -0.000) 0.000 11.057 ( -0.000 0.000 -0.000) 0.000 11.803 ( -0.000 0.000 -0.000) 0.000 13.828 ( -0.000 0.000 -0.000) 0.000 15.238 ( -0.000 0.000 -0.000) 0.000 15.836 ( -0.000 0.000 -0.000) 0.000 16.341 ( -0.000 0.000 -0.000) 0.000 16.429 ( -0.000 0.000 -0.000) 0.000 16.429 ( -0.000 0.000 -0.000) 0.000 16.691 ( -0.000 0.000 -0.000) 0.000 16.691 ( -0.000 0.000 -0.000) 0.000 18.083 ( -0.000 0.000 -0.000) 0.000 18.500 ( -0.000 0.000 -0.000) 0.000 19.032 ( -0.000 0.000 -0.000) 0.000 19.032 ( -0.000 0.000 -0.000) 0.000 20.116 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33696 10.0 1850.698 1850.698 2638.220 -0.000 0.000 -0.000 3/33696 20.0 755.755 755.755 644.440 -0.000 0.000 -0.000 3/33696 30.0 351.563 351.563 309.162 -0.000 0.000 -0.000 3/33696 40.0 210.651 210.651 183.651 -0.000 0.000 -0.000 3/33696 50.0 145.513 145.513 123.158 -0.000 0.000 -0.000 3/33696 60.0 107.795 107.795 88.131 -0.000 0.000 -0.000 3/33696 70.0 83.006 83.006 65.957 -0.000 0.000 -0.000 3/33696 80.0 65.747 65.747 51.277 -0.000 0.000 -0.000 3/33696 90.0 53.344 53.344 41.180 -0.000 0.000 -0.000 3/33696 100.0 44.214 44.214 33.974 -0.000 0.000 -0.000 3/33696 110.0 37.343 37.343 28.658 -0.000 0.000 -0.000 3/33696 120.0 32.065 32.065 24.622 -0.000 0.000 -0.000 3/33696 130.0 27.935 27.935 21.483 -0.000 0.000 -0.000 3/33696 140.0 24.645 24.645 18.991 -0.000 0.000 -0.000 3/33696 150.0 21.984 21.984 16.977 -0.000 0.000 -0.000 3/33696 160.0 19.800 19.800 15.324 -0.000 0.000 -0.000 3/33696 170.0 17.985 17.985 13.949 -0.000 0.000 -0.000 3/33696 180.0 16.459 16.459 12.792 -0.000 0.000 -0.000 3/33696 190.0 15.161 15.161 11.807 -0.000 0.000 -0.000 3/33696 200.0 14.048 14.048 10.960 -0.000 0.000 -0.000 3/33696 210.0 13.083 13.083 10.226 -0.000 0.000 -0.000 3/33696 220.0 12.242 12.242 9.584 -0.000 0.000 -0.000 3/33696 230.0 11.501 11.501 9.018 -0.000 0.000 -0.000 3/33696 240.0 10.846 10.846 8.517 -0.000 0.000 -0.000 3/33696 250.0 10.262 10.262 8.070 -0.000 0.000 -0.000 3/33696 260.0 9.739 9.739 7.668 -0.000 0.000 -0.000 3/33696 270.0 9.267 9.267 7.306 -0.000 0.000 -0.000 3/33696 280.0 8.840 8.840 6.977 -0.000 0.000 -0.000 3/33696 290.0 8.452 8.452 6.678 -0.000 0.000 -0.000 3/33696 300.0 8.098 8.098 6.405 -0.000 0.000 -0.000 3/33696 310.0 7.773 7.773 6.154 -0.000 0.000 -0.000 3/33696 320.0 7.474 7.474 5.923 -0.000 0.000 -0.000 3/33696 330.0 7.198 7.198 5.709 -0.000 0.000 -0.000 3/33696 340.0 6.943 6.943 5.511 -0.000 0.000 -0.000 3/33696 350.0 6.705 6.705 5.327 -0.000 0.000 -0.000 3/33696 360.0 6.485 6.485 5.156 -0.000 0.000 -0.000 3/33696 370.0 6.278 6.278 4.995 -0.000 0.000 -0.000 3/33696 380.0 6.085 6.085 4.845 -0.000 0.000 -0.000 3/33696 390.0 5.904 5.904 4.704 -0.000 0.000 -0.000 3/33696 400.0 5.734 5.734 4.571 -0.000 0.000 -0.000 3/33696 410.0 5.574 5.574 4.446 -0.000 0.000 -0.000 3/33696 420.0 5.423 5.423 4.328 -0.000 0.000 -0.000 3/33696 430.0 5.280 5.280 4.216 -0.000 0.000 -0.000 3/33696 440.0 5.145 5.145 4.110 -0.000 0.000 -0.000 3/33696 450.0 5.017 5.017 4.010 -0.000 0.000 -0.000 3/33696 460.0 4.896 4.896 