----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:28:33]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.308835630000000 3.308835630000000 2.993188900000000 b 3.308835630000000 -3.308835630000000 2.993188900000000 c 3.308835630000000 3.308835630000000 -2.993188900000000 Atomic positions (fractional): *1 O 0.56896086101673 0.25351732551853 0.68455646450180 15.999 2 O 0.00351732551853 0.81896086101673 0.18455646450180 15.999 3 O 0.63440439651492 0.81896086101673 0.81544353549820 15.999 4 O 0.56896086101673 0.88440439651492 0.31544353549820 15.999 5 O 0.74648267448147 0.43103913898327 0.31544353549820 15.999 6 O 0.18103913898327 0.99648267448147 0.81544353549820 15.999 7 O 0.18103913898327 0.36559560348508 0.18455646450180 15.999 8 O 0.11559560348508 0.43103913898327 0.68455646450180 15.999 *9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 *11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.617671260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.617671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.986377800000000 Atomic positions (fractional): *1 O 0.18455646450180 0.50000000000000 0.06896086101673 15.999 > 1 2 O 0.00000000000000 0.18455646450180 0.81896086101673 15.999 > 2 3 O 0.00000000000000 0.81544353549820 0.81896086101673 15.999 > 3 4 O 0.31544353549820 0.00000000000000 0.56896086101673 15.999 > 4 5 O 0.00000000000000 0.31544353549820 0.43103913898327 15.999 > 5 6 O 0.31544353549820 0.50000000000000 0.68103913898327 15.999 > 6 7 O 0.68455646450180 0.50000000000000 0.68103913898327 15.999 > 7 8 O 0.50000000000000 0.18455646450180 0.93103913898327 15.999 > 8 9 O 0.68455646450180 0.00000000000000 0.56896086101673 15.999 > 1 10 O 0.50000000000000 0.68455646450180 0.31896086101673 15.999 > 2 11 O 0.50000000000000 0.31544353549820 0.31896086101673 15.999 > 3 12 O 0.81544353549820 0.50000000000000 0.06896086101673 15.999 > 4 13 O 0.50000000000000 0.81544353549820 0.93103913898327 15.999 > 5 14 O 0.81544353549820 0.00000000000000 0.18103913898327 15.999 > 6 15 O 0.18455646450180 0.00000000000000 0.18103913898327 15.999 > 7 16 O 0.00000000000000 0.68455646450180 0.43103913898327 15.999 > 8 *17 Si 0.50000000000000 0.00000000000000 0.75000000000000 28.085 > 9 18 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 10 19 Si 0.00000000000000 0.50000000000000 0.25000000000000 28.085 > 9 20 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 10 *21 Zr 0.00000000000000 0.50000000000000 0.75000000000000 91.224 > 11 22 Zr 0.00000000000000 0.00000000000000 0.50000000000000 91.224 > 12 23 Zr 0.50000000000000 0.00000000000000 0.25000000000000 91.224 > 11 24 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.617671260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.617671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.972755599999999 Atomic positions (fractional): *1 O 0.18455646450180 0.50000000000000 0.03448043050836 15.999 > 1 2 O 0.18455646450180 0.50000000000000 0.53448043050836 15.999 > 1 3 O 0.00000000000000 0.18455646450180 0.40948043050836 15.999 > 2 4 O 0.00000000000000 0.18455646450180 0.90948043050836 15.999 > 2 5 O 0.00000000000000 0.81544353549820 0.40948043050836 15.999 > 3 6 O 0.00000000000000 0.81544353549820 0.90948043050836 15.999 > 3 7 O 0.31544353549820 0.00000000000000 0.28448043050836 15.999 > 4 8 O 0.31544353549820 0.00000000000000 0.78448043050836 15.999 > 4 9 O 0.00000000000000 0.31544353549820 0.21551956949164 15.999 > 5 10 O 0.00000000000000 0.31544353549820 0.71551956949164 15.999 > 5 11 O 0.31544353549820 0.50000000000000 0.34051956949164 15.999 > 6 12 O 0.31544353549820 0.50000000000000 0.84051956949164 15.999 > 6 13 O 0.68455646450180 0.50000000000000 0.34051956949164 15.999 > 7 14 O 0.68455646450180 0.50000000000000 0.84051956949164 15.999 > 7 15 O 0.50000000000000 0.18455646450180 0.46551956949164 15.999 > 8 16 O 0.50000000000000 0.18455646450180 0.96551956949164 15.999 > 8 17 O 0.68455646450180 0.00000000000000 0.28448043050836 15.999 > 1 18 O 0.68455646450180 0.00000000000000 0.78448043050836 15.999 > 1 19 O 0.50000000000000 0.68455646450180 0.15948043050836 15.999 > 2 20 O 0.50000000000000 0.68455646450180 0.65948043050836 15.999 > 2 21 O 0.50000000000000 0.31544353549820 0.15948043050836 15.999 > 3 22 O 0.50000000000000 0.31544353549820 0.65948043050836 15.999 > 3 23 O 0.81544353549820 0.50000000000000 0.03448043050836 15.999 > 4 24 O 0.81544353549820 0.50000000000000 0.53448043050836 15.999 > 4 25 O 0.50000000000000 0.81544353549820 0.46551956949164 15.999 > 5 26 O 0.50000000000000 0.81544353549820 0.96551956949164 15.999 > 5 27 O 0.81544353549820 0.00000000000000 0.09051956949164 15.999 > 6 28 O 0.81544353549820 0.00000000000000 0.59051956949164 15.999 > 6 29 O 0.18455646450180 0.00000000000000 0.09051956949164 15.999 > 7 30 O 0.18455646450180 0.00000000000000 0.59051956949164 15.999 > 7 31 O 0.00000000000000 0.68455646450180 0.21551956949164 15.999 > 8 32 O 0.00000000000000 0.68455646450180 0.71551956949164 15.999 > 8 *33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 9 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 9 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 10 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 10 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 9 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 9 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 10 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 10 *41 Zr 0.00000000000000 0.50000000000000 0.37500000000000 91.224 > 11 42 Zr 0.00000000000000 0.50000000000000 0.87500000000000 91.224 > 11 43 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 12 44 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 12 45 Zr 0.50000000000000 0.00000000000000 0.12500000000000 91.224 > 11 46 Zr 0.50000000000000 0.00000000000000 0.62500000000000 91.224 > 11 47 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 12 48 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1084107 0.0000000 0.0000000 0.0000000 4.1084107 0.0000000 0.0000000 0.0000000 4.3313260 -------------------------- Born effective charges -------------------------- 1 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 2 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 3 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 4 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 5 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 6 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 7 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 8 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 9 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 10 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 11 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 12 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.067 Solver_block: 160 / 160 - Time: 0.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.100 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 20:28:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:28:37]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.308835630000000 3.308835630000000 2.993188900000000 b 3.308835630000000 -3.308835630000000 2.993188900000000 c 3.308835630000000 3.308835630000000 -2.993188900000000 Atomic positions (fractional): 1 O 0.56896086101673 0.25351732551853 0.68455646450180 15.999 2 O 0.00351732551853 0.81896086101673 0.18455646450180 15.999 3 O 0.63440439651492 0.81896086101673 0.81544353549820 15.999 4 O 0.56896086101673 0.88440439651492 0.31544353549820 15.999 5 O 0.74648267448147 0.43103913898327 0.31544353549820 15.999 6 O 0.18103913898327 0.99648267448147 0.81544353549820 15.999 7 O 0.18103913898327 0.36559560348508 0.18455646450180 15.999 8 O 0.11559560348508 0.43103913898327 0.68455646450180 15.999 9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.617671260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.617671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.972755599999999 Atomic positions (fractional): 1 O 0.18455646450180 0.50000000000000 0.03448043050836 15.999 > 1 2 O 0.18455646450180 0.50000000000000 0.53448043050836 15.999 > 1 3 O 0.00000000000000 0.18455646450180 0.40948043050836 15.999 > 3 4 O 0.00000000000000 0.18455646450180 0.90948043050836 15.999 > 3 5 O 0.00000000000000 0.81544353549820 0.40948043050836 15.999 > 5 6 O 0.00000000000000 0.81544353549820 0.90948043050836 15.999 > 5 7 O 0.31544353549820 0.00000000000000 0.28448043050836 15.999 > 7 8 O 0.31544353549820 0.00000000000000 0.78448043050836 15.999 > 7 9 O 0.00000000000000 0.31544353549820 0.21551956949164 15.999 > 9 10 O 0.00000000000000 0.31544353549820 0.71551956949164 15.999 > 9 11 O 0.31544353549820 0.50000000000000 0.34051956949164 15.999 > 11 12 O 0.31544353549820 0.50000000000000 0.84051956949164 15.999 > 11 13 O 0.68455646450180 0.50000000000000 0.34051956949164 15.999 > 13 14 O 0.68455646450180 0.50000000000000 0.84051956949164 15.999 > 13 15 O 0.50000000000000 0.18455646450180 0.46551956949164 15.999 > 15 16 O 0.50000000000000 0.18455646450180 0.96551956949164 15.999 > 15 17 O 0.68455646450180 0.00000000000000 0.28448043050836 15.999 > 1 18 O 0.68455646450180 0.00000000000000 0.78448043050836 15.999 > 1 19 O 0.50000000000000 0.68455646450180 0.15948043050836 15.999 > 3 20 O 0.50000000000000 0.68455646450180 0.65948043050836 15.999 > 3 21 O 0.50000000000000 0.31544353549820 0.15948043050836 15.999 > 5 22 O 0.50000000000000 0.31544353549820 0.65948043050836 15.999 > 5 23 O 0.81544353549820 0.50000000000000 0.03448043050836 15.999 > 7 24 O 0.81544353549820 0.50000000000000 0.53448043050836 15.999 > 7 25 O 0.50000000000000 0.81544353549820 0.46551956949164 15.999 > 9 26 O 0.50000000000000 0.81544353549820 0.96551956949164 15.999 > 9 27 O 0.81544353549820 0.00000000000000 0.09051956949164 15.999 > 11 28 O 0.81544353549820 0.00000000000000 0.59051956949164 15.999 > 11 29 O 0.18455646450180 0.00000000000000 0.09051956949164 15.999 > 13 30 O 0.18455646450180 0.00000000000000 0.59051956949164 15.999 > 13 31 O 0.00000000000000 0.68455646450180 0.21551956949164 15.999 > 15 32 O 0.00000000000000 0.68455646450180 0.71551956949164 15.999 > 15 33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 33 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 33 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 35 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 35 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 33 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 33 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 35 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 35 41 Zr 0.00000000000000 0.50000000000000 0.37500000000000 91.224 > 41 42 Zr 0.00000000000000 0.50000000000000 0.87500000000000 91.224 > 41 43 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 43 44 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 43 45 Zr 0.50000000000000 0.00000000000000 0.12500000000000 91.224 > 41 46 Zr 0.50000000000000 0.00000000000000 0.62500000000000 91.224 > 41 47 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 43 48 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1084107 0.0000000 0.0000000 0.0000000 4.1084107 0.0000000 0.0000000 0.0000000 4.3313260 -------------------------- Born effective charges -------------------------- 1 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 2 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 3 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 4 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 5 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 6 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 7 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 8 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 9 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 10 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 11 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 12 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 20:28:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:28:40]------------------------- 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 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.308835630000000 3.308835630000000 2.993188900000000 b 3.308835630000000 -3.308835630000000 2.993188900000000 c 3.308835630000000 3.308835630000000 -2.993188900000000 Atomic positions (fractional): 1 O 0.56896086101673 0.25351732551853 0.68455646450180 15.999 2 O 0.00351732551853 0.81896086101673 0.18455646450180 15.999 3 O 0.63440439651492 0.81896086101673 0.81544353549820 15.999 4 O 0.56896086101673 0.88440439651492 0.31544353549820 15.999 5 O 0.74648267448147 0.43103913898327 0.31544353549820 15.999 6 O 0.18103913898327 0.99648267448147 0.81544353549820 15.999 7 O 0.18103913898327 0.36559560348508 0.18455646450180 15.999 8 O 0.11559560348508 0.43103913898327 0.68455646450180 15.999 9 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 10 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 11 Zr 0.25000000000000 0.75000000000000 0.50000000000000 91.224 12 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.617671260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.617671260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.972755599999999 Atomic positions (fractional): 1 O 0.18455646450180 0.50000000000000 0.03448043050836 15.999 > 1 2 O 0.18455646450180 0.50000000000000 0.53448043050836 15.999 > 1 3 O 0.00000000000000 0.18455646450180 0.40948043050836 15.999 > 3 4 O 0.00000000000000 0.18455646450180 0.90948043050836 15.999 > 3 5 O 0.00000000000000 0.81544353549820 0.40948043050836 15.999 > 5 6 O 0.00000000000000 0.81544353549820 0.90948043050836 15.999 > 5 7 O 0.31544353549820 0.00000000000000 0.28448043050836 15.999 > 7 8 O 0.31544353549820 0.00000000000000 0.78448043050836 15.999 > 7 9 O 0.00000000000000 0.31544353549820 0.21551956949164 15.999 > 9 10 O 0.00000000000000 0.31544353549820 0.71551956949164 15.999 > 9 11 O 0.31544353549820 0.50000000000000 0.34051956949164 15.999 > 11 12 O 0.31544353549820 0.50000000000000 0.84051956949164 15.999 > 11 13 O 0.68455646450180 0.50000000000000 0.34051956949164 15.999 > 13 14 O 0.68455646450180 0.50000000000000 0.84051956949164 15.999 > 13 15 O 0.50000000000000 0.18455646450180 0.46551956949164 15.999 > 15 16 O 0.50000000000000 0.18455646450180 0.96551956949164 15.999 > 15 17 O 0.68455646450180 0.00000000000000 0.28448043050836 15.999 > 1 18 O 0.68455646450180 0.00000000000000 0.78448043050836 15.999 > 1 19 O 0.50000000000000 0.68455646450180 0.15948043050836 15.999 > 3 20 O 0.50000000000000 0.68455646450180 0.65948043050836 15.999 > 3 21 O 0.50000000000000 0.31544353549820 0.15948043050836 15.999 > 5 22 O 0.50000000000000 0.31544353549820 0.65948043050836 15.999 > 5 23 O 0.81544353549820 0.50000000000000 0.03448043050836 15.999 > 7 24 O 0.81544353549820 0.50000000000000 0.53448043050836 15.999 > 7 25 O 0.50000000000000 0.81544353549820 0.46551956949164 15.999 > 9 26 O 0.50000000000000 0.81544353549820 0.96551956949164 15.999 > 9 27 O 0.81544353549820 0.00000000000000 0.09051956949164 15.999 > 11 28 O 0.81544353549820 0.00000000000000 0.59051956949164 15.999 > 11 29 O 0.18455646450180 0.00000000000000 0.09051956949164 15.999 > 13 30 O 0.18455646450180 0.00000000000000 0.59051956949164 15.999 > 13 31 O 0.00000000000000 0.68455646450180 0.21551956949164 15.999 > 15 32 O 0.00000000000000 0.68455646450180 0.71551956949164 15.999 > 15 33 Si 0.50000000000000 0.00000000000000 0.37500000000000 28.085 > 33 34 Si 0.50000000000000 0.00000000000000 0.87500000000000 28.085 > 33 35 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 35 36 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 35 37 Si 0.00000000000000 0.50000000000000 0.12500000000000 28.085 > 33 38 Si 0.00000000000000 0.50000000000000 0.62500000000000 28.085 > 33 39 Si 0.50000000000000 0.50000000000000 0.25000000000000 28.085 > 35 40 Si 0.50000000000000 0.50000000000000 0.75000000000000 28.085 > 35 41 Zr 0.00000000000000 0.50000000000000 0.37500000000000 91.224 > 41 42 Zr 0.00000000000000 0.50000000000000 0.87500000000000 91.224 > 41 43 Zr 0.00000000000000 0.00000000000000 0.25000000000000 91.224 > 43 44 Zr 0.00000000000000 0.00000000000000 0.75000000000000 91.224 > 43 45 Zr 0.50000000000000 0.00000000000000 0.12500000000000 91.224 > 41 46 Zr 0.50000000000000 0.00000000000000 0.62500000000000 91.224 > 41 47 Zr 0.50000000000000 0.50000000000000 0.00000000000000 91.224 > 43 48 Zr 0.50000000000000 0.50000000000000 0.50000000000000 91.224 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1084107 0.0000000 0.0000000 0.0000000 4.1084107 0.0000000 0.0000000 0.0000000 4.3313260 -------------------------- Born effective charges -------------------------- 1 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 2 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 3 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 4 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 5 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 0.3408685 0.0000000 0.1593788 -2.2531990 6 O -3.1763506 0.0000000 0.3408685 0.0000000 -1.1393435 0.0000000 0.1593788 0.0000000 -2.2531990 7 O -3.1763506 0.0000000 -0.3408685 0.0000000 -1.1393435 0.0000000 -0.1593788 0.0000000 -2.2531990 8 O -1.1393435 0.0000000 0.0000000 0.0000000 -3.1763506 -0.3408685 0.0000000 -0.1593788 -2.2531990 9 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 10 Si 3.2042726 0.0000000 0.0000000 0.0000000 3.2042726 0.0000000 0.0000000 0.0000000 4.3949474 11 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 12 Zr 5.4271154 0.0000000 0.0000000 0.0000000 5.4271154 0.0000000 0.0000000 0.0000000 4.6178484 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (yzy) 0.00000008 (yzy) 0.00000008 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 11 11 11 ] 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: 0.82, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 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 3.855 ( -0.000 -0.000 -0.000) 0.000 5.728 ( 0.000 -0.000 -0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 6.393 ( 0.000 0.000 0.000) 0.000 6.489 ( 0.000 -0.000 -0.000) 0.000 6.489 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.490 ( 0.000 0.000 0.000) 0.000 8.123 ( -0.000 0.000 0.000) 0.000 8.123 ( -0.000 -0.000 -0.000) 0.000 9.798 ( -0.000 0.000 -0.000) 0.000 10.420 ( 0.000 0.000 -0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.886 ( -0.000 0.000 -0.000) 0.000 10.886 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 -0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.301 ( -0.000 0.000 0.000) 0.000 12.561 ( 0.000 -0.000 -0.000) 0.000 15.588 ( 0.000 -0.000 0.000) 0.000 15.588 ( 0.000 -0.000 0.000) 0.000 16.371 ( -0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 -0.000) 0.000 18.248 ( -0.000 0.000 -0.000) 0.000 25.638 ( 0.000 -0.000 -0.000) 0.000 25.638 ( 0.000 -0.000 0.000) 0.000 27.235 ( -0.000 -0.000 0.000) 0.000 27.235 ( 0.000 0.000 0.000) 0.000 27.588 ( -0.000 0.000 -0.000) 0.000 28.414 ( 0.000 0.000 -0.000) 0.000 28.944 ( 0.000 -0.000 -0.000) 0.000 29.960 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 14.528 39.984) 42.542 1.143 ( 0.000 44.695 34.461) 56.438 1.858 ( 0.000 48.188 76.946) 90.789 3.954 ( 0.000 9.276 4.351) 10.246 5.723 ( 0.000 4.621 -4.826) 6.681 5.736 ( 0.000 6.347 -5.076) 8.127 6.354 ( 0.000 -0.937 -15.959) 15.986 6.392 ( 0.000 1.315 -7.247) 7.365 6.501 ( 0.000 5.658 3.875) 6.858 7.146 ( -0.000 0.412 3.331) 3.356 7.531 ( 0.000 3.233 2.903) 4.345 8.207 ( -0.000 0.119 9.775) 9.776 8.627 ( 0.000 38.420 -33.510) 50.981 10.313 ( -0.000 -13.759 -1.148) 13.807 10.405 ( -0.000 -0.362 -1.666) 1.705 10.732 ( -0.000 -20.055 17.278) 26.471 10.928 ( -0.000 -1.238 5.889) 6.018 11.253 ( -0.000 -4.783 -8.930) 10.131 11.471 ( -0.000 -4.772 -3.964) 6.204 12.241 ( -0.000 -17.220 19.149) 25.753 12.359 ( -0.000 -1.053 8.737) 8.800 12.666 ( 0.000 18.260 -5.976) 19.213 13.607 ( -0.000 -7.596 0.599) 7.619 15.519 ( -0.000 -6.484 -3.331) 7.290 15.544 ( 0.000 1.538 -7.050) 7.216 16.196 ( 0.000 -0.357 -20.084) 20.088 17.954 ( -0.000 -41.184 38.469) 56.356 18.418 ( -0.000 0.807 18.926) 18.943 25.653 ( -0.000 -0.256 2.181) 2.196 26.797 ( 0.000 95.164 -87.991) 129.610 27.174 ( -0.000 -4.419 -3.543) 5.665 27.222 ( 0.000 0.170 -1.837) 1.845 27.625 ( 0.000 2.889 1.540) 3.274 28.375 ( 0.000 1.408 -6.116) 6.275 29.927 ( 0.000 0.332 -4.513) 4.526 31.767 ( -0.000 -56.201 54.729) 78.446 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 13.736 38.561) 40.934 2.266 ( 0.000 41.821 34.838) 54.431 3.631 ( 0.000 45.051 71.074) 84.149 4.220 ( 0.000 15.615 7.191) 17.191 5.708 ( 0.000 7.827 -8.450) 11.518 5.725 ( 0.000 7.075 -9.143) 11.561 6.021 ( 0.000 -3.548 -22.525) 22.803 6.307 ( 0.000 13.411 -13.961) 19.359 6.728 ( 0.000 5.392 14.450) 15.423 7.226 ( -0.000 0.639 6.097) 6.130 7.670 ( 0.000 7.563 5.478) 9.338 8.383 ( -0.000 0.711 11.706) 11.728 8.622 ( 0.000 9.925 -11.837) 15.448 10.023 ( -0.000 -22.517 -3.435) 22.778 10.363 ( -0.000 -0.734 -2.618) 2.719 10.657 ( -0.000 -17.290 6.235) 18.380 10.987 ( -0.000 -5.112 5.254) 7.330 11.020 ( -0.000 -4.043 -12.156) 12.811 11.304 ( -0.000 -7.003 -5.610) 8.973 12.324 ( -0.000 -20.512 21.498) 29.714 12.542 ( -0.000 -1.654 17.826) 17.903 12.810 ( 0.000 23.426 -12.092) 26.363 13.529 ( 0.000 2.903 -4.247) 5.144 15.307 ( -0.000 -12.292 -7.161) 14.226 15.420 ( 0.000 2.924 -13.218) 13.538 15.842 ( 0.000 -0.302 -23.798) 23.799 17.986 ( -0.000 -18.994 20.026) 27.601 18.761 ( -0.000 1.141 22.427) 22.456 25.693 ( -0.000 -0.541 3.597) 3.637 26.760 ( 0.000 39.252 -38.347) 54.875 27.019 ( -0.000 -4.637 -8.437) 9.627 27.188 ( 0.000 0.405 -3.058) 3.085 27.694 ( 0.000 2.704 2.117) 3.434 28.286 ( 0.000 2.308 -8.170) 8.490 29.837 ( 0.000 0.611 -7.862) 7.886 31.845 ( -0.000 -26.748 30.161) 40.313 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 12.424 35.739) 37.837 3.332 ( 0.000 36.071 34.205) 49.710 4.568 ( 0.000 17.572 7.274) 19.019 5.202 ( 0.000 39.016 54.953) 67.395 5.602 ( -0.000 -6.349 -21.870) 22.773 5.669 ( 0.000 3.857 -4.744) 6.114 5.682 ( 0.000 8.176 -10.413) 13.239 6.376 ( 0.000 23.884 -10.370) 26.039 7.056 ( 0.000 7.764 15.595) 17.421 7.338 ( -0.000 0.488 7.131) 7.148 7.899 ( 0.000 11.359 7.382) 13.547 8.511 ( -0.000 -5.017 -8.265) 9.669 8.562 ( -0.000 1.547 9.238) 9.366 9.640 ( -0.000 -22.848 -3.494) 23.114 10.309 ( -0.000 -1.496 -2.394) 2.823 10.472 ( -0.000 -15.774 0.697) 15.789 10.797 ( -0.000 -2.855 -10.720) 11.093 10.850 ( -0.000 -12.912 -6.690) 14.542 11.199 ( -0.000 -3.318 1.300) 3.563 12.163 ( -0.000 -23.578 -3.048) 23.775 12.843 ( -0.000 -1.977 24.312) 24.392 13.031 ( 0.000 19.761 1.843) 19.846 13.577 ( 0.000 9.544 -2.046) 9.761 14.999 ( -0.000 -15.109 -6.801) 16.569 15.230 ( 0.000 3.844 -17.497) 17.914 15.494 ( 0.000 -0.830 -20.886) 20.902 18.037 ( -0.000 -10.370 13.207) 16.792 19.090 ( -0.000 0.831 18.406) 18.424 25.742 ( -0.000 -0.760 3.792) 3.867 26.711 ( 0.000 8.420 -12.072) 14.718 26.806 ( 0.000 6.726 -19.854) 20.963 27.146 ( 0.000 0.627 -3.261) 3.320 27.760 ( 0.000 1.320 2.971) 3.251 28.205 ( 0.000 2.366 -6.608) 7.019 29.715 ( 0.000 0.741 -9.033) 9.063 31.937 ( -0.000 -15.683 19.976) 25.397 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 0.000 10.326 30.417) 32.121 4.264 ( 0.000 27.086 30.170) 40.545 4.862 ( 0.000 13.636 -2.208) 13.814 5.214 ( -0.000 -7.143 -11.344) 13.406 5.528 ( -0.000 -1.527 -6.281) 6.464 5.629 ( 0.000 5.729 -9.766) 11.323 6.369 ( 0.000 36.972 8.763) 37.996 6.741 ( 0.000 20.383 25.962) 33.007 7.373 ( 0.000 9.648 8.655) 12.961 7.442 ( -0.000 0.182 5.522) 5.525 8.198 ( 0.000 13.050 9.228) 15.983 8.221 ( -0.000 -19.702 -5.702) 20.510 8.689 ( 0.000 1.218 4.280) 4.450 9.365 ( -0.000 -11.461 -0.283) 11.464 10.244 ( -0.000 -4.640 -1.393) 4.845 10.281 ( -0.000 -12.464 0.398) 12.470 10.537 ( -0.000 -10.559 -9.785) 14.396 10.627 ( 0.000 -0.367 -7.966) 7.974 11.188 ( -0.000 -2.606 1.730) 3.128 11.682 ( -0.000 -21.042 -16.477) 26.726 13.191 ( -0.000 -2.101 23.752) 23.845 13.319 ( 0.000 11.744 4.896) 12.724 13.680 ( 0.000 8.582 -1.904) 8.790 14.751 ( -0.000 -13.341 1.916) 13.477 15.009 ( 0.000 3.750 -17.816) 18.207 15.183 ( 0.000 -0.526 -18.660) 18.668 18.096 ( -0.000 -5.080 8.177) 9.627 19.328 ( -0.000 0.303 11.600) 11.604 25.782 ( -0.000 -0.712 2.791) 2.880 26.547 ( -0.000 -10.299 -3.964) 11.035 26.709 ( 0.000 16.531 -16.744) 23.529 27.110 ( 0.000 0.621 -2.423) 2.501 27.820 ( -0.000 0.087 3.506) 3.507 28.151 ( 0.000 1.778 -4.352) 4.702 29.597 ( 0.000 0.619 -7.340) 7.366 32.012 ( -0.000 -8.660 11.831) 14.662 ======================= Grid point 5 (6/126) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 0.000 5.315 16.043) 16.901 4.717 ( 0.000 -1.733 -13.160) 13.274 4.954 ( 0.000 16.890 20.164) 26.303 5.242 ( 0.000 3.285 5.978) 6.821 5.347 ( -0.000 -8.652 -9.557) 12.892 5.547 ( 0.000 1.241 -6.338) 6.458 6.794 ( 0.000 27.539 -3.485) 27.759 7.264 ( -0.000 -3.287 9.247) 9.814 7.502 ( -0.000 0.024 2.022) 2.022 7.529 ( 0.000 3.529 1.662) 3.900 7.977 ( -0.000 -9.944 6.545) 11.905 8.501 ( 0.000 9.600 8.191) 12.619 8.700 ( -0.000 -2.357 -2.373) 3.345 9.301 ( -0.000 -0.997 1.056) 1.452 10.123 ( -0.000 -6.331 -1.900) 6.610 10.157 ( -0.000 -5.972 0.625) 6.005 10.358 ( -0.000 -1.068 -3.306) 3.475 10.564 ( 0.000 2.361 -2.483) 3.426 11.178 ( -0.000 -1.108 0.546) 1.236 11.207 ( -0.000 -11.428 -11.045) 15.893 13.451 ( -0.000 -1.126 11.219) 11.275 13.464 ( 0.000 3.634 0.600) 3.683 13.741 ( 0.000 3.130 -0.785) 3.227 14.719 ( -0.000 -6.596 10.928) 12.765 14.830 ( 0.000 1.776 -8.909) 9.084 14.924 ( 0.000 1.467 -15.308) 15.378 18.137 ( -0.000 -1.463 2.851) 3.204 19.448 ( -0.000 0.023 3.917) 3.917 25.805 ( -0.000 -0.296 1.013) 1.056 26.396 ( -0.000 -3.308 -2.466) 4.126 26.695 ( 0.000 4.964 -4.893) 6.970 27.091 ( 0.000 0.265 -0.884) 0.923 27.862 ( -0.000 -0.200 1.790) 1.801 28.121 ( 0.000 0.712 -1.716) 1.858 29.522 ( 0.000 0.243 -2.862) 2.872 32.054 ( -0.000 -2.803 3.941) 4.836 ======================= Grid point 12 (7/126) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 19.018 19.018 37.860) 46.441 1.825 ( 27.111 27.111 35.077) 51.966 3.292 ( 20.071 20.071 84.052) 88.715 4.111 ( 8.134 8.134 8.272) 14.169 5.653 ( 3.685 3.685 -8.427) 9.908 5.674 ( 5.403 5.403 -7.286) 10.558 6.106 ( 2.454 2.454 -19.780) 20.082 6.139 ( 3.532 3.532 -20.635) 21.231 6.693 ( 1.767 1.767 15.566) 15.766 7.222 ( 0.451 0.451 6.263) 6.295 7.622 ( 4.274 4.274 5.125) 7.925 8.328 ( -3.232 -3.232 10.612) 11.554 8.574 ( 11.211 11.211 -3.640) 16.267 10.272 ( -6.818 -6.818 -2.397) 9.935 10.282 ( -6.122 -6.122 -4.014) 9.544 10.866 ( -10.063 -10.063 9.461) 17.089 10.897 ( -6.389 -6.389 -1.495) 9.159 11.101 ( 0.218 0.218 -9.161) 9.166 11.353 ( -4.144 -4.144 -7.194) 9.279 12.449 ( -8.298 -8.298 21.726) 24.693 12.589 ( 1.773 1.773 16.122) 16.316 12.634 ( 15.980 15.980 -14.682) 26.949 13.516 ( -6.808 -6.808 -1.750) 9.786 15.329 ( -3.326 -3.326 -12.615) 13.463 15.455 ( 2.348 2.348 -10.960) 11.452 15.834 ( 0.093 0.093 -25.325) 25.326 18.183 ( -16.932 -16.932 17.946) 29.924 18.725 ( -1.717 -1.717 23.239) 23.366 25.693 ( -0.502 -0.502 3.193) 3.271 26.392 ( 36.933 36.933 -32.261) 61.392 27.064 ( -7.664 -7.664 -4.798) 11.853 27.200 ( 1.276 1.276 -1.868) 2.598 27.683 ( 2.385 2.385 3.053) 4.550 28.265 ( 1.923 1.923 -9.397) 9.782 29.834 ( 1.637 1.637 -8.942) 9.237 32.064 ( -21.408 -21.408 24.145) 38.724 ======================= Grid point 13 (8/126) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 27.624 9.850 36.420) 46.760 2.862 ( 9.235 39.959 34.035) 53.295 4.402 ( 6.333 12.519 10.254) 17.377 4.790 ( 7.667 24.722 66.927) 71.757 5.582 ( 0.016 3.184 -6.989) 7.681 5.649 ( 5.764 6.147 -6.684) 10.756 5.763 ( 11.423 -3.094 -19.401) 22.726 6.043 ( -2.266 20.511 -14.557) 25.253 6.977 ( 1.750 4.837 14.763) 15.634 7.343 ( 1.211 0.635 8.350) 8.461 7.797 ( 4.724 8.256 6.388) 11.458 8.421 ( -8.841 -3.430 5.782) 11.107 8.647 ( 6.708 3.029 0.469) 7.375 9.967 ( 1.750 -20.995 -5.359) 21.739 10.226 ( -12.614 0.416 -3.676) 13.145 10.669 ( 1.529 -8.879 -7.545) 11.752 10.825 ( -6.487 -7.323 -2.194) 10.026 10.963 ( -5.839 -9.148 -5.715) 12.265 11.200 ( -4.617 -3.167 -3.083) 6.391 12.406 ( 2.661 -6.684 -15.328) 16.932 12.831 ( 2.414 7.056 18.493) 19.940 12.890 ( 2.255 1.793 19.493) 19.705 13.468 ( -3.334 1.936 0.744) 3.926 15.084 ( -4.149 -3.219 -12.993) 14.014 15.263 ( 6.017 -0.600 -15.388) 16.533 15.474 ( -1.525 1.273 -22.799) 22.886 18.194 ( -4.255 -13.326 12.251) 18.595 19.040 ( -4.807 -0.499 19.213) 19.811 25.733 ( -2.051 -0.701 2.983) 3.687 26.458 ( 16.843 28.565 -21.152) 39.333 26.845 ( -10.660 -11.532 -5.518) 16.645 27.195 ( 5.694 1.476 -1.390) 6.044 27.764 ( 2.381 1.325 3.936) 4.788 28.163 ( 1.502 4.059 -8.990) 9.977 29.711 ( 2.518 2.576 -10.672) 11.264 32.103 ( -11.289 -18.320 17.969) 28.035 ======================= Grid point 14 (9/126) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 25.494 9.021 32.646) 42.392 3.884 ( 5.783 33.901 31.978) 46.961 4.718 ( 4.873 11.648 6.917) 14.397 5.330 ( 3.183 -4.282 -13.296) 14.326 5.511 ( -1.246 0.090 -1.650) 2.070 5.610 ( 6.424 5.426 -6.883) 10.867 5.900 ( 1.259 29.201 -0.062) 29.228 6.473 ( 6.415 23.027 37.854) 44.769 7.236 ( 0.408 8.351 6.080) 10.338 7.482 ( 4.507 0.640 8.371) 9.529 8.042 ( 2.916 11.824 7.706) 14.412 8.352 ( -9.810 -11.440 -1.548) 15.149 8.702 ( 3.480 1.218 3.063) 4.794 9.610 ( 4.160 -18.190 -3.680) 19.019 10.182 ( -11.813 0.328 -2.728) 12.129 10.457 ( 2.022 -9.342 -3.701) 10.250 10.651 ( -4.091 -9.848 -11.296) 15.535 10.670 ( -3.669 -8.732 -6.482) 11.477 11.158 ( -7.789 -1.950 0.013) 8.029 11.955 ( 3.533 -12.817 -23.362) 26.880 13.190 ( -1.048 0.877 16.014) 16.072 13.223 ( 3.043 5.081 19.983) 20.842 13.555 ( -2.952 5.894 1.897) 6.859 14.883 ( -0.805 -4.626 -4.977) 6.843 15.006 ( 4.775 -0.215 -16.269) 16.957 15.171 ( -1.453 1.115 -19.708) 19.793 18.199 ( 0.006 -8.536 7.971) 11.679 19.275 ( -6.187 -0.138 11.995) 13.497 25.762 ( -3.734 -0.590 1.942) 4.250 26.462 ( 4.095 14.093 -20.652) 25.336 26.662 ( -5.407 -5.758 1.959) 8.139 27.198 ( 10.653 1.042 -0.510) 10.716 27.834 ( 2.016 -0.056 3.964) 4.448 28.106 ( 0.327 4.589 -6.520) 7.980 29.594 ( 3.270 3.159 -9.410) 10.451 32.110 ( -8.745 -13.914 11.982) 20.338 ======================= Grid point 15 (10/126) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 26.092 6.112 23.128) 35.398 4.652 ( -1.142 11.730 9.317) 15.023 4.814 ( 9.154 9.883 2.701) 13.739 5.247 ( 2.402 0.189 9.361) 9.666 5.439 ( -1.239 -5.593 -3.941) 6.953 5.568 ( 5.451 1.305 -4.549) 7.219 6.266 ( -2.032 41.005 -9.298) 42.095 7.267 ( 7.712 9.560 18.332) 22.067 7.375 ( -3.902 5.964 3.426) 7.908 7.604 ( 9.595 1.923 5.297) 11.128 8.126 ( -10.856 -17.990 3.138) 21.245 8.349 ( 0.510 13.555 8.404) 15.957 8.745 ( 3.198 -0.765 0.847) 3.395 9.398 ( 5.284 -8.620 0.132) 10.112 10.146 ( -9.725 -2.615 -1.363) 10.163 10.284 ( -0.691 -11.194 -1.426) 11.306 10.313 ( -7.616 -7.134 -10.923) 15.106 10.548 ( 0.550 0.672 -3.978) 4.072 11.126 ( -8.015 -0.648 -1.638) 8.207 11.437 ( 5.767 -12.055 -18.694) 22.979 13.362 ( -4.785 0.748 4.973) 6.942 13.521 ( 6.877 3.567 9.087) 11.941 13.658 ( -4.993 2.569 4.005) 6.897 14.810 ( 0.654 -2.718 -3.102) 4.176 14.823 ( 1.954 -1.229 -2.918) 3.721 14.919 ( 1.486 1.151 -11.763) 11.913 18.194 ( 1.612 -4.779 3.242) 5.995 19.395 ( -6.922 -0.011 3.836) 7.914 25.775 ( -4.369 -0.192 0.549) 4.408 26.293 ( -7.490 3.676 -13.237) 15.647 26.708 ( 3.130 0.701 5.402) 6.282 27.209 ( 14.146 -0.004 0.990) 14.180 27.874 ( 1.619 -0.193 1.265) 2.063 28.089 ( -0.549 3.358 -2.856) 4.442 29.525 ( 3.794 3.291 -5.196) 7.227 32.080 ( -8.309 -9.391 5.122) 13.545 ======================= Grid point 16 (11/126) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 28.001 -4.557 -9.004) 29.764 4.672 ( 0.027 3.280 9.388) 9.945 5.186 ( 1.437 -11.675 -10.427) 15.719 5.225 ( 2.735 8.683 9.317) 13.026 5.357 ( 3.453 -8.253 5.811) 10.668 5.577 ( 4.803 1.911 6.613) 8.393 6.743 ( -2.131 32.659 -0.665) 32.736 7.259 ( 0.778 1.585 -11.339) 11.476 7.470 ( -2.311 -7.213 4.620) 8.872 7.641 ( 9.763 -1.169 -3.532) 10.448 7.975 ( -7.763 -13.241 -0.909) 15.376 8.610 ( 2.138 4.251 2.437) 5.346 8.677 ( 2.570 -3.459 -2.083) 4.787 9.342 ( 4.210 -2.785 0.287) 5.056 10.033 ( -5.593 0.527 -4.945) 7.484 10.138 ( -0.162 -2.825 -3.315) 4.358 10.233 ( -13.068 1.694 1.601) 13.274 10.569 ( -1.032 1.000 3.631) 3.905 11.119 ( -5.027 3.382 -1.131) 6.164 11.167 ( 6.358 0.615 -3.248) 7.166 13.361 ( -7.007 0.794 -7.680) 10.426 13.571 ( 6.207 0.041 -2.595) 6.728 13.750 ( -1.489 -1.692 6.338) 6.726 14.654 ( 1.278 3.818 -15.050) 15.579 14.838 ( -1.998 -0.664 10.394) 10.605 14.978 ( 3.884 -2.423 12.993) 13.776 18.157 ( 2.103 -2.129 -2.049) 3.627 19.392 ( -7.339 0.260 -4.306) 8.513 25.771 ( -3.913 0.107 -1.037) 4.050 26.216 ( -10.072 6.788 -5.751) 13.439 26.816 ( 4.386 -4.005 11.693) 13.115 27.226 ( 15.560 -1.549 2.643) 15.859 27.867 ( 1.439 0.487 -2.196) 2.670 28.108 ( -0.845 1.794 0.478) 2.040 29.532 ( 4.009 2.911 0.498) 4.979 32.006 ( -8.473 -4.471 -2.444) 9.888 ======================= Grid point 17 (12/126) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 26.481 -11.046 -26.077) 38.771 4.619 ( 2.929 -21.024 -22.507) 30.938 5.035 ( 4.660 -2.675 17.911) 18.700 5.212 ( 4.425 -6.245 0.194) 7.656 5.490 ( 1.013 3.502 9.770) 10.428 5.736 ( 5.020 -3.366 12.648) 14.018 6.808 ( -1.793 -22.896 -3.737) 23.268 6.976 ( 2.036 -9.351 -24.000) 25.838 7.430 ( -0.573 -6.007 -7.386) 9.537 7.543 ( 6.779 0.634 -8.058) 10.549 7.853 ( -11.250 13.718 3.367) 18.057 8.419 ( 6.013 -12.625 -6.050) 15.237 8.704 ( 0.249 1.195 -2.917) 3.162 9.305 ( 4.106 2.014 -2.498) 5.211 10.083 ( -7.924 8.766 0.192) 11.818 10.138 ( 0.308 8.062 -2.110) 8.339 10.355 ( -9.388 6.654 7.388) 13.675 10.643 ( 0.384 -0.538 6.245) 6.280 11.096 ( -6.808 2.110 -2.986) 7.727 11.424 ( 4.950 21.020 8.183) 23.093 13.140 ( -2.840 2.314 -22.185) 22.485 13.501 ( 2.002 -10.542 1.966) 10.909 13.791 ( 0.389 -7.806 6.884) 10.415 14.570 ( 1.778 13.150 -9.273) 16.189 15.057 ( -0.960 -1.817 18.571) 18.685 15.174 ( 0.442 -0.376 15.133) 15.144 18.073 ( 1.951 0.176 -7.104) 7.369 19.273 ( -7.489 0.440 -11.971) 14.128 25.748 ( -3.243 0.400 -2.356) 4.028 26.302 ( -10.140 10.868 0.428) 14.870 26.954 ( 5.115 -9.956 19.157) 22.187 27.242 ( 14.317 -3.202 3.676) 15.124 27.835 ( 2.138 0.082 -2.056) 2.968 28.148 ( -0.844 1.343 1.992) 2.547 29.613 ( 3.923 2.241 5.069) 6.790 31.883 ( -8.814 1.009 -10.672) 13.878 ======================= Grid point 18 (13/126) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 29.489 -14.155 -29.310) 43.920 3.845 ( 8.232 -30.241 -30.567) 43.779 4.866 ( 4.593 -20.410 -2.828) 21.111 5.503 ( -0.465 3.647 17.175) 17.564 5.637 ( 0.011 -10.245 3.512) 10.830 5.826 ( 4.487 -10.160 3.124) 11.537 5.937 ( 12.710 -26.709 -24.122) 38.168 6.668 ( -2.805 -20.941 3.971) 21.498 7.156 ( -1.537 -6.693 -15.153) 16.637 7.379 ( 3.544 -2.542 -8.219) 9.305 8.063 ( -2.031 -5.052 -6.279) 8.311 8.287 ( -8.364 4.179 5.234) 10.715 8.663 ( 7.577 1.686 -0.839) 7.808 9.391 ( 3.930 15.874 -0.827) 16.374 10.192 ( -9.634 4.424 1.578) 10.718 10.267 ( -0.125 14.108 -1.782) 14.221 10.617 ( -7.455 12.496 6.552) 15.958 10.767 ( 0.536 2.601 8.787) 9.179 11.095 ( -6.843 4.250 -2.663) 8.484 11.821 ( 2.346 27.270 -3.819) 27.636 12.816 ( 0.541 2.344 -23.026) 23.152 13.346 ( 3.977 -19.394 6.457) 20.824 13.727 ( -1.194 -14.339 5.441) 15.383 14.744 ( 0.499 20.591 -0.169) 20.598 15.291 ( 0.095 -3.535 16.073) 16.458 15.447 ( -2.590 3.269 18.500) 18.964 17.953 ( 1.219 2.870 -11.276) 11.699 19.044 ( -7.285 0.096 -18.568) 19.946 25.715 ( -2.049 0.637 -2.917) 3.621 26.503 ( -9.243 12.509 3.992) 16.058 27.127 ( 6.620 -13.664 24.955) 29.211 27.250 ( 10.229 -5.501 5.557) 12.875 27.812 ( 3.899 -2.643 1.282) 4.881 28.210 ( -0.544 1.371 3.859) 4.131 29.734 ( 3.649 1.701 6.829) 7.927 31.707 ( -9.549 7.242 -20.038) 23.349 ======================= Grid point 19 (14/126) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 36.483 -17.048 -27.444) 48.732 2.901 ( 13.169 -36.731 -32.139) 50.552 4.386 ( 6.307 -53.869 -51.965) 75.113 4.521 ( 6.645 -20.855 -4.762) 22.400 5.789 ( -2.143 -3.220 13.298) 13.849 5.890 ( 7.151 -9.586 8.969) 14.949 6.033 ( 8.843 2.676 22.380) 24.212 6.472 ( -2.628 -13.840 2.171) 14.254 6.839 ( 0.349 -9.647 -9.943) 13.858 7.242 ( 0.541 -1.124 -6.459) 6.578 7.825 ( 3.848 -9.798 -7.017) 12.651 8.283 ( -12.361 1.134 -9.307) 15.514 8.798 ( 8.990 -2.942 16.654) 19.153 9.702 ( 2.366 25.065 2.078) 25.262 10.260 ( -11.196 2.175 1.653) 11.524 10.437 ( 0.384 15.112 -3.685) 15.559 10.786 ( -11.721 6.500 -2.095) 13.565 10.984 ( 1.559 7.395 8.355) 11.266 11.165 ( -4.893 8.182 1.984) 9.737 11.972 ( -2.093 25.931 -24.494) 35.732 12.550 ( 5.667 2.911 -15.831) 17.065 13.209 ( 9.890 -22.466 12.640) 27.610 13.609 ( -5.697 -14.469 7.221) 17.145 15.054 ( -0.814 21.220 1.029) 21.260 15.447 ( -3.677 -2.183 9.567) 10.480 15.807 ( -1.348 3.378 22.095) 22.393 17.811 ( -0.185 5.464 -15.156) 16.112 18.725 ( -6.493 -0.543 -22.297) 23.230 25.679 ( -0.605 0.572 -2.746) 2.870 26.746 ( -8.307 11.728 5.589) 15.421 27.229 ( 4.074 -1.168 1.259) 4.421 27.388 ( 11.843 -20.887 38.270) 45.178 27.794 ( 4.857 -8.234 6.109) 11.345 28.306 ( 0.393 0.096 7.359) 7.370 29.854 ( 3.466 1.650 5.573) 6.767 31.462 ( -11.766 14.634 -32.870) 37.855 ======================= Grid point 20 (15/126) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 47.255 -21.099 -16.590) 54.346 1.900 ( 24.609 -38.437 -29.599) 54.398 2.794 ( 12.207 -65.972 -46.052) 81.376 4.196 ( 8.233 -16.817 -3.323) 19.017 5.857 ( 5.687 -8.343 5.802) 11.646 5.880 ( 3.803 -9.483 7.010) 12.391 6.325 ( -1.884 1.310 4.228) 4.811 6.416 ( 4.332 1.038 7.954) 9.116 6.629 ( 0.981 -11.441 1.883) 11.637 7.154 ( 0.062 -0.521 -3.503) 3.542 7.619 ( 2.991 -6.007 -4.877) 8.296 8.142 ( -7.463 1.108 -9.329) 11.998 9.086 ( 9.407 -11.669 38.200) 41.035 10.050 ( -0.309 21.925 -1.907) 22.010 10.300 ( -12.241 2.029 -0.404) 12.414 10.512 ( -0.055 10.492 -12.435) 16.270 10.779 ( -12.672 3.822 -5.380) 14.288 11.190 ( 1.234 7.756 5.289) 9.469 11.343 ( -4.746 8.931 3.325) 10.646 11.886 ( -7.358 21.659 -25.611) 34.339 12.414 ( 10.261 2.366 -7.461) 12.905 13.041 ( 12.423 -20.519 3.539) 24.247 13.583 ( -6.293 -10.656 10.183) 16.027 15.319 ( -0.404 19.656 -3.662) 19.998 15.518 ( -8.884 -1.512 3.170) 9.553 16.174 ( -0.773 2.506 18.802) 18.984 17.627 ( -1.771 5.224 -19.593) 20.354 18.392 ( -4.518 -0.718 -18.315) 18.877 25.650 ( 0.253 0.314 -1.743) 1.789 26.975 ( -7.505 10.467 3.786) 13.424 27.228 ( 0.400 -0.632 0.516) 0.909 27.679 ( 8.774 -2.515 5.955) 10.899 27.923 ( 13.114 -29.767 64.784) 72.491 28.431 ( 3.711 -6.184 15.707) 17.284 29.939 ( 3.979 2.515 1.645) 4.986 31.047 ( -17.927 21.742 -59.430) 65.773 ======================= Grid point 21 (16/126) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 35.884 -35.884 -0.000) 50.747 1.155 ( 41.762 -41.762 -0.000) 59.060 1.390 ( 50.095 -50.095 -0.000) 70.846 3.986 ( 9.297 -9.297 -0.000) 13.148 5.802 ( 5.279 -5.279 -0.000) 7.466 5.815 ( 6.164 -6.164 -0.000) 8.717 6.352 ( -3.038 3.038 0.000) 4.297 6.510 ( 1.564 -1.564 -0.000) 2.212 6.553 ( 4.559 -4.559 -0.000) 6.448 7.122 ( 0.266 -0.266 -0.000) 0.376 7.526 ( 2.535 -2.535 -0.000) 3.585 8.085 ( -2.736 2.736 0.000) 3.869 9.773 ( -1.949 1.949 0.000) 2.756 9.925 ( -3.712 3.712 0.000) 5.249 10.345 ( -5.385 5.385 0.000) 7.616 10.404 ( -1.013 1.013 0.000) 1.432 10.799 ( -5.893 5.893 0.000) 8.334 11.326 ( -3.149 3.149 0.000) 4.453 11.467 ( -4.904 4.904 0.000) 6.936 11.889 ( -12.219 12.219 0.000) 17.281 12.357 ( 4.082 -4.082 -0.000) 5.773 12.808 ( 14.079 -14.079 -0.000) 19.911 13.552 ( 3.191 -3.191 -0.000) 4.513 15.479 ( -7.646 7.646 0.000) 10.813 15.534 ( -3.805 3.805 0.000) 5.381 16.360 ( -0.944 0.944 0.000) 1.335 17.405 ( 2.872 -2.872 -0.000) 4.061 18.234 ( -0.980 0.980 0.000) 1.387 25.638 ( 0.056 -0.056 -0.000) 0.080 27.130 ( -7.166 7.166 0.000) 10.135 27.229 ( -0.278 0.278 0.000) 0.393 27.643 ( 3.869 -3.869 -0.000) 5.471 28.383 ( -2.300 2.300 0.000) 3.252 29.045 ( 6.800 -6.800 -0.000) 9.617 29.978 ( 1.277 -1.277 -0.000) 1.806 30.167 ( -4.345 4.345 0.000) 6.145 ======================= Grid point 24 (17/126) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 18.419 18.419 34.502) 43.231 3.578 ( 26.974 26.974 30.426) 48.795 4.673 ( 8.680 8.680 10.488) 16.146 5.381 ( 3.753 3.753 -1.248) 5.452 5.516 ( -2.274 -2.274 -0.697) 3.290 5.622 ( 9.664 9.664 -22.882) 26.653 5.685 ( 7.745 7.745 -1.856) 11.109 6.346 ( 17.322 17.322 47.151) 53.135 7.179 ( 4.662 4.662 4.840) 8.179 7.516 ( 3.008 3.008 10.260) 11.107 7.974 ( 7.643 7.643 5.393) 12.080 8.353 ( -10.471 -10.471 1.576) 14.892 8.720 ( 2.275 2.275 1.592) 3.590 9.874 ( -6.757 -6.757 -6.681) 11.660 9.993 ( -7.316 -7.316 -1.931) 10.526 10.542 ( 0.940 0.940 -8.745) 8.845 10.702 ( -9.991 -9.991 -12.841) 19.092 10.711 ( -10.492 -10.492 -0.294) 14.840 11.096 ( -5.034 -5.034 -1.496) 7.275 12.076 ( -1.371 -1.371 -26.683) 26.753 13.185 ( -2.259 -2.259 17.063) 17.359 13.208 ( 4.297 4.297 22.076) 22.897 13.482 ( 0.347 0.347 3.474) 3.508 14.896 ( 0.336 0.336 -7.030) 7.046 15.082 ( 2.813 2.813 -16.685) 17.152 15.126 ( -1.367 -1.367 -19.138) 19.236 18.272 ( -4.980 -4.980 6.997) 9.928 19.219 ( -4.689 -4.689 12.914) 14.517 25.732 ( -2.341 -2.341 1.273) 3.547 26.394 ( 11.042 11.042 -18.983) 24.581 26.659 ( -6.013 -6.013 1.572) 8.648 27.276 ( 5.866 5.866 1.074) 8.364 27.857 ( 1.249 1.249 4.524) 4.857 28.065 ( 3.591 3.591 -8.264) 9.700 29.596 ( 4.452 4.452 -10.339) 12.105 32.147 ( -14.216 -14.216 11.860) 23.342 ======================= Grid point 25 (18/126) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 30.972 7.595 29.656) 43.548 4.443 ( 12.269 27.399 25.689) 39.511 4.871 ( 10.591 4.515 -1.234) 11.579 5.290 ( 6.559 0.026 -1.809) 6.804 5.459 ( -4.796 2.104 -4.338) 6.801 5.556 ( 1.828 9.729 -6.472) 11.827 5.813 ( 4.960 17.752 -3.874) 18.835 7.230 ( 6.603 9.312 -4.083) 12.123 7.289 ( 9.149 11.516 34.054) 37.095 7.708 ( 8.713 2.656 8.733) 12.619 8.170 ( -8.648 -5.861 0.036) 10.447 8.178 ( -3.435 2.201 3.790) 5.569 8.783 ( 2.631 1.357 3.499) 4.584 9.646 ( 5.758 -13.325 -1.056) 14.554 9.957 ( -14.710 1.791 -1.341) 14.879 10.330 ( -10.249 -11.958 -14.756) 21.582 10.438 ( 1.657 -6.816 -2.594) 7.479 10.542 ( -5.425 -4.279 -4.920) 8.482 11.017 ( -8.021 -1.839 -2.754) 8.677 11.624 ( 1.194 -6.551 -23.010) 23.954 13.309 ( -4.859 -2.760 4.001) 6.873 13.525 ( 4.839 7.115 2.764) 9.038 13.596 ( -1.759 -1.194 16.404) 16.541 14.822 ( 0.115 -0.289 -11.178) 11.183 14.876 ( 2.672 0.752 -10.999) 11.343 14.931 ( 1.480 0.467 1.468) 2.136 18.281 ( 0.384 -4.114 2.572) 4.867 19.298 ( -8.481 -3.410 4.693) 10.275 25.718 ( -4.178 -1.274 0.412) 4.388 26.184 ( -4.366 -0.299 -14.276) 14.931 26.728 ( 4.630 3.967 5.816) 8.426 27.377 ( 11.078 3.519 3.431) 12.119 27.915 ( 2.928 -0.852 1.691) 3.487 28.021 ( 0.272 5.444 -5.134) 7.488 29.532 ( 6.086 5.712 -6.874) 10.813 32.088 ( -13.533 -13.686 5.872) 20.123 ======================= Grid point 26 (19/126) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( 45.511 -2.585 0.924) 45.593 4.653 ( 1.976 0.918 5.844) 6.237 5.126 ( 5.612 10.786 13.109) 17.879 5.342 ( -0.653 -5.482 -7.170) 9.049 5.485 ( 1.536 -2.468 17.052) 17.298 5.627 ( 6.382 4.962 2.445) 8.446 6.145 ( -1.257 40.839 -2.623) 40.943 7.162 ( 1.388 10.210 -16.770) 19.683 7.637 ( 4.436 -10.478 6.326) 13.018 7.818 ( 12.500 -0.787 1.235) 12.586 8.001 ( -11.663 -9.765 1.074) 15.249 8.444 ( -3.320 13.731 5.872) 15.299 8.821 ( 5.645 -3.626 1.076) 6.795 9.503 ( 6.856 -8.695 1.631) 11.193 9.961 ( -10.158 -4.177 -8.109) 13.652 9.988 ( -16.530 -1.517 -3.183) 16.902 10.243 ( 0.994 -8.102 -5.320) 9.743 10.527 ( -2.100 1.741 2.856) 3.949 10.977 ( -7.270 3.302 -2.862) 8.482 11.276 ( 3.776 -3.681 -11.636) 12.775 13.252 ( -6.725 0.313 -8.783) 11.067 13.593 ( -2.243 -0.775 3.222) 4.002 13.796 ( 8.138 3.045 6.042) 10.583 14.648 ( 0.632 -0.639 -11.329) 11.364 14.802 ( -2.806 0.565 4.508) 5.340 15.066 ( 4.101 -1.239 12.344) 13.066 18.236 ( 3.065 -3.112 -1.994) 4.802 19.267 ( -11.058 -1.952 -3.931) 11.897 25.712 ( -4.338 -0.429 0.184) 4.363 26.020 ( -8.346 1.996 -7.587) 11.455 26.900 ( 6.614 2.632 10.377) 12.584 27.471 ( 15.234 -0.331 5.734) 16.281 27.890 ( 3.176 0.401 -3.090) 4.449 28.049 ( -1.678 4.215 -1.094) 4.667 29.549 ( 7.131 5.991 -1.577) 9.446 31.954 ( -14.302 -11.182 -0.889) 18.177 ======================= Grid point 27 (20/126) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( 38.236 -12.002 -21.576) 45.514 4.905 ( 8.373 -9.119 -0.721) 12.401 5.087 ( 2.606 0.295 3.691) 4.528 5.384 ( 4.945 -0.387 6.474) 8.156 5.545 ( 6.903 -8.548 10.727) 15.356 5.839 ( 6.828 0.617 15.213) 16.686 6.717 ( -3.899 31.175 2.710) 31.535 7.010 ( -0.705 4.708 -19.060) 19.645 7.477 ( -3.303 -7.669 -2.136) 8.619 7.686 ( 4.449 -16.959 -12.137) 21.324 7.771 ( -0.243 -4.458 -8.716) 9.793 8.621 ( -4.712 6.847 -1.599) 8.464 8.699 ( 9.067 -11.724 -2.009) 14.957 9.407 ( 5.796 -6.212 -1.662) 8.657 9.830 ( -11.979 6.591 -4.180) 14.297 10.027 ( -11.870 2.081 0.646) 12.068 10.172 ( -0.599 3.345 1.907) 3.896 10.618 ( -3.583 1.558 4.902) 6.269 10.984 ( -5.878 1.460 -3.655) 7.075 11.245 ( 4.602 13.897 -0.130) 14.639 13.058 ( -3.914 2.417 -18.600) 19.160 13.613 ( -5.104 -8.707 7.626) 12.650 13.912 ( 10.688 2.750 5.291) 12.239 14.489 ( 3.306 1.999 -9.430) 10.191 14.995 ( -6.109 2.666 15.911) 17.251 15.225 ( 1.392 -3.509 12.240) 12.809 18.134 ( 3.922 -2.455 -6.348) 7.855 19.130 ( -12.267 -0.412 -11.818) 17.038 25.701 ( -3.166 -0.596 -0.703) 3.298 26.030 ( -10.005 7.395 0.154) 12.442 27.109 ( 8.001 -0.149 14.664) 16.706 27.523 ( 15.570 -5.096 5.239) 17.200 27.871 ( 3.852 0.991 0.473) 4.005 28.091 ( -1.982 4.071 -0.702) 4.583 29.640 ( 7.384 5.345 2.817) 9.540 31.756 ( -15.357 -7.224 -8.551) 19.004 ======================= Grid point 28 (21/126) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 40.738 -15.480 -20.974) 48.364 4.375 ( 14.828 -23.045 -24.484) 36.748 5.220 ( 5.073 -18.458 2.752) 19.339 5.424 ( -0.091 5.426 13.390) 14.448 5.757 ( 9.564 -0.279 17.602) 20.034 6.021 ( 6.404 -7.196 12.022) 15.405 6.493 ( 8.553 -24.500 -30.172) 39.797 6.857 ( -3.071 -10.508 0.489) 10.959 7.200 ( -1.454 -5.109 -16.988) 17.799 7.472 ( 3.925 0.822 -10.995) 11.704 7.758 ( -14.158 12.179 4.969) 19.325 8.417 ( 1.028 -12.173 -10.136) 15.873 8.713 ( 6.872 2.464 6.272) 9.625 9.328 ( 5.919 3.309 -3.712) 7.731 9.938 ( -14.292 8.011 1.643) 16.466 10.092 ( -2.702 9.570 -2.292) 10.204 10.333 ( -8.937 9.724 5.304) 14.232 10.715 ( -4.094 3.482 3.919) 6.652 10.947 ( -5.101 2.336 -3.090) 6.405 11.497 ( 1.992 23.914 -6.754) 24.930 12.798 ( 2.300 2.927 -18.551) 18.921 13.588 ( -4.486 -14.804 11.470) 19.257 13.975 ( 9.401 -12.662 8.490) 17.910 14.491 ( 3.024 17.392 -5.654) 18.537 15.310 ( -3.919 0.314 17.336) 17.776 15.343 ( -5.541 0.400 11.060) 12.377 17.983 ( 3.498 -1.822 -9.407) 10.201 18.903 ( -11.815 0.598 -18.035) 21.569 25.683 ( -1.637 -0.221 -0.819) 1.843 26.201 ( -10.333 10.651 5.049) 15.675 27.315 ( 9.961 -0.775 10.303) 14.352 27.513 ( 10.191 -7.512 8.923) 15.489 27.937 ( 7.236 -3.689 9.436) 12.450 28.152 ( -1.445 4.819 1.628) 5.288 29.766 ( 6.953 4.409 4.491) 9.378 31.493 ( -16.224 -2.396 -17.480) 23.969 ======================= Grid point 29 (22/126) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 44.406 -19.639 -15.871) 51.083 3.614 ( 24.101 -28.877 -27.195) 46.415 4.931 ( 9.392 -22.467 -1.496) 24.397 5.205 ( 7.805 -46.911 -36.333) 59.847 5.737 ( -4.431 2.115 13.820) 14.667 6.154 ( 8.493 -6.862 19.618) 22.452 6.174 ( 15.820 -2.344 9.567) 18.635 6.636 ( -1.497 -13.838 -4.961) 14.777 6.968 ( -0.155 -7.795 -4.398) 8.951 7.277 ( 1.251 -2.285 -9.473) 9.824 7.928 ( -7.248 4.682 -4.010) 9.515 8.104 ( -6.451 -5.587 -12.097) 14.804 8.920 ( 7.633 0.868 17.000) 18.655 9.442 ( 5.219 18.683 -0.629) 19.408 10.035 ( -15.883 2.867 0.923) 16.166 10.230 ( -2.013 13.944 -1.154) 14.136 10.510 ( -13.091 7.791 -0.601) 15.246 10.861 ( -4.235 9.092 4.524) 11.003 10.972 ( -5.823 6.434 -1.325) 8.778 11.590 ( -3.068 23.879 -24.869) 34.614 12.623 ( 12.034 4.186 -10.447) 16.477 13.597 ( -0.406 -17.842 19.827) 26.676 13.823 ( 6.161 -21.216 4.093) 22.469 14.736 ( 2.163 25.210 -4.120) 25.636 15.377 ( -11.754 -3.962 4.382) 13.155 15.709 ( -3.719 6.280 20.772) 22.017 17.808 ( 2.497 -1.508 -10.338) 10.741 18.610 ( -9.512 0.718 -20.953) 23.022 25.670 ( 0.108 -0.026 -0.775) 0.783 26.448 ( -10.499 11.636 6.419) 16.935 27.322 ( 5.777 -2.367 -2.238) 6.632 27.690 ( 12.335 -1.919 18.290) 22.144 28.013 ( 4.340 -8.798 11.927) 15.443 28.314 ( 2.723 -0.092 16.483) 16.706 29.884 ( 6.550 4.096 3.077) 8.315 31.146 ( -17.199 2.171 -28.792) 33.608 ======================= Grid point 30 (23/126) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 40.365 -27.719 -5.647) 49.291 2.824 ( 42.992 -27.185 -22.204) 55.501 3.885 ( 15.714 -62.797 -31.352) 71.926 4.611 ( 13.202 -20.835 -1.752) 24.728 5.976 ( -2.259 0.266 13.570) 13.759 6.114 ( 10.398 -10.669 3.879) 15.395 6.349 ( 2.977 -7.777 -7.302) 11.075 6.487 ( 6.709 -0.019 12.943) 14.578 6.829 ( 3.684 -12.226 4.066) 13.401 7.154 ( -0.892 -0.075 -4.622) 4.708 7.755 ( 3.199 -6.445 -8.455) 11.102 7.979 ( -10.671 4.354 -7.850) 13.944 9.244 ( 3.986 -0.623 26.674) 26.977 9.750 ( 1.692 22.078 -0.734) 22.155 10.061 ( -17.167 2.139 -1.447) 17.361 10.386 ( -0.750 9.295 -2.282) 9.600 10.530 ( -13.381 4.998 -5.632) 15.355 11.047 ( -4.589 9.026 1.611) 10.253 11.103 ( -8.967 11.764 2.008) 14.927 11.476 ( -9.309 21.147 -26.207) 34.938 12.572 ( 17.768 2.754 -3.925) 18.404 13.528 ( 14.306 -22.154 0.584) 26.378 13.698 ( -4.148 -16.440 19.000) 25.465 14.996 ( 0.667 26.680 -9.413) 28.299 15.365 ( -17.503 -3.516 1.842) 17.948 16.092 ( -3.349 5.748 16.967) 18.225 17.634 ( 2.388 -2.716 -8.482) 9.220 18.321 ( -5.684 0.667 -16.644) 17.601 25.657 ( 0.997 -0.229 -0.701) 1.240 26.693 ( -10.540 11.458 4.307) 16.154 27.260 ( 2.085 -1.839 -1.454) 3.137 27.847 ( 11.852 -2.434 3.284) 12.537 28.138 ( -1.666 0.237 12.996) 13.105 28.697 ( 9.813 -11.925 47.817) 50.249 29.963 ( 8.044 6.349 -2.481) 10.544 30.641 ( -19.042 2.686 -43.844) 47.876 ======================= Grid point 31 (24/126) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 33.990 -33.990 -0.000) 48.069 2.284 ( 40.183 -40.183 -0.000) 56.827 2.739 ( 47.873 -47.873 -0.000) 67.702 4.340 ( 15.830 -15.830 -0.000) 22.387 6.005 ( 9.138 -9.138 -0.000) 12.923 6.050 ( 10.539 -10.539 -0.000) 14.905 6.225 ( -6.154 6.154 0.000) 8.702 6.577 ( 3.230 -3.230 -0.000) 4.568 6.731 ( 8.157 -8.157 -0.000) 11.536 7.124 ( -0.357 0.357 0.000) 0.505 7.618 ( 3.839 -3.839 -0.000) 5.430 7.973 ( -5.415 5.415 0.000) 7.658 9.684 ( -4.606 4.606 0.000) 6.514 9.795 ( -5.210 5.210 0.000) 7.368 10.135 ( -9.628 9.628 0.000) 13.616 10.376 ( -0.782 0.782 0.000) 1.106 10.590 ( -8.979 8.979 0.000) 12.698 11.179 ( -7.361 7.361 0.000) 10.409 11.272 ( -9.166 9.166 0.000) 12.962 11.509 ( -15.281 15.281 0.000) 21.610 12.522 ( 7.798 -7.798 -0.000) 11.028 13.244 ( 16.932 -16.932 -0.000) 23.946 13.690 ( 7.088 -7.088 -0.000) 10.023 15.190 ( -12.905 12.905 0.000) 18.251 15.388 ( -6.605 6.605 0.000) 9.341 16.304 ( -3.470 3.470 0.000) 4.908 17.505 ( 4.150 -4.150 -0.000) 5.869 18.195 ( -1.901 1.901 0.000) 2.688 25.645 ( 0.526 -0.526 -0.000) 0.744 26.879 ( -10.497 10.497 0.000) 14.845 27.232 ( 0.693 -0.693 -0.000) 0.980 27.792 ( 6.912 -6.912 -0.000) 9.775 28.289 ( -4.476 4.476 0.000) 6.329 29.280 ( 9.673 -9.673 -0.000) 13.680 29.992 ( -8.208 8.208 0.000) 11.608 30.024 ( 1.918 -1.918 -0.000) 2.712 ======================= Grid point 36 (25/126) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( 5.584 5.584 19.504) 21.042 5.007 ( 18.569 18.569 -3.871) 26.544 5.080 ( 16.485 16.485 22.241) 32.221 5.144 ( 8.353 8.353 -17.254) 20.910 5.522 ( 0.273 0.273 15.979) 15.983 5.530 ( 2.763 2.763 -1.499) 4.185 5.902 ( 7.258 7.258 2.145) 10.486 7.091 ( 6.786 6.786 -18.418) 20.768 7.801 ( 7.056 7.056 6.842) 12.099 7.862 ( -9.619 -9.619 -0.034) 13.604 8.039 ( -0.227 -0.227 6.925) 6.932 8.256 ( 4.503 4.503 2.732) 6.929 8.888 ( 2.398 2.398 4.299) 5.475 9.688 ( -4.386 -4.386 1.678) 6.426 9.794 ( -5.044 -5.044 1.393) 7.268 9.941 ( -10.804 -10.804 -16.187) 22.259 10.336 ( -5.646 -5.646 -6.340) 10.196 10.480 ( -0.707 -0.707 2.721) 2.899 10.890 ( -1.735 -1.735 -3.716) 4.453 11.331 ( -1.327 -1.327 -14.295) 14.418 13.198 ( -3.215 -3.215 -9.237) 10.295 13.579 ( -3.111 -3.111 6.385) 7.754 13.837 ( 8.456 8.456 4.386) 12.738 14.666 ( -2.244 -2.244 -4.100) 5.184 14.770 ( -0.069 -0.069 -2.978) 2.980 15.105 ( 1.578 1.578 12.224) 12.426 18.288 ( 0.332 0.332 -2.352) 2.399 19.194 ( -7.909 -7.909 -3.379) 11.684 25.682 ( -2.200 -2.200 1.113) 3.304 25.948 ( -3.744 -3.744 -8.495) 10.009 26.927 ( 6.219 6.219 9.871) 13.221 27.589 ( 6.904 6.904 7.847) 12.526 27.944 ( 3.569 3.569 -6.420) 8.166 27.967 ( 0.430 0.430 0.074) 0.612 29.558 ( 7.898 7.898 -2.497) 11.445 31.931 ( -15.221 -15.221 -0.161) 21.526 ======================= Grid point 37 (26/126) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( 23.269 -11.448 -12.530) 28.801 5.002 ( 0.229 6.934 1.853) 7.181 5.218 ( 17.474 -4.061 -4.075) 18.397 5.407 ( 7.963 9.626 6.996) 14.318 5.766 ( 5.173 -6.013 17.897) 19.576 5.888 ( 7.618 9.894 17.952) 21.868 6.149 ( -1.253 32.150 5.129) 32.581 6.904 ( 1.456 8.050 -18.814) 20.516 7.588 ( -9.169 -17.109 -4.354) 19.894 7.756 ( -1.707 1.092 -18.288) 18.400 8.048 ( 14.286 -11.390 -2.759) 18.478 8.388 ( -9.799 11.504 -2.496) 15.317 8.947 ( 8.753 -3.522 3.803) 10.172 9.583 ( -1.626 -9.345 -3.709) 10.184 9.623 ( -8.798 -2.695 -6.457) 11.241 9.814 ( -13.877 -1.171 2.907) 14.226 10.210 ( 3.039 -2.221 -2.074) 4.298 10.512 ( -6.837 1.177 0.434) 6.951 10.900 ( 1.349 5.111 0.942) 5.370 11.175 ( 1.702 3.512 -7.480) 8.437 12.987 ( -2.082 0.999 -15.415) 15.587 13.630 ( -8.147 -8.227 10.077) 15.349 13.974 ( 15.226 13.674 -3.728) 20.802 14.599 ( 4.027 -7.624 2.043) 8.861 14.844 ( -8.696 3.065 10.691) 14.117 15.276 ( -0.832 -2.939 10.442) 10.880 18.218 ( 3.706 -0.648 -6.446) 7.464 18.990 ( -11.843 -5.255 -11.089) 17.054 25.687 ( -1.157 -1.566 2.103) 2.866 25.850 ( -6.134 1.740 -1.683) 6.594 27.184 ( 8.025 5.221 13.165) 16.278 27.767 ( 11.480 -2.211 6.346) 13.303 27.902 ( 4.119 2.959 0.893) 5.150 27.988 ( -2.558 5.547 -3.130) 6.864 29.662 ( 9.158 8.196 1.096) 12.338 31.674 ( -17.547 -14.301 -6.670) 23.599 ======================= Grid point 38 (27/126) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.213 ( 33.338 -16.502 -12.988) 39.400 4.843 ( 13.632 -11.555 -18.388) 25.641 5.253 ( 0.217 6.930 7.910) 10.519 5.564 ( 5.709 -8.062 5.083) 11.110 5.935 ( 15.203 -2.123 18.564) 24.088 6.181 ( 6.451 -2.540 16.615) 18.004 6.701 ( -6.242 -0.758 -10.737) 12.443 6.735 ( 2.283 25.824 -1.460) 25.966 7.288 ( 5.165 -0.747 -27.350) 27.843 7.386 ( -15.352 -13.810 -1.381) 20.696 7.756 ( 8.017 -11.013 -9.979) 16.886 8.398 ( -11.001 3.035 -12.307) 16.783 8.912 ( 13.733 -8.180 7.551) 17.678 9.433 ( 3.005 -6.199 -2.713) 7.404 9.627 ( -12.820 7.285 0.687) 14.761 9.863 ( -13.800 5.370 1.244) 14.861 10.199 ( 1.537 2.812 -0.561) 3.253 10.539 ( -10.928 4.919 -1.903) 12.134 10.930 ( 3.625 -0.074 -2.659) 4.496 11.228 ( 0.435 17.157 -7.807) 18.855 12.798 ( 4.178 3.746 -12.107) 13.344 13.655 ( -8.411 -9.304 9.751) 15.887 14.158 ( 13.339 13.440 3.165) 19.199 14.504 ( 7.330 -12.229 3.421) 14.662 15.132 ( -9.845 7.462 16.335) 20.481 15.329 ( -6.917 -6.581 5.112) 10.830 18.078 ( 5.140 -2.355 -9.012) 10.639 18.729 ( -13.074 -1.462 -16.714) 21.270 25.689 ( 0.676 -1.994 1.787) 2.762 25.947 ( -8.064 7.544 4.689) 11.997 27.439 ( 9.875 3.128 9.790) 14.253 27.716 ( 8.462 -4.122 0.640) 9.434 28.027 ( -1.491 5.454 -0.830) 5.715 28.095 ( 6.863 0.971 15.404) 16.891 29.797 ( 9.074 7.252 2.214) 11.826 31.340 ( -19.412 -11.404 -13.996) 26.510 ======================= Grid point 39 (28/126) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 34.357 -21.997 -9.170) 41.813 4.322 ( 29.808 -18.016 -21.331) 40.842 5.344 ( 7.184 -16.176 2.241) 17.841 5.528 ( -2.002 3.294 3.574) 5.257 5.958 ( 8.146 -31.368 -14.735) 35.601 6.292 ( 8.297 0.806 18.501) 20.293 6.474 ( 12.246 -5.931 4.815) 14.434 6.767 ( -2.775 -9.006 -7.095) 11.796 7.045 ( 3.074 0.660 -1.739) 3.593 7.320 ( -1.279 -0.961 -11.072) 11.187 7.615 ( -11.289 8.224 -0.030) 13.967 8.138 ( -6.364 -3.607 -17.426) 18.899 9.033 ( 9.675 -1.774 15.524) 18.378 9.365 ( 6.209 3.858 -1.510) 7.464 9.750 ( -16.747 5.108 2.098) 17.634 9.983 ( -8.932 11.783 -1.564) 14.868 10.268 ( -6.373 5.780 0.963) 8.657 10.611 ( -11.576 9.277 -0.495) 14.843 10.873 ( -0.215 2.866 -5.978) 6.633 11.249 ( -3.793 18.120 -23.318) 29.773 12.757 ( 16.620 5.529 -2.207) 17.654 13.708 ( -9.435 -10.909 16.551) 21.954 14.291 ( 16.501 -19.017 8.511) 26.577 14.465 ( 4.105 18.092 -4.871) 19.181 15.261 ( -15.672 -7.507 -0.429) 17.382 15.518 ( -8.482 9.591 18.087) 22.160 17.896 ( 4.510 -3.607 -8.904) 10.613 18.456 ( -10.526 1.267 -18.596) 21.406 25.692 ( 1.961 -1.532 1.684) 3.005 26.160 ( -9.249 9.971 6.576) 15.107 27.450 ( 7.215 -3.162 -4.242) 8.947 27.823 ( 7.397 3.490 9.938) 12.871 28.090 ( 3.855 1.807 1.857) 4.645 28.401 ( 5.291 -1.853 27.047) 27.622 29.916 ( 8.138 6.234 0.812) 10.283 30.932 ( -19.865 -8.093 -22.508) 31.092 ======================= Grid point 40 (29/126) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 28.536 -29.431 -4.987) 41.296 3.776 ( 46.421 -19.224 -14.240) 52.223 4.905 ( 18.578 -49.142 -21.254) 56.672 5.096 ( 14.313 -21.419 -1.173) 25.788 5.832 ( -8.259 5.911 8.532) 13.265 6.427 ( 12.681 -10.813 2.449) 16.844 6.558 ( 5.221 -9.231 -3.720) 11.238 6.584 ( 5.317 -1.463 15.724) 16.663 7.040 ( 6.235 -7.777 5.914) 11.590 7.128 ( -2.492 0.624 -8.894) 9.257 7.729 ( -12.092 8.306 -3.451) 15.070 7.850 ( -0.970 -3.108 -12.650) 13.063 9.271 ( 3.421 2.353 15.179) 15.737 9.530 ( 4.449 14.053 4.230) 15.335 9.795 ( -17.890 0.564 -0.869) 17.920 10.153 ( -9.530 14.018 -0.517) 16.959 10.346 ( -6.182 2.848 1.255) 6.921 10.782 ( -11.593 13.169 1.512) 17.610 10.858 ( -5.632 7.633 -4.697) 10.585 11.067 ( -10.361 17.334 -28.339) 34.798 12.817 ( 22.632 2.339 0.526) 22.758 13.825 ( -7.720 -17.519 19.012) 26.981 14.089 ( 18.703 -19.993 6.587) 28.159 14.643 ( 2.243 25.108 -13.971) 28.821 15.153 ( -21.137 -4.806 -0.141) 21.677 15.911 ( -7.944 9.747 14.352) 19.082 17.728 ( 3.764 -4.185 -5.682) 7.998 18.221 ( -6.093 2.017 -14.178) 15.564 25.691 ( 2.455 -1.538 0.738) 2.989 26.393 ( -10.270 10.773 4.605) 15.579 27.340 ( 4.362 -3.528 -2.960) 6.343 28.007 ( 1.572 6.135 4.873) 7.991 28.106 ( 8.208 -4.003 1.711) 9.291 28.900 ( 4.968 -1.576 42.288) 42.608 29.980 ( 9.355 8.482 -6.867) 14.374 30.421 ( -19.471 -8.783 -29.387) 36.329 ======================= Grid point 41 (30/126) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 30.758 -30.758 -0.000) 43.498 3.341 ( 36.127 -36.127 -0.000) 51.091 4.005 ( 43.960 -43.960 -0.000) 62.169 4.818 ( 18.264 -18.264 -0.000) 25.829 6.017 ( -8.813 8.813 0.000) 12.464 6.288 ( 11.242 -11.242 -0.000) 15.898 6.366 ( 11.798 -11.798 -0.000) 16.685 6.678 ( 3.839 -3.839 -0.000) 5.429 6.978 ( 9.175 -9.175 -0.000) 12.976 7.088 ( -2.491 2.491 0.000) 3.522 7.712 ( 2.430 -2.430 -0.000) 3.437 7.791 ( -7.753 7.753 0.000) 10.964 9.529 ( -6.234 6.234 0.000) 8.816 9.671 ( -3.239 3.239 0.000) 4.581 9.843 ( -10.841 10.841 0.000) 15.331 10.313 ( -11.173 11.173 0.000) 15.800 10.370 ( 0.393 -0.393 -0.000) 0.556 10.946 ( -9.001 9.001 0.000) 12.730 10.975 ( -12.146 12.146 0.000) 17.177 11.055 ( -17.519 17.519 0.000) 24.775 12.776 ( 10.541 -10.541 -0.000) 14.908 13.690 ( 14.354 -14.354 -0.000) 20.300 13.972 ( 14.253 -14.253 -0.000) 20.157 14.793 ( -15.675 15.675 0.000) 22.168 15.179 ( -8.525 8.525 0.000) 12.057 16.155 ( -7.545 7.545 0.000) 10.671 17.622 ( 4.301 -4.301 -0.000) 6.083 18.131 ( -2.689 2.689 0.000) 3.802 25.673 ( 1.642 -1.642 -0.000) 2.323 26.579 ( -10.933 10.933 0.000) 15.462 27.276 ( 2.595 -2.595 -0.000) 3.670 28.018 ( 9.473 -9.473 -0.000) 13.397 28.140 ( -6.311 6.311 0.000) 8.926 29.549 ( 9.523 -9.523 -0.000) 13.467 29.724 ( -11.186 11.186 0.000) 15.820 30.074 ( 1.522 -1.522 -0.000) 2.153 ======================= Grid point 48 (31/126) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.716 ( 2.489 2.489 -5.617) 6.629 4.826 ( -0.981 -0.981 -8.098) 8.216 5.331 ( 9.324 9.324 -7.360) 15.101 5.613 ( 5.982 5.982 5.302) 9.984 6.187 ( 5.676 5.676 8.098) 11.402 6.254 ( 3.133 3.133 23.093) 23.515 6.349 ( 11.191 11.191 19.651) 25.232 6.661 ( 5.371 5.371 -17.841) 19.391 7.359 ( -14.401 -14.401 -2.476) 20.517 7.367 ( 2.368 2.368 -31.528) 31.706 8.035 ( -4.547 -4.547 -12.524) 14.079 8.173 ( -2.455 -2.455 -9.150) 9.786 9.161 ( 4.666 4.666 8.185) 10.514 9.354 ( -2.720 -2.720 -4.074) 5.603 9.587 ( -5.850 -5.850 1.281) 8.372 9.690 ( -8.024 -8.024 1.417) 11.436 10.221 ( 1.847 1.847 -2.378) 3.532 10.385 ( -2.767 -2.767 -4.975) 6.330 11.002 ( 5.996 5.996 0.062) 8.479 11.067 ( 3.585 3.585 -11.097) 12.200 12.803 ( 4.590 4.590 -8.647) 10.813 13.653 ( -6.677 -6.677 6.438) 11.428 14.137 ( 12.856 12.856 0.906) 18.203 14.783 ( -0.401 -0.401 12.232) 12.245 14.895 ( -4.301 -4.301 12.272) 13.697 15.326 ( -7.678 -7.678 3.310) 11.352 18.143 ( 2.550 2.550 -9.221) 9.901 18.635 ( -8.647 -8.647 -15.899) 20.058 25.746 ( 0.001 0.001 5.034) 5.034 25.799 ( -0.856 -0.856 2.255) 2.559 27.487 ( 7.199 7.199 10.691) 14.763 27.851 ( 0.213 0.213 -5.933) 5.941 27.917 ( 4.547 4.547 1.431) 6.588 28.149 ( 4.332 4.332 16.668) 17.758 29.811 ( 9.215 9.215 1.143) 13.082 31.284 ( -17.800 -17.800 -12.300) 28.017 ======================= Grid point 50 (32/126) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.440 ( 19.363 -19.014 -6.930) 28.009 4.747 ( 3.343 0.576 -11.682) 12.165 5.391 ( 12.176 7.208 1.706) 14.252 5.672 ( 2.435 -6.201 1.694) 6.874 6.366 ( 8.048 1.959 12.169) 14.721 6.411 ( 9.544 -11.219 -9.992) 17.799 6.534 ( -1.275 1.868 6.693) 7.065 6.833 ( -0.510 11.299 9.427) 14.724 6.965 ( 5.961 4.995 -19.151) 20.670 7.204 ( -13.794 -5.925 3.192) 15.348 7.679 ( 6.616 -13.324 -12.512) 19.438 7.991 ( -13.937 3.234 -16.628) 21.936 9.243 ( 12.270 -5.365 10.659) 17.115 9.439 ( -1.324 1.436 3.384) 3.907 9.510 ( -5.847 -2.231 1.494) 6.434 9.688 ( -13.742 5.475 0.690) 14.808 10.191 ( 1.285 0.797 -2.392) 2.829 10.343 ( -9.263 6.245 -3.677) 11.761 10.877 ( 3.993 0.610 -13.577) 14.165 11.009 ( -2.454 9.836 -18.124) 20.767 12.893 ( 16.045 9.364 6.477) 19.674 13.673 ( -5.778 -1.837 5.531) 8.207 14.338 ( 5.422 8.608 4.308) 11.048 14.786 ( 15.130 -18.308 10.510) 25.973 15.175 ( -15.597 -11.825 -4.410) 20.064 15.210 ( -13.711 12.699 14.605) 23.718 18.008 ( 5.118 -1.487 -9.324) 10.740 18.309 ( -9.715 -1.791 -16.419) 19.162 25.773 ( 4.589 -3.844 4.069) 7.238 25.930 ( -6.687 7.414 5.692) 11.493 27.595 ( 7.940 -1.571 -3.043) 8.648 27.785 ( -1.895 4.871 -3.090) 6.072 28.139 ( 9.932 6.438 14.291) 18.556 28.461 ( 3.261 1.593 19.755) 20.086 29.934 ( 8.279 7.596 -0.468) 11.245 30.824 ( -19.539 -15.627 -17.684) 30.639 ======================= Grid point 51 (33/126) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 21.013 -24.686 -5.497) 32.881 4.507 ( 23.639 -9.774 -9.229) 27.194 5.487 ( 11.024 -7.940 1.655) 13.686 5.567 ( 9.479 -1.374 -2.217) 9.832 5.879 ( 9.183 -32.745 -9.356) 35.272 6.589 ( 2.906 5.655 5.875) 8.656 6.647 ( -1.848 -0.421 7.543) 7.778 6.782 ( 11.624 -10.805 4.379) 16.464 7.026 ( -5.852 7.402 -9.424) 13.336 7.227 ( 2.768 -6.410 4.921) 8.542 7.462 ( -6.966 5.117 -3.407) 9.291 7.795 ( -7.457 2.927 -13.153) 15.401 9.321 ( 5.634 -2.485 4.914) 7.878 9.507 ( 4.956 0.808 9.519) 10.762 9.591 ( -8.564 1.173 4.095) 9.565 9.810 ( -12.729 11.807 -0.878) 17.384 10.220 ( -4.637 4.336 3.425) 7.213 10.441 ( -11.724 11.835 -0.231) 16.661 10.709 ( -2.580 5.595 -12.864) 14.263 10.771 ( -6.313 7.205 -25.448) 27.191 13.117 ( 25.198 2.719 6.554) 26.178 13.837 ( -9.154 1.517 17.745) 20.025 14.408 ( 4.440 3.421 -10.228) 11.664 14.667 ( 18.339 -16.208 6.772) 25.395 14.934 ( -21.769 -7.905 -5.155) 23.727 15.603 ( -13.009 13.917 11.423) 22.213 17.843 ( 4.327 -4.281 -5.905) 8.481 18.103 ( -6.164 2.645 -11.447) 13.267 25.772 ( 4.524 -3.557 2.269) 6.186 26.126 ( -8.452 9.107 4.357) 13.167 27.476 ( 6.590 -5.064 -3.649) 9.077 27.849 ( -5.606 8.136 -1.561) 10.003 28.359 ( 16.170 -3.804 8.777) 18.788 28.873 ( -1.058 8.393 27.081) 28.372 29.994 ( 7.178 5.841 -5.015) 10.526 30.330 ( -17.062 -13.622 -19.463) 29.248 ======================= Grid point 52 (34/126) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 26.070 -26.070 -0.000) 36.868 4.212 ( 25.434 -25.434 -0.000) 35.970 5.135 ( 37.864 -37.864 -0.000) 53.548 5.301 ( 16.051 -16.051 -0.000) 22.699 5.768 ( -8.226 8.226 0.000) 11.634 6.597 ( 10.011 -10.011 -0.000) 14.157 6.646 ( 7.028 -7.028 -0.000) 9.939 6.771 ( 3.384 -3.384 -0.000) 4.786 6.976 ( -5.712 5.712 0.000) 8.077 7.198 ( 6.472 -6.472 -0.000) 9.153 7.555 ( -9.258 9.258 0.000) 13.092 7.720 ( -2.205 2.205 0.000) 3.119 9.385 ( -3.240 3.240 0.000) 4.582 9.599 ( -5.599 5.599 0.000) 7.918 9.645 ( 1.502 -1.502 -0.000) 2.124 9.978 ( -12.982 12.982 0.000) 18.359 10.398 ( 1.562 -1.562 -0.000) 2.209 10.568 ( -17.245 17.245 0.000) 24.388 10.623 ( -13.124 13.124 0.000) 18.560 10.717 ( -7.228 7.228 0.000) 10.222 13.096 ( 12.734 -12.734 -0.000) 18.008 14.030 ( 11.313 -11.313 -0.000) 15.998 14.346 ( -16.549 16.549 0.000) 23.404 14.454 ( 19.506 -19.506 -0.000) 27.585 14.925 ( -9.896 9.896 0.000) 13.995 15.883 ( -12.243 12.243 0.000) 17.314 17.738 ( 4.117 -4.117 -0.000) 5.823 18.049 ( -3.281 3.281 0.000) 4.640 25.741 ( 3.395 -3.395 -0.000) 4.801 26.292 ( -9.805 9.805 0.000) 13.866 27.378 ( 4.829 -4.829 -0.000) 6.829 27.948 ( -7.484 7.484 0.000) 10.584 28.309 ( 11.607 -11.607 -0.000) 16.415 29.388 ( -13.022 13.022 0.000) 18.416 29.788 ( 7.718 -7.718 -0.000) 10.914 30.097 ( 0.025 -0.025 -0.000) 0.036 ======================= Grid point 61 (35/126) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.538 ( -0.968 -0.968 -6.206) 6.355 4.540 ( -0.796 -0.796 -6.025) 6.129 5.598 ( 7.110 7.110 3.602) 10.681 5.689 ( -0.465 -0.465 -0.761) 1.006 6.360 ( 4.794 4.794 -4.679) 8.237 6.478 ( 1.456 1.456 -11.940) 12.116 6.627 ( 2.769 2.769 10.048) 10.784 6.817 ( -5.897 -5.897 0.272) 8.343 7.049 ( 2.185 2.185 8.356) 8.909 7.135 ( -4.097 -4.097 4.663) 7.437 7.584 ( -1.787 -1.787 -9.669) 9.994 7.590 ( -2.406 -2.406 -12.370) 12.830 9.502 ( -1.847 -1.847 0.399) 2.642 9.505 ( -0.718 -0.718 2.108) 2.340 9.530 ( 2.341 2.341 10.739) 11.238 9.568 ( -1.352 -1.352 7.994) 8.220 10.185 ( 0.782 0.782 -1.306) 1.711 10.206 ( -0.774 -0.774 -2.558) 2.783 10.649 ( 1.778 1.778 -17.814) 17.991 10.688 ( -0.829 -0.829 -18.934) 18.971 13.342 ( 17.284 17.284 16.484) 29.482 13.671 ( -0.469 -0.469 1.379) 1.530 14.452 ( 1.160 1.160 4.100) 4.416 14.789 ( -17.249 -17.249 -11.859) 27.123 15.176 ( 0.299 0.299 8.840) 8.850 15.183 ( -0.351 -0.351 8.366) 8.381 17.939 ( 1.627 1.627 -6.226) 6.637 18.005 ( -3.164 -3.164 -10.326) 11.254 25.914 ( 0.545 0.545 3.688) 3.768 25.918 ( 0.326 0.326 3.414) 3.445 27.641 ( 1.977 1.977 -2.444) 3.714 27.669 ( 0.020 0.020 -4.294) 4.294 28.573 ( 10.207 10.207 18.246) 23.265 28.728 ( 0.926 0.926 12.263) 12.333 30.007 ( 4.896 4.896 -1.692) 7.128 30.309 ( -14.949 -14.949 -17.032) 27.148 ======================= Grid point 63 (36/126) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( 18.833 -18.833 -0.000) 26.633 4.579 ( -0.929 0.929 0.000) 1.314 5.634 ( 6.633 -6.633 -0.000) 9.381 5.662 ( 1.091 -1.091 -0.000) 1.543 6.053 ( 28.130 -28.130 -0.000) 39.782 6.615 ( -11.255 11.255 0.000) 15.917 6.709 ( 0.725 -0.725 -0.000) 1.026 6.799 ( -6.055 6.055 0.000) 8.563 6.990 ( 11.006 -11.006 -0.000) 15.565 7.286 ( -10.296 10.296 0.000) 14.560 7.376 ( 7.531 -7.531 -0.000) 10.650 7.589 ( -6.983 6.983 0.000) 9.876 9.399 ( 4.708 -4.708 -0.000) 6.658 9.587 ( 4.490 -4.490 -0.000) 6.349 9.631 ( -11.435 11.435 0.000) 16.172 9.703 ( -0.028 0.028 0.000) 0.040 10.194 ( -6.690 6.690 0.000) 9.462 10.288 ( -10.214 10.214 0.000) 14.444 10.456 ( 2.777 -2.777 -0.000) 3.927 10.556 ( -4.605 4.605 0.000) 6.512 13.473 ( 14.631 -14.631 -0.000) 20.692 13.896 ( -16.043 16.043 0.000) 22.688 14.337 ( 11.138 -11.138 -0.000) 15.752 14.639 ( -10.784 10.784 0.000) 15.252 14.993 ( 19.186 -19.186 -0.000) 27.133 15.487 ( -16.444 16.444 0.000) 23.256 17.848 ( 3.910 -3.910 -0.000) 5.530 17.953 ( -3.666 3.666 0.000) 5.185 25.863 ( 5.576 -5.576 -0.000) 7.886 26.048 ( -7.851 7.851 0.000) 11.104 27.538 ( 6.706 -6.706 -0.000) 9.484 27.738 ( -7.663 7.663 0.000) 10.837 28.650 ( 13.085 -13.085 -0.000) 18.505 29.019 ( -13.628 13.628 0.000) 19.273 29.965 ( 5.105 -5.105 -0.000) 7.219 30.067 ( -2.334 2.334 0.000) 3.301 ======================= Grid point 137 (37/126) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 26.906 26.906 26.004) 46.088 2.703 ( 34.674 34.674 24.607) 54.864 4.002 ( 29.867 29.867 64.275) 76.912 4.422 ( 14.061 14.061 5.542) 20.644 5.746 ( 1.884 1.884 -12.494) 12.775 5.879 ( 9.227 9.227 -8.483) 15.564 6.224 ( 6.465 6.465 -13.896) 16.633 6.237 ( 3.717 3.717 -16.300) 17.127 6.772 ( 3.994 3.994 13.941) 15.042 7.239 ( 0.733 0.733 7.023) 7.099 7.789 ( 7.353 7.353 7.419) 12.774 8.190 ( -6.914 -6.914 9.036) 13.314 8.839 ( 7.154 7.154 -14.488) 17.670 10.034 ( -9.705 -9.705 -0.352) 13.729 10.060 ( -9.507 -9.507 -4.508) 14.180 10.609 ( -8.327 -8.327 6.421) 13.412 10.683 ( -9.283 -9.283 2.908) 13.447 11.052 ( -3.535 -3.535 -9.677) 10.892 11.188 ( -7.693 -7.693 -4.497) 11.772 12.135 ( -13.673 -13.673 25.622) 32.100 12.670 ( 4.202 4.202 11.710) 13.131 13.109 ( 16.709 16.709 -17.687) 29.517 13.429 ( 1.507 1.507 -0.190) 2.140 15.209 ( -5.236 -5.236 -10.571) 12.906 15.401 ( -6.279 -6.279 -0.154) 8.881 15.817 ( -1.690 -1.690 -24.030) 24.149 17.866 ( -5.760 -5.760 17.985) 19.744 18.654 ( -3.446 -3.446 22.071) 22.603 25.677 ( -0.571 -0.571 1.861) 2.029 26.764 ( -10.705 -10.705 -6.151) 16.341 27.253 ( 2.629 2.629 0.990) 3.847 27.310 ( 24.992 24.992 -46.800) 58.647 27.782 ( 4.770 4.770 0.196) 6.749 28.307 ( 0.981 0.981 -7.976) 8.096 29.897 ( 2.895 2.895 -7.945) 8.938 31.483 ( -19.310 -19.310 35.464) 44.760 ======================= Grid point 138 (38/126) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 33.801 15.627 28.373) 46.816 3.597 ( 21.747 34.628 27.801) 49.446 4.718 ( 10.322 15.844 5.575) 19.715 5.299 ( 10.921 28.027 39.650) 49.768 5.571 ( -1.811 -1.899 -10.009) 10.348 5.825 ( 7.166 5.965 -9.955) 13.639 5.997 ( 19.836 4.478 -8.907) 22.200 6.319 ( -1.475 23.039 -4.662) 23.552 7.067 ( 0.727 4.356 15.139) 15.770 7.394 ( 3.610 2.777 10.595) 11.532 8.017 ( 7.717 8.163 6.881) 13.173 8.190 ( -12.584 -6.591 2.529) 14.429 8.756 ( 4.277 0.984 -4.509) 6.292 9.715 ( 4.018 -20.596 -2.112) 21.090 10.022 ( -17.472 0.625 -2.472) 17.657 10.469 ( -2.000 -15.978 1.455) 16.169 10.616 ( -13.460 -7.389 -1.386) 15.417 10.812 ( -1.798 -4.343 -13.162) 13.976 11.051 ( -7.451 -5.114 -0.999) 9.092 12.150 ( -5.596 -20.300 2.795) 21.242 12.883 ( 4.539 -2.737 17.217) 18.015 13.141 ( 2.511 16.239 -2.892) 16.685 13.550 ( 4.245 11.961 -0.783) 12.716 14.965 ( -0.484 -9.288 -6.721) 11.475 15.272 ( -1.770 -2.322 -9.259) 9.709 15.437 ( -3.451 -1.906 -21.752) 22.106 18.024 ( -0.964 -5.375 13.384) 14.455 18.932 ( -8.382 -1.944 18.487) 20.391 25.690 ( -2.227 -0.836 1.263) 2.694 26.514 ( -12.358 -12.048 -6.039) 18.285 27.054 ( 17.693 20.547 -29.784) 40.278 27.320 ( 7.108 3.761 1.563) 8.192 27.838 ( 4.320 2.711 0.339) 5.111 28.209 ( 0.197 0.603 -6.163) 6.196 29.803 ( 5.823 2.417 -8.860) 10.874 31.677 ( -16.329 -14.766 22.300) 31.336 ======================= Grid point 139 (39/126) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( 34.054 11.795 27.700) 45.454 4.419 ( 13.777 24.378 24.165) 36.988 4.981 ( 8.044 12.527 0.208) 14.889 5.324 ( 5.530 -6.245 -9.526) 12.662 5.525 ( 3.181 1.566 -9.689) 10.318 5.789 ( 9.445 3.830 -9.707) 14.075 6.339 ( -3.079 34.266 -3.617) 34.594 6.876 ( 10.732 16.394 36.485) 41.413 7.316 ( -1.516 6.080 9.253) 11.175 7.624 ( 9.295 4.816 10.893) 15.107 7.950 ( -13.356 -19.928 -2.441) 24.114 8.306 ( 6.076 14.706 3.266) 16.243 8.734 ( 0.280 -1.713 2.154) 2.767 9.477 ( 6.045 -11.690 0.810) 13.185 9.982 ( -15.716 -2.031 -1.658) 15.933 10.266 ( -4.831 -13.553 -1.441) 14.460 10.383 ( -6.081 -11.863 -7.959) 15.526 10.627 ( -2.195 0.541 -8.010) 8.323 11.007 ( -8.484 -1.767 0.890) 8.712 11.753 ( 0.595 -19.059 -13.963) 23.633 13.128 ( -3.179 -2.368 16.931) 17.389 13.373 ( -1.944 7.766 8.718) 11.836 13.678 ( 5.776 12.298 -4.732) 14.387 14.789 ( 3.337 -11.168 3.121) 12.067 15.043 ( 0.126 -0.487 -17.574) 17.581 15.152 ( -2.270 0.957 -14.200) 14.412 18.132 ( 2.383 -3.174 8.525) 9.403 19.143 ( -11.478 -1.201 11.808) 16.511 25.697 ( -4.214 -0.400 0.813) 4.310 26.266 ( -13.330 -9.565 -6.057) 17.489 26.939 ( 14.028 13.009 -16.342) 25.161 27.390 ( 12.145 3.482 0.617) 12.650 27.872 ( 3.198 0.308 1.722) 3.645 28.140 ( -0.625 0.667 -4.113) 4.213 29.707 ( 8.313 1.733 -7.062) 11.045 31.776 ( -15.989 -9.176 12.821) 22.455 ======================= Grid point 140 (40/126) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( 37.725 8.124 21.796) 44.320 4.735 ( 7.793 -1.744 -12.915) 15.184 5.083 ( 5.409 9.537 10.121) 14.921 5.316 ( 4.451 3.099 4.356) 6.956 5.376 ( 2.683 -3.599 -8.069) 9.233 5.688 ( 9.357 0.420 -5.954) 11.099 6.724 ( -4.988 27.934 -2.828) 28.516 7.312 ( -0.611 -7.601 12.571) 14.703 7.449 ( 2.525 -4.991 -8.950) 10.554 7.768 ( -0.467 -1.847 15.023) 15.143 7.815 ( 7.047 3.216 3.033) 8.319 8.559 ( 2.409 13.199 3.346) 13.828 8.732 ( 0.414 -5.399 1.609) 5.649 9.405 ( 5.862 -2.460 1.153) 6.460 9.937 ( -14.418 -2.674 1.810) 14.776 10.036 ( -13.720 -6.592 -7.093) 16.793 10.204 ( 1.777 -4.495 -1.034) 4.943 10.545 ( -2.692 0.416 -3.730) 4.619 11.023 ( -7.650 1.415 1.181) 7.869 11.343 ( 3.568 -10.227 -8.971) 14.064 13.273 ( -6.846 -0.725 4.869) 8.432 13.567 ( -7.237 0.400 7.518) 10.443 13.743 ( 10.505 6.312 -3.337) 12.702 14.744 ( -0.528 -5.648 3.544) 6.689 14.829 ( 1.281 -1.628 -5.030) 5.440 14.997 ( 4.130 3.237 -9.688) 11.017 18.192 ( 3.883 -0.966 2.982) 4.990 19.252 ( -12.886 -0.465 4.015) 13.505 25.705 ( -5.169 0.083 0.428) 5.188 26.099 ( -13.941 -3.767 -2.820) 14.714 26.898 ( 12.638 4.381 -5.127) 14.324 27.428 ( 15.047 1.438 -0.097) 15.116 27.899 ( 2.481 -0.315 1.474) 2.903 28.102 ( -1.239 0.378 -1.732) 2.162 29.647 ( 9.846 0.641 -2.741) 10.240 31.820 ( -16.346 -3.124 4.221) 17.168 ======================= Grid point 146 (41/126) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 28.670 -0.000 -0.000) 28.670 1.404 ( 50.009 -0.000 -0.000) 50.009 2.387 ( 83.478 -0.000 -0.000) 83.478 4.112 ( 17.897 -0.000 -0.000) 17.897 5.854 ( 8.665 -0.000 -0.000) 8.665 5.913 ( 12.555 -0.000 -0.000) 12.555 6.326 ( -4.730 0.000 0.000) 4.730 6.485 ( 0.039 -0.000 -0.000) 0.039 6.654 ( 10.960 -0.000 -0.000) 10.960 7.128 ( 0.671 -0.000 -0.000) 0.671 7.563 ( 5.261 -0.000 -0.000) 5.261 8.123 ( 0.010 -0.000 -0.000) 0.010 9.719 ( -8.142 0.000 0.000) 8.142 9.842 ( -9.380 0.000 0.000) 9.380 10.283 ( -6.949 0.000 0.000) 6.949 10.408 ( -1.036 0.000 0.000) 1.036 10.861 ( -1.846 0.000 0.000) 1.846 11.166 ( -12.217 0.000 0.000) 12.217 11.402 ( -9.378 0.000 0.000) 9.378 11.658 ( -25.440 0.000 0.000) 25.440 12.271 ( -2.089 0.000 0.000) 2.089 12.974 ( 21.842 -0.000 -0.000) 21.842 13.743 ( 15.843 -0.000 -0.000) 15.843 15.246 ( -22.791 0.000 0.000) 22.791 15.629 ( 2.913 -0.000 -0.000) 2.913 16.336 ( -3.360 0.000 0.000) 3.360 17.441 ( 4.951 -0.000 -0.000) 4.951 18.271 ( 1.360 -0.000 -0.000) 1.360 25.631 ( -0.461 0.000 0.000) 0.461 27.054 ( -10.356 0.000 0.000) 10.356 27.240 ( 0.398 -0.000 -0.000) 0.398 27.640 ( 1.438 -0.000 -0.000) 1.438 28.350 ( -4.797 0.000 0.000) 4.797 29.151 ( 14.337 -0.000 -0.000) 14.337 29.630 ( -17.070 0.000 0.000) 17.070 30.451 ( 9.712 -0.000 -0.000) 9.712 ======================= Grid point 149 (42/126) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 18.482 18.482 28.369) 38.574 4.342 ( 27.138 27.138 24.584) 45.578 4.950 ( 11.190 11.190 5.047) 16.611 5.428 ( -3.779 -3.779 -4.621) 7.065 5.552 ( 8.423 8.423 -11.041) 16.242 5.923 ( 11.463 11.463 -21.477) 26.908 5.926 ( 9.677 9.677 0.825) 13.711 6.836 ( 17.693 17.693 43.001) 49.751 7.260 ( 0.769 0.769 8.708) 8.775 7.659 ( 7.297 7.297 12.889) 16.512 7.996 ( -14.866 -14.866 -2.367) 21.157 8.234 ( 11.134 11.134 2.406) 15.928 8.748 ( -0.900 -0.900 1.074) 1.665 9.707 ( -5.649 -5.649 -2.651) 8.417 9.785 ( -7.850 -7.850 0.374) 11.108 10.331 ( -13.590 -13.590 -7.202) 20.525 10.455 ( -7.636 -7.636 -0.149) 10.799 10.583 ( -1.354 -1.354 -11.212) 11.375 10.954 ( -4.332 -4.332 -0.657) 6.162 11.901 ( -9.890 -9.890 -17.427) 22.346 13.124 ( -1.966 -1.966 11.351) 11.686 13.289 ( -0.391 -0.391 16.743) 16.752 13.634 ( 11.411 11.411 -2.779) 16.376 14.903 ( 0.035 0.035 -0.240) 0.245 15.067 ( -2.997 -2.997 -19.770) 20.220 15.104 ( -0.995 -0.995 -10.708) 10.800 18.182 ( -1.181 -1.181 9.157) 9.308 19.057 ( -7.095 -7.095 11.952) 15.605 25.667 ( -2.190 -2.190 0.096) 3.099 26.237 ( -11.243 -11.243 -8.049) 17.822 26.950 ( 15.602 15.602 -15.217) 26.802 27.452 ( 6.546 6.546 2.595) 9.614 27.897 ( 1.573 1.573 2.001) 2.992 28.128 ( 0.901 0.901 -5.408) 5.557 29.759 ( 7.585 7.585 -8.662) 13.787 31.724 ( -16.224 -16.224 14.126) 26.944 ======================= Grid point 150 (43/126) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 15.054 9.846 22.927) 29.141 4.969 ( 23.791 13.187 15.656) 31.385 5.116 ( 14.401 0.560 -2.089) 14.562 5.320 ( 0.094 0.900 1.744) 1.965 5.466 ( 8.505 0.217 -7.238) 11.170 5.787 ( 10.934 7.518 -8.840) 15.944 6.183 ( -3.102 31.938 -5.533) 32.562 7.344 ( 1.072 1.435 1.539) 2.362 7.594 ( 10.468 0.357 12.983) 16.681 7.731 ( -11.782 -7.509 8.680) 16.448 7.933 ( 11.885 4.662 8.983) 15.610 8.398 ( 4.378 13.749 -2.432) 14.632 8.788 ( -0.963 -3.036 7.156) 7.833 9.557 ( 2.792 -9.221 0.750) 9.664 9.753 ( -14.560 -2.060 0.258) 14.707 9.992 ( -13.734 -12.624 -11.372) 21.847 10.312 ( 0.259 -7.287 -2.824) 7.820 10.483 ( -4.568 0.807 -3.257) 5.668 10.918 ( -4.136 0.592 -0.619) 4.223 11.488 ( -3.706 -9.681 -15.285) 18.469 13.205 ( -4.881 -1.767 2.963) 5.977 13.465 ( -7.345 -2.682 7.465) 10.810 13.800 ( 11.954 9.319 5.437) 16.103 14.762 ( -4.023 -3.798 -11.851) 13.079 14.915 ( 4.419 -1.835 -4.144) 6.330 14.993 ( 1.912 3.616 -0.219) 4.096 18.266 ( 3.154 -1.078 3.839) 5.084 19.098 ( -12.261 -4.699 4.146) 13.770 25.647 ( -3.489 -0.939 0.382) 3.633 25.996 ( -10.566 -6.521 -6.523) 14.025 26.987 ( 13.302 9.686 -3.608) 16.846 27.562 ( 8.155 2.978 3.127) 9.228 27.939 ( 2.061 -0.336 2.027) 2.910 28.073 ( -0.049 1.852 -3.988) 4.398 29.754 ( 12.867 7.903 -5.896) 16.211 31.677 ( -19.171 -12.959 6.480) 24.030 ======================= Grid point 151 (44/126) ======================= q-point: (-0.64 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( 7.859 -5.944 -8.275) 12.868 4.963 ( 30.403 2.683 6.524) 31.211 5.229 ( 12.143 -3.740 -2.994) 13.054 5.378 ( 6.595 3.618 4.438) 8.734 5.458 ( 3.039 -4.127 8.736) 10.129 5.827 ( 12.532 2.597 3.777) 13.344 6.614 ( -7.591 30.193 -0.344) 31.134 7.296 ( -2.808 -12.336 -9.071) 15.567 7.345 ( -3.934 0.864 -3.000) 5.022 7.906 ( 6.971 -5.663 -2.550) 9.336 8.006 ( 14.487 -0.270 -4.180) 15.080 8.556 ( -5.817 9.650 -0.421) 11.276 8.802 ( 5.703 -8.410 2.536) 10.473 9.477 ( 2.151 -4.407 0.149) 4.906 9.717 ( -15.556 -2.413 -5.612) 16.712 9.774 ( -15.002 1.611 2.572) 15.306 10.219 ( 3.281 -0.537 -1.356) 3.590 10.489 ( -5.026 0.430 2.760) 5.749 10.943 ( -3.322 1.831 -0.054) 3.794 11.277 ( -1.068 1.543 -1.628) 2.484 13.175 ( -5.193 0.851 -5.894) 7.901 13.471 ( -8.894 -3.117 -0.356) 9.431 13.971 ( 13.278 -1.194 7.398) 15.246 14.649 ( -4.142 2.852 -2.080) 5.442 14.826 ( 3.303 3.276 -4.527) 6.491 15.089 ( 2.638 -2.585 8.686) 9.439 18.265 ( 5.580 -1.165 -2.005) 6.042 19.056 ( -15.164 -1.643 -3.795) 15.718 25.649 ( -3.434 -0.648 0.798) 3.585 25.891 ( -10.783 0.645 -1.117) 10.860 27.092 ( 13.113 2.958 5.904) 14.682 27.626 ( 8.835 -2.325 4.408) 10.143 27.936 ( 3.277 -0.090 -1.643) 3.667 28.068 ( -1.620 2.211 -0.421) 2.773 29.795 ( 16.008 6.108 -1.573) 17.205 31.575 ( -21.703 -6.998 -1.564) 22.857 ======================= Grid point 152 (45/126) ======================= q-point: (-0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 24.654 -14.337 -19.692) 34.657 4.926 ( 18.239 -14.507 -16.292) 28.435 5.182 ( 6.585 2.833 8.224) 10.909 5.372 ( 5.255 -8.447 1.791) 10.108 5.654 ( 14.610 0.610 16.604) 22.125 5.960 ( 10.892 -0.443 10.623) 15.222 6.682 ( -7.046 -20.975 2.254) 22.241 7.089 ( 3.764 2.082 -18.031) 18.537 7.399 ( -10.594 4.253 -15.675) 19.391 7.553 ( 4.564 -0.246 -6.642) 8.063 7.832 ( 10.285 -4.437 -13.041) 17.191 8.594 ( -0.363 -5.110 -11.239) 12.351 8.673 ( 3.847 -4.063 7.893) 9.675 9.443 ( 2.958 2.870 -2.230) 4.686 9.709 ( -15.832 4.702 0.161) 16.516 9.944 ( -14.366 11.827 5.201) 19.321 10.251 ( 2.132 4.896 0.640) 5.378 10.561 ( -7.090 1.331 4.867) 8.702 10.930 ( -1.329 -1.399 -0.377) 1.966 11.484 ( -2.581 17.014 6.900) 18.540 13.054 ( -1.720 3.193 -13.066) 13.560 13.389 ( -9.043 -7.803 0.016) 11.944 13.998 ( 13.307 -11.791 8.694) 19.791 14.683 ( 6.051 12.987 -7.705) 16.268 14.969 ( -5.058 4.515 15.036) 16.494 15.159 ( -2.990 -4.650 7.103) 9.001 18.175 ( 5.361 -1.265 -7.434) 9.253 18.941 ( -14.465 1.399 -11.022) 18.240 25.649 ( -2.579 -0.716 0.851) 2.809 25.979 ( -10.894 7.289 4.508) 13.861 27.248 ( 13.726 -3.326 15.083) 20.663 27.610 ( 8.995 -6.697 1.150) 11.274 27.925 ( 3.129 -0.713 1.745) 3.653 28.109 ( -1.674 2.662 1.265) 3.389 29.865 ( 15.113 2.723 2.433) 15.548 31.440 ( -21.987 0.703 -10.505) 24.378 ======================= Grid point 153 (46/126) ======================= q-point: (-0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 28.245 -19.732 -19.890) 39.784 4.362 ( 28.129 -24.278 -21.496) 42.927 5.094 ( 11.434 -16.105 -0.746) 19.765 5.477 ( -2.489 5.002 9.565) 11.077 5.812 ( 15.207 -16.918 -4.517) 23.192 6.015 ( 7.775 -7.302 5.807) 12.144 6.373 ( 13.174 -13.791 1.269) 19.114 6.627 ( 4.451 -18.611 -9.476) 21.354 7.089 ( -3.643 -1.795 -12.126) 12.788 7.526 ( 6.700 -5.204 -15.638) 17.791 7.801 ( -12.406 16.568 0.068) 20.698 8.288 ( 3.536 -9.536 -12.269) 15.937 8.801 ( 3.444 -0.304 10.466) 11.022 9.527 ( 3.713 14.223 -1.341) 14.761 9.772 ( -17.755 1.487 1.107) 17.852 10.184 ( -10.226 15.259 0.806) 18.386 10.348 ( -6.609 6.947 0.056) 9.589 10.687 ( -8.222 5.957 5.901) 11.744 10.930 ( -1.333 1.248 0.693) 1.953 11.775 ( -7.820 19.710 -7.225) 22.402 12.918 ( 7.596 4.261 -9.749) 13.073 13.286 ( -7.993 -12.900 7.248) 16.817 13.911 ( 14.728 -17.638 6.665) 23.926 14.820 ( 5.112 16.116 -0.951) 16.934 15.177 ( -10.397 -2.162 1.787) 10.769 15.323 ( -5.777 5.631 20.568) 22.093 18.015 ( 3.202 -1.097 -11.121) 11.625 18.762 ( -10.459 3.564 -16.878) 20.174 25.659 ( -1.084 -0.033 1.008) 1.481 26.194 ( -11.049 10.432 6.921) 16.698 27.444 ( 11.905 -3.655 8.991) 15.360 27.521 ( 9.311 -11.355 13.112) 19.687 27.952 ( 4.234 -4.762 5.508) 8.423 28.187 ( -1.107 2.577 4.550) 5.346 29.936 ( 10.370 -0.750 4.939) 11.510 31.268 ( -19.512 8.443 -20.903) 29.815 ======================= Grid point 154 (47/126) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 27.833 -27.833 -17.182) 42.948 3.654 ( 33.494 -33.494 -18.778) 50.954 4.814 ( 21.498 -21.498 -19.599) 36.172 4.897 ( 26.586 -26.586 -28.933) 47.442 5.721 ( -3.614 3.614 13.593) 14.522 6.155 ( 10.073 -10.073 13.971) 19.953 6.362 ( 5.877 -5.877 7.446) 11.159 6.450 ( 8.952 -8.952 7.125) 14.527 6.896 ( 4.474 -4.474 -6.634) 9.168 7.270 ( 1.797 -1.797 -10.482) 10.785 7.944 ( -10.937 10.937 -5.765) 16.507 7.987 ( 6.072 -6.072 -12.397) 15.080 8.974 ( 3.465 -3.465 16.494) 17.206 9.767 ( -9.396 9.396 -0.897) 13.318 9.790 ( -9.606 9.606 2.574) 13.827 10.382 ( -12.540 12.540 -2.491) 17.909 10.406 ( -6.434 6.434 -2.118) 9.342 10.894 ( -9.355 9.355 5.852) 14.467 10.981 ( -5.220 5.220 0.107) 7.384 11.737 ( -14.759 14.759 -26.795) 33.965 12.818 ( 6.465 -6.465 -5.140) 10.489 13.367 ( 3.538 -3.538 19.844) 20.465 13.733 ( 18.293 -18.293 3.074) 26.053 15.052 ( -6.051 6.051 6.960) 11.031 15.155 ( -10.536 10.536 -9.173) 17.497 15.726 ( -5.119 5.119 21.875) 23.042 17.820 ( 1.405 -1.405 -11.848) 12.014 18.537 ( -5.003 5.003 -19.994) 21.209 25.669 ( 0.159 -0.159 0.189) 0.293 26.453 ( -11.267 11.267 6.863) 17.349 27.346 ( 4.110 -4.110 -3.966) 7.037 27.804 ( 10.670 -10.670 32.652) 35.970 27.941 ( 6.673 -6.673 3.859) 10.196 28.332 ( 1.451 -1.451 14.688) 14.831 29.988 ( 3.661 -3.661 5.549) 7.589 31.018 ( -14.708 14.708 -33.788) 39.677 ======================= Grid point 156 (48/126) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 19.865 -59.949 -0.000) 63.154 2.182 ( 45.076 -14.765 -0.000) 47.432 3.523 ( 75.675 -4.941 -0.000) 75.836 4.454 ( 23.457 -7.225 -0.000) 24.545 6.032 ( 10.576 -5.905 -0.000) 12.113 6.139 ( 15.427 -4.063 -0.000) 15.953 6.216 ( -6.643 4.562 0.000) 8.058 6.530 ( 1.741 -4.728 -0.000) 5.038 6.828 ( 11.928 -1.713 -0.000) 12.050 7.134 ( 0.632 0.721 0.000) 0.958 7.658 ( 6.750 -1.127 -0.000) 6.843 8.051 ( -0.639 9.200 0.000) 9.222 9.551 ( -16.176 -0.690 0.000) 16.191 9.700 ( -11.505 -0.902 0.000) 11.541 10.169 ( -3.203 6.938 0.000) 7.642 10.377 ( -1.563 0.958 0.000) 1.834 10.654 ( -7.264 14.948 0.000) 16.619 11.084 ( -10.586 -3.849 0.000) 11.265 11.216 ( -12.713 4.717 0.000) 13.560 11.295 ( -27.742 -0.819 0.000) 27.754 12.309 ( -3.814 -11.469 -0.000) 12.086 13.364 ( 23.531 -10.069 -0.000) 25.594 13.946 ( 21.292 6.347 -0.000) 22.218 14.888 ( -29.296 -0.474 0.000) 29.300 15.594 ( 4.033 11.590 0.000) 12.272 16.266 ( -6.266 0.991 0.000) 6.344 17.529 ( 5.435 -2.039 -0.000) 5.805 18.251 ( 1.037 4.773 0.000) 4.884 25.632 ( -0.386 -1.130 -0.000) 1.194 26.851 ( -11.579 7.081 0.000) 13.573 27.242 ( 0.989 0.330 -0.000) 1.042 27.719 ( 0.704 -9.369 -0.000) 9.395 28.253 ( -7.203 1.952 0.000) 7.463 29.398 ( 18.057 -2.233 -0.000) 18.194 29.471 ( -21.349 -11.828 0.000) 24.406 30.480 ( 11.169 13.630 0.000) 17.622 ======================= Grid point 157 (49/126) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 23.418 -0.000 22.926) 32.772 2.321 ( 42.376 -0.000 28.191) 50.897 3.710 ( 71.457 -0.000 28.893) 77.078 4.421 ( 23.409 -0.000 2.327) 23.524 5.949 ( 10.422 -0.000 -5.308) 11.696 5.989 ( 7.827 -0.000 -11.130) 13.606 6.323 ( -0.297 0.000 -20.122) 20.124 6.381 ( 2.141 -0.000 11.734) 11.928 6.803 ( 13.004 -0.000 -1.495) 13.090 7.166 ( 1.096 -0.000 3.421) 3.593 7.705 ( 9.117 -0.000 5.739) 10.773 8.208 ( -0.125 -0.000 10.316) 10.317 9.132 ( 3.406 0.000 -34.634) 34.801 9.710 ( -25.777 0.000 -0.771) 25.788 10.334 ( -11.119 0.000 8.058) 13.732 10.375 ( -2.268 0.000 -1.460) 2.698 10.855 ( -4.272 0.000 2.997) 5.218 11.017 ( -10.220 0.000 -0.195) 10.222 11.232 ( -11.705 0.000 -2.020) 11.878 11.538 ( -30.217 0.000 29.831) 42.461 12.307 ( -2.527 0.000 9.204) 9.544 13.258 ( 23.220 -0.000 -4.569) 23.665 13.848 ( 18.201 -0.000 -15.148) 23.680 14.987 ( -27.608 0.000 9.147) 29.083 15.623 ( 4.039 -0.000 -7.032) 8.110 16.124 ( -5.347 0.000 -17.294) 18.102 17.602 ( 1.047 -0.000 10.903) 10.953 18.446 ( 0.793 -0.000 18.584) 18.601 25.640 ( -0.671 0.000 2.097) 2.201 26.878 ( -11.882 0.000 -3.261) 12.321 27.234 ( 0.744 -0.000 -1.823) 1.969 27.624 ( -0.295 0.000 -4.334) 4.344 28.130 ( 7.294 -0.000 -27.236) 28.196 28.530 ( 12.834 -0.000 -37.424) 39.563 29.834 ( -5.864 0.000 7.989) 9.910 30.970 ( -6.512 0.000 41.060) 41.573 ======================= Grid point 161 (50/126) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( 2.994 2.994 6.607) 7.848 5.096 ( -3.946 -3.946 -6.733) 8.745 5.401 ( 4.195 4.195 3.686) 6.984 5.505 ( -0.469 -0.469 12.067) 12.085 5.593 ( 21.643 21.643 3.044) 30.759 5.921 ( 18.441 18.441 3.614) 26.329 6.146 ( 9.332 9.332 -2.065) 13.358 7.293 ( 7.744 7.744 -14.526) 18.192 7.403 ( -17.763 -17.763 -3.034) 25.304 7.986 ( 5.660 5.660 -1.390) 8.124 8.201 ( 6.870 6.870 5.755) 11.293 8.356 ( 1.592 1.592 -7.014) 7.367 8.919 ( 1.008 1.008 8.709) 8.825 9.549 ( -5.860 -5.860 0.709) 8.318 9.623 ( -7.076 -7.076 2.448) 10.302 9.626 ( -11.569 -11.569 -11.467) 19.979 10.262 ( 0.148 0.148 -2.147) 2.157 10.433 ( -2.167 -2.167 1.534) 3.428 10.904 ( 2.422 2.422 1.461) 3.724 11.262 ( -3.587 -3.587 -6.236) 8.039 13.129 ( -1.451 -1.451 -6.403) 6.724 13.429 ( -6.798 -6.798 2.293) 9.883 14.085 ( 8.770 8.770 10.603) 16.318 14.589 ( -3.480 -3.480 -2.180) 5.383 14.827 ( 4.078 4.078 -9.081) 10.757 15.126 ( -0.232 -0.232 8.276) 8.283 18.327 ( 2.793 2.793 -1.555) 4.246 18.946 ( -9.836 -9.836 -3.560) 14.358 25.631 ( -1.330 -1.330 2.090) 2.812 25.808 ( -5.495 -5.495 -2.973) 8.321 27.163 ( 9.891 9.891 5.247) 14.940 27.706 ( 0.909 0.909 7.764) 7.870 27.983 ( 0.976 0.976 0.353) 1.425 28.017 ( 1.718 1.718 -4.428) 5.051 29.873 ( 15.029 15.029 -4.270) 21.678 31.464 ( -18.579 -18.579 0.329) 26.277 ======================= Grid point 162 (51/126) ======================= q-point: (-0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.682 ( 12.581 -11.048 -7.130) 18.198 4.996 ( -7.747 4.589 -4.126) 9.905 5.403 ( 12.642 -3.361 -2.267) 13.276 5.557 ( 3.274 -5.298 4.892) 7.919 5.944 ( 29.566 1.759 16.560) 33.934 6.097 ( 11.487 1.458 8.341) 14.271 6.503 ( -10.872 24.919 2.675) 27.318 7.117 ( -5.883 -10.401 -5.938) 13.344 7.177 ( 1.279 8.425 -14.531) 16.845 7.781 ( 3.472 -7.237 -23.230) 24.577 8.062 ( 10.658 -9.459 -11.726) 18.454 8.384 ( -11.479 9.222 -6.960) 16.287 8.990 ( 11.978 -10.461 6.230) 17.080 9.422 ( -10.969 1.015 -2.366) 11.267 9.492 ( -5.081 -2.808 -0.104) 5.806 9.623 ( -13.739 2.742 3.211) 14.373 10.262 ( 3.943 1.168 -0.719) 4.175 10.434 ( -6.369 1.247 -0.515) 6.511 10.992 ( 6.365 -0.623 3.745) 7.411 11.245 ( -4.477 8.939 1.006) 10.048 13.004 ( 1.130 3.130 -10.075) 10.611 13.370 ( -10.375 -9.362 4.664) 14.733 14.299 ( 15.013 -0.566 9.494) 17.772 14.615 ( 2.125 4.767 0.376) 5.233 14.819 ( -3.246 6.506 3.005) 7.867 15.178 ( -5.050 -5.858 3.629) 8.543 18.284 ( 6.824 -0.184 -6.746) 9.597 18.745 ( -13.833 -3.502 -10.038) 17.447 25.655 ( 0.381 -2.189 3.121) 3.831 25.782 ( -7.144 2.683 2.804) 8.130 27.403 ( 11.396 5.807 11.595) 17.264 27.792 ( 2.099 -7.163 6.204) 9.706 27.969 ( 2.436 -0.092 2.107) 3.223 28.032 ( -1.365 4.588 -0.708) 4.838 30.013 ( 19.671 12.524 -3.095) 23.524 31.196 ( -23.755 -13.019 -6.502) 27.858 ======================= Grid point 163 (52/126) ======================= q-point: (-0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.317 ( 20.386 -18.739 -11.938) 30.154 4.896 ( 9.217 -6.381 -12.475) 16.772 5.379 ( 9.922 -0.350 4.477) 10.891 5.487 ( 5.289 -11.982 3.391) 13.530 6.134 ( 12.676 -3.569 15.691) 20.485 6.279 ( 17.389 -4.289 3.490) 18.247 6.594 ( -5.100 -6.220 -1.777) 8.238 6.925 ( 10.003 -5.708 -15.883) 19.619 7.044 ( -10.217 -6.552 -6.210) 13.634 7.419 ( -4.462 13.741 -11.496) 18.463 7.734 ( 8.091 -8.032 -15.040) 18.873 8.287 ( -9.647 3.584 -16.091) 19.100 8.965 ( 11.202 -9.171 12.089) 18.861 9.432 ( -0.284 3.497 -0.750) 3.587 9.517 ( -12.186 3.762 0.834) 12.781 9.800 ( -14.976 13.165 2.792) 20.134 10.252 ( 0.527 2.086 -2.711) 3.461 10.468 ( -9.287 5.980 -0.773) 11.072 10.970 ( 4.747 -2.947 -1.571) 5.804 11.417 ( -7.927 15.912 -7.786) 19.408 12.969 ( 10.111 6.603 -2.026) 12.245 13.322 ( -11.995 -12.965 10.174) 20.383 14.360 ( 16.009 -15.097 11.795) 24.967 14.686 ( 10.717 17.675 -7.428) 21.964 15.075 ( -14.047 -6.938 -0.473) 15.674 15.119 ( -9.612 7.558 14.952) 19.315 18.121 ( 6.531 -3.822 -10.192) 12.694 18.558 ( -11.562 3.445 -14.619) 18.954 25.673 ( 1.297 -2.046 3.414) 4.186 25.935 ( -8.298 7.641 6.631) 13.084 27.608 ( 9.463 -0.260 1.106) 9.531 27.749 ( 5.558 -5.128 10.306) 12.783 28.050 ( 1.176 -1.474 7.774) 8.000 28.137 ( -0.384 0.602 10.376) 10.400 30.100 ( 16.929 4.925 -1.676) 17.710 30.924 ( -23.076 -1.968 -15.513) 27.876 ======================= Grid point 164 (53/126) ======================= q-point: (-0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 24.685 -24.685 -11.892) 36.880 4.469 ( 23.736 -23.736 -14.867) 36.712 5.278 ( 15.141 -15.141 0.532) 21.419 5.585 ( -4.857 4.857 10.174) 12.276 5.714 ( 28.677 -28.677 -30.807) 50.930 6.360 ( 4.446 -4.446 19.804) 20.778 6.599 ( 10.986 -10.986 -2.737) 15.776 6.618 ( 1.384 -1.384 1.828) 2.678 7.011 ( 4.111 -4.111 5.722) 8.158 7.335 ( 1.248 -1.248 -17.556) 17.644 7.613 ( -11.132 11.132 -2.218) 15.898 8.062 ( -1.507 1.507 -16.661) 16.797 9.085 ( 5.539 -5.539 15.736) 17.578 9.543 ( -6.350 6.350 0.273) 8.984 9.561 ( -6.642 6.642 1.107) 9.459 10.009 ( -14.196 14.196 -0.748) 20.090 10.261 ( -3.988 3.988 -1.003) 5.728 10.593 ( -11.271 11.271 1.333) 15.995 10.895 ( -1.366 1.366 -5.956) 6.261 11.352 ( -12.750 12.750 -25.827) 31.499 13.017 ( 7.829 -7.829 2.578) 11.368 13.431 ( 0.946 -0.946 20.811) 20.854 14.259 ( 19.189 -19.189 7.217) 28.081 14.880 ( -8.501 8.501 -13.326) 17.947 14.886 ( -5.796 5.796 1.652) 8.362 15.527 ( -9.490 9.490 18.846) 23.137 17.905 ( 4.378 -4.378 -9.793) 11.586 18.384 ( -6.031 6.031 -17.065) 19.078 25.695 ( 1.839 -1.839 2.570) 3.656 26.163 ( -9.596 9.596 7.077) 15.305 27.478 ( 5.483 -5.483 -5.711) 9.630 27.912 ( -1.403 1.403 7.566) 7.821 28.136 ( 7.243 -7.243 9.315) 13.845 28.400 ( 2.616 -2.616 28.139) 28.381 30.097 ( 4.260 -4.260 0.766) 6.073 30.665 ( -11.062 11.062 -27.192) 31.371 ======================= Grid point 166 (54/126) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 15.601 -65.389 -0.000) 67.224 2.995 ( 38.610 -18.705 -0.000) 42.902 4.567 ( 61.925 -7.691 -0.000) 62.401 4.919 ( 25.006 -10.612 -0.000) 27.165 6.028 ( -7.074 8.325 0.000) 10.924 6.288 ( 9.811 -10.437 -0.000) 14.324 6.420 ( 13.424 -6.580 -0.000) 14.950 6.653 ( 4.682 -5.817 -0.000) 7.467 7.004 ( 6.654 -4.669 -0.000) 8.129 7.113 ( -0.161 3.370 0.000) 3.374 7.750 ( 4.460 0.815 -0.000) 4.534 7.872 ( -2.152 13.061 0.000) 13.238 9.340 ( -15.769 -2.944 0.000) 16.042 9.576 ( -9.818 -3.475 0.000) 10.415 9.989 ( -1.289 14.724 0.000) 14.781 10.324 ( -12.780 12.641 0.000) 17.975 10.361 ( -0.660 -1.082 -0.000) 1.267 10.879 ( -18.110 6.285 0.000) 19.170 10.935 ( -14.210 8.690 0.000) 16.657 10.961 ( -14.704 4.348 0.000) 15.333 12.484 ( -4.877 -22.348 -0.000) 22.874 13.867 ( 24.925 -13.775 -0.000) 28.479 14.170 ( 23.947 6.027 -0.000) 24.694 14.466 ( -32.970 -0.731 0.000) 32.978 15.440 ( 4.889 19.140 0.000) 19.754 16.121 ( -9.637 4.750 0.000) 10.744 17.637 ( 5.161 -2.976 -0.000) 5.958 18.180 ( -0.151 6.151 0.000) 6.153 25.657 ( 0.463 -2.646 -0.000) 2.686 26.569 ( -11.653 9.773 0.000) 15.209 27.274 ( 2.177 -2.215 -0.000) 3.106 27.905 ( 1.081 -15.500 -0.000) 15.538 28.102 ( -9.053 3.574 0.000) 9.733 29.317 ( -24.883 -11.124 0.000) 27.256 29.681 ( 18.806 -1.328 -0.000) 18.853 30.428 ( 12.262 16.700 0.000) 20.719 ======================= Grid point 167 (55/126) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 20.345 -46.487 12.869) 52.351 2.973 ( 39.129 -11.228 21.888) 46.220 4.663 ( 62.067 -3.062 21.805) 65.857 4.812 ( 26.691 -5.677 0.894) 27.303 6.004 ( -2.748 3.712 -11.900) 12.765 6.128 ( 7.797 -7.158 -5.731) 12.036 6.393 ( 5.099 -5.444 -21.216) 22.489 6.476 ( 10.621 -0.878 12.484) 16.414 6.955 ( 7.414 -0.714 -0.700) 7.481 7.179 ( 1.631 0.928 4.186) 4.587 7.846 ( 9.935 -0.234 8.668) 13.187 8.110 ( -1.714 12.152 8.666) 15.023 9.156 ( -4.643 -4.539 -23.718) 24.591 9.394 ( -21.803 -3.897 -4.293) 22.560 10.162 ( -7.658 5.285 1.721) 9.462 10.296 ( -6.799 3.720 -3.138) 8.361 10.639 ( -6.683 13.376 6.613) 16.349 10.934 ( -9.962 -1.458 -2.134) 10.292 11.032 ( -12.096 4.684 1.239) 13.030 11.162 ( -26.549 -3.636 27.893) 38.679 12.322 ( -3.245 -8.282 8.313) 12.175 13.654 ( 22.815 -10.329 -5.468) 25.634 14.054 ( 15.435 5.381 -17.369) 23.851 14.610 ( -24.208 0.095 11.041) 26.607 15.614 ( 4.681 9.936 -5.429) 12.251 16.028 ( -7.860 1.048 -15.785) 17.665 17.651 ( 4.007 -1.552 6.083) 7.448 18.410 ( 0.034 5.645 17.716) 18.593 25.638 ( -0.499 -1.182 1.544) 2.008 26.655 ( -12.505 7.039 -3.986) 14.893 27.257 ( 1.473 -1.479 -0.307) 2.109 27.684 ( -1.335 -9.958 -4.205) 10.892 28.122 ( -5.240 0.717 -3.383) 6.278 28.707 ( 3.351 -5.980 -41.026) 41.595 29.815 ( 0.463 -2.670 5.717) 6.326 30.881 ( 4.293 10.513 29.015) 31.158 ======================= Grid point 168 (56/126) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 18.460 -0.000 28.673) 34.101 3.309 ( 34.926 -0.000 30.708) 46.506 4.794 ( 24.855 -0.000 2.026) 24.938 5.123 ( 55.249 -0.000 40.008) 68.214 5.846 ( -0.133 0.000 -12.415) 12.415 5.889 ( -4.138 0.000 -21.672) 22.064 6.004 ( 11.446 -0.000 -16.897) 20.409 6.669 ( 13.016 -0.000 9.192) 15.935 6.978 ( 8.038 -0.000 5.952) 10.002 7.260 ( 2.306 -0.000 5.771) 6.214 7.959 ( 12.729 -0.000 6.935) 14.496 8.401 ( 0.424 -0.000 13.758) 13.764 8.687 ( -6.844 0.000 -25.183) 26.097 9.355 ( -20.255 0.000 0.340) 20.258 10.220 ( -13.770 0.000 2.647) 14.022 10.297 ( -5.445 0.000 -2.071) 5.826 10.756 ( -10.842 0.000 -3.642) 11.437 10.866 ( -6.113 0.000 -4.466) 7.570 11.095 ( -7.229 0.000 2.972) 7.816 11.576 ( -29.541 0.000 24.791) 38.565 12.484 ( -2.365 0.000 18.362) 18.513 13.451 ( 22.319 -0.000 -10.793) 24.792 13.868 ( 15.619 -0.000 -11.429) 19.354 14.723 ( -24.839 0.000 3.678) 25.110 15.528 ( 4.744 -0.000 -13.355) 14.172 15.753 ( -5.656 0.000 -19.417) 20.224 17.773 ( 0.153 -0.000 10.695) 10.696 18.777 ( -0.293 -0.000 22.592) 22.594 25.673 ( -0.868 0.000 3.487) 3.594 26.637 ( -13.217 0.000 -5.018) 14.137 27.208 ( 1.138 -0.000 -3.144) 3.344 27.495 ( 6.130 -0.000 -16.812) 17.895 27.902 ( 10.932 -0.000 -18.993) 21.915 28.286 ( -2.344 0.000 -8.321) 8.645 29.796 ( -2.310 0.000 -3.863) 4.501 31.410 ( -4.402 0.000 28.089) 28.432 ======================= Grid point 173 (57/126) ======================= q-point: (-0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( 0.809 0.809 -5.437) 5.556 4.782 ( -1.600 -1.600 -7.686) 8.013 5.526 ( 5.078 5.078 1.770) 7.397 5.633 ( -2.690 -2.690 3.930) 5.470 6.334 ( 3.803 3.803 5.783) 7.897 6.414 ( -1.831 -1.831 5.758) 6.313 6.526 ( 14.848 14.848 11.599) 23.989 6.946 ( -14.404 -14.404 2.156) 20.484 7.038 ( 14.717 14.717 -16.999) 26.873 7.349 ( -5.735 -5.735 -27.682) 28.846 7.962 ( 0.723 0.723 -13.966) 14.003 8.062 ( -4.988 -4.988 -15.168) 16.728 9.250 ( 1.986 1.986 7.998) 8.477 9.294 ( -1.721 -1.721 3.709) 4.437 9.475 ( -1.720 -1.720 1.574) 2.898 9.508 ( -4.288 -4.288 1.505) 6.248 10.275 ( 1.908 1.908 -3.359) 4.309 10.325 ( -1.835 -1.835 -4.282) 5.007 11.129 ( 2.773 2.773 -3.069) 4.980 11.144 ( 1.499 1.499 -7.790) 8.073 12.997 ( 9.744 9.744 1.679) 13.882 13.326 ( -13.493 -13.493 10.970) 22.011 14.589 ( 16.265 16.265 -2.536) 23.142 14.775 ( -0.325 -0.325 14.409) 14.416 14.828 ( -0.406 -0.406 7.847) 7.868 15.046 ( -12.550 -12.550 -4.615) 18.339 18.240 ( 4.728 4.728 -10.544) 12.485 18.408 ( -7.454 -7.454 -13.146) 16.851 25.750 ( 0.405 0.405 5.867) 5.895 25.770 ( -1.028 -1.028 4.938) 5.148 27.686 ( 6.568 6.568 5.143) 10.617 27.818 ( -2.851 -2.851 -2.288) 4.636 28.040 ( 4.493 4.493 8.731) 10.798 28.154 ( -3.097 -3.097 17.011) 17.566 30.207 ( 18.465 18.465 -7.175) 27.081 30.754 ( -20.325 -20.325 -10.508) 30.605 ======================= Grid point 175 (58/126) ======================= q-point: (-0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.430 ( 18.336 -18.336 -8.718) 27.357 4.771 ( -3.635 3.635 -9.406) 10.720 5.580 ( 4.752 -4.752 4.261) 7.958 5.600 ( 6.357 -6.357 2.105) 9.233 6.358 ( 10.813 -10.813 -6.122) 16.472 6.516 ( 15.534 -15.534 1.333) 22.009 6.530 ( -5.981 5.981 1.996) 8.691 6.894 ( 9.475 -9.475 -1.448) 13.478 7.022 ( -11.090 11.090 8.378) 17.781 7.093 ( -9.160 9.160 -11.223) 17.140 7.631 ( 8.941 -8.941 -13.248) 18.314 7.903 ( -9.179 9.179 -15.698) 20.370 9.290 ( 8.707 -8.707 11.363) 16.756 9.434 ( -2.942 2.942 5.094) 6.577 9.446 ( -0.190 0.190 2.044) 2.062 9.634 ( -12.366 12.366 0.823) 17.508 10.207 ( 0.656 -0.656 -3.422) 3.545 10.322 ( -7.646 7.646 -2.579) 11.117 10.912 ( 2.843 -2.843 -13.688) 14.266 11.061 ( -8.108 8.108 -21.247) 24.144 13.232 ( 7.423 -7.423 11.118) 15.291 13.395 ( -3.829 3.829 18.761) 19.527 14.710 ( 2.181 -2.181 -11.679) 12.080 14.751 ( -3.562 3.562 -5.621) 7.548 14.785 ( 13.127 -13.127 10.671) 21.412 15.204 ( -13.880 13.880 15.404) 24.952 18.046 ( 5.732 -5.732 -10.929) 13.607 18.213 ( -6.273 6.273 -13.745) 16.359 25.777 ( 4.291 -4.291 4.771) 7.720 25.933 ( -7.064 7.064 6.357) 11.841 27.641 ( 6.192 -6.192 -5.502) 10.341 27.806 ( -5.466 5.466 -2.471) 8.115 28.318 ( 5.589 -5.589 16.901) 18.658 28.421 ( -1.528 1.528 25.463) 25.555 30.228 ( 5.437 -5.437 -7.210) 10.541 30.407 ( -7.814 7.814 -17.546) 20.736 ======================= Grid point 177 (59/126) ======================= q-point: (-0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 31.473 -17.938 -0.000) 36.226 3.851 ( 13.090 -55.443 -0.000) 56.967 5.330 ( 24.900 -6.749 -0.000) 25.799 5.387 ( 21.244 -9.120 -0.000) 23.119 5.881 ( 10.073 6.391 -0.000) 11.930 6.560 ( 1.173 -9.008 -0.000) 9.084 6.587 ( -1.454 -7.345 -0.000) 7.488 6.814 ( 10.990 -4.123 -0.000) 11.738 7.026 ( -1.193 7.894 0.000) 7.984 7.159 ( 4.817 -8.511 -0.000) 9.780 7.604 ( -6.398 13.234 0.000) 14.699 7.769 ( 0.821 6.081 0.000) 6.137 9.269 ( -2.055 -6.183 -0.000) 6.516 9.549 ( -5.920 -8.299 -0.000) 10.194 9.756 ( -1.166 15.152 0.000) 15.196 9.971 ( -13.280 11.506 0.000) 17.571 10.382 ( -0.389 -2.181 -0.000) 2.216 10.508 ( -16.992 10.554 0.000) 20.003 10.608 ( -12.361 10.931 0.000) 16.500 10.730 ( -7.053 7.703 0.000) 10.444 12.774 ( -4.364 -28.724 -0.000) 29.054 14.013 ( -34.320 -1.115 0.000) 34.338 14.368 ( 30.085 2.105 -0.000) 30.159 14.478 ( 19.675 -12.481 -0.000) 23.299 15.216 ( 5.694 23.613 0.000) 24.290 15.861 ( -13.377 10.201 0.000) 16.823 17.750 ( 4.943 -3.243 -0.000) 5.912 18.083 ( -1.512 6.094 0.000) 6.279 25.724 ( 2.125 -4.637 -0.000) 5.101 26.282 ( -10.737 9.075 0.000) 14.058 27.366 ( 3.654 -5.244 -0.000) 6.392 27.912 ( -9.936 4.759 0.000) 11.017 28.165 ( 1.242 -19.666 -0.000) 19.705 29.086 ( -25.994 -6.422 0.000) 26.775 29.937 ( 18.078 1.245 -0.000) 18.121 30.362 ( 11.117 16.356 0.000) 19.776 ======================= Grid point 178 (60/126) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 