3.915 -0.000 0.000 -0.000 3/33696 470.0 4.780 4.780 3.824 -0.000 0.000 -0.000 3/33696 480.0 4.670 4.670 3.737 -0.000 0.000 -0.000 3/33696 490.0 4.565 4.565 3.655 -0.000 0.000 -0.000 3/33696 500.0 4.465 4.465 3.576 -0.000 0.000 -0.000 3/33696 510.0 4.369 4.369 3.501 -0.000 0.000 -0.000 3/33696 520.0 4.278 4.278 3.429 -0.000 0.000 -0.000 3/33696 530.0 4.190 4.190 3.360 -0.000 0.000 -0.000 3/33696 540.0 4.106 4.106 3.293 -0.000 0.000 -0.000 3/33696 550.0 4.025 4.025 3.230 -0.000 0.000 -0.000 3/33696 560.0 3.948 3.948 3.169 -0.000 0.000 -0.000 3/33696 570.0 3.874 3.874 3.110 -0.000 0.000 -0.000 3/33696 580.0 3.802 3.802 3.053 -0.000 0.000 -0.000 3/33696 590.0 3.733 3.733 2.999 -0.000 0.000 -0.000 3/33696 600.0 3.667 3.667 2.946 -0.000 0.000 -0.000 3/33696 610.0 3.603 3.603 2.896 -0.000 0.000 -0.000 3/33696 620.0 3.541 3.541 2.847 -0.000 0.000 -0.000 3/33696 630.0 3.482 3.482 2.800 -0.000 0.000 -0.000 3/33696 640.0 3.424 3.424 2.754 -0.000 0.000 -0.000 3/33696 650.0 3.369 3.369 2.710 -0.000 0.000 -0.000 3/33696 660.0 3.315 3.315 2.667 -0.000 0.000 -0.000 3/33696 670.0 3.263 3.263 2.626 -0.000 0.000 -0.000 3/33696 680.0 3.213 3.213 2.586 -0.000 0.000 -0.000 3/33696 690.0 3.164 3.164 2.547 -0.000 0.000 -0.000 3/33696 700.0 3.117 3.117 2.510 -0.000 0.000 -0.000 3/33696 710.0 3.071 3.071 2.473 -0.000 0.000 -0.000 3/33696 720.0 3.026 3.026 2.438 -0.000 0.000 -0.000 3/33696 730.0 2.983 2.983 2.403 -0.000 0.000 -0.000 3/33696 740.0 2.941 2.941 2.370 -0.000 0.000 -0.000 3/33696 750.0 2.900 2.900 2.338 -0.000 0.000 -0.000 3/33696 760.0 2.861 2.861 2.306 -0.000 0.000 -0.000 3/33696 770.0 2.822 2.822 2.275 -0.000 0.000 -0.000 3/33696 780.0 2.785 2.785 2.245 -0.000 0.000 -0.000 3/33696 790.0 2.748 2.748 2.216 -0.000 0.000 -0.000 3/33696 800.0 2.713 2.713 2.188 -0.000 0.000 -0.000 3/33696 810.0 2.678 2.678 2.160 -0.000 0.000 -0.000 3/33696 820.0 2.644 2.644 2.133 -0.000 0.000 -0.000 3/33696 830.0 2.612 2.612 2.107 -0.000 0.000 -0.000 3/33696 840.0 2.579 2.579 2.082 -0.000 0.000 -0.000 3/33696 850.0 2.548 2.548 2.057 -0.000 0.000 -0.000 3/33696 860.0 2.518 2.518 2.032 -0.000 0.000 -0.000 3/33696 870.0 2.488 2.488 2.009 -0.000 0.000 -0.000 3/33696 880.0 2.459 2.459 1.985 -0.000 0.000 -0.000 3/33696 890.0 2.431 2.431 1.963 -0.000 0.000 -0.000 3/33696 900.0 2.403 2.403 1.940 -0.000 0.000 -0.000 3/33696 910.0 2.376 2.376 1.919 -0.000 0.000 -0.000 3/33696 920.0 2.349 2.349 1.898 -0.000 0.000 -0.000 3/33696 930.0 2.324 2.324 1.877 -0.000 0.000 -0.000 3/33696 940.0 2.298 2.298 1.857 -0.000 0.000 -0.000 3/33696 950.0 2.274 2.274 1.837 -0.000 0.000 -0.000 3/33696 960.0 2.249 2.249 1.818 -0.000 0.000 -0.000 3/33696 970.0 2.226 2.226 1.799 -0.000 0.000 -0.000 3/33696 980.0 2.202 2.202 1.780 -0.000 0.000 -0.000 3/33696 990.0 2.180 2.180 1.762 -0.000 0.000 -0.000 3/33696 1000.0 2.158 2.158 1.744 -0.000 0.000 -0.000 3/33696 Thermal conductivity related properties were written into "kappa-m16156.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:43:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|