17.518 -56.302 5.091) 59.183 3.661 ( 32.104 -16.527 17.732) 40.227 5.265 ( 25.462 -6.718 -0.859) 26.347 5.408 ( 32.852 -0.922 15.406) 36.296 5.907 ( 5.688 4.379 -7.328) 10.258 6.342 ( 2.130 -13.015 -7.883) 15.365 6.571 ( 8.834 -4.837 -18.123) 20.734 6.616 ( 2.394 -1.657 9.740) 10.166 7.022 ( -0.162 -3.125 -3.056) 4.374 7.190 ( 4.596 1.938 7.441) 8.959 7.843 ( -5.032 17.644 0.670) 18.360 7.950 ( 6.093 3.723 15.128) 16.728 9.154 ( -3.898 -6.079 -10.998) 13.157 9.277 ( -8.500 -9.624 -8.311) 15.296 9.965 ( -5.956 10.743 0.664) 12.302 10.078 ( -12.147 7.543 -3.093) 14.629 10.397 ( -5.357 8.898 2.199) 10.616 10.736 ( -12.149 7.202 0.618) 14.137 10.806 ( -10.616 3.948 11.256) 15.968 10.906 ( -14.280 1.160 17.668) 22.747 12.455 ( -3.823 -18.028 4.436) 18.955 13.947 ( -20.064 -0.712 -6.601) 21.134 14.170 ( 19.467 -14.460 -3.655) 24.523 14.488 ( 14.104 6.404 -3.662) 15.917 15.497 ( 5.593 16.433 -2.119) 17.488 15.862 ( -10.473 5.388 -13.330) 17.788 17.742 ( 4.540 -2.806 4.468) 6.960 18.308 ( -0.725 7.962 16.074) 17.952 25.666 ( 0.519 -3.107 0.245) 3.159 26.371 ( -11.998 8.772 -4.288) 15.469 27.322 ( 2.504 -4.120 1.791) 5.143 27.828 ( -3.209 -12.392 -7.308) 14.739 28.019 ( -7.082 -1.250 4.124) 8.290 28.747 ( -10.998 -7.538 -26.644) 29.794 29.903 ( 7.950 -0.629 -4.791) 9.304 30.805 ( 10.159 14.858 23.754) 29.803 ======================= Grid point 179 (61/126) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 17.419 -35.962 21.116) 45.195 3.825 ( 30.935 -7.881 25.407) 40.800 5.175 ( 25.565 -3.796 -1.051) 25.866 5.675 ( 4.977 7.350 -0.530) 8.892 5.860 ( 23.970 -0.731 4.458) 24.392 5.966 ( 4.774 -12.988 -9.110) 16.567 6.207 ( 11.746 -5.179 -16.560) 20.953 6.838 ( 11.867 1.617 13.472) 18.026 6.994 ( -6.999 -0.560 4.634) 8.413 7.309 ( 4.606 -0.476 6.904) 8.313 8.048 ( 1.272 13.717 -0.470) 13.784 8.279 ( 5.161 7.276 12.438) 15.306 8.709 ( -7.644 -14.939 -17.288) 24.093 9.203 ( -4.886 -3.673 3.202) 6.900 10.055 ( -9.351 0.762 2.235) 9.644 10.131 ( -11.178 6.759 -2.893) 13.379 10.544 ( -9.128 9.434 -3.719) 13.644 10.783 ( -6.205 0.796 -1.464) 6.425 10.962 ( -6.358 4.844 5.101) 9.482 11.229 ( -24.484 -3.988 22.386) 33.414 12.475 ( -2.408 -3.775 16.893) 17.476 13.767 ( 12.040 -4.139 -11.043) 16.853 13.991 ( 1.415 -3.297 -4.370) 5.654 14.484 ( -2.286 2.706 -4.278) 5.554 15.555 ( 4.522 5.737 -10.684) 12.942 15.657 ( -6.609 1.715 -17.967) 19.221 17.809 ( 3.038 -1.661 8.225) 8.924 18.720 ( -0.889 6.519 22.194) 23.148 25.663 ( -0.564 -0.372 2.578) 2.665 26.401 ( -13.109 6.563 -5.381) 15.617 27.266 ( 1.542 -5.176 -1.699) 5.661 27.579 ( 0.718 -5.962 -8.065) 10.055 28.016 ( -0.324 -3.446 -7.503) 8.263 28.258 ( -3.133 -2.362 -17.962) 18.386 29.798 ( 0.848 -1.466 -6.613) 6.827 31.349 ( 4.398 8.667 24.012) 25.904 ======================= Grid point 180 (62/126) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 14.535 -0.000 28.672) 32.146 4.188 ( 27.202 -0.000 28.185) 39.170 5.137 ( 22.690 -0.000 -0.559) 22.697 5.414 ( -6.565 0.000 -26.933) 27.721 5.637 ( -3.937 0.000 -10.899) 11.588 5.920 ( 8.064 -0.000 -15.547) 17.514 6.360 ( 34.873 -0.000 37.388) 51.127 6.911 ( 8.988 -0.000 -0.888) 9.032 7.227 ( -0.141 -0.000 19.800) 19.801 7.392 ( 4.144 -0.000 5.206) 6.654 8.155 ( -15.000 0.000 -20.599) 25.482 8.244 ( 12.149 -0.000 7.535) 14.296 8.606 ( 1.774 -0.000 9.877) 10.035 9.229 ( -3.341 0.000 3.505) 4.842 10.095 ( -9.366 0.000 2.784) 9.771 10.150 ( -12.042 0.000 -1.344) 12.117 10.528 ( -7.900 0.000 -6.237) 10.066 10.729 ( -2.158 0.000 -5.481) 5.890 11.086 ( -4.562 0.000 5.104) 6.846 11.418 ( -26.612 0.000 5.765) 27.229 12.783 ( -2.225 -0.000 24.356) 24.458 13.576 ( 18.010 -0.000 -9.137) 20.195 13.892 ( 4.799 -0.000 -6.515) 8.092 14.472 ( -14.056 0.000 1.863) 14.179 15.352 ( 4.765 -0.000 -18.243) 18.855 15.415 ( -3.904 0.000 -16.095) 16.562 17.934 ( 1.218 -0.000 9.147) 9.227 19.089 ( -0.968 -0.000 18.963) 18.988 25.718 ( -0.918 0.000 3.901) 4.008 26.389 ( -13.577 0.000 -2.592) 13.822 27.173 ( 1.361 -0.000 -3.703) 3.945 27.302 ( 10.916 -0.000 -23.783) 26.169 27.817 ( 1.990 -0.000 -4.340) 4.774 28.176 ( -4.344 0.000 -0.936) 4.444 29.681 ( -2.023 0.000 -6.806) 7.100 31.729 ( 0.769 -0.000 17.688) 17.705 ======================= Grid point 188 (63/126) ======================= q-point: (-0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.323 ( 21.206 -13.164 -0.000) 24.960 4.515 ( 2.668 -14.645 -0.000) 14.886 5.458 ( -4.821 -15.250 -0.000) 15.994 5.642 ( -0.651 -0.926 -0.000) 1.132 6.173 ( 17.220 -4.429 -0.000) 17.780 6.380 ( -18.716 -2.667 0.000) 18.905 6.784 ( 5.639 -3.867 -0.000) 6.837 6.887 ( 0.606 9.736 0.000) 9.755 7.050 ( 13.413 -5.249 -0.000) 14.404 7.323 ( -7.691 12.955 0.000) 15.066 7.386 ( 10.212 -8.341 -0.000) 13.185 7.627 ( -4.968 10.010 0.000) 11.175 9.439 ( 11.368 -6.399 -0.000) 13.045 9.585 ( -7.372 -5.931 0.000) 9.462 9.596 ( -1.864 2.838 0.000) 3.396 9.690 ( -4.998 10.009 0.000) 11.188 10.201 ( -5.265 6.313 0.000) 8.221 10.270 ( -9.212 7.448 0.000) 11.846 10.470 ( 2.901 -1.160 -0.000) 3.124 10.565 ( -4.110 5.221 0.000) 6.645 13.143 ( -3.130 -32.111 -0.000) 32.263 13.563 ( -33.907 -1.921 0.000) 33.961 14.675 ( 28.542 7.800 -0.000) 29.588 14.955 ( 6.642 26.515 0.000) 27.334 14.991 ( 18.842 -18.985 -0.000) 26.748 15.476 ( -16.773 15.376 0.000) 22.754 17.862 ( 5.093 -3.104 -0.000) 5.965 17.975 ( -2.546 5.572 0.000) 6.126 25.847 ( 4.409 -6.891 -0.000) 8.181 26.035 ( -9.049 6.933 0.000) 11.399 27.516 ( 4.828 -7.898 -0.000) 9.257 27.707 ( -9.567 5.238 0.000) 10.907 28.470 ( 0.381 -22.831 -0.000) 22.834 28.791 ( -25.061 -2.119 0.000) 25.150 30.137 ( 16.899 4.656 -0.000) 17.529 30.274 ( 8.223 16.140 0.000) 18.114 ======================= Grid point 189 (64/126) ======================= q-point: (-0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 17.587 -42.989 0.369) 46.449 4.280 ( 19.839 -20.245 14.845) 31.997 5.396 ( -10.364 6.033 -1.316) 12.064 5.642 ( 12.001 -2.121 0.851) 12.217 6.192 ( 21.838 -2.076 5.632) 22.648 6.386 ( -16.013 -3.354 2.193) 16.507 6.623 ( -1.401 -9.284 -0.620) 9.409 6.767 ( 7.723 -4.561 -15.863) 18.223 7.024 ( 1.013 3.024 -8.150) 8.752 7.340 ( 13.189 -1.659 7.568) 15.296 7.529 ( -4.594 12.685 1.815) 13.612 7.902 ( 0.009 10.008 15.884) 18.774 9.255 ( 0.290 -11.283 -11.489) 16.105 9.393 ( 4.461 -9.506 -1.649) 10.630 9.695 ( -7.751 12.226 -2.228) 14.646 9.841 ( -4.970 9.133 1.305) 10.479 10.227 ( -4.661 5.609 -3.526) 8.100 10.442 ( -10.748 11.055 3.611) 15.836 10.654 ( -5.493 1.556 16.123) 17.104 10.742 ( -5.547 2.459 13.886) 15.154 12.693 ( -4.654 -23.878 -2.474) 24.452 13.589 ( -30.080 -3.553 6.510) 30.981 14.613 ( 16.457 -1.198 -17.170) 23.813 14.714 ( 25.176 -6.244 -5.934) 26.609 15.341 ( 7.814 18.495 3.519) 20.384 15.583 ( -13.077 11.751 -10.264) 20.358 17.845 ( 3.884 -3.392 3.909) 6.471 18.185 ( -0.422 8.075 14.734) 16.807 25.745 ( 2.418 -5.567 -1.356) 6.219 26.103 ( -10.465 7.394 -3.858) 13.382 27.438 ( 3.231 -6.900 2.734) 8.095 27.783 ( -9.229 2.271 1.158) 9.575 28.112 ( -2.947 -17.561 -5.874) 18.751 28.635 ( -18.249 -6.733 -12.711) 23.236 30.016 ( 9.901 3.215 -13.917) 17.379 30.754 ( 13.350 15.936 22.485) 30.623 ======================= Grid point 190 (65/126) ======================= q-point: (-0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 15.676 -49.292 13.107) 53.359 4.340 ( 23.379 -11.395 20.250) 32.962 5.455 ( -6.781 8.320 -6.351) 12.472 5.573 ( 12.993 -3.589 -5.369) 14.510 6.049 ( 0.429 -11.730 -19.823) 23.038 6.326 ( 15.898 -1.316 1.602) 16.033 6.453 ( 8.653 -6.170 -4.891) 11.699 6.761 ( -21.028 -5.250 20.594) 29.897 6.962 ( 6.136 6.459 -2.473) 9.246 7.447 ( 13.972 -2.812 8.376) 16.531 7.739 ( -3.593 18.137 -2.768) 18.695 8.301 ( 4.340 8.016 17.828) 20.023 8.855 ( -1.522 -16.203 -12.325) 20.414 9.312 ( 8.974 -6.269 3.237) 11.416 9.818 ( -13.348 10.379 -2.447) 17.084 9.960 ( -3.276 3.237 2.794) 5.387 10.287 ( -6.664 9.880 -3.543) 12.433 10.639 ( -7.064 8.062 3.298) 11.215 10.840 ( -3.446 1.771 6.508) 7.574 11.000 ( -16.471 -3.443 17.649) 24.385 12.527 ( -2.718 -8.733 11.497) 14.691 13.652 ( -23.266 -3.156 7.955) 24.790 14.242 ( 12.445 -9.507 -17.237) 23.289 14.579 ( 19.661 3.910 -12.643) 23.700 15.477 ( -5.067 6.798 -11.040) 13.920 15.543 ( 2.799 9.002 -10.499) 14.111 17.889 ( 3.177 -3.217 7.627) 8.867 18.596 ( 0.060 9.749 21.041) 23.189 25.679 ( 0.676 -2.262 0.449) 2.403 26.131 ( -11.355 7.328 -5.207) 14.483 27.376 ( 1.409 -7.384 0.137) 7.519 27.676 ( -1.302 -7.910 -6.758) 10.485 27.984 ( -7.787 -2.262 4.149) 9.108 28.262 ( -7.535 -7.613 -20.219) 22.881 29.844 ( 3.747 -0.038 -11.387) 11.988 31.299 ( 10.577 13.460 21.093) 27.166 ======================= Grid point 191 (66/126) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 13.791 -29.801 23.565) 40.417 4.566 ( 22.385 -4.423 23.268) 32.589 5.326 ( -6.578 -1.572 -22.388) 23.387 5.439 ( 12.942 1.713 -5.610) 14.209 5.620 ( 0.930 -8.042 -13.123) 15.420 6.042 ( 6.036 -3.128 -19.226) 20.392 6.647 ( -11.979 -0.793 17.492) 21.216 6.864 ( -0.577 1.510 3.073) 3.472 7.234 ( 4.270 1.342 22.396) 22.839 7.503 ( 9.646 -4.461 5.552) 11.990 7.909 ( 1.979 16.067 -7.141) 17.694 8.516 ( 9.091 -13.373 1.107) 16.208 8.610 ( -0.725 3.070 8.185) 8.772 9.292 ( 7.878 -4.218 3.384) 9.555 9.915 ( -14.378 5.883 0.800) 15.555 10.022 ( -1.772 -0.747 3.745) 4.210 10.363 ( -5.874 10.191 -5.154) 12.843 10.701 ( -2.698 0.495 -2.167) 3.496 10.985 ( -3.454 4.926 6.319) 8.725 11.130 ( -20.462 -5.007 6.939) 22.180 12.753 ( -2.085 -0.031 22.890) 22.984 13.740 ( -8.658 -0.375 5.356) 10.188 13.880 ( 3.586 -6.073 -14.567) 16.185 14.452 ( 10.650 1.419 -7.326) 13.004 15.330 ( -3.382 4.426 -15.727) 16.684 15.419 ( 4.375 0.325 -15.137) 15.760 17.978 ( 2.864 -1.941 8.368) 9.055 19.026 ( -0.678 6.669 18.950) 20.101 25.699 ( -0.432 0.773 3.052) 3.178 26.161 ( -12.112 5.801 -2.518) 13.664 27.223 ( 0.926 -4.387 -6.995) 8.308 27.465 ( 4.318 -7.792 -11.804) 14.788 27.861 ( -1.330 -5.238 -7.596) 9.322 28.090 ( -6.950 1.032 1.682) 7.224 29.676 ( -0.367 -1.316 -9.127) 9.228 31.730 ( 7.346 7.772 15.775) 19.058 ======================= Grid point 192 (67/126) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 10.549 -0.000 23.128) 25.420 4.892 ( 19.417 -0.000 21.544) 29.002 4.931 ( -7.026 0.000 -22.849) 23.905 5.385 ( 17.981 -0.000 -3.942) 18.408 5.398 ( -7.907 0.000 -10.676) 13.285 5.741 ( 1.826 0.000 -16.760) 16.859 6.760 ( -33.812 0.000 0.077) 33.812 7.048 ( 2.452 -0.000 16.382) 16.565 7.492 ( 6.231 -0.000 7.863) 10.032 7.513 ( 5.228 -0.000 1.616) 5.472 7.976 ( 14.826 -0.000 3.516) 15.238 8.499 ( 6.978 -0.000 7.428) 10.191 8.693 ( -1.583 0.000 -0.332) 1.617 9.302 ( 4.973 -0.000 1.775) 5.281 9.999 ( -8.672 0.000 4.363) 9.708 10.071 ( -0.387 -0.000 3.913) 3.932 10.380 ( -3.307 0.000 -3.598) 4.887 10.645 ( -0.214 0.000 -4.582) 4.587 11.112 ( -2.582 0.000 4.755) 5.410 11.113 ( -16.115 0.000 -1.607) 16.195 13.132 ( -2.115 -0.000 24.286) 24.378 13.611 ( 7.205 -0.000 -11.371) 13.462 13.811 ( -4.980 0.000 -0.194) 4.984 14.454 ( -0.360 -0.000 7.540) 7.549 15.115 ( 3.828 -0.000 -20.111) 20.472 15.157 ( -0.802 0.000 -13.851) 13.874 18.078 ( 2.598 -0.000 6.217) 6.738 19.316 ( -0.868 -0.000 12.404) 12.434 25.763 ( -0.678 0.000 3.354) 3.422 26.208 ( -12.286 0.000 2.866) 12.616 27.087 ( 8.784 -0.000 -21.768) 23.473 27.136 ( 1.207 -0.000 -3.414) 3.621 27.814 ( -0.953 0.000 2.400) 2.582 28.119 ( -3.909 0.000 0.451) 3.935 29.551 ( -2.736 0.000 -5.325) 5.987 31.976 ( 5.493 -0.000 9.198) 10.713 ======================= Grid point 199 (68/126) ======================= q-point: ( 0.55 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( -3.256 -3.256 3.968) 6.079 4.588 ( 1.945 1.945 7.361) 7.858 5.247 ( -17.673 -17.673 -6.931) 25.937 5.625 ( -4.766 -4.766 9.626) 11.751 6.328 ( 2.255 2.255 5.546) 6.397 6.340 ( -2.510 -2.510 8.352) 9.075 6.680 ( 2.044 2.044 -13.864) 14.162 6.881 ( -0.763 -0.763 -9.547) 9.608 7.024 ( 0.687 0.687 -15.331) 15.361 7.279 ( 6.245 6.245 1.366) 8.937 7.664 ( 3.553 3.553 11.398) 12.457 7.705 ( 5.476 5.476 17.590) 19.219 9.430 ( -4.734 -4.734 -7.605) 10.132 9.433 ( -5.582 -5.582 -8.755) 11.788 9.614 ( 5.720 5.720 -0.255) 8.093 9.680 ( 5.903 5.903 2.727) 8.783 10.168 ( -0.309 -0.309 -0.613) 0.753 10.236 ( 1.708 1.708 3.645) 4.373 10.609 ( -0.836 -0.836 13.463) 13.514 10.687 ( -0.928 -0.928 15.912) 15.966 12.882 ( -15.222 -15.222 -12.239) 24.763 13.349 ( -17.635 -17.635 16.502) 29.905 14.726 ( 14.001 14.001 -24.542) 31.533 15.154 ( 0.098 0.098 -9.295) 9.296 15.213 ( 2.693 2.693 -5.782) 6.924 15.254 ( 14.268 14.268 9.166) 22.162 17.910 ( -0.606 -0.606 2.799) 2.928 18.111 ( 4.437 4.437 15.190) 16.435 25.886 ( -1.617 -1.617 -3.129) 3.875 25.892 ( -1.650 -1.650 -2.520) 3.434 27.566 ( -3.305 -3.305 0.594) 4.711 27.641 ( -1.926 -1.926 5.822) 6.428 28.260 ( -11.527 -11.527 -14.923) 22.101 28.510 ( -12.886 -12.886 -1.908) 18.324 30.065 ( 7.354 7.354 -17.401) 20.272 30.736 ( 15.207 15.207 22.676) 31.252 ======================= Grid point 201 (69/126) ======================= q-point: (-0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 13.647 -40.895 7.318) 43.729 4.721 ( 9.808 -5.990 14.687) 18.649 5.104 ( -27.028 3.242 0.973) 27.239 5.662 ( -6.005 0.205 -5.194) 7.942 6.251 ( 7.224 -7.695 -12.701) 16.514 6.386 ( -9.787 -6.948 -3.515) 12.507 6.547 ( 5.329 -1.534 -16.514) 17.420 6.681 ( -2.698 3.062 1.712) 4.425 6.909 ( -1.246 1.868 8.964) 9.241 7.486 ( 6.047 14.132 4.879) 16.127 7.793 ( 16.356 -7.451 11.887) 21.549 8.144 ( -3.644 13.711 15.234) 20.817 9.103 ( 3.311 -16.477 -7.313) 18.328 9.413 ( -9.329 5.758 -0.587) 10.979 9.636 ( 9.460 0.009 -0.328) 9.466 9.854 ( 2.773 12.105 0.978) 12.457 10.160 ( -1.387 -0.522 0.330) 1.518 10.403 ( -4.764 10.477 5.465) 12.741 10.810 ( -2.111 -2.135 11.987) 12.358 10.873 ( -8.564 -3.145 11.767) 14.889 12.615 ( -5.035 -10.035 3.772) 11.844 13.415 ( -21.931 -10.943 16.757) 29.690 14.439 ( 10.745 4.200 -28.165) 30.437 14.869 ( 15.803 -6.987 -11.385) 20.692 15.250 ( -6.387 12.628 -12.056) 18.590 15.486 ( 7.950 10.169 -2.097) 13.077 17.965 ( 0.523 -3.144 7.722) 8.354 18.485 ( 3.959 9.080 20.045) 22.359 25.753 ( 2.776 -5.176 -2.105) 6.239 25.905 ( -8.479 5.335 -3.912) 10.755 27.487 ( -1.167 -7.104 -1.466) 7.347 27.724 ( -3.009 -2.922 3.715) 5.603 27.928 ( -7.807 -6.386 -6.022) 11.747 28.250 ( -11.884 -10.714 -11.280) 19.577 29.885 ( 4.164 2.432 -14.685) 15.456 31.272 ( 14.147 15.134 19.511) 28.458 ======================= Grid point 202 (70/126) ======================= q-point: (-0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 12.689 -43.723 17.457) 48.759 4.895 ( 13.777 -5.170 18.070) 23.304 5.165 ( -14.086 5.800 -7.611) 17.029 5.446 ( -11.514 -7.310 -13.227) 18.999 5.892 ( 11.351 -7.299 -14.442) 19.766 6.143 ( -4.900 -3.089 -18.382) 19.273 6.244 ( -24.434 -4.972 -10.257) 26.962 6.830 ( 0.378 10.789 1.170) 10.859 7.278 ( 2.146 -0.970 28.896) 28.992 7.771 ( 6.136 10.544 4.306) 12.937 7.803 ( 18.165 -6.416 7.248) 20.584 8.467 ( -7.621 8.983 5.575) 13.033 8.819 ( 6.159 -13.909 -0.932) 15.240 9.512 ( 10.496 -2.665 3.893) 11.508 9.650 ( -6.649 5.771 3.204) 9.370 10.029 ( 4.691 9.002 2.404) 10.431 10.158 ( -3.341 2.932 -2.172) 4.947 10.607 ( -3.903 6.900 1.647) 8.097 10.878 ( -6.025 0.858 3.658) 7.100 10.995 ( -8.684 -4.589 9.954) 13.984 12.731 ( -1.937 -0.816 18.839) 18.956 13.545 ( -20.634 -7.951 16.848) 27.800 14.049 ( 8.700 -0.698 -24.340) 25.857 14.640 ( 14.012 -1.998 -10.229) 17.464 15.194 ( -2.242 9.414 -14.813) 17.694 15.464 ( 4.569 2.300 -11.652) 12.725 18.049 ( 1.634 -3.184 8.738) 9.443 18.916 ( 2.259 9.613 18.274) 20.771 25.701 ( 1.024 -0.850 0.806) 1.556 25.934 ( -8.564 5.655 -1.746) 10.410 27.293 ( -1.536 -5.698 -10.837) 12.339 27.630 ( 1.803 -10.102 -1.169) 10.328 27.902 ( -7.713 -7.691 -5.052) 12.007 27.970 ( -7.108 0.527 0.065) 7.128 29.695 ( 0.763 -0.611 -11.691) 11.731 31.723 ( 11.874 12.417 14.342) 22.380 ======================= Grid point 203 (71/126) ======================= q-point: (-0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 9.776 -27.594 19.206) 35.012 4.858 ( -4.654 -2.862 -21.426) 22.111 5.146 ( 11.573 -2.462 15.947) 19.857 5.263 ( -11.020 -0.008 -8.766) 14.081 5.648 ( 11.401 -3.371 -9.048) 14.940 5.779 ( 3.395 -1.641 -22.113) 22.432 6.141 ( -48.321 -0.795 -0.712) 48.333 6.983 ( -6.899 4.043 5.970) 9.979 7.585 ( 6.018 -1.026 10.487) 12.134 7.671 ( 6.858 -8.914 0.171) 11.248 8.098 ( 14.428 12.163 8.650) 20.759 8.562 ( -7.261 1.462 -1.461) 7.549 8.695 ( 3.168 -7.041 2.081) 7.996 9.442 ( 10.099 -5.278 -1.652) 11.514 9.883 ( -1.938 5.581 12.162) 13.521 10.134 ( 7.467 -1.430 5.857) 9.597 10.232 ( -3.795 12.720 -3.130) 13.638 10.610 ( -3.996 0.395 -4.891) 6.329 10.986 ( -7.768 0.355 5.626) 9.598 11.070 ( -0.688 -1.376 7.834) 7.983 13.080 ( -1.952 3.183 22.521) 22.829 13.638 ( -13.095 -7.590 1.782) 15.240 13.764 ( 4.325 1.683 -7.225) 8.587 14.531 ( 8.848 -0.701 -0.378) 8.884 15.070 ( 0.350 7.097 -16.207) 17.696 15.227 ( 2.621 -4.058 -16.166) 16.872 18.133 ( 2.938 -1.883 6.583) 7.451 19.264 ( 0.428 6.137 12.280) 13.735 25.740 ( -0.172 1.840 2.655) 3.235 26.017 ( -9.332 4.302 3.543) 10.870 27.075 ( 1.251 2.253 -13.473) 13.718 27.349 ( 2.381 -15.714 -9.002) 18.265 27.806 ( -2.442 -2.078 2.569) 4.109 28.042 ( -6.099 0.999 2.965) 6.854 29.532 ( -1.958 -1.537 -7.032) 7.460 32.033 ( 10.101 7.206 8.294) 14.925 ======================= Grid point 204 (72/126) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 2.796 -0.000 -0.219) 2.805 4.621 ( -3.127 0.000 -3.635) 4.795 5.034 ( -15.313 0.000 -18.570) 24.069 5.355 ( 11.751 -0.000 9.642) 15.201 5.457 ( 2.650 -0.000 -18.439) 18.629 5.526 ( 5.119 -0.000 -3.569) 6.241 6.164 ( -47.780 0.000 4.485) 47.990 7.149 ( -12.330 0.000 12.354) 17.454 7.574 ( 4.799 -0.000 -2.846) 5.580 7.604 ( 2.919 -0.000 -7.991) 8.507 8.264 ( 15.006 -0.000 -1.011) 15.040 8.489 ( -10.610 0.000 -8.458) 13.568 8.684 ( 1.623 -0.000 3.549) 3.903 9.372 ( 7.172 -0.000 -1.783) 7.390 10.106 ( 5.109 -0.000 10.975) 12.105 10.224 ( 9.762 -0.000 6.230) 11.581 10.317 ( -2.112 0.000 0.786) 2.253 10.532 ( -4.262 0.000 -3.679) 5.630 11.115 ( 3.858 -0.000 13.637) 14.172 11.158 ( -0.349 -0.000 3.825) 3.841 13.418 ( -1.209 -0.000 14.538) 14.589 13.486 ( -2.187 0.000 -6.891) 7.230 13.755 ( -2.201 0.000 -2.478) 3.315 14.630 ( 1.349 -0.000 13.196) 13.265 14.878 ( 1.620 0.000 -14.385) 14.476 14.970 ( 1.248 0.000 -10.833) 10.905 18.189 ( 4.217 -0.000 2.257) 4.783 19.437 ( -0.340 -0.000 4.540) 4.552 25.798 ( -0.186 -0.000 1.945) 1.954 26.147 ( -10.715 0.000 9.591) 14.380 26.901 ( 6.556 -0.000 -15.859) 17.161 27.105 ( 0.702 -0.000 -2.257) 2.364 27.845 ( -1.270 0.000 3.184) 3.428 28.073 ( -4.177 0.000 0.644) 4.227 29.461 ( -3.561 0.000 -0.399) 3.583 32.161 ( 9.405 -0.000 1.820) 9.580 ======================= Grid point 212 (73/126) ======================= q-point: ( 0.64 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.535 ( -11.873 -11.873 12.529) 20.950 4.706 ( -13.395 -13.395 7.392) 20.335 5.120 ( -2.053 -2.053 20.303) 20.509 5.369 ( -8.496 -8.496 -17.818) 21.490 5.906 ( -16.780 -16.780 -23.580) 33.454 6.104 ( -2.140 -2.140 -14.320) 14.637 6.296 ( 6.035 6.035 -25.922) 27.291 6.695 ( 4.045 4.045 2.863) 6.397 7.303 ( -1.802 -1.802 32.398) 32.498 7.726 ( 11.815 11.815 8.026) 18.537 8.152 ( 3.610 3.610 10.078) 11.298 8.191 ( -0.702 -0.702 0.317) 1.042 8.992 ( -7.582 -7.582 -5.472) 12.039 9.448 ( 4.036 4.036 13.945) 15.068 9.756 ( 5.952 5.952 -2.085) 8.672 9.895 ( 5.944 5.944 -2.975) 8.917 10.196 ( 0.701 0.701 3.641) 3.774 10.484 ( 4.213 4.213 4.977) 7.764 10.828 ( -6.104 -6.104 0.645) 8.656 10.974 ( -2.841 -2.841 11.922) 12.580 12.723 ( -1.637 -1.637 16.084) 16.250 13.452 ( -15.315 -15.315 20.418) 29.765 14.113 ( 5.182 5.182 -27.266) 28.234 14.798 ( 0.621 0.621 -10.335) 10.372 15.071 ( 8.411 8.411 -14.752) 18.950 15.480 ( 3.893 3.893 -9.921) 11.346 18.087 ( -1.682 -1.682 9.143) 9.447 18.859 ( 7.331 7.331 17.778) 20.580 25.742 ( -0.351 -0.351 -2.762) 2.807 25.804 ( -0.679 -0.679 1.192) 1.530 27.324 ( -4.293 -4.293 -12.481) 13.879 27.787 ( -4.883 -4.883 1.886) 7.159 27.797 ( -4.955 -4.955 5.221) 8.738 27.947 ( -7.638 -7.638 -8.540) 13.770 29.705 ( 0.515 0.515 -12.748) 12.769 31.718 ( 13.729 13.729 13.779) 23.808 ======================= Grid point 214 (74/126) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 9.216 -42.143 16.789) 46.291 4.854 ( -6.714 -2.480 -15.261) 16.856 4.998 ( -28.896 2.083 6.107) 29.608 5.227 ( -11.775 -7.977 -12.653) 19.037 5.521 ( -10.938 1.787 0.345) 11.088 5.786 ( -5.685 -5.177 -18.483) 20.019 5.999 ( 11.320 -0.361 -17.913) 21.194 6.815 ( -7.865 1.948 6.861) 10.618 7.659 ( 0.344 -2.775 14.876) 15.137 7.897 ( 5.874 -6.952 -2.151) 9.352 8.114 ( 12.359 8.032 4.761) 15.490 8.345 ( -11.102 7.192 -3.106) 13.588 8.836 ( -2.266 -8.594 0.668) 8.913 9.692 ( 12.847 -6.114 -3.315) 14.609 9.807 ( 5.172 8.274 18.376) 20.806 9.983 ( -4.613 13.674 -3.576) 14.868 10.276 ( 9.439 0.360 6.573) 11.508 10.548 ( -3.229 0.859 -3.570) 4.890 10.859 ( -2.597 4.597 6.521) 8.391 11.112 ( -0.662 -3.262 11.997) 12.451 13.014 ( -0.432 2.739 19.655) 19.850 13.566 ( -14.853 -11.878 16.365) 25.090 13.808 ( 4.684 2.632 -17.719) 18.516 14.668 ( 6.811 -1.395 -4.057) 8.049 14.968 ( 2.711 9.275 -15.489) 18.256 15.296 ( 1.230 -1.585 -15.569) 15.697 18.190 ( 0.613 -2.026 7.583) 7.873 19.192 ( 4.289 7.715 11.582) 14.562 25.721 ( 0.726 1.240 0.087) 1.440 25.874 ( -3.697 2.301 5.474) 6.995 27.071 ( -1.242 -1.318 -14.006) 14.123 27.564 ( -3.426 -14.543 -7.500) 16.718 27.796 ( -4.919 -3.557 4.389) 7.491 27.943 ( -4.462 1.087 4.361) 6.333 29.531 ( -1.502 -1.608 -8.409) 8.693 32.058 ( 12.334 11.466 7.796) 18.557 ======================= Grid point 215 (75/126) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( 0.942 -27.912 -9.572) 29.523 4.610 ( -1.376 -2.007 -1.686) 2.961 4.808 ( -23.251 -6.094 -22.644) 33.023 5.295 ( -25.375 6.023 10.073) 27.958 5.441 ( -6.015 -4.010 -10.078) 12.403 5.618 ( 2.815 4.373 -4.482) 6.865 5.754 ( 1.547 -5.135 -7.813) 9.477 6.970 ( -14.143 -2.343 14.157) 20.148 7.607 ( -3.009 -3.388 -15.338) 15.993 7.703 ( 3.209 -7.329 -5.755) 9.855 8.301 ( -12.406 3.296 -8.905) 15.623 8.343 ( 10.598 10.660 1.080) 15.071 8.748 ( -0.847 -6.128 0.843) 6.244 9.561 ( 13.725 -5.630 -1.446) 14.905 10.126 ( 0.103 9.722 3.637) 10.381 10.202 ( 4.327 8.536 13.791) 16.787 10.382 ( 9.073 -1.489 4.604) 10.283 10.504 ( 0.125 -0.336 2.046) 2.078 11.062 ( 0.044 7.899 7.327) 10.774 11.257 ( 2.856 -6.127 16.129) 17.488 13.336 ( -0.513 5.873 11.513) 12.935 13.512 ( -4.224 -6.512 -2.233) 8.076 13.721 ( -2.130 -0.227 -1.195) 2.453 14.675 ( 4.049 -0.431 7.222) 8.291 14.857 ( 0.776 4.401 -11.485) 12.324 15.017 ( -0.035 -4.051 -12.725) 13.354 18.256 ( 3.554 -1.138 3.805) 5.329 19.403 ( 1.581 5.158 3.931) 6.676 25.770 ( 0.023 3.272 1.382) 3.552 26.011 ( -7.205 -0.048 9.659) 12.050 26.897 ( 2.946 5.625 -12.110) 13.673 27.259 ( -0.002 -14.450 -5.084) 15.319 27.831 ( -3.117 -2.269 4.969) 6.290 28.000 ( -4.906 0.797 1.226) 5.119 29.429 ( -3.180 -1.868 -1.283) 3.905 32.260 ( 11.778 6.918 1.809) 13.779 ======================= Grid point 216 (76/126) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -5.270 0.000 -27.139) 27.646 4.333 ( -31.002 0.000 -30.537) 43.516 4.702 ( -0.878 0.000 6.512) 6.571 5.206 ( -4.376 0.000 -4.489) 6.269 5.525 ( 1.704 -0.000 1.871) 2.530 5.546 ( 4.517 -0.000 -4.403) 6.308 5.741 ( -32.308 0.000 12.210) 34.539 7.043 ( -13.190 0.000 -23.972) 27.361 7.250 ( -14.553 0.000 -7.143) 16.212 7.555 ( 3.003 -0.000 -6.610) 7.260 8.168 ( -12.549 0.000 -10.070) 16.090 8.417 ( 12.096 -0.000 -0.830) 12.124 8.712 ( -0.861 0.000 -0.754) 1.144 9.526 ( 15.558 -0.000 2.261) 15.721 10.249 ( -0.003 -0.000 1.581) 1.581 10.370 ( 1.304 -0.000 2.051) 2.430 10.495 ( 9.921 -0.000 14.990) 17.976 10.595 ( 10.925 -0.000 5.990) 12.459 11.210 ( 0.891 -0.000 2.046) 2.232 11.521 ( 6.762 -0.000 26.190) 27.048 13.347 ( -2.669 0.000 -7.989) 8.423 13.477 ( 0.714 0.000 -7.538) 7.571 13.657 ( -2.327 0.000 -6.445) 6.852 14.785 ( -1.398 0.000 3.347) 3.627 14.837 ( -0.113 -0.000 7.752) 7.753 14.919 ( 1.312 -0.000 7.777) 7.887 18.268 ( 6.749 -0.000 -1.540) 6.923 19.440 ( 0.096 0.000 -3.994) 3.996 25.813 ( 0.293 -0.000 -0.151) 0.330 26.171 ( -13.270 0.000 13.206) 18.722 26.812 ( 8.464 -0.000 -8.273) 11.836 27.090 ( 0.138 -0.000 -0.353) 0.379 27.861 ( -0.489 0.000 0.003) 0.489 28.026 ( -6.127 0.000 2.940) 6.796 29.451 ( -3.782 0.000 5.837) 6.955 32.291 ( 12.436 -0.000 -4.437) 13.204 ======================= Grid point 225 (77/126) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.269 ( -18.104 -18.104 -24.906) 35.718 4.426 ( -24.029 -24.029 -20.025) 39.443 4.738 ( -3.346 -3.346 9.767) 10.853 4.947 ( -8.090 -8.090 14.563) 18.519 5.421 ( -7.002 -7.002 -15.713) 18.573 5.637 ( 7.391 7.391 -1.798) 10.606 5.842 ( 3.063 3.063 -15.618) 16.208 6.878 ( -9.060 -9.060 17.046) 21.324 7.606 ( -7.036 -7.036 -18.779) 21.252 7.814 ( -3.602 -3.602 -8.939) 10.288 8.150 ( -3.151 -3.151 -6.679) 8.029 8.338 ( 11.854 11.854 2.789) 16.994 8.786 ( -4.291 -4.291 -1.111) 6.169 9.806 ( 4.670 4.670 -2.396) 7.025 9.923 ( 5.004 5.004 1.674) 7.272 10.204 ( 8.067 8.067 19.319) 22.436 10.451 ( -2.789 -2.789 -2.008) 4.425 10.532 ( 7.552 7.552 10.547) 15.011 10.987 ( 4.594 4.594 6.500) 9.190 11.325 ( -1.941 -1.941 18.239) 18.444 13.288 ( 3.018 3.018 12.815) 13.507 13.528 ( -5.653 -5.653 -3.476) 8.718 13.708 ( -1.423 -1.423 -0.041) 2.012 14.721 ( 1.959 1.959 3.289) 4.301 14.817 ( 2.830 2.830 -8.145) 9.075 15.048 ( -2.470 -2.470 -14.164) 14.588 18.293 ( 0.507 0.507 4.900) 4.953 19.372 ( 5.027 5.027 3.290) 7.834 25.740 ( 1.888 1.888 0.538) 2.724 25.963 ( -2.740 -2.740 10.152) 10.867 26.878 ( 2.765 2.765 -11.541) 12.186 27.376 ( -7.738 -7.738 -5.830) 12.399 27.823 ( -5.142 -5.142 7.312) 10.312 27.951 ( -0.708 -0.708 0.540) 1.137 29.420 ( -2.652 -2.652 -1.762) 4.144 32.293 ( 11.039 11.039 1.873) 15.724 ======================= Grid point 226 (78/126) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( -4.316 -24.460 -30.648) 39.449 3.882 ( -36.133 -3.814 -31.600) 48.153 4.736 ( -0.295 -4.499 -3.855) 5.932 5.151 ( -7.077 -5.024 9.803) 13.093 5.290 ( -19.026 -0.379 16.180) 24.978 5.611 ( 6.316 2.668 -8.479) 10.904 5.651 ( 1.599 -1.449 -9.377) 9.622 6.938 ( -11.131 -9.248 -38.369) 41.007 7.060 ( -13.198 -2.801 3.491) 13.936 7.617 ( 0.685 -3.398 -8.990) 9.635 8.019 ( -8.430 -0.982 -8.179) 11.787 8.496 ( 9.420 7.619 -0.257) 12.118 8.718 ( -1.795 -2.454 -1.613) 3.442 9.788 ( 16.439 -3.049 3.292) 17.041 10.118 ( -2.063 12.824 2.719) 13.270 10.399 ( -2.777 -4.557 3.552) 6.411 10.591 ( 9.329 5.605 17.008) 20.192 10.764 ( 14.300 4.351 7.198) 16.591 11.152 ( 1.116 7.359 3.346) 8.160 11.606 ( -2.158 -6.173 26.513) 27.307 13.362 ( 2.070 -2.482 -7.409) 8.084 13.447 ( -0.942 4.476 -5.527) 7.175 13.629 ( -0.828 0.048 -9.122) 9.159 14.787 ( -1.086 -2.292 2.645) 3.665 14.822 ( -2.774 -1.237 8.350) 8.885 14.933 ( 0.651 0.139 6.600) 6.634 18.350 ( 4.675 0.802 1.167) 4.885 19.422 ( 2.337 3.870 -4.989) 6.732 25.785 ( 0.682 3.377 0.009) 3.445 26.054 ( -10.273 -6.800 9.579) 15.605 26.832 ( 7.973 9.435 -5.337) 13.456 27.192 ( -1.781 -9.558 -2.114) 9.950 27.864 ( -2.838 -3.896 4.795) 6.798 27.938 ( -4.921 0.482 -0.337) 4.956 29.418 ( -3.272 -2.102 5.761) 6.951 32.410 ( 11.814 7.268 -3.435) 14.289 ======================= Grid point 227 (79/126) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -6.558 0.000 -36.256) 36.844 3.344 ( -37.536 0.000 -35.092) 51.385 4.545 ( -8.342 0.000 -13.316) 15.713 5.344 ( -0.832 -0.000 19.944) 19.961 5.481 ( -7.148 0.000 -10.645) 12.822 5.541 ( 2.063 -0.000 -0.438) 2.109 5.571 ( -12.712 0.000 4.317) 13.425 6.103 ( -22.914 0.000 -41.608) 47.501 7.108 ( -7.907 0.000 -2.677) 8.348 7.461 ( 0.640 0.000 -8.661) 8.685 7.880 ( -8.576 0.000 -8.281) 11.922 8.542 ( 5.987 -0.000 -0.758) 6.034 8.648 ( -1.462 0.000 -5.129) 5.333 9.852 ( 20.012 -0.000 7.153) 21.252 10.275 ( -0.432 0.000 2.805) 2.838 10.460 ( -2.010 0.000 11.657) 11.829 10.851 ( 16.434 -0.000 1.132) 16.473 10.868 ( 10.836 -0.000 13.318) 17.169 11.235 ( 0.472 -0.000 -0.187) 0.508 11.984 ( -3.669 0.000 28.740) 28.973 13.144 ( 2.343 0.000 -18.897) 19.041 13.240 ( 1.335 0.000 -23.036) 23.075 13.524 ( -2.455 0.000 -4.331) 4.978 14.921 ( -2.419 0.000 15.985) 16.167 14.953 ( 0.240 -0.000 11.400) 11.403 15.160 ( -1.377 -0.000 19.482) 19.531 18.339 ( 10.158 -0.000 -4.060) 10.939 19.318 ( 0.445 0.000 -12.498) 12.506 25.799 ( 0.465 -0.000 -2.366) 2.411 26.126 ( -19.817 0.000 10.023) 22.207 26.898 ( 11.393 -0.000 0.461) 11.403 27.100 ( -0.164 -0.000 1.732) 1.739 27.821 ( 0.176 0.000 -4.818) 4.822 28.014 ( -7.657 0.000 8.478) 11.424 29.529 ( -3.106 0.000 10.278) 10.737 32.372 ( 14.422 -0.000 -8.893) 16.943 ======================= Grid point 237 (80/126) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -12.665 -12.665 -37.394) 41.462 2.941 ( -17.762 -17.762 -35.804) 43.736 4.489 ( -4.529 -4.529 -16.287) 17.501 5.328 ( -1.105 -1.105 3.326) 3.675 5.386 ( -5.997 -5.997 18.902) 20.717 5.533 ( -1.980 -1.980 -7.356) 7.871 5.583 ( 1.469 1.469 0.975) 2.295 5.915 ( -13.557 -13.557 -49.849) 53.408 7.050 ( -3.859 -3.859 -0.843) 5.522 7.470 ( -0.755 -0.755 -9.390) 9.450 7.818 ( -3.751 -3.751 -7.636) 9.298 8.561 ( 4.770 4.770 -4.297) 7.998 8.655 ( -2.036 -2.036 -3.637) 4.639 10.079 ( 7.873 7.873 9.347) 14.537 10.178 ( 5.690 5.690 3.361) 8.721 10.458 ( -4.615 -4.615 11.813) 13.496 10.943 ( 6.676 6.676 13.713) 16.649 11.012 ( 11.049 11.049 0.493) 15.633 11.199 ( 2.228 2.228 0.407) 3.177 11.941 ( -9.828 -9.828 27.927) 31.195 13.195 ( 2.891 2.891 -21.341) 21.729 13.238 ( 1.476 1.476 -21.204) 21.307 13.498 ( 0.640 0.640 -3.390) 3.508 14.888 ( -0.175 -0.175 12.944) 12.947 14.966 ( -4.766 -4.766 17.083) 18.364 15.148 ( 0.361 0.361 17.677) 17.684 18.420 ( 4.960 4.960 -0.829) 7.063 19.314 ( 2.259 2.259 -13.351) 13.728 25.785 ( 1.438 1.438 -1.976) 2.835 25.996 ( -12.737 -12.737 4.627) 18.598 26.942 ( 9.881 9.881 1.684) 14.075 27.146 ( -3.396 -3.396 0.735) 4.859 27.831 ( -0.636 -0.636 -5.908) 5.976 27.942 ( -4.823 -4.823 10.575) 12.585 29.508 ( -2.037 -2.037 10.473) 10.862 32.476 ( 9.098 9.098 -6.993) 14.644 ======================= Grid point 238 (81/126) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -5.065 0.000 -41.577) 41.885 2.296 ( -30.589 0.000 -39.478) 49.942 4.222 ( -6.766 0.000 -13.338) 14.956 4.472 ( -12.322 0.000 -82.956) 83.866 5.512 ( -3.410 0.000 7.361) 8.112 5.531 ( -5.297 0.000 5.813) 7.864 5.739 ( 2.833 -0.000 19.581) 19.785 5.835 ( -11.264 0.000 19.054) 22.134 6.911 ( -2.575 0.000 -13.090) 13.341 7.330 ( -0.368 0.000 -8.227) 8.235 7.681 ( -3.964 0.000 -6.697) 7.782 8.527 ( -0.779 0.000 -8.545) 8.580 8.530 ( -1.110 0.000 -5.421) 5.534 10.211 ( 14.612 -0.000 5.328) 15.553 10.320 ( -0.041 -0.000 3.436) 3.436 10.686 ( -1.183 -0.000 21.289) 21.322 11.047 ( 14.168 -0.000 -4.386) 14.832 11.123 ( 5.906 -0.000 -1.076) 6.003 11.254 ( 0.550 -0.000 7.237) 7.258 12.234 ( -15.100 0.000 22.018) 26.698 12.855 ( 4.610 -0.000 -24.180) 24.615 12.883 ( 0.799 0.000 -24.159) 24.173 13.528 ( 4.695 -0.000 3.148) 5.653 15.154 ( -1.512 -0.000 17.152) 17.218 15.166 ( -1.774 -0.000 16.413) 16.508 15.461 ( -1.133 -0.000 22.971) 22.999 18.434 ( 12.724 -0.000 -3.885) 13.304 19.078 ( 0.691 0.000 -19.842) 19.854 25.757 ( 0.297 0.000 -3.744) 3.756 25.935 ( -23.645 0.000 4.623) 24.093 27.075 ( 7.986 -0.000 3.370) 8.668 27.136 ( -0.150 -0.000 3.061) 3.064 27.734 ( -0.821 0.000 -5.475) 5.536 28.082 ( -4.504 0.000 11.643) 12.484 29.664 ( -1.734 0.000 11.325) 11.457 32.424 ( 13.997 -0.000 -9.842) 17.111 ======================= Grid point 249 (82/126) ======================= q-point: (-0.09 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 0.000 -44.972) 44.972 1.400 ( 0.000 0.000 -44.972) 44.972 2.999 ( 0.000 0.000 -94.999) 94.999 3.996 ( 0.000 0.000 -9.382) 9.382 5.596 ( -0.000 -0.000 7.222) 7.222 5.596 ( -0.000 -0.000 7.222) 7.222 6.074 ( -0.000 -0.000 20.947) 20.947 6.074 ( -0.000 -0.000 20.947) 20.947 6.670 ( 0.000 0.000 -15.302) 15.302 7.216 ( 0.000 0.000 -6.178) 6.178 7.566 ( 0.000 0.000 -4.851) 4.851 8.371 ( 0.000 0.000 -11.014) 11.014 8.371 ( 0.000 0.000 -11.014) 11.014 10.371 ( -0.000 -0.000 2.969) 2.969 10.371 ( -0.000 -0.000 2.969) 2.969 11.027 ( -0.000 -0.000 20.919) 20.919 11.053 ( 0.000 0.000 -8.312) 8.312 11.053 ( 0.000 0.000 -8.312) 8.312 11.411 ( -0.000 -0.000 8.190) 8.190 12.365 ( -0.000 -0.000 13.301) 13.301 12.566 ( 0.000 0.000 -17.576) 17.576 12.566 ( 0.000 0.000 -17.576) 17.576 13.666 ( -0.000 -0.000 6.037) 6.037 15.378 ( -0.000 -0.000 13.210) 13.210 15.378 ( -0.000 -0.000 13.210) 13.210 15.830 ( -0.000 -0.000 25.817) 25.817 18.533 ( 0.000 0.000 -0.126) 0.126 18.748 ( 0.000 0.000 -23.608) 23.608 25.701 ( 0.000 0.000 -3.645) 3.645 25.701 ( 0.000 0.000 -3.645) 3.645 27.183 ( -0.000 -0.000 3.049) 3.049 27.183 ( -0.000 -0.000 3.049) 3.049 27.651 ( 0.000 0.000 -4.128) 4.128 28.231 ( -0.000 -0.000 10.886) 10.886 29.811 ( -0.000 -0.000 9.199) 9.199 32.430 ( 0.000 0.000 -6.159) 6.159 ======================= Grid point 274 (83/126) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( 15.835 15.835 17.848) 28.636 4.956 ( 13.858 13.858 14.644) 24.464 5.267 ( 11.145 11.145 1.165) 15.805 5.342 ( -0.219 -0.219 -3.918) 3.930 5.818 ( 10.742 10.742 -13.094) 20.056 6.216 ( 11.132 11.132 -0.126) 15.744 6.224 ( 9.830 9.830 -17.881) 22.649 7.181 ( -8.494 -8.494 10.014) 15.639 7.281 ( 13.926 13.926 37.522) 42.376 7.628 ( -8.728 -8.728 -1.978) 12.501 7.882 ( 8.268 8.268 15.543) 19.450 8.544 ( 5.879 5.879 12.351) 14.889 8.673 ( 0.555 0.555 -9.866) 9.897 9.546 ( -6.346 -6.346 -0.267) 8.979 9.570 ( -7.292 -7.292 1.366) 10.403 9.929 ( -15.124 -15.124 -6.737) 22.425 10.316 ( -2.372 -2.372 0.751) 3.438 10.503 ( -4.233 -4.233 -5.540) 8.157 10.912 ( 1.651 1.651 -1.644) 2.856 11.593 ( -11.835 -11.835 -10.235) 19.619 13.087 ( -0.562 -0.562 5.885) 5.938 13.237 ( -2.691 -2.691 8.567) 9.374 14.004 ( 14.176 14.176 -7.041) 21.249 14.868 ( -3.784 -3.784 -4.540) 7.018 14.982 ( -2.085 -2.085 -9.108) 9.573 15.050 ( -2.429 -2.429 -2.169) 4.062 18.214 ( 3.449 3.449 8.411) 9.723 18.836 ( -8.804 -8.804 10.420) 16.236 25.624 ( -0.663 -0.663 -1.468) 1.742 25.952 ( -9.094 -9.094 -6.084) 14.227 27.334 ( 11.901 11.901 -17.024) 23.940 27.615 ( 4.861 4.861 1.428) 7.021 27.939 ( 1.415 1.415 -0.735) 2.131 28.118 ( -1.477 -1.477 -2.325) 3.125 30.018 ( 11.300 11.300 -4.335) 16.559 31.267 ( -16.864 -16.864 12.795) 27.065 ======================= Grid point 275 (84/126) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 8.266 7.453 8.728) 14.144 5.081 ( -4.789 -4.336 -0.301) 6.467 5.394 ( 9.000 4.658 5.146) 11.365 5.427 ( 3.597 5.124 0.387) 6.272 5.762 ( 34.472 2.468 -7.665) 35.400 6.031 ( 17.004 -1.482 -4.451) 17.640 6.522 ( -9.399 24.588 -2.939) 26.487 7.081 ( -17.251 -16.835 2.655) 24.250 7.540 ( 10.642 -2.484 1.386) 11.016 7.902 ( 5.525 8.129 16.679) 19.359 8.165 ( 11.260 3.985 8.738) 14.799 8.532 ( -6.165 -2.186 -5.266) 8.398 8.798 ( 8.519 7.464 5.886) 12.764 9.454 ( -4.775 -4.381 0.434) 6.495 9.531 ( -10.993 -2.931 1.827) 11.523 9.631 ( -15.097 -8.922 -7.445) 19.051 10.280 ( 2.944 -1.476 -1.051) 3.457 10.420 ( -4.595 -0.222 -1.984) 5.010 10.930 ( 2.222 2.726 -0.450) 3.545 11.287 ( -7.119 -7.663 -7.271) 12.739 13.142 ( -1.359 -0.828 2.929) 3.333 13.325 ( -8.248 -1.124 4.296) 9.367 14.095 ( 12.925 7.739 -1.539) 15.143 14.620 ( -7.243 -5.367 -8.079) 12.105 14.949 ( 5.677 -3.539 2.343) 7.088 15.058 ( -0.562 4.108 -1.441) 4.390 18.344 ( 7.137 1.833 3.161) 8.018 18.850 ( -14.350 -3.819 3.430) 15.241 25.609 ( -1.127 0.412 -0.369) 1.256 25.785 ( -8.404 -4.132 -2.814) 9.778 27.280 ( 13.565 4.629 -5.598) 15.388 27.652 ( 0.088 1.234 -0.954) 1.562 27.972 ( 2.546 0.902 1.912) 3.309 28.073 ( -0.790 -0.938 -1.341) 1.817 30.092 ( 21.657 5.357 -1.843) 22.386 31.225 ( -25.075 -7.157 4.435) 26.451 ======================= Grid point 281 (85/126) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 25.549 -0.000 -0.000) 25.549 2.718 ( 45.126 -0.000 -0.000) 45.126 4.475 ( 65.776 -0.000 -0.000) 65.776 4.766 ( 28.224 -0.000 -0.000) 28.224 6.124 ( 8.202 -0.000 -0.000) 8.202 6.154 ( -6.861 0.000 0.000) 6.861 6.331 ( 15.207 -0.000 -0.000) 15.207 6.551 ( 6.984 -0.000 -0.000) 6.984 6.952 ( 6.461 -0.000 -0.000) 6.461 7.155 ( 1.481 -0.000 -0.000) 1.481 7.757 ( 7.961 -0.000 -0.000) 7.961 8.127 ( 0.655 -0.000 -0.000) 0.655 9.295 ( -17.680 0.000 0.000) 17.680 9.499 ( -15.501 0.000 0.000) 15.501 10.211 ( 1.392 -0.000 -0.000) 1.392 10.339 ( -4.912 0.000 0.000) 4.912 10.673 ( -28.048 0.000 0.000) 28.048 10.781 ( -4.118 0.000 0.000) 4.118 10.973 ( -16.327 0.000 0.000) 16.327 11.061 ( -14.124 0.000 0.000) 14.124 12.198 ( -2.925 0.000 0.000) 2.925 13.619 ( 24.148 -0.000 -0.000) 24.148 14.304 ( 23.798 -0.000 -0.000) 23.798 14.449 ( -33.466 0.000 0.000) 33.466 15.738 ( 4.846 -0.000 -0.000) 4.846 16.167 ( -8.844 0.000 0.000) 8.844 17.593 ( 5.716 -0.000 -0.000) 5.716 18.297 ( 0.107 -0.000 -0.000) 0.107 25.614 ( -0.756 0.000 0.000) 0.756 26.736 ( -12.685 0.000 0.000) 12.685 27.261 ( 1.199 -0.000 -0.000) 1.199 27.631 ( -1.615 0.000 0.000) 1.615 28.148 ( -9.751 0.000 0.000) 9.751 29.117 ( -19.732 0.000 0.000) 19.732 29.668 ( 21.990 -0.000 -0.000) 21.990 30.695 ( 8.172 -0.000 -0.000) 8.172 ======================= Grid point 286 (86/126) ======================= q-point: (-0.73 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( 4.502 4.502 0.475) 6.385 4.966 ( -5.109 -5.109 -3.732) 8.132 5.468 ( 1.188 1.188 1.102) 2.009 5.488 ( -0.560 -0.560 3.970) 4.048 6.145 ( 15.783 15.783 4.600) 22.790 6.267 ( 5.302 5.302 1.217) 7.596 6.397 ( 10.404 10.404 -1.930) 14.840 6.849 ( -19.823 -19.823 2.290) 28.127 7.638 ( 14.593 14.593 -12.332) 24.041 7.990 ( -7.863 -7.863 -6.120) 12.692 8.342 ( 2.709 2.709 -1.045) 3.971 8.356 ( 0.355 0.355 -9.885) 9.898 9.025 ( 7.194 7.194 6.705) 12.185 9.287 ( -11.180 -11.180 -2.536) 16.013 9.439 ( -2.632 -2.632 -0.493) 3.754 9.458 ( -3.945 -3.945 1.476) 5.771 10.308 ( 2.448 2.448 0.291) 3.475 10.374 ( -2.230 -2.230 0.943) 3.291 11.005 ( 4.659 4.659 3.822) 7.618 11.142 ( -4.958 -4.958 1.066) 7.093 13.136 ( 2.134 2.134 -4.128) 5.114 13.248 ( -5.795 -5.795 -1.358) 8.307 14.302 ( 7.002 7.002 8.304) 12.924 14.470 ( -5.213 -5.213 2.535) 7.797 14.965 ( 5.245 5.245 -5.638) 9.318 15.083 ( -3.020 -3.020 1.898) 4.674 18.453 ( 6.464 6.464 -2.345) 9.438 18.675 ( -9.412 -9.412 -3.313) 13.717 25.621 ( 0.787 0.787 1.992) 2.282 25.680 ( -3.536 -3.536 0.475) 5.024 27.430 ( 8.993 8.993 3.885) 13.298 27.635 ( -5.551 -5.551 5.242) 9.440 28.019 ( 1.315 1.315 -0.045) 1.860 28.040 ( -0.026 -0.026 -2.018) 2.018 30.360 ( 19.768 19.768 -2.864) 28.103 30.922 ( -20.550 -20.550 -0.735) 29.072 ======================= Grid point 288 (87/126) ======================= q-point: (-0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( 12.277 -12.277 -7.728) 19.004 4.970 ( -7.564 7.564 -3.099) 11.137 5.489 ( 5.365 -5.365 1.692) 7.774 5.500 ( 4.623 -4.623 3.775) 7.550 6.151 ( 13.180 -13.180 5.095) 19.324 6.387 ( -0.347 0.347 7.765) 7.780 6.505 ( 9.504 -9.504 4.498) 14.174 6.810 ( -14.612 14.612 0.831) 20.682 7.552 ( 4.991 -4.991 -28.969) 29.817 7.569 ( 1.678 -1.678 -13.799) 14.002 8.100 ( 7.908 -7.908 -15.016) 18.723 8.352 ( -10.372 10.372 -10.948) 18.303 8.999 ( 14.536 -14.536 6.278) 21.495 9.348 ( -9.088 9.088 1.410) 12.929 9.433 ( -1.669 1.669 -0.086) 2.362 9.544 ( -10.909 10.909 4.748) 16.142 10.311 ( 1.642 -1.642 -1.666) 2.858 10.387 ( -3.706 3.706 0.066) 5.241 11.035 ( 6.953 -6.953 3.662) 10.493 11.279 ( -10.535 10.535 6.014) 16.067 13.098 ( 1.412 -1.412 -2.777) 3.420 13.159 ( -2.753 2.753 -3.649) 5.337 14.377 ( 12.565 -12.565 11.444) 21.137 14.680 ( -9.284 9.284 13.417) 18.773 14.966 ( 0.360 -0.360 -4.616) 4.644 14.992 ( -1.584 1.584 -4.276) 4.828 18.362 ( 7.098 -7.098 -7.885) 12.765 18.587 ( -8.959 8.959 -8.754) 15.400 25.642 ( 2.133 -2.133 3.185) 4.387 25.748 ( -5.651 5.651 4.761) 9.303 27.591 ( 6.633 -6.633 13.385) 16.344 27.687 ( -0.207 0.207 5.493) 5.500 27.984 ( 2.163 -2.163 0.450) 3.091 28.056 ( -2.776 2.776 0.019) 3.925 30.376 ( 14.593 -14.593 -2.060) 20.740 30.807 ( -16.459 16.459 -8.406) 24.748 ======================= Grid point 292 (88/126) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 19.891 -46.523 -0.000) 50.597 3.365 ( 40.013 -7.481 -0.000) 40.706 5.197 ( 29.160 -3.944 -0.000) 29.425 5.264 ( 44.093 -0.602 -0.000) 44.097 6.053 ( -0.614 4.234 0.000) 4.279 6.257 ( 4.175 -7.526 -0.000) 8.606 6.483 ( -0.315 -2.040 -0.000) 2.064 6.713 ( 13.000 -2.454 -0.000) 13.229 7.005 ( 2.048 -2.346 -0.000) 3.114 7.166 ( 1.863 2.244 0.000) 2.916 7.839 ( 4.227 2.461 -0.000) 4.891 8.055 ( 2.066 12.442 0.000) 12.612 9.140 ( -5.239 -2.562 0.000) 5.832 9.310 ( -18.137 -7.515 0.000) 19.632 10.131 ( -4.237 10.034 0.000) 10.891 10.228 ( -22.069 6.560 0.000) 23.023 10.307 ( -2.187 -3.723 -0.000) 4.318 10.690 ( -11.820 3.377 0.000) 12.293 10.830 ( -7.953 -2.117 0.000) 8.230 10.841 ( -12.396 4.953 0.000) 13.349 12.216 ( -2.808 -8.977 -0.000) 9.405 13.980 ( -35.209 -0.748 0.000) 35.217 14.017 ( 23.082 -9.803 -0.000) 25.078 14.611 ( 25.974 4.682 -0.000) 26.393 15.725 ( 5.041 11.466 0.000) 12.525 16.023 ( -11.049 1.601 0.000) 11.164 17.681 ( 5.628 -1.440 -0.000) 5.809 18.255 ( -1.006 4.721 0.000) 4.827 25.620 ( -0.444 -2.372 -0.000) 2.413 26.510 ( -13.455 5.897 0.000) 14.691 27.282 ( 1.889 -0.598 -0.000) 1.981 27.695 ( -1.729 -11.879 -0.000) 12.004 27.993 ( -11.308 1.237 0.000) 11.376 28.881 ( -21.380 -5.399 0.000) 22.051 29.973 ( 22.574 0.866 -0.000) 22.591 30.744 ( 8.509 8.504 -0.000) 12.030 ======================= Grid point 293 (89/126) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 21.585 -0.000 15.073) 26.327 3.443 ( 38.193 -0.000 16.278) 41.517 5.163 ( 29.109 -0.000 -0.807) 29.120 5.406 ( 44.688 -0.000 18.720) 48.451 5.991 ( -1.697 0.000 -9.866) 10.011 6.117 ( 0.638 0.000 -11.749) 11.766 6.489 ( 13.043 -0.000 -21.962) 25.543 6.598 ( 3.171 -0.000 14.624) 14.963 6.983 ( -0.219 0.000 -0.635) 0.672 7.221 ( 3.328 -0.000 4.655) 5.722 7.997 ( 10.830 -0.000 13.198) 17.073 8.201 ( 0.262 -0.000 7.986) 7.990 8.982 ( -15.800 0.000 -27.830) 32.003 9.142 ( -6.752 0.000 1.093) 6.840 10.064 ( -9.205 0.000 -4.146) 10.096 10.220 ( -10.868 0.000 -2.306) 11.110 10.684 ( -7.531 0.000 -3.587) 8.341 10.716 ( -14.826 0.000 27.352) 31.111 10.822 ( -13.460 0.000 6.447) 14.924 10.917 ( -9.504 0.000 4.725) 10.613 12.234 ( -2.532 0.000 9.827) 10.148 13.868 ( 8.610 -0.000 -7.599) 11.484 13.998 ( -14.175 0.000 0.285) 14.177 14.599 ( 18.282 -0.000 -5.466) 19.081 15.754 ( 5.258 -0.000 -7.108) 8.841 15.911 ( -9.867 0.000 -13.920) 17.062 17.701 ( 4.698 -0.000 4.192) 6.296 18.443 ( -1.130 -0.000 18.083) 18.118 25.619 ( -0.846 0.000 1.975) 2.149 26.522 ( -14.089 0.000 -3.858) 14.608 27.267 ( 1.685 -0.000 -1.867) 2.515 27.591 ( -1.411 0.000 -1.962) 2.417 28.022 ( -9.453 0.000 1.894) 9.641 28.619 ( -9.271 0.000 -25.823) 27.437 29.902 ( 12.416 -0.000 -7.497) 14.504 31.027 ( 7.017 -0.000 24.072) 25.074 ======================= Grid point 303 (90/126) ======================= q-point: (-0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 14.725 -58.949 -0.000) 60.760 3.987 ( 32.089 -9.711 -0.000) 33.526 5.506 ( -0.460 8.026 0.000) 8.039 5.610 ( 19.751 -1.478 -0.000) 19.806 6.178 ( 22.103 1.555 -0.000) 22.158 6.276 ( -28.435 -3.200 0.000) 28.615 6.463 ( 4.363 -13.984 -0.000) 14.649 6.953 ( 15.650 -2.818 -0.000) 15.902 7.135 ( 1.912 6.338 0.000) 6.621 7.167 ( 11.921 -5.960 -0.000) 13.328 7.723 ( -4.870 14.256 0.000) 15.065 7.903 ( 0.688 11.565 0.000) 11.585 9.237 ( -15.284 -15.828 -0.000) 22.003 9.239 ( 10.199 -5.760 -0.000) 11.713 9.874 ( -10.372 11.151 0.000) 15.229 9.934 ( -7.949 5.816 0.000) 9.850 10.335 ( -0.821 -1.876 -0.000) 2.047 10.449 ( -10.118 8.726 0.000) 13.361 10.604 ( -7.360 8.359 0.000) 11.138 10.716 ( -6.617 3.713 0.000) 7.588 12.379 ( -2.585 -19.990 -0.000) 20.156 13.511 ( -34.859 -1.361 0.000) 34.885 14.496 ( 20.362 -15.524 -0.000) 25.605 14.897 ( 27.333 6.730 -0.000) 28.150 15.581 ( 3.452 17.403 0.000) 17.742 15.805 ( -11.560 7.881 0.000) 13.991 17.785 ( 5.734 -2.275 -0.000) 6.169 18.153 ( -1.956 6.707 0.000) 6.987 25.674 ( 0.806 -5.315 -0.000) 5.376 26.234 ( -12.853 6.977 0.000) 14.625 27.343 ( 2.631 -3.950 -0.000) 4.746 27.811 ( -11.453 2.226 0.000) 11.667 27.884 ( -1.822 -18.316 -0.000) 18.406 28.654 ( -23.090 -5.602 0.000) 23.760 30.250 ( 21.348 3.066 -0.000) 21.567 30.712 ( 8.754 13.256 0.000) 15.885 ======================= Grid point 304 (91/126) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 17.500 -40.142 10.759) 45.093 3.974 ( 32.375 -5.409 11.787) 34.876 5.565 ( 23.160 -0.481 -2.813) 23.335 5.639 ( -3.077 5.045 2.442) 6.394 6.146 ( 17.815 -1.152 0.544) 17.860 6.195 ( 3.972 -8.918 -11.453) 15.050 6.427 ( -23.678 -0.757 16.268) 28.738 6.693 ( 13.035 -1.903 -22.629) 26.184 7.072 ( 11.432 0.463 -3.316) 11.913 7.284 ( 7.327 -0.578 7.893) 10.785 8.029 ( -3.865 14.903 11.001) 18.923 8.118 ( 7.170 8.759 8.208) 13.982 8.853 ( -16.361 -16.492 -17.501) 29.085 9.199 ( 9.973 -3.550 2.069) 10.786 9.941 ( -7.098 3.070 -1.537) 7.884 9.995 ( -14.291 3.584 -2.642) 14.968 10.446 ( -5.617 8.931 6.365) 12.322 10.629 ( -10.493 -0.872 13.219) 16.900 10.687 ( -6.613 1.434 1.802) 7.002 10.796 ( -6.663 1.167 5.995) 9.039 12.248 ( -2.048 -7.126 8.731) 11.455 13.526 ( -32.706 -1.097 3.856) 32.951 14.271 ( 19.885 -8.920 -6.694) 22.799 14.874 ( 23.939 4.284 -12.034) 27.134 15.712 ( -4.606 7.476 -7.997) 11.877 15.802 ( -1.345 3.857 -8.889) 9.782 17.776 ( 4.510 -1.422 2.839) 5.515 18.387 ( -1.387 4.950 18.001) 18.721 25.625 ( -0.410 -2.595 1.409) 2.981 26.287 ( -14.263 4.666 -3.657) 15.446 27.307 ( 2.139 -2.208 -0.490) 3.113 27.640 ( -1.479 -8.806 -3.346) 9.536 27.880 ( -10.948 -0.607 5.112) 12.097 28.469 ( -16.044 -3.693 -15.197) 22.405 30.093 ( 15.490 1.686 -17.609) 23.513 31.090 ( 9.654 6.991 23.275) 26.150 ======================= Grid point 305 (92/126) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 16.734 -0.000 21.980) 27.625 4.188 ( 28.165 -0.000 20.634) 34.915 5.488 ( 20.583 -0.000 -6.040) 21.451 5.664 ( -13.920 0.000 -5.709) 15.046 5.801 ( 2.623 0.000 -25.581) 25.715 6.330 ( 10.816 -0.000 -21.613) 24.169 6.332 ( 24.355 -0.000 19.851) 31.420 6.699 ( -26.271 0.000 18.395) 32.071 7.066 ( 14.869 -0.000 2.254) 15.039 7.384 ( 7.105 -0.000 6.595) 9.694 8.297 ( 8.021 -0.000 4.657) 9.275 8.346 ( -13.446 0.000 -22.852) 26.514 8.424 ( 4.003 -0.000 18.647) 19.072 9.213 ( 9.343 -0.000 3.007) 9.814 9.966 ( -3.071 0.000 2.385) 3.888 9.971 ( -17.849 0.000 -2.759) 18.061 10.515 ( -6.122 0.000 -4.758) 7.754 10.716 ( -4.811 0.000 0.307) 4.820 10.889 ( -17.997 0.000 19.146) 26.277 10.915 ( -5.857 0.000 7.518) 9.530 12.423 ( -1.931 -0.000 18.666) 18.765 13.604 ( -26.973 0.000 7.757) 28.067 14.063 ( 16.786 -0.000 -12.701) 21.050 14.674 ( 18.260 -0.000 -16.736) 24.770 15.569 ( -6.761 0.000 -13.541) 15.135 15.667 ( 5.111 -0.000 -13.752) 14.671 17.843 ( 3.306 -0.000 7.121) 7.852 18.749 ( -1.241 -0.000 22.703) 22.737 25.648 ( -0.888 0.000 3.386) 3.500 26.256 ( -14.231 0.000 -4.414) 14.900 27.251 ( 1.979 -0.000 -3.415) 3.947 27.547 ( 0.420 -0.000 -3.330) 3.356 27.930 ( -7.982 0.000 -0.306) 7.988 28.167 ( -7.535 0.000 -16.052) 17.732 29.853 ( 7.224 -0.000 -14.528) 16.225 31.494 ( 8.198 -0.000 21.969) 23.448 ======================= Grid point 314 (93/126) ======================= q-point: (-0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.171 ( 9.888 -47.514 -0.000) 48.532 4.449 ( 13.588 -5.763 -0.000) 14.760 5.291 ( -8.679 5.726 0.000) 10.397 5.446 ( -32.043 3.687 0.000) 32.254 6.224 ( 8.300 -6.738 -0.000) 10.691 6.354 ( 6.650 5.744 -0.000) 8.788 6.753 ( 8.980 -13.669 -0.000) 16.354 7.021 ( -2.803 10.975 0.000) 11.328 7.191 ( 13.776 -2.031 -0.000) 13.925 7.425 ( -5.613 14.745 0.000) 15.778 7.440 ( 13.395 -7.300 -0.000) 15.255 7.709 ( -5.632 11.939 0.000) 13.201 9.323 ( -5.632 -17.197 -0.000) 18.096 9.484 ( 1.769 -3.833 -0.000) 4.222 9.617 ( 0.565 3.607 0.000) 3.651 9.802 ( -0.064 10.455 0.000) 10.455 10.228 ( -2.792 5.816 0.000) 6.451 10.270 ( -3.717 6.212 0.000) 7.239 10.500 ( 2.162 0.396 -0.000) 2.198 10.580 ( -3.857 4.716 0.000) 6.093 12.679 ( -2.298 -27.935 -0.000) 28.029 13.068 ( -32.544 -1.871 0.000) 32.598 14.974 ( 16.251 -16.147 -0.000) 22.909 15.181 ( 27.039 5.924 -0.000) 27.680 15.345 ( -4.035 17.015 0.000) 17.487 15.495 ( -5.729 18.649 0.000) 19.509 17.901 ( 6.227 -2.650 -0.000) 6.768 18.028 ( -2.555 6.820 0.000) 7.283 25.793 ( 2.895 -8.355 -0.000) 8.842 25.983 ( -11.021 5.309 0.000) 12.233 27.461 ( 3.062 -7.468 -0.000) 8.071 27.625 ( -10.121 2.921 0.000) 10.534 28.132 ( -2.559 -21.791 -0.000) 21.941 28.400 ( -23.343 -4.026 0.000) 23.688 30.469 ( 19.154 5.624 -0.000) 19.963 30.622 ( 7.743 16.468 0.000) 18.198 ======================= Grid point 315 (94/126) ======================= q-point: (-0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 13.175 -54.596 6.880) 56.583 4.434 ( 20.470 -5.888 8.646) 22.988 5.273 ( -29.422 9.109 -7.854) 31.786 5.711 ( -8.357 7.032 8.176) 13.643 6.163 ( 2.474 -8.306 8.838) 12.378 6.414 ( 6.453 -0.248 -3.041) 7.138 6.452 ( 8.292 -13.120 -7.184) 17.102 6.861 ( 8.290 0.383 -22.892) 24.350 7.144 ( 5.874 7.150 -8.179) 12.350 7.498 ( 15.566 -5.046 12.772) 20.758 7.671 ( -6.928 18.628 1.925) 19.968 8.039 ( -1.422 10.053 18.358) 20.979 8.975 ( -4.583 -20.397 -8.402) 22.530 9.437 ( 10.174 -2.936 0.869) 10.625 9.670 ( -11.240 4.373 -1.835) 12.199 9.924 ( 3.522 3.912 2.307) 5.747 10.263 ( -4.035 8.368 -3.483) 9.922 10.452 ( -6.649 8.034 7.347) 12.757 10.613 ( -2.508 -0.132 10.508) 10.804 10.697 ( -4.742 1.678 6.726) 8.399 12.378 ( -2.004 -15.260 4.067) 15.919 13.114 ( -30.300 -3.134 8.470) 31.617 14.677 ( 16.083 -12.830 -10.648) 23.165 15.110 ( 19.508 6.759 -16.944) 26.709 15.511 ( -7.376 7.548 -3.962) 11.273 15.702 ( 4.353 13.629 -4.034) 14.865 17.857 ( 3.230 -2.151 1.150) 4.047 18.291 ( 0.145 6.850 18.572) 19.796 25.687 ( 0.993 -6.029 0.088) 6.111 26.031 ( -12.561 4.903 -2.830) 13.777 27.388 ( 2.111 -5.167 1.026) 5.675 27.671 ( -8.194 -0.359 1.076) 8.272 27.843 ( -4.119 -13.645 -1.190) 14.303 28.285 ( -18.803 -4.827 -7.931) 20.970 30.251 ( 13.471 5.078 -23.483) 27.545 31.112 ( 11.608 10.856 24.225) 28.973 ======================= Grid point 316 (95/126) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 13.847 -34.016 17.642) 40.744 4.559 ( 21.229 -3.301 16.268) 26.949 5.317 ( -30.937 5.943 -1.447) 31.536 5.633 ( -1.095 -2.668 -18.817) 19.036 6.036 ( 19.840 -5.456 -15.891) 25.998 6.226 ( -25.185 -2.979 -2.156) 25.452 6.482 ( 8.948 -1.987 -23.624) 25.339 6.643 ( 6.800 -1.001 29.533) 30.322 7.190 ( 9.184 10.487 -3.626) 14.404 7.566 ( 13.539 -7.611 7.786) 17.374 7.957 ( -4.818 19.030 -0.384) 19.635 8.410 ( -4.629 2.077 13.206) 14.147 8.618 ( 6.024 -15.455 0.549) 16.596 9.425 ( 15.654 -2.643 1.912) 15.991 9.689 ( -17.081 2.916 -0.782) 17.346 9.985 ( 4.886 -0.622 3.745) 6.188 10.352 ( -5.570 10.328 -3.751) 12.319 10.634 ( -4.641 3.428 3.606) 6.804 10.747 ( -10.185 -5.398 12.326) 16.876 10.823 ( -4.099 2.242 7.581) 8.905 12.421 ( -1.507 -3.292 16.946) 17.328 13.232 ( -27.804 -2.882 12.800) 30.745 14.331 ( 14.590 -5.860 -17.288) 23.368 14.889 ( 14.712 3.181 -19.960) 24.999 15.474 ( -2.536 3.737 -9.682) 10.684 15.702 ( 4.797 4.633 -12.407) 14.086 17.893 ( 2.037 -1.579 6.702) 7.181 18.702 ( 0.287 5.013 22.664) 23.213 25.650 ( -0.314 -2.012 2.528) 3.246 26.039 ( -12.819 3.345 -3.328) 13.660 27.312 ( 1.731 -4.344 -3.011) 5.562 27.582 ( -0.241 -4.299 -2.959) 5.224 27.815 ( -10.915 -2.842 4.796) 12.256 28.056 ( -10.883 -2.518 -12.291) 16.609 29.960 ( 9.047 1.818 -20.480) 22.463 31.580 ( 10.640 6.197 21.083) 24.415 ======================= Grid point 317 (96/126) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 12.363 -0.000 23.367) 26.436 4.826 ( 18.361 -0.000 20.661) 27.640 5.225 ( -5.639 0.000 -27.026) 27.608 5.350 ( -20.709 0.000 -1.942) 20.799 5.787 ( 20.804 -0.000 -12.443) 24.241 6.110 ( 7.561 -0.000 -22.959) 24.172 6.152 ( -42.835 0.000 -2.972) 42.938 7.001 ( 6.994 -0.000 6.461) 9.522 7.317 ( 2.960 -0.000 16.850) 17.108 7.580 ( 9.108 -0.000 3.257) 9.672 8.109 ( 5.702 -0.000 1.989) 6.039 8.453 ( 1.941 -0.000 7.387) 7.638 8.665 ( 0.940 -0.000 3.405) 3.532 9.415 ( 13.999 -0.000 0.071) 13.999 9.764 ( -11.691 0.000 7.610) 13.950 10.042 ( 5.748 -0.000 4.742) 7.452 10.379 ( -4.732 0.000 -3.568) 5.926 10.662 ( -3.959 0.000 -1.268) 4.157 10.857 ( -11.753 0.000 7.796) 14.104 10.969 ( -3.637 0.000 8.076) 8.858 12.728 ( -1.712 -0.000 24.025) 24.086 13.426 ( -24.360 0.000 14.921) 28.566 14.006 ( 11.729 -0.000 -19.761) 22.980 14.642 ( 12.674 -0.000 -13.503) 18.519 15.339 ( 0.039 0.000 -11.675) 11.675 15.479 ( 4.298 -0.000 -19.271) 19.745 18.002 ( 2.207 -0.000 8.483) 8.765 19.064 ( -0.098 -0.000 19.259) 19.259 25.694 ( -0.770 0.000 4.058) 4.130 26.029 ( -12.006 0.000 -0.875) 12.038 27.218 ( 1.865 -0.000 -4.377) 4.757 27.441 ( 0.699 0.000 -13.807) 13.825 27.778 ( -5.305 0.000 -2.154) 5.725 27.991 ( -8.078 0.000 3.394) 8.762 29.697 ( 3.618 -0.000 -15.025) 15.454 31.902 ( 9.839 -0.000 15.257) 18.155 ======================= Grid point 325 (97/126) ======================= q-point: ( 0.55 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( -16.208 -16.208 2.847) 23.097 4.450 ( -18.386 -18.386 14.643) 29.841 4.870 ( -2.375 -2.375 -15.001) 15.372 5.539 ( 0.198 0.198 17.146) 17.148 6.351 ( 0.922 0.922 4.368) 4.558 6.381 ( -1.152 -1.152 -3.210) 3.600 6.714 ( 1.588 1.588 -16.720) 16.871 6.867 ( 2.395 2.395 -10.559) 11.089 7.095 ( 4.313 4.313 -21.111) 21.974 7.461 ( 6.741 6.741 6.853) 11.741 7.758 ( 3.078 3.078 14.229) 14.879 7.860 ( 5.248 5.248 19.684) 21.037 9.223 ( -9.273 -9.273 -7.915) 15.318 9.278 ( -6.094 -6.094 -2.030) 8.854 9.785 ( 6.314 6.314 0.385) 8.937 9.853 ( 6.392 6.392 5.471) 10.567 10.176 ( 0.981 0.981 -3.910) 4.148 10.312 ( 3.872 3.872 4.482) 7.077 10.609 ( 0.703 0.703 9.262) 9.315 10.640 ( -2.403 -2.403 10.012) 10.573 12.528 ( -10.479 -10.479 -4.351) 15.445 12.869 ( -16.335 -16.335 16.316) 28.282 14.971 ( 3.007 3.007 -22.226) 22.629 15.130 ( -1.296 -1.296 -8.194) 8.396 15.414 ( 11.786 11.786 -7.426) 18.247 15.606 ( 10.845 10.845 2.558) 15.549 17.900 ( -0.218 -0.218 -0.473) 0.564 18.236 ( 4.423 4.423 19.765) 20.731 25.821 ( -3.141 -3.141 -1.703) 4.758 25.823 ( -3.376 -3.376 -1.249) 4.935 27.475 ( -3.000 -3.000 -0.606) 4.286 27.569 ( -3.137 -3.137 6.265) 7.677 27.970 ( -9.359 -9.359 -10.023) 16.602 28.140 ( -12.653 -12.653 -0.542) 17.902 30.310 ( 9.364 9.364 -25.625) 28.844 31.116 ( 12.227 12.227 24.948) 30.355 ======================= Grid point 327 (98/126) ======================= q-point: (-0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 10.439 -49.356 12.740) 52.031 4.641 ( -47.963 5.945 10.739) 49.509 4.834 ( 8.956 0.056 8.143) 12.104 5.588 ( -4.184 0.877 -15.223) 15.812 6.068 ( -13.419 -11.129 -19.535) 26.183 6.341 ( 11.659 -1.435 -17.347) 20.950 6.635 ( 7.480 -0.325 -6.272) 9.767 6.723 ( 7.190 -4.254 14.032) 16.331 7.014 ( -3.529 18.291 -8.521) 20.485 7.732 ( 4.032 10.250 9.672) 14.659 7.909 ( 15.717 -7.527 11.182) 20.706 8.236 ( -7.320 9.952 11.296) 16.740 8.897 ( 0.479 -16.564 -3.962) 17.038 9.351 ( -11.045 6.272 6.722) 14.370 9.770 ( 15.251 -4.829 -0.652) 16.011 10.058 ( 4.574 8.938 3.858) 10.756 10.153 ( -1.839 3.112 -2.545) 4.421 10.495 ( -1.145 8.398 6.175) 10.486 10.705 ( -6.703 -5.151 5.929) 10.325 10.773 ( -1.452 -0.134 10.228) 10.331 12.464 ( -2.179 -5.449 12.008) 13.365 12.965 ( -21.113 -9.265 18.146) 29.341 14.572 ( 8.481 -3.385 -25.686) 27.261 14.965 ( 1.619 1.368 -14.063) 14.222 15.422 ( 8.472 9.593 -11.412) 17.148 15.686 ( 5.027 6.517 -8.419) 11.774 17.932 ( -0.287 -1.995 6.514) 6.819 18.645 ( 3.609 6.209 22.533) 23.649 25.706 ( 1.189 -5.448 0.498) 5.598 25.838 ( -9.475 2.912 -1.547) 10.032 27.393 ( -0.227 -4.655 -3.772) 5.996 27.625 ( -3.981 -4.550 2.968) 6.736 27.740 ( -7.366 -5.925 -0.953) 9.501 27.954 ( -11.463 -6.108 -6.617) 14.577 30.032 ( 7.616 4.778 -23.321) 24.994 31.619 ( 11.333 9.902 20.700) 25.593 ======================= Grid point 328 (99/126) ======================= q-point: (-0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 10.048 -29.781 20.221) 37.373 4.860 ( -39.428 4.582 9.948) 40.921 5.060 ( 9.417 -0.544 15.233) 17.917 5.204 ( -5.689 -5.978 -23.445) 24.855 5.667 ( -25.804 -2.241 -18.023) 31.555 6.011 ( 5.777 -2.852 -20.534) 21.521 6.298 ( 17.892 -2.296 -21.609) 28.149 6.971 ( -1.705 9.385 -7.666) 12.237 7.294 ( -1.550 2.022 26.625) 26.747 7.789 ( 9.177 -9.292 0.814) 13.085 8.110 ( 9.563 9.800 11.564) 17.922 8.444 ( -7.099 3.663 4.426) 9.133 8.692 ( -2.448 -8.761 -1.129) 9.167 9.616 ( -0.209 4.091 15.172) 15.715 9.668 ( 12.350 -4.443 -1.570) 13.218 10.161 ( 7.126 -0.964 4.459) 8.462 10.226 ( -2.932 10.695 -2.238) 11.313 10.590 ( -5.993 -0.834 -1.790) 6.310 10.781 ( -3.849 0.287 9.351) 10.116 10.918 ( -1.712 0.080 9.628) 9.779 12.706 ( -1.306 0.089 22.393) 22.431 13.152 ( -20.105 -5.658 19.491) 28.568 14.152 ( 7.236 -1.258 -24.331) 25.415 14.773 ( 6.194 0.033 -11.404) 12.978 15.332 ( 5.568 6.422 -14.577) 16.874 15.534 ( 3.500 0.284 -17.214) 17.569 18.031 ( 0.294 -1.506 9.179) 9.306 19.043 ( 2.165 4.314 19.032) 19.634 25.692 ( -0.095 -1.134 3.217) 3.412 25.864 ( -8.915 2.029 0.619) 9.164 27.247 ( 0.800 -0.822 -8.189) 8.269 27.491 ( -2.484 -8.495 -7.885) 11.853 27.710 ( -7.979 -3.083 1.946) 8.773 27.885 ( -6.175 0.392 3.490) 7.104 29.748 ( 4.565 1.377 -18.933) 19.524 32.002 ( 10.596 5.767 15.108) 19.333 ======================= Grid point 329 (100/126) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 7.886 -0.000 16.026) 17.861 4.763 ( -4.556 0.000 -21.249) 21.732 5.073 ( -19.328 0.000 2.327) 19.468 5.129 ( -24.782 0.000 -1.845) 24.850 5.593 ( -12.043 0.000 8.438) 14.705 5.673 ( -2.016 0.000 -19.957) 20.059 5.960 ( 18.486 -0.000 -20.248) 27.418 6.887 ( -11.389 0.000 -5.333) 12.576 7.624 ( 0.461 -0.000 11.265) 11.275 7.705 ( 7.652 -0.000 -2.454) 8.036 8.364 ( 9.352 -0.000 8.813) 12.851 8.463 ( -10.209 0.000 -6.743) 12.235 8.630 ( -1.109 0.000 4.160) 4.305 9.565 ( 13.837 -0.000 -4.122) 14.438 9.934 ( 3.372 -0.000 18.825) 19.124 10.250 ( 9.781 -0.000 7.635) 12.408 10.279 ( -4.007 0.000 -1.333) 4.223 10.522 ( -6.924 0.000 -4.303) 8.152 10.942 ( 1.220 -0.000 12.437) 12.497 11.056 ( -1.468 0.000 7.743) 7.881 13.080 ( -1.558 -0.000 24.391) 24.441 13.374 ( -15.151 0.000 13.459) 20.266 13.833 ( 3.707 -0.000 -15.312) 15.754 14.649 ( 8.038 -0.000 -3.963) 8.961 15.167 ( 2.064 -0.000 -14.050) 14.201 15.209 ( 2.860 -0.000 -22.214) 22.397 18.155 ( 1.753 -0.000 7.957) 8.148 19.314 ( 1.279 -0.000 12.227) 12.294 25.747 ( -0.453 -0.000 3.880) 3.907 25.913 ( -8.592 0.000 4.078) 9.511 27.172 ( 1.333 -0.000 -4.461) 4.656 27.204 ( 0.825 0.000 -15.617) 15.639 27.743 ( -4.953 0.000 4.363) 6.601 27.962 ( -5.855 0.000 4.532) 7.404 29.519 ( 0.701 0.000 -11.536) 11.558 32.225 ( 10.677 -0.000 8.760) 13.811 ======================= Grid point 338 (101/126) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -17.764 -17.764 17.296) 30.500 4.190 ( -20.709 -20.709 15.323) 33.053 5.167 ( 2.978 2.978 17.128) 17.639 5.200 ( -4.479 -4.479 -25.747) 26.514 5.500 ( -12.163 -12.163 -23.213) 28.891 6.062 ( -0.807 -0.807 -24.271) 24.298 6.524 ( 9.666 9.666 -24.819) 28.335 6.811 ( 3.835 3.835 -9.559) 10.990 7.267 ( -1.019 -1.019 33.777) 33.808 7.944 ( 2.489 2.489 4.559) 5.760 8.205 ( 3.628 3.628 3.025) 5.956 8.234 ( 2.457 2.457 5.783) 6.746 8.754 ( -9.398 -9.398 -1.588) 13.385 9.563 ( 4.069 4.069 21.280) 22.044 9.908 ( 5.254 5.254 -3.021) 8.021 10.003 ( 2.834 2.834 -5.566) 6.859 10.269 ( 3.590 3.590 6.729) 8.430 10.545 ( -2.257 -2.257 -1.256) 3.431 10.733 ( 1.252 1.252 8.557) 8.738 10.916 ( -1.545 -1.545 11.000) 11.215 12.695 ( -0.612 -0.612 20.435) 20.453 13.050 ( -12.861 -12.861 22.381) 28.839 14.214 ( 1.964 1.964 -27.271) 27.412 14.814 ( 0.501 0.501 -8.036) 8.067 15.324 ( 9.166 9.166 -17.910) 22.109 15.557 ( 2.018 2.018 -15.321) 15.584 18.044 ( -1.450 -1.450 9.575) 9.792 19.025 ( 4.621 4.621 18.816) 19.918 25.722 ( -1.103 -1.103 0.360) 1.601 25.761 ( -2.224 -2.224 3.514) 4.716 27.258 ( -0.674 -0.674 -11.234) 11.274 27.560 ( -9.453 -9.453 -3.094) 13.721 27.654 ( -4.621 -4.621 2.681) 7.063 27.836 ( -2.055 -2.055 3.371) 4.451 29.772 ( 3.370 3.370 -20.234) 20.787 32.035 ( 9.306 9.306 15.068) 20.006 ======================= Grid point 339 (102/126) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 5.782 -28.595 12.940) 31.915 4.468 ( -46.232 3.423 11.894) 47.860 4.752 ( -2.494 -4.742 -19.877) 20.586 4.926 ( -13.663 -4.270 -19.743) 24.387 5.617 ( 8.734 4.458 17.431) 20.000 5.657 ( -3.749 -3.012 -23.075) 23.570 6.207 ( 15.330 1.102 -23.948) 28.456 6.705 ( -11.121 0.777 -8.012) 13.729 7.616 ( -2.291 -1.530 10.430) 10.788 7.848 ( 3.916 -6.438 -5.370) 9.253 8.275 ( -8.580 4.085 -6.911) 11.750 8.403 ( 7.922 8.047 7.184) 13.384 8.676 ( -3.495 -6.995 5.070) 9.319 9.810 ( 15.790 -4.464 -3.670) 16.814 9.967 ( 5.320 4.065 22.208) 23.195 10.098 ( -4.897 13.478 -1.396) 14.408 10.394 ( 4.983 -3.236 6.326) 8.679 10.462 ( -4.216 -1.305 0.039) 4.414 10.935 ( 2.344 4.664 10.128) 11.394 11.062 ( -0.799 -2.595 11.510) 11.826 13.041 ( -0.673 2.094 22.785) 22.890 13.249 ( -10.995 -7.335 20.294) 24.219 13.867 ( 1.530 0.230 -18.983) 19.046 14.734 ( 3.809 0.180 -2.904) 4.793 15.140 ( 4.795 6.830 -19.954) 21.629 15.280 ( 0.884 -2.512 -20.009) 20.185 18.174 ( -0.095 -0.928 9.304) 9.351 19.317 ( 2.989 3.267 11.860) 12.660 25.738 ( -0.017 0.473 2.694) 2.735 25.819 ( -4.720 -0.777 5.412) 7.223 27.106 ( 1.775 4.634 -10.734) 11.825 27.334 ( -3.167 -10.799 -6.543) 13.018 27.671 ( -6.927 -2.443 5.121) 8.954 27.901 ( -2.484 -0.086 4.980) 5.566 29.532 ( 1.250 0.559 -14.064) 14.131 32.324 ( 9.224 5.605 9.191) 14.177 ======================= Grid point 340 (103/126) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 0.194 0.000 -15.256) 15.257 4.316 ( -37.610 0.000 -26.858) 46.215 4.609 ( 2.119 -0.000 5.930) 6.298 4.967 ( -22.755 0.000 19.336) 29.861 5.280 ( -8.119 0.000 -19.925) 21.516 5.782 ( 12.084 -0.000 -4.709) 12.969 5.873 ( 12.201 -0.000 -19.846) 23.296 6.734 ( -16.168 0.000 14.791) 21.913 7.494 ( -8.072 0.000 -23.949) 25.273 7.710 ( 3.610 -0.000 -7.005) 7.880 8.161 ( -10.336 0.000 -9.902) 14.314 8.547 ( 7.423 -0.000 1.957) 7.677 8.685 ( -0.937 0.000 2.836) 2.987 9.742 ( 17.529 -0.000 -0.619) 17.539 10.211 ( -1.244 0.000 1.938) 2.303 10.327 ( -5.134 0.000 -1.217) 5.276 10.343 ( 6.101 -0.000 19.516) 20.447 10.620 ( 10.683 -0.000 13.902) 17.533 11.153 ( -0.196 -0.000 5.975) 5.978 11.197 ( -0.402 -0.000 18.214) 18.218 13.389 ( -0.839 -0.000 16.665) 16.686 13.393 ( -2.581 0.000 3.890) 4.668 13.683 ( -2.788 0.000 -4.598) 5.378 14.735 ( 4.655 -0.000 2.877) 5.472 14.915 ( 0.978 0.000 -18.312) 18.338 14.968 ( -1.388 0.000 -11.270) 11.355 18.291 ( 2.157 -0.000 6.443) 6.794 19.460 ( 2.051 -0.000 3.636) 4.174 25.794 ( -0.072 -0.000 2.655) 2.656 25.893 ( -6.960 0.000 6.089) 9.247 27.044 ( 4.530 -0.000 -9.444) 10.475 27.125 ( 0.635 -0.000 -3.363) 3.422 27.740 ( -7.388 0.000 6.363) 9.750 27.951 ( -2.597 0.000 1.086) 2.815 29.390 ( -1.255 0.000 -4.211) 4.394 32.459 ( 10.023 -0.000 3.182) 10.516 ======================= Grid point 350 (104/126) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( -12.178 -12.178 -21.228) 27.335 3.871 ( -15.026 -15.026 -20.294) 29.384 4.683 ( -1.200 -1.200 10.488) 10.624 4.748 ( -5.644 -5.644 13.832) 15.969 5.225 ( -5.950 -5.950 -21.780) 23.349 5.875 ( 9.383 9.383 -8.378) 15.693 5.979 ( 5.322 5.322 -23.243) 24.431 6.601 ( -10.542 -10.542 19.286) 24.376 7.431 ( -5.164 -5.164 -27.550) 28.501 7.750 ( -1.222 -1.222 -8.326) 8.503 8.071 ( -2.609 -2.609 -8.721) 9.469 8.585 ( 5.961 5.961 3.162) 9.003 8.692 ( -2.131 -2.131 1.988) 3.611 9.958 ( 6.350 6.350 -2.150) 9.234 10.080 ( 5.922 5.922 2.730) 8.809 10.320 ( -4.083 -4.083 1.494) 5.965 10.392 ( 3.063 3.063 19.547) 20.021 10.708 ( 4.713 4.713 18.833) 19.977 11.102 ( 3.233 3.233 6.670) 8.087 11.229 ( -4.486 -4.486 14.262) 15.609 13.354 ( 1.664 1.664 16.053) 16.225 13.406 ( -2.574 -2.574 9.532) 10.204 13.661 ( -2.082 -2.082 -6.599) 7.226 14.778 ( 2.145 2.145 2.345) 3.834 14.894 ( 2.341 2.341 -16.721) 17.045 14.976 ( -2.597 -2.597 -15.870) 16.290 18.307 ( 0.382 0.382 7.745) 7.763 19.472 ( 2.308 2.308 3.389) 4.706 25.780 ( 0.969 0.969 2.196) 2.589 25.853 ( -3.957 -3.957 5.359) 7.748 27.023 ( 6.325 6.325 -6.666) 11.156 27.200 ( -4.658 -4.658 -4.262) 7.845 27.673 ( -5.395 -5.395 6.766) 10.198 27.933 ( -0.521 -0.521 1.118) 1.339 29.383 ( -0.513 -0.513 -5.355) 5.404 32.529 ( 5.934 5.934 3.826) 9.222 ======================= Grid point 351 (105/126) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -2.183 0.000 -32.391) 32.464 3.415 ( -25.392 0.000 -32.735) 41.429 4.728 ( 2.415 -0.000 -14.036) 14.242 5.017 ( -6.422 0.000 13.971) 15.377 5.048 ( -11.767 0.000 22.351) 25.259 5.711 ( 4.551 -0.000 -14.459) 15.158 5.714 ( 4.587 -0.000 -14.855) 15.547 6.730 ( -8.550 0.000 -53.883) 54.557 6.881 ( -7.973 0.000 17.042) 18.815 7.605 ( 0.054 0.000 -9.172) 9.172 7.921 ( -4.153 0.000 -8.769) 9.702 8.643 ( 4.641 -0.000 -1.145) 4.780 8.682 ( -0.851 0.000 -1.467) 1.696 9.995 ( 14.645 -0.000 4.538) 15.332 10.222 ( -0.858 0.000 2.642) 2.778 10.277 ( -5.269 0.000 4.296) 6.798 10.732 ( 5.324 -0.000 19.071) 19.800 11.014 ( 16.216 -0.000 10.711) 19.434 11.219 ( -0.073 -0.000 2.686) 2.687 11.436 ( -12.108 0.000 24.535) 27.360 13.405 ( 6.297 -0.000 -5.500) 8.361 13.490 ( 0.216 0.000 -4.992) 4.997 13.579 ( -4.487 0.000 -5.044) 6.751 14.758 ( -0.534 0.000 -0.311) 0.618 14.774 ( -2.629 0.000 1.782) 3.176 14.939 ( 0.176 -0.000 10.109) 10.110 18.410 ( 2.569 -0.000 4.880) 5.515 19.475 ( 1.752 -0.000 -5.237) 5.523 25.819 ( 0.124 -0.000 0.366) 0.387 25.868 ( -6.764 0.000 2.450) 7.194 27.043 ( 6.839 -0.000 -2.225) 7.192 27.094 ( 0.126 0.000 -1.098) 1.105 27.750 ( -6.833 0.000 8.946) 11.257 27.908 ( -0.765 0.000 -3.804) 3.881 29.373 ( -1.490 0.000 4.583) 4.819 32.594 ( 7.050 -0.000 -1.088) 7.134 ======================= Grid point 362 (106/126) ======================= q-point: (-0.18 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 0.000 0.000 -38.590) 38.590 2.683 ( 0.000 0.000 -38.590) 38.590 4.428 ( 0.000 0.000 -18.996) 18.996 5.300 ( -0.000 -0.000 19.482) 19.482 5.300 ( -0.000 -0.000 19.482) 19.482 5.604 ( 0.000 0.000 -1.366) 1.366 5.604 ( 0.000 0.000 -1.366) 1.366 5.637 ( 0.000 0.000 -75.911) 75.911 6.994 ( -0.000 -0.000 1.057) 1.057 7.461 ( 0.000 0.000 -9.288) 9.288 7.767 ( 0.000 0.000 -7.998) 7.998 8.625 ( 0.000 0.000 -5.140) 5.140 8.625 ( 0.000 0.000 -5.140) 5.140 10.265 ( -0.000 -0.000 3.537) 3.537 10.265 ( -0.000 -0.000 3.537) 3.537 10.319 ( -0.000 -0.000 19.248) 19.248 11.041 ( -0.000 -0.000 16.036) 16.036 11.225 ( 0.000 0.000 -1.757) 1.757 11.225 ( 0.000 0.000 -1.757) 1.757 11.727 ( -0.000 -0.000 28.487) 28.487 13.259 ( 0.000 0.000 -22.691) 22.691 13.259 ( 0.000 0.000 -22.691) 22.691 13.505 ( -0.000 -0.000 2.541) 2.541 14.886 ( -0.000 -0.000 15.266) 15.266 14.886 ( -0.000 -0.000 15.266) 15.266 15.152 ( -0.000 -0.000 16.983) 16.983 18.497 ( -0.000 -0.000 3.198) 3.198 19.345 ( 0.000 0.000 -13.463) 13.463 25.806 ( 0.000 0.000 -2.208) 2.208 25.806 ( 0.000 0.000 -2.208) 2.208 27.098 ( -0.000 -0.000 1.483) 1.483 27.098 ( -0.000 -0.000 1.483) 1.483 27.822 ( 0.000 0.000 -6.320) 6.320 27.858 ( -0.000 -0.000 11.919) 11.919 29.480 ( -0.000 -0.000 10.350) 10.350 32.608 ( 0.000 0.000 -4.123) 4.123 ======================= Grid point 419 (107/126) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 20.145 -0.000 -0.000) 20.145 3.846 ( 36.039 -0.000 -0.000) 36.039 5.582 ( 29.206 -0.000 -0.000) 29.206 5.628 ( 6.778 -0.000 -0.000) 6.778 6.207 ( 19.801 -0.000 -0.000) 19.801 6.231 ( -34.351 0.000 0.000) 34.351 6.240 ( 2.807 -0.000 -0.000) 2.807 6.911 ( 16.875 -0.000 -0.000) 16.875 7.087 ( 12.645 -0.000 -0.000) 12.645 7.217 ( 3.045 -0.000 -0.000) 3.045 7.899 ( 0.821 -0.000 -0.000) 0.821 8.230 ( 7.879 -0.000 -0.000) 7.879 8.896 ( -30.205 0.000 0.000) 30.205 9.158 ( 10.093 -0.000 -0.000) 10.093 10.011 ( -11.409 0.000 0.000) 11.409 10.051 ( -17.177 0.000 0.000) 17.177 10.288 ( 3.477 -0.000 -0.000) 3.477 10.633 ( -6.593 0.000 0.000) 6.593 10.690 ( -6.877 0.000 0.000) 6.877 10.738 ( -7.765 0.000 0.000) 7.765 12.125 ( -2.175 0.000 0.000) 2.175 13.493 ( -34.608 0.000 0.000) 34.608 14.255 ( 21.385 -0.000 -0.000) 21.385 14.995 ( 25.482 -0.000 -0.000) 25.482 15.860 ( -13.304 0.000 0.000) 13.304 15.882 ( 5.367 -0.000 -0.000) 5.367 17.751 ( 5.960 -0.000 -0.000) 5.960 18.264 ( -2.464 0.000 0.000) 2.464 25.592 ( -0.797 0.000 0.000) 0.797 26.350 ( -15.432 0.000 0.000) 15.432 27.308 ( 2.171 -0.000 -0.000) 2.171 27.585 ( -1.305 0.000 0.000) 1.305 27.838 ( -12.026 0.000 0.000) 12.026 28.567 ( -19.954 0.000 0.000) 19.954 30.293 ( 22.439 -0.000 -0.000) 22.439 30.907 ( 7.252 -0.000 -0.000) 7.252 ======================= Grid point 430 (108/126) ======================= q-point: (-0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 15.259 -39.552 -0.000) 42.393 4.308 ( 25.263 -3.156 -0.000) 25.459 5.556 ( -6.534 6.652 0.000) 9.324 5.586 ( -43.762 4.883 0.000) 44.034 5.992 ( 14.675 -7.709 -0.000) 16.577 6.383 ( 10.903 -8.542 -0.000) 13.851 6.451 ( 12.161 1.532 -0.000) 12.257 7.151 ( 16.250 -0.872 -0.000) 16.273 7.239 ( 3.068 3.715 0.000) 4.818 7.302 ( 14.804 -2.464 -0.000) 15.008 7.831 ( -3.493 8.853 0.000) 9.517 8.087 ( -6.809 19.832 0.000) 20.968 8.745 ( -13.097 -23.651 -0.000) 27.035 9.379 ( 17.402 -2.308 -0.000) 17.554 9.753 ( -20.275 3.370 0.000) 20.553 9.949 ( 3.150 1.726 -0.000) 3.592 10.339 ( 2.776 -0.125 -0.000) 2.779 10.456 ( -6.983 8.374 0.000) 10.904 10.621 ( -4.117 4.866 0.000) 6.374 10.646 ( -5.347 -1.774 0.000) 5.634 12.158 ( -1.388 -8.826 -0.000) 8.934 13.038 ( -31.809 -0.473 0.000) 31.813 14.592 ( 18.109 -8.724 -0.000) 20.101 15.317 ( 24.363 2.732 -0.000) 24.516 15.632 ( -14.305 5.020 0.000) 15.160 15.897 ( 4.548 8.191 0.000) 9.369 17.844 ( 6.274 -1.218 -0.000) 6.391 18.195 ( -3.153 4.044 0.000) 5.127 25.610 ( -0.272 -4.011 -0.000) 4.020 26.110 ( -15.188 3.081 0.000) 15.498 27.342 ( 2.350 -0.945 -0.000) 2.533 27.655 ( -0.870 -11.252 -0.000) 11.286 27.673 ( -10.921 0.716 0.000) 10.944 28.310 ( -19.825 -1.866 0.000) 19.913 30.575 ( 20.157 1.972 -0.000) 20.253 30.956 ( 6.825 6.703 -0.000) 9.566 ======================= Grid point 431 (109/126) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 16.005 -0.000 11.562) 19.744 4.347 ( 25.302 -0.000 8.234) 26.608 5.415 ( -34.273 0.000 -7.509) 35.086 5.856 ( 12.920 -0.000 -10.270) 16.505 5.984 ( -21.677 0.000 27.287) 34.850 6.220 ( 15.511 -0.000 -12.538) 19.945 6.435 ( 9.122 -0.000 -1.427) 9.233 6.855 ( 11.439 -0.000 -25.843) 28.262 7.296 ( 17.194 -0.000 0.625) 17.205 7.376 ( 8.353 -0.000 8.462) 11.890 8.100 ( -1.967 -0.000 20.283) 20.379 8.343 ( -26.823 0.000 -12.682) 29.670 8.386 ( 11.063 -0.000 4.828) 12.071 9.381 ( 18.441 -0.000 1.765) 18.525 9.748 ( -21.772 0.000 -3.234) 22.011 9.951 ( 4.023 -0.000 0.100) 4.024 10.470 ( -2.233 0.000 14.571) 14.741 10.498 ( -6.357 0.000 -3.786) 7.399 10.626 ( -4.622 0.000 1.860) 4.982 10.721 ( -5.135 0.000 6.938) 8.632 12.178 ( -1.472 0.000 10.156) 10.262 13.078 ( -30.747 0.000 5.739) 31.278 14.469 ( 17.580 -0.000 -7.959) 19.298 15.210 ( 19.152 -0.000 -15.850) 24.860 15.616 ( -8.941 0.000 -5.957) 10.744 15.898 ( 4.959 -0.000 -7.322) 8.843 17.824 ( 3.751 -0.000 0.690) 3.814 18.400 ( -1.361 -0.000 19.690) 19.737 25.596 ( -0.746 0.000 1.871) 2.015 26.111 ( -15.298 0.000 -2.673) 15.530 27.324 ( 2.377 -0.000 -2.031) 3.126 27.566 ( -0.372 0.000 -0.560) 0.672 27.719 ( -11.193 0.000 4.737) 12.154 28.221 ( -16.647 0.000 -9.658) 19.246 30.322 ( 14.993 -0.000 -24.048) 28.339 31.270 ( 9.887 -0.000 24.186) 26.129 ======================= Grid point 441 (110/126) ======================= q-point: (-0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 10.388 -54.540 -0.000) 55.520 4.367 ( -32.194 4.124 0.000) 32.457 5.113 ( -4.848 -3.525 0.000) 5.994 5.320 ( -7.544 12.255 0.000) 14.391 6.270 ( 7.933 -9.688 -0.000) 12.521 6.460 ( -3.840 4.508 0.000) 5.922 6.750 ( 19.913 -11.064 -0.000) 22.780 7.129 ( -4.880 14.193 0.000) 15.009 7.360 ( 12.901 -0.345 -0.000) 12.906 7.544 ( 13.069 -4.690 -0.000) 13.885 7.561 ( -4.721 14.833 0.000) 15.566 7.784 ( -6.695 10.755 0.000) 12.668 9.003 ( 0.651 -22.934 -0.000) 22.943 9.350 ( -20.367 4.882 0.000) 20.944 9.735 ( 16.513 -4.803 -0.000) 17.197 9.962 ( 3.187 9.257 0.000) 9.791 10.282 ( -0.143 4.725 0.000) 4.727 10.331 ( 0.086 5.420 0.000) 5.421 10.537 ( 0.812 1.731 0.000) 1.912 10.580 ( -3.193 2.063 0.000) 3.802 12.334 ( -0.838 -18.880 -0.000) 18.899 12.641 ( -26.737 -0.661 0.000) 26.745 14.970 ( 13.769 -13.771 -0.000) 19.474 15.330 ( -15.180 9.211 0.000) 17.756 15.587 ( 21.534 4.044 -0.000) 21.910 15.790 ( 4.486 16.124 0.000) 16.736 17.956 ( 6.479 -2.266 -0.000) 6.864 18.080 ( -3.013 6.043 0.000) 6.753 25.701 ( 1.123 -8.556 -0.000) 8.630 25.875 ( -12.593 2.746 0.000) 12.889 27.410 ( 2.097 -4.645 -0.000) 5.096 27.525 ( -8.319 1.481 0.000) 8.450 27.839 ( -1.123 -16.658 -0.000) 16.696 28.067 ( -19.098 -1.734 0.000) 19.177 30.786 ( 16.561 4.142 -0.000) 17.071 30.914 ( 5.883 12.067 0.000) 13.425 ======================= Grid point 442 (111/126) ======================= q-point: (-0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 11.664 -36.463 9.431) 39.428 4.487 ( -24.914 1.565 10.578) 27.112 4.911 ( -12.743 0.918 -11.813) 17.400 5.724 ( -4.469 8.539 15.884) 18.580 6.046 ( 0.544 -12.713 -6.698) 14.380 6.436 ( -6.383 1.027 -4.384) 7.811 6.556 ( 23.172 -4.315 -10.106) 25.646 6.988 ( 8.582 1.102 -24.701) 26.172 7.374 ( 8.070 11.567 -2.298) 14.290 7.618 ( 13.676 -7.002 10.949) 18.866 7.814 ( -10.058 17.358 3.111) 20.301 8.088 ( -6.293 3.102 17.732) 19.069 8.679 ( 4.339 -18.482 -0.113) 18.985 9.401 ( -20.163 4.796 -1.248) 20.763 9.687 ( 17.666 -4.663 1.682) 18.349 10.044 ( 8.678 1.335 1.024) 8.839 10.325 ( -4.908 8.591 -2.643) 10.241 10.479 ( -0.439 1.952 8.930) 9.151 10.563 ( -3.319 -0.420 1.370) 3.615 10.662 ( -3.017 0.560 6.532) 7.217 12.209 ( -0.902 -6.985 8.638) 11.145 12.697 ( -25.409 -1.405 8.152) 26.722 14.739 ( 13.503 -7.468 -10.065) 18.423 15.278 ( -6.804 4.170 -16.861) 18.655 15.617 ( 13.757 2.955 -3.219) 14.435 15.910 ( 4.270 7.286 -6.520) 10.669 17.872 ( 2.053 -0.942 -1.965) 2.994 18.365 ( 0.400 3.335 21.641) 21.900 25.617 ( -0.163 -4.361 1.349) 4.568 25.895 ( -13.375 1.718 -1.348) 13.552 27.367 ( 2.027 -1.814 -0.968) 2.887 27.562 ( -7.264 -0.005 2.343) 7.633 27.642 ( -2.078 -8.607 -0.288) 8.859 28.005 ( -16.062 -1.314 -5.564) 17.049 30.485 ( 11.587 3.221 -27.534) 30.046 31.369 ( 9.820 5.166 25.368) 27.689 ======================= Grid point 443 (112/126) ======================= q-point: (-0.27 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 11.366 -0.000 18.541) 21.748 4.722 ( -31.258 0.000 17.295) 35.723 4.837 ( -4.854 0.000 2.074) 5.278 5.582 ( -2.685 0.000 -26.801) 26.935 5.907 ( -16.522 0.000 -12.425) 20.673 6.304 ( 18.913 -0.000 -18.711) 26.605 6.615 ( 13.445 -0.000 -23.131) 26.754 6.672 ( -1.439 -0.000 32.810) 32.842 7.417 ( 4.232 -0.000 -14.446) 15.053 7.640 ( 10.642 -0.000 7.327) 12.920 8.033 ( -4.012 0.000 8.381) 9.292 8.301 ( -3.312 0.000 11.984) 12.434 8.627 ( 3.489 -0.000 5.088) 6.169 9.468 ( -15.043 0.000 6.658) 16.450 9.658 ( 18.676 -0.000 -0.852) 18.696 10.080 ( 8.955 -0.000 3.715) 9.695 10.360 ( -5.596 0.000 -3.376) 6.536 10.577 ( -7.115 0.000 2.978) 7.713 10.633 ( -0.103 -0.000 8.105) 8.106 10.783 ( -3.596 0.000 9.076) 9.763 12.382 ( -1.036 -0.000 18.464) 18.493 12.855 ( -23.405 0.000 14.502) 27.533 14.472 ( 11.277 -0.000 -18.782) 21.908 15.014 ( 0.491 0.000 -19.027) 19.033 15.547 ( 9.135 -0.000 -8.829) 12.704 15.795 ( 3.985 -0.000 -14.308) 14.852 17.899 ( 0.396 -0.000 5.952) 5.965 18.744 ( 1.185 -0.000 23.490) 23.520 25.627 ( -0.640 0.000 3.333) 3.394 25.885 ( -11.939 0.000 -1.257) 12.005 27.310 ( 2.114 -0.000 -3.859) 4.400 27.544 ( -1.573 0.000 -2.972) 3.363 27.644 ( -9.824 0.000 3.875) 10.561 27.896 ( -10.192 0.000 -5.446) 11.556 30.101 ( 8.865 -0.000 -25.161) 26.677 31.763 ( 9.947 -0.000 21.292) 23.500 ======================= Grid point 452 (113/126) ======================= q-point: ( 0.55 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.722 ( -21.283 -21.283 5.566) 30.609 3.804 ( -24.401 -24.401 9.769) 35.864 4.939 ( 4.040 4.040 -10.645) 12.081 5.622 ( 4.824 4.824 17.069) 18.382 6.228 ( -8.294 -8.294 -16.157) 19.966 6.287 ( -5.513 -5.513 3.867) 8.703 6.823 ( 5.825 5.825 -21.375) 22.907 7.057 ( 10.051 10.051 -3.821) 14.719 7.249 ( 6.721 6.721 -20.459) 22.559 7.634 ( 5.568 5.568 9.639) 12.447 7.829 ( 2.079 2.079 15.802) 16.073 7.962 ( 1.677 1.677 17.714) 17.872 8.947 ( -10.386 -10.386 -7.850) 16.654 9.113 ( -5.487 -5.487 6.116) 9.880 9.953 ( 5.922 5.922 0.030) 8.375 10.023 ( 5.929 5.929 5.726) 10.154 10.221 ( 2.184 2.184 -6.509) 7.204 10.436 ( 4.606 4.606 5.985) 8.846 10.558 ( -3.464 -3.464 3.379) 5.951 10.630 ( 0.499 0.499 7.180) 7.215 12.302 ( -6.125 -6.125 3.270) 9.258 12.478 ( -11.824 -11.824 13.566) 21.533 14.985 ( -0.820 -0.820 -16.998) 17.038 15.088 ( -1.618 -1.618 -6.978) 7.344 15.743 ( 10.779 10.779 -9.258) 17.834 15.852 ( 7.177 7.177 -3.112) 10.616 17.895 ( -0.190 -0.190 -3.530) 3.541 18.341 ( 3.063 3.063 22.891) 23.297 25.715 ( -4.152 -4.152 0.161) 5.874 25.718 ( -4.081 -4.081 0.080) 5.772 27.414 ( -1.295 -1.295 -0.949) 2.062 27.483 ( -2.811 -2.811 4.127) 5.731 27.749 ( -6.753 -6.753 -6.385) 11.488 27.851 ( -8.202 -8.202 -0.323) 11.604 30.544 ( 7.294 7.294 -28.727) 30.523 31.401 ( 8.409 8.409 25.907) 28.505 ======================= Grid point 454 (114/126) ======================= q-point: (-0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 7.625 -32.848 16.143) 37.386 4.002 ( -50.767 3.648 12.967) 52.524 4.964 ( 7.645 1.135 9.142) 11.972 5.553 ( -1.964 -0.444 -24.982) 25.063 5.762 ( -11.887 -6.991 -24.623) 28.222 6.467 ( 6.039 1.153 -26.331) 27.040 6.639 ( -2.608 -0.683 36.701) 36.800 6.888 ( 21.608 -3.276 -16.906) 27.630 7.237 ( -4.312 18.955 -16.519) 25.510 7.844 ( 5.868 -3.333 7.275) 9.923 8.031 ( 9.250 -0.235 15.087) 17.698 8.224 ( -7.222 4.116 11.439) 14.141 8.673 ( -6.650 -9.472 -5.293) 12.726 9.304 ( -4.400 2.659 17.389) 18.133 9.927 ( 15.609 -3.192 -2.179) 16.081 10.194 ( 3.152 2.359 -0.515) 3.971 10.209 ( -1.206 8.166 1.275) 8.352 10.519 ( -5.749 -3.558 -0.133) 6.762 10.626 ( 2.036 3.355 9.328) 10.120 10.751 ( -1.383 -0.764 8.827) 8.967 12.390 ( -0.833 -2.622 16.658) 16.884 12.612 ( -15.619 -4.832 17.602) 24.024 14.615 ( 4.853 -2.885 -23.887) 24.545 14.963 ( -3.518 1.375 -11.235) 11.853 15.673 ( 11.531 4.664 -13.094) 18.060 15.813 ( 3.053 3.907 -12.967) 13.883 17.903 ( -0.871 -1.019 5.445) 5.607 18.748 ( 2.513 2.628 23.846) 24.121 25.646 ( -0.040 -3.855 2.582) 4.640 25.736 ( -8.412 0.716 0.845) 8.485 27.354 ( 1.143 -2.180 -4.107) 4.789 27.492 ( -7.307 -2.399 -0.621) 7.715 27.592 ( -3.313 -4.170 -1.291) 5.480 27.783 ( -6.776 -1.451 0.032) 6.929 30.187 ( 6.342 3.073 -27.094) 27.996 31.854 ( 8.096 4.783 21.424) 23.397 ======================= Grid point 455 (115/126) ======================= q-point: (-0.27 -0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 7.144 -0.000 20.697) 21.896 4.253 ( -46.981 0.000 16.420) 49.767 5.102 ( -3.141 0.000 -28.992) 29.161 5.169 ( 2.967 -0.000 3.422) 4.529 5.391 ( -11.409 0.000 -6.764) 13.263 6.042 ( 1.552 0.000 -28.150) 28.192 6.558 ( 20.448 -0.000 -22.046) 30.069 7.001 ( -4.252 0.000 -17.303) 17.818 7.272 ( -3.546 0.000 28.136) 28.358 7.833 ( 7.497 -0.000 0.176) 7.499 8.296 ( 6.937 -0.000 14.259) 15.857 8.390 ( -6.088 0.000 3.045) 6.807 8.536 ( -7.653 0.000 -0.969) 7.714 9.644 ( 1.496 -0.000 23.112) 23.160 9.845 ( 15.786 -0.000 -4.669) 16.462 10.248 ( -4.249 0.000 -2.182) 4.776 10.262 ( 5.926 -0.000 4.910) 7.696 10.468 ( -7.632 0.000 -2.063) 7.906 10.798 ( 3.299 -0.000 10.434) 10.943 10.894 ( -1.856 0.000 10.142) 10.311 12.692 ( -0.896 -0.000 23.457) 23.474 12.872 ( -14.200 0.000 21.154) 25.478 14.215 ( 3.268 -0.000 -25.498) 25.707 14.818 ( 1.185 -0.000 -7.987) 8.074 15.480 ( 8.084 -0.000 -16.831) 18.672 15.577 ( 2.579 -0.000 -20.200) 20.364 18.016 ( -0.850 -0.000 9.715) 9.752 19.100 ( 2.287 -0.000 19.317) 19.452 25.677 ( -0.425 -0.000 4.202) 4.223 25.764 ( -6.742 0.000 2.330) 7.133 27.266 ( 1.424 -0.000 -5.062) 5.259 27.373 ( -4.730 0.000 -9.949) 11.016 27.593 ( -6.400 0.000 3.279) 7.191 27.819 ( -3.485 0.000 4.960) 6.061 29.824 ( 4.342 -0.000 -22.645) 23.058 32.172 ( 8.269 -0.000 15.752) 17.791 ======================= Grid point 465 (116/126) ======================= q-point: (-0.36 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -12.317 -12.317 19.226) 25.943 3.690 ( -14.044 -14.044 18.878) 27.402 5.099 ( -2.819 -2.819 -28.584) 28.861 5.145 ( -5.216 -5.216 -23.034) 24.186 5.339 ( 0.906 0.906 18.680) 18.724 6.053 ( -0.021 -0.021 -30.234) 30.234 6.783 ( 8.267 8.267 -25.850) 28.371 6.889 ( 1.787 1.787 -21.750) 21.896 7.239 ( -0.990 -0.990 34.126) 34.155 7.924 ( -1.793 -1.793 -1.806) 3.114 8.285 ( 1.108 1.108 0.149) 1.574 8.343 ( 4.487 4.487 12.320) 13.858 8.512 ( -7.273 -7.273 4.743) 11.327 9.655 ( 2.392 2.392 25.074) 25.301 10.056 ( 5.592 5.592 -3.002) 8.459 10.097 ( 4.146 4.146 -4.206) 7.215 10.333 ( 0.517 0.517 5.520) 5.568 10.410 ( -5.933 -5.933 -2.776) 8.838 10.821 ( 3.169 3.169 10.686) 11.587 10.882 ( -0.956 -0.956 10.460) 10.546 12.683 ( -0.275 -0.275 22.557) 22.560 12.775 ( -6.899 -6.899 22.958) 24.945 14.238 ( 0.160 0.160 -26.506) 26.507 14.823 ( 0.197 0.197 -5.870) 5.877 15.534 ( 5.583 5.583 -19.944) 21.450 15.599 ( 1.026 1.026 -19.157) 19.212 18.010 ( -0.963 -0.963 9.936) 10.029 19.115 ( 2.017 2.017 19.384) 19.593 25.689 ( -1.131 -1.131 3.151) 3.534 25.700 ( -1.906 -1.906 4.206) 4.996 27.268 ( 0.993 0.993 -7.778) 7.904 27.356 ( -5.048 -5.048 -4.771) 8.586 27.544 ( -3.192 -3.192 1.503) 4.758 27.794 ( -1.045 -1.045 5.617) 5.808 29.856 ( 2.347 2.347 -23.764) 23.994 32.228 ( 4.732 4.732 15.999) 17.343 ======================= Grid point 466 (117/126) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 2.912 -0.000 10.739) 11.127 3.952 ( -29.215 0.000 9.747) 30.798 4.688 ( -1.149 0.000 -17.614) 17.652 4.742 ( -8.665 0.000 -16.963) 19.048 5.593 ( -2.195 0.000 -29.063) 29.145 5.786 ( 8.315 -0.000 29.188) 30.349 6.402 ( 10.622 -0.000 -27.024) 29.037 6.555 ( -9.896 0.000 -22.207) 24.313 7.568 ( -2.386 0.000 6.793) 7.200 7.841 ( 0.746 -0.000 -5.575) 5.625 8.194 ( -5.149 0.000 -8.854) 10.242 8.550 ( 4.242 -0.000 8.375) 9.388 8.591 ( -1.361 0.000 7.842) 7.959 10.003 ( 15.692 -0.000 -2.463) 15.884 10.056 ( 3.422 -0.000 24.295) 24.535 10.186 ( -2.206 0.000 0.108) 2.209 10.283 ( -5.563 0.000 -3.053) 6.346 10.456 ( -1.394 -0.000 12.567) 12.644 11.008 ( 2.253 -0.000 10.520) 10.758 11.029 ( -0.538 -0.000 9.335) 9.350 13.050 ( -0.586 -0.000 24.261) 24.268 13.082 ( -5.285 0.000 23.053) 23.651 13.875 ( -0.027 0.000 -20.376) 20.376 14.774 ( 1.568 -0.000 -1.016) 1.869 15.253 ( 2.672 0.000 -22.193) 22.353 15.265 ( 1.068 0.000 -23.488) 23.512 18.163 ( -0.451 -0.000 10.512) 10.522 19.371 ( 1.815 -0.000 12.020) 12.156 25.738 ( -0.155 -0.000 4.198) 4.201 25.756 ( -2.763 0.000 4.265) 5.082 27.201 ( 0.596 0.000 -5.167) 5.202 27.204 ( 0.039 0.000 -7.274) 7.274 27.558 ( -5.782 0.000 3.644) 6.834 27.877 ( -0.945 0.000 5.297) 5.381 29.556 ( 1.127 0.000 -16.780) 16.818 32.462 ( 5.076 -0.000 10.152) 11.350 ======================= Grid point 477 (118/126) ======================= q-point: (-0.27 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 0.000 0.000 -20.713) 20.713 3.657 ( 0.000 0.000 -20.713) 20.713 4.667 ( -0.000 -0.000 13.835) 13.835 4.667 ( -0.000 -0.000 13.835) 13.835 5.138 ( 0.000 0.000 -27.363) 27.363 6.064 ( 0.000 0.000 -24.988) 24.988 6.064 ( 0.000 0.000 -24.988) 24.988 6.395 ( -0.000 -0.000 34.218) 34.218 7.354 ( 0.000 0.000 -30.830) 30.830 7.735 ( 0.000 0.000 -7.987) 7.987 8.029 ( 0.000 0.000 -8.913) 8.913 8.666 ( -0.000 -0.000 2.965) 2.965 8.666 ( -0.000 -0.000 2.965) 2.965 10.117 ( 0.000 0.000 -3.731) 3.731 10.181 ( -0.000 -0.000 1.581) 1.581 10.181 ( -0.000 -0.000 1.581) 1.581 10.447 ( -0.000 -0.000 22.798) 22.798 10.773 ( -0.000 -0.000 28.922) 28.922 11.148 ( -0.000 -0.000 6.512) 6.512 11.148 ( -0.000 -0.000 6.512) 6.512 13.377 ( -0.000 -0.000 17.370) 17.370 13.377 ( -0.000 -0.000 17.370) 17.370 13.624 ( 0.000 0.000 -11.914) 11.914 14.819 ( -0.000 -0.000 5.106) 5.106 14.929 ( 0.000 0.000 -19.738) 19.738 14.929 ( 0.000 0.000 -19.738) 19.738 18.312 ( -0.000 -0.000 8.976) 8.976 19.503 ( -0.000 -0.000 3.467) 3.467 25.793 ( -0.000 -0.000 2.920) 2.920 25.793 ( -0.000 -0.000 2.920) 2.920 27.134 ( 0.000 0.000 -3.795) 3.795 27.134 ( 0.000 0.000 -3.795) 3.795 27.579 ( -0.000 -0.000 5.924) 5.924 27.926 ( -0.000 -0.000 1.336) 1.336 29.377 ( 0.000 0.000 -6.661) 6.661 32.612 ( -0.000 -0.000 4.703) 4.703 ======================= Grid point 558 (119/126) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 12.795 -0.000 -0.000) 12.795 4.416 ( -21.411 0.000 0.000) 21.411 5.077 ( -14.725 0.000 0.000) 14.725 5.512 ( -6.487 0.000 0.000) 6.487 6.072 ( 3.860 -0.000 -0.000) 3.860 6.514 ( -4.656 0.000 0.000) 4.656 6.603 ( 25.932 -0.000 -0.000) 25.932 7.319 ( 4.211 -0.000 -0.000) 4.211 7.360 ( 14.316 -0.000 -0.000) 14.316 7.478 ( 12.688 -0.000 -0.000) 12.688 7.850 ( -3.165 0.000 0.000) 3.165 8.066 ( -23.766 0.000 0.000) 23.766 8.488 ( 9.340 -0.000 -0.000) 9.340 9.455 ( -24.228 0.000 0.000) 24.228 9.633 ( 19.987 -0.000 -0.000) 19.987 10.060 ( 10.137 -0.000 -0.000) 10.137 10.382 ( 3.000 -0.000 -0.000) 3.000 10.434 ( -7.344 0.000 0.000) 7.344 10.560 ( -2.727 0.000 0.000) 2.727 10.609 ( -2.762 0.000 0.000) 2.762 12.083 ( -0.912 0.000 0.000) 0.912 12.633 ( -26.362 0.000 0.000) 26.362 14.757 ( 14.549 -0.000 -0.000) 14.549 15.460 ( -14.986 0.000 0.000) 14.986 15.645 ( 20.624 -0.000 -0.000) 20.624 16.019 ( 4.271 -0.000 -0.000) 4.271 17.922 ( 6.203 -0.000 -0.000) 6.203 18.175 ( -3.618 0.000 0.000) 3.618 25.573 ( -0.590 0.000 0.000) 0.590 25.918 ( -14.921 0.000 0.000) 14.921 27.373 ( 2.372 -0.000 -0.000) 2.372 27.544 ( -8.277 0.000 0.000) 8.277 27.568 ( 0.009 -0.000 -0.000) 0.009 28.044 ( -17.516 0.000 0.000) 17.516 30.844 ( 16.689 -0.000 -0.000) 16.689 31.086 ( 5.516 -0.000 -0.000) 5.516 ======================= Grid point 570 (120/126) ======================= q-point: (-0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 8.151 -36.543 -0.000) 37.441 3.779 ( -52.551 3.727 0.000) 52.684 5.177 ( 13.259 -2.524 -0.000) 13.497 5.379 ( -4.781 7.856 0.000) 9.196 6.170 ( 1.198 -10.074 -0.000) 10.145 6.362 ( -13.827 1.053 0.000) 13.867 6.989 ( 25.258 -2.814 -0.000) 25.415 7.293 ( 0.606 12.481 0.000) 12.495 7.524 ( 10.121 0.562 -0.000) 10.137 7.649 ( 9.253 -2.977 -0.000) 9.720 7.682 ( -5.322 11.824 0.000) 12.967 7.805 ( -6.105 4.579 0.000) 7.632 8.750 ( 5.421 -18.406 -0.000) 19.187 9.100 ( -23.068 3.345 0.000) 23.309 9.917 ( 17.243 -2.911 -0.000) 17.487 10.135 ( 2.953 9.505 0.000) 9.953 10.333 ( 1.061 0.416 -0.000) 1.140 10.395 ( 0.235 2.764 0.000) 2.774 10.551 ( -1.273 -1.110 0.000) 1.689 10.561 ( -0.917 1.741 0.000) 1.968 12.135 ( -0.387 -9.088 -0.000) 9.096 12.323 ( -18.586 -0.137 0.000) 18.587 14.982 ( 9.916 -7.899 -0.000) 12.678 15.231 ( -12.951 4.912 0.000) 13.851 15.881 ( 15.405 1.791 -0.000) 15.508 16.012 ( 3.172 8.322 0.000) 8.906 18.012 ( 5.326 -1.499 -0.000) 5.533 18.104 ( -2.940 3.353 0.000) 4.459 25.606 ( -0.058 -5.707 -0.000) 5.707 25.728 ( -11.292 0.622 0.000) 11.309 27.400 ( 1.716 -0.574 -0.000) 1.810 27.451 ( -4.430 0.799 0.000) 4.501 27.648 ( 0.133 -10.149 -0.000) 10.150 27.823 ( -14.841 -0.183 0.000) 14.842 31.026 ( 11.883 2.145 -0.000) 12.076 31.109 ( 4.049 6.237 0.000) 7.436 ======================= Grid point 571 (121/126) ======================= q-point: (-0.36 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 8.417 -0.000 10.108) 13.154 3.866 ( -52.338 0.000 7.795) 52.916 4.973 ( 8.367 -0.000 -9.453) 12.624 5.781 ( 1.326 -0.000 23.517) 23.554 5.930 ( -0.483 0.000 -20.129) 20.135 6.278 ( -15.266 0.000 -3.356) 15.630 6.843 ( 18.244 -0.000 -17.612) 25.358 7.136 ( 13.391 -0.000 -19.281) 23.475 7.639 ( 8.987 -0.000 10.163) 13.566 7.650 ( 1.577 -0.000 -8.321) 8.469 7.815 ( -3.998 0.000 9.834) 10.615 8.009 ( -4.622 0.000 17.751) 18.343 8.623 ( 3.578 -0.000 1.400) 3.843 9.153 ( -17.972 0.000 5.100) 18.682 9.910 ( 17.482 -0.000 1.114) 17.517 10.185 ( 9.134 -0.000 -1.102) 9.200 10.324 ( -5.638 0.000 -1.928) 5.958 10.451 ( -2.522 0.000 3.503) 4.316 10.563 ( 1.194 -0.000 3.829) 4.011 10.624 ( -2.179 0.000 5.819) 6.214 12.152 ( -0.497 -0.000 10.106) 10.118 12.388 ( -17.803 0.000 8.667) 19.800 14.845 ( 9.230 -0.000 -10.858) 14.251 15.170 ( -10.557 0.000 -11.488) 15.602 15.845 ( 14.238 -0.000 -6.383) 15.603 16.012 ( 3.061 -0.000 -7.568) 8.163 17.885 ( 0.681 -0.000 -4.634) 4.684 18.396 ( 1.018 -0.000 23.681) 23.703 25.580 ( -0.430 0.000 1.811) 1.861 25.733 ( -10.914 0.000 0.187) 10.915 27.386 ( 1.849 -0.000 -2.257) 2.918 27.470 ( -5.515 0.000 1.528) 5.722 27.569 ( -0.194 0.000 -0.348) 0.398 27.800 ( -12.628 0.000 -2.475) 12.869 30.644 ( 7.967 -0.000 -29.400) 30.461 31.524 ( 7.539 -0.000 26.058) 27.127 ======================= Grid point 581 (122/126) ======================= q-point: ( 0.55 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -14.807 -14.807 8.456) 22.583 3.223 ( -16.274 -16.274 9.482) 24.891 5.037 ( 2.723 2.723 -10.055) 10.767 5.767 ( 5.443 5.443 14.272) 16.216 6.012 ( -6.309 -6.309 -20.526) 22.381 6.101 ( -7.123 -7.123 5.944) 11.697 6.969 ( 4.022 4.022 -27.371) 27.956 7.354 ( 10.680 10.680 -4.572) 15.781 7.446 ( 6.908 6.908 -15.313) 18.164 7.749 ( 2.255 2.255 10.127) 10.618 7.872 ( 1.032 1.032 15.946) 16.013 7.940 ( -2.883 -2.883 14.673) 15.229 8.680 ( -8.348 -8.348 -8.646) 14.634 8.996 ( -2.831 -2.831 15.284) 15.800 10.114 ( 5.810 5.810 -0.801) 8.256 10.171 ( 4.450 4.450 3.111) 7.020 10.285 ( 2.273 2.273 -5.192) 6.106 10.440 ( -4.462 -4.462 1.734) 6.544 10.552 ( 2.896 2.896 4.392) 6.005 10.621 ( -1.157 -1.157 6.144) 6.358 12.182 ( -2.722 -2.722 8.324) 9.171 12.230 ( -6.118 -6.118 11.021) 14.012 14.956 ( -0.970 -0.970 -15.153) 15.215 15.048 ( -1.182 -1.182 -6.073) 6.299 15.975 ( 5.820 5.820 -8.235) 11.642 16.003 ( 3.761 3.761 -6.553) 8.440 17.890 ( -0.172 -0.172 -5.719) 5.724 18.402 ( 1.359 1.359 24.444) 24.520 25.615 ( -2.846 -2.846 1.332) 4.240 25.616 ( -2.950 -2.950 1.366) 4.389 27.403 ( 0.288 0.288 -1.473) 1.529 27.427 ( -1.176 -1.176 0.030) 1.664 27.599 ( -4.112 -4.112 -3.849) 6.973 27.684 ( -4.099 -4.099 2.007) 6.135 30.699 ( 3.890 3.890 -29.964) 30.464 31.575 ( 4.288 4.288 26.293) 26.983 ======================= Grid point 583 (123/126) ======================= q-point: (-0.36 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 4.003 -0.000 17.318) 17.774 3.433 ( -32.814 0.000 15.824) 36.430 5.055 ( 3.785 -0.000 9.753) 10.462 5.525 ( -1.140 0.000 -29.493) 29.515 5.573 ( -7.835 0.000 -27.977) 29.054 6.532 ( 2.270 0.000 -31.553) 31.635 6.603 ( -1.331 -0.000 43.975) 43.995 7.151 ( 18.107 -0.000 -19.408) 26.543 7.325 ( -4.343 0.000 -21.848) 22.276 7.872 ( 3.078 -0.000 5.430) 6.241 8.125 ( 4.401 -0.000 18.225) 18.748 8.177 ( -3.701 0.000 15.376) 15.816 8.487 ( -8.668 0.000 -7.727) 11.612 9.295 ( -0.046 -0.000 23.458) 23.458 10.102 ( 12.291 -0.000 -2.700) 12.584 10.232 ( -2.925 0.000 -2.223) 3.674 10.283 ( 4.239 -0.000 0.832) 4.320 10.390 ( -6.598 0.000 -1.039) 6.680 10.695 ( 2.142 -0.000 8.859) 9.114 10.718 ( -1.195 0.000 9.468) 9.543 12.364 ( -0.297 -0.000 18.112) 18.115 12.416 ( -7.888 0.000 17.663) 19.345 14.634 ( 0.795 0.000 -24.456) 24.469 14.932 ( -1.565 0.000 -8.131) 8.280 15.835 ( 6.958 -0.000 -14.181) 15.796 15.873 ( 1.521 0.000 -14.719) 14.798 17.884 ( -0.766 0.000 4.743) 4.805 18.792 ( 1.442 -0.000 24.397) 24.440 25.614 ( -0.230 -0.000 3.319) 3.327 25.646 ( -4.763 0.000 2.641) 5.446 27.355 ( 0.939 -0.000 -4.231) 4.334 27.392 ( -4.412 0.000 -3.459) 5.606 27.526 ( -2.379 0.000 -1.625) 2.881 27.710 ( -2.625 0.000 4.169) 4.927 30.277 ( 3.398 0.000 -28.563) 28.765 31.972 ( 4.334 -0.000 21.778) 22.205 ======================= Grid point 594 (124/126) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( -0.000 -0.000 20.043) 20.043 3.487 ( -0.000 -0.000 20.043) 20.043 5.058 ( 0.000 0.000 -29.445) 29.445 5.058 ( 0.000 0.000 -29.445) 29.445 5.368 ( -0.000 -0.000 26.605) 26.605 6.054 ( 0.000 0.000 -32.193) 32.193 6.912 ( 0.000 0.000 -27.554) 27.554 6.912 ( 0.000 0.000 -27.554) 27.554 7.222 ( -0.000 -0.000 34.620) 34.620 7.896 ( 0.000 0.000 -1.614) 1.614 8.293 ( 0.000 0.000 -8.364) 8.364 8.408 ( -0.000 -0.000 14.212) 14.212 8.408 ( -0.000 -0.000 14.212) 14.212 9.689 ( -0.000 -0.000 26.228) 26.228 10.183 ( 0.000 0.000 -1.521) 1.521 10.183 ( 0.000 0.000 -1.521) 1.521 10.278 ( 0.000 0.000 -4.152) 4.152 10.316 ( -0.000 -0.000 2.376) 2.376 10.868 ( -0.000 -0.000 10.822) 10.822 10.868 ( -0.000 -0.000 10.822) 10.822 12.679 ( -0.000 -0.000 23.166) 23.166 12.679 ( -0.000 -0.000 23.166) 23.166 14.238 ( 0.000 0.000 -26.305) 26.305 14.826 ( 0.000 0.000 -4.968) 4.968 15.613 ( 0.000 0.000 -20.579) 20.579 15.613 ( 0.000 0.000 -20.579) 20.579 17.996 ( -0.000 -0.000 10.053) 10.053 19.141 ( -0.000 -0.000 19.584) 19.584 25.671 ( -0.000 -0.000 4.261) 4.261 25.671 ( -0.000 -0.000 4.261) 4.261 27.287 ( 0.000 0.000 -5.363) 5.363 27.287 ( 0.000 0.000 -5.363) 5.363 27.495 ( -0.000 -0.000 0.085) 0.085 27.780 ( -0.000 -0.000 6.129) 6.129 29.889 ( 0.000 0.000 -24.797) 24.797 32.294 ( -0.000 -0.000 16.346) 16.346 ======================= Grid point 699 (125/126) ======================= q-point: (-0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 4.360 -0.000 -0.000) 4.360 3.172 ( -35.759 0.000 0.000) 35.759 5.317 ( 8.298 -0.000 -0.000) 8.298 5.389 ( -2.104 0.000 0.000) 2.104 6.100 ( 0.063 -0.000 -0.000) 0.063 6.182 ( -11.147 0.000 0.000) 11.147 7.293 ( 19.336 -0.000 -0.000) 19.336 7.424 ( 2.667 -0.000 -0.000) 2.667 7.632 ( 4.461 -0.000 -0.000) 4.461 7.693 ( -5.424 0.000 0.000) 5.424 7.719 ( 4.471 -0.000 -0.000) 4.471 7.766 ( -2.262 0.000 0.000) 2.262 8.685 ( 4.138 -0.000 -0.000) 4.138 8.840 ( -16.759 0.000 0.000) 16.759 10.115 ( 13.902 -0.000 -0.000) 13.902 10.271 ( -3.579 0.000 0.000) 3.579 10.304 ( 4.626 -0.000 -0.000) 4.626 10.394 ( -3.679 0.000 0.000) 3.679 10.542 ( 1.103 -0.000 -0.000) 1.103 10.559 ( -0.909 0.000 0.000) 0.909 12.069 ( -0.182 0.000 0.000) 0.182 12.131 ( -9.192 0.000 0.000) 9.192 15.031 ( 5.129 -0.000 -0.000) 5.129 15.121 ( -7.655 0.000 0.000) 7.655 16.057 ( 8.204 -0.000 -0.000) 8.204 16.103 ( 1.647 -0.000 -0.000) 1.647 18.060 ( 3.025 -0.000 -0.000) 3.025 18.094 ( -1.805 0.000 0.000) 1.805 25.561 ( -0.216 0.000 0.000) 0.216 25.605 ( -6.500 0.000 0.000) 6.500 27.424 ( 1.064 -0.000 -0.000) 1.064 27.426 ( -0.289 0.000 0.000) 0.289 27.574 ( 0.225 -0.000 -0.000) 0.225 27.652 ( -9.762 0.000 0.000) 9.762 31.166 ( 6.178 -0.000 -0.000) 6.178 31.194 ( 2.110 -0.000 -0.000) 2.110 ======================= Grid point 711 (126/126) ======================= q-point: ( 0.55 -0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 3.43e-04 3.43e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -0.000 -0.000 9.731) 9.731 2.987 ( -0.000 -0.000 9.731) 9.731 5.076 ( 0.000 0.000 -9.899) 9.899 5.921 ( 0.000 0.000 -21.568) 21.568 5.921 ( 0.000 0.000 -21.568) 21.568 5.921 ( -0.000 -0.000 41.765) 41.765 7.026 ( 0.000 0.000 -30.157) 30.157 7.559 ( 0.000 0.000 -12.426) 12.426 7.559 ( 0.000 0.000 -12.426) 12.426 7.737 ( -0.000 -0.000 14.169) 14.169 7.886 ( -0.000 -0.000 15.730) 15.730 7.886 ( -0.000 -0.000 15.730) 15.730 8.549 ( 0.000 0.000 -9.296) 9.296 8.958 ( -0.000 -0.000 19.445) 19.445 10.237 ( 0.000 0.000 -1.212) 1.212 10.237 ( 0.000 0.000 -1.212) 1.212 10.326 ( 0.000 0.000 -0.726) 0.726 10.335 ( 0.000 0.000 -0.247) 0.247 10.594 ( -0.000 -0.000 5.363) 5.363 10.594 ( -0.000 -0.000 5.363) 5.363 12.146 ( -0.000 -0.000 10.019) 10.019 12.146 ( -0.000 -0.000 10.019) 10.019 14.941 ( 0.000 0.000 -14.655) 14.655 15.030 ( 0.000 0.000 -5.736) 5.736 16.055 ( 0.000 0.000 -7.677) 7.677 16.055 ( 0.000 0.000 -7.677) 7.677 17.887 ( 0.000 0.000 -6.496) 6.496 18.420 ( -0.000 -0.000 24.883) 24.883 25.573 ( -0.000 -0.000 1.793) 1.793 25.573 ( -0.000 -0.000 1.793) 1.793 27.413 ( 0.000 0.000 -2.368) 2.368 27.413 ( 0.000 0.000 -2.368) 2.368 27.536 ( 0.000 0.000 -2.306) 2.306 27.626 ( -0.000 -0.000 3.795) 3.795 30.753 ( 0.000 0.000 -30.303) 30.303 31.635 ( -0.000 -0.000 26.399) 26.399 =================== 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 3/47916 10.0 1393.133 1393.133 5145.729 0.000 0.000 -0.000 3/47916 20.0 3166.217 3166.217 5441.721 0.000 0.000 -0.000 3/47916 30.0 1755.944 1755.944 1943.379 0.000 0.000 -0.000 3/47916 40.0 865.603 865.603 870.923 0.000 0.000 -0.000 3/47916 50.0 504.521 504.521 493.281 0.000 0.000 -0.000 3/47916 60.0 330.311 330.311 321.836 0.000 0.000 -0.000 3/47916 70.0 233.355 233.355 228.896 0.000 0.000 -0.000 3/47916 80.0 174.548 174.548 172.852 0.000 0.000 -0.000 3/47916 90.0 136.621 136.621 136.578 0.000 0.000 -0.000 3/47916 100.0 110.887 110.887 111.790 0.000 0.000 -0.000 3/47916 110.0 92.651 92.651 94.082 0.000 0.000 -0.000 3/47916 120.0 79.240 79.240 80.959 0.000 0.000 -0.000 3/47916 130.0 69.061 69.061 70.928 0.000 0.000 -0.000 3/47916 140.0 61.123 61.123 63.060 0.000 0.000 -0.000 3/47916 150.0 54.790 54.790 56.750 0.000 0.000 -0.000 3/47916 160.0 49.636 49.636 51.593 0.000 0.000 -0.000 3/47916 170.0 45.370 45.370 47.309 0.000 0.000 -0.000 3/47916 180.0 41.787 41.787 43.699 0.000 0.000 -0.000 3/47916 190.0 38.738 38.738 40.620 0.000 0.000 -0.000 3/47916 200.0 36.115 36.115 37.964 0.000 0.000 -0.000 3/47916 210.0 33.835 33.835 35.651 0.000 0.000 -0.000 3/47916 220.0 31.836 31.836 33.619 0.000 0.000 -0.000 3/47916 230.0 30.069 30.069 31.821 0.000 0.000 -0.000 3/47916 240.0 28.497 28.497 30.219 0.000 0.000 -0.000 3/47916 250.0 27.088 27.088 28.782 0.000 0.000 -0.000 3/47916 260.0 25.819 25.819 27.485 0.000 0.000 -0.000 3/47916 270.0 24.670 24.670 26.310 0.000 0.000 -0.000 3/47916 280.0 23.624 23.624 25.239 0.000 0.000 -0.000 3/47916 290.0 22.669 22.669 24.259 0.000 0.000 -0.000 3/47916 300.0 21.792 21.792 23.359 0.000 0.000 -0.000 3/47916 310.0 20.984 20.984 22.529 0.000 0.000 -0.000 3/47916 320.0 20.238 20.238 21.761 0.000 0.000 -0.000 3/47916 330.0 19.546 19.546 21.048 0.000 0.000 -0.000 3/47916 340.0 18.902 18.902 20.385 0.000 0.000 -0.000 3/47916 350.0 18.302 18.302 19.765 0.000 0.000 -0.000 3/47916 360.0 17.741 17.741 19.185 0.000 0.000 -0.000 3/47916 370.0 17.215 17.215 18.641 0.000 0.000 -0.000 3/47916 380.0 16.722 16.722 18.129 0.000 0.000 -0.000 3/47916 390.0 16.257 16.257 17.647 0.000 0.000 -0.000 3/47916 400.0 15.819 15.819 17.192 0.000 0.000 -0.000 3/47916 410.0 15.405 15.405 16.761 0.000 0.000 -0.000 3/47916 420.0 15.013 15.013 16.353 0.000 0.000 -0.000 3/47916 430.0 14.642 14.642 15.965 0.000 0.000 -0.000 3/47916 440.0 14.290 14.290 15.597 0.000 0.000 -0.000 3/47916 450.0 13.955 13.955 15.246 0.000 0.000 -0.000 3/47916 460.0 13.636 13.636 14.912 0.000 0.000 -0.000 3/47916 470.0 13.332 13.332 14.593 0.000 0.000 -0.000 3/47916 480.0 13.041 13.041 14.288 0.000 0.000 -0.000 3/47916 490.0 12.764 12.764 13.996 0.000 0.000 -0.000 3/47916 500.0 12.499 12.499 13.716 0.000 0.000 -0.000 3/47916 510.0 12.245 12.245 13.448 0.000 0.000 -0.000 3/47916 520.0 12.001 12.001 13.190 0.000 0.000 -0.000 3/47916 530.0 11.767 11.767 12.943 0.000 0.000 -0.000 3/47916 540.0 11.543 11.543 12.705 0.000 0.000 -0.000 3/47916 550.0 11.327 11.327 12.476 0.000 0.000 -0.000 3/47916 560.0 11.119 11.119 12.256 0.000 0.000 -0.000 3/47916 570.0 10.919 10.919 12.043 0.000 0.000 -0.000 3/47916 580.0 10.727 10.727 11.838 0.000 0.000 -0.000 3/47916 590.0 10.541 10.541 11.640 0.000 0.000 -0.000 3/47916 600.0 10.362 10.362 11.449 0.000 0.000 -0.000 3/47916 610.0 10.189 10.189 11.264 0.000 0.000 -0.000 3/47916 620.0 10.021 10.021 11.085 0.000 0.000 -0.000 3/47916 630.0 9.860 9.860 10.912 0.000 0.000 -0.000 3/47916 640.0 9.703 9.703 10.744 0.000 0.000 -0.000 3/47916 650.0 9.552 9.552 10.581 0.000 0.000 -0.000 3/47916 660.0 9.405 9.405 10.424 0.000 0.000 -0.000 3/47916 670.0 9.263 9.263 10.271 0.000 0.000 -0.000 3/47916 680.0 9.125 9.125 10.122 0.000 0.000 -0.000 3/47916 690.0 8.991 8.991 9.978 0.000 0.000 -0.000 3/47916 700.0 8.862 8.862 9.838 0.000 0.000 -0.000 3/47916 710.0 8.736 8.736 9.702 0.000 0.000 -0.000 3/47916 720.0 8.613 8.613 9.570 0.000 0.000 -0.000 3/47916 730.0 8.494 8.494 9.442 0.000 0.000 -0.000 3/47916 740.0 8.379 8.379 9.316 0.000 0.000 -0.000 3/47916 750.0 8.266 8.266 9.194 0.000 0.000 -0.000 3/47916 760.0 8.157 8.157 9.076 0.000 0.000 -0.000 3/47916 770.0 8.050 8.050 8.960 0.000 0.000 -0.000 3/47916 780.0 7.946 7.946 8.848 0.000 0.000 -0.000 3/47916 790.0 7.845 7.845 8.738 0.000 0.000 -0.000 3/47916 800.0 7.747 7.747 8.631 0.000 0.000 -0.000 3/47916 810.0 7.651 7.651 8.526 0.000 0.000 -0.000 3/47916 820.0 7.557 7.557 8.424 0.000 0.000 -0.000 3/47916 830.0 7.466 7.466 8.325 0.000 0.000 -0.000 3/47916 840.0 7.376 7.376 8.227 0.000 0.000 -0.000 3/47916 850.0 7.289 7.289 8.132 0.000 0.000 -0.000 3/47916 860.0 7.204 7.204 8.040 0.000 0.000 -0.000 3/47916 870.0 7.121 7.121 7.949 0.000 0.000 -0.000 3/47916 880.0 7.040 7.040 7.860 0.000 0.000 -0.000 3/47916 890.0 6.961 6.961 7.774 0.000 0.000 -0.000 3/47916 900.0 6.884 6.884 7.689 0.000 0.000 -0.000 3/47916 910.0 6.808 6.808 7.606 0.000 0.000 -0.000 3/47916 920.0 6.734 6.734 7.525 0.000 0.000 -0.000 3/47916 930.0 6.661 6.661 7.445 0.000 0.000 -0.000 3/47916 940.0 6.590 6.590 7.368 0.000 0.000 -0.000 3/47916 950.0 6.521 6.521 7.291 0.000 0.000 -0.000 3/47916 960.0 6.453 6.453 7.217 0.000 0.000 -0.000 3/47916 970.0 6.387 6.387 7.144 0.000 0.000 -0.000 3/47916 980.0 6.321 6.321 7.072 0.000 0.000 -0.000 3/47916 990.0 6.258 6.258 7.002 0.000 0.000 -0.000 3/47916 1000.0 6.195 6.195 6.933 0.000 0.000 -0.000 3/47916 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:29:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|