----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:19:18]------------------------- 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 -3.280715325000000 3.280715325000000 2.980245605000000 b 3.280715325000000 -3.280715325000000 2.980245605000000 c 3.280715325000000 3.280715325000000 -2.980245605000000 Atomic positions (fractional): *1 O 0.06742922459787 0.38214764923288 0.31471842463501 15.999 2 O 0.13214764923288 0.31742922459787 0.81471842463501 15.999 3 O 0.50271079996286 0.31742922459787 0.18528157536499 15.999 4 O 0.06742922459787 0.75271079996286 0.68528157536499 15.999 5 O 0.61785235076712 0.93257077540213 0.68528157536499 15.999 6 O 0.68257077540213 0.86785235076712 0.18528157536499 15.999 7 O 0.68257077540213 0.49728920003714 0.81471842463501 15.999 8 O 0.24728920003714 0.93257077540213 0.31471842463501 15.999 *9 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 10 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 *11 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.561430650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.561430650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.960491210000000 Atomic positions (fractional): *1 O 0.81471842463501 0.50000000000000 0.56742922459787 15.999 > 1 2 O 0.50000000000000 0.31471842463501 0.81742922459787 15.999 > 2 3 O 0.00000000000000 0.18528157536499 0.31742922459787 15.999 > 3 4 O 0.18528157536499 0.50000000000000 0.56742922459787 15.999 > 4 5 O 0.00000000000000 0.68528157536499 0.93257077540213 15.999 > 5 6 O 0.18528157536499 0.00000000000000 0.68257077540213 15.999 > 6 7 O 0.31471842463501 0.50000000000000 0.18257077540213 15.999 > 7 8 O 0.00000000000000 0.31471842463501 0.93257077540213 15.999 > 8 9 O 0.31471842463501 0.00000000000000 0.06742922459787 15.999 > 1 10 O 0.00000000000000 0.81471842463501 0.31742922459787 15.999 > 2 11 O 0.50000000000000 0.68528157536499 0.81742922459787 15.999 > 3 12 O 0.68528157536499 0.00000000000000 0.06742922459787 15.999 > 4 13 O 0.50000000000000 0.18528157536499 0.43257077540213 15.999 > 5 14 O 0.68528157536499 0.50000000000000 0.18257077540213 15.999 > 6 15 O 0.81471842463501 0.00000000000000 0.68257077540213 15.999 > 7 16 O 0.50000000000000 0.81471842463501 0.43257077540213 15.999 > 8 *17 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 9 18 Si 0.00000000000000 0.50000000000000 0.75000000000000 28.085 > 10 19 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 9 20 Si 0.50000000000000 0.00000000000000 0.25000000000000 28.085 > 10 *21 Hf 0.50000000000000 0.00000000000000 0.75000000000000 178.490 > 11 22 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 12 23 Hf 0.00000000000000 0.50000000000000 0.25000000000000 178.490 > 11 24 Hf 0.50000000000000 0.50000000000000 0.50000000000000 178.490 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.561430650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.561430650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.920982420000000 Atomic positions (fractional): *1 O 0.81471842463501 0.50000000000000 0.28371461229894 15.999 > 1 2 O 0.81471842463501 0.50000000000000 0.78371461229894 15.999 > 1 3 O 0.50000000000000 0.31471842463501 0.40871461229894 15.999 > 2 4 O 0.50000000000000 0.31471842463501 0.90871461229894 15.999 > 2 5 O 0.00000000000000 0.18528157536499 0.15871461229894 15.999 > 3 6 O 0.00000000000000 0.18528157536499 0.65871461229894 15.999 > 3 7 O 0.18528157536499 0.50000000000000 0.28371461229894 15.999 > 4 8 O 0.18528157536499 0.50000000000000 0.78371461229894 15.999 > 4 9 O 0.00000000000000 0.68528157536499 0.46628538770106 15.999 > 5 10 O 0.00000000000000 0.68528157536499 0.96628538770106 15.999 > 5 11 O 0.18528157536499 0.00000000000000 0.34128538770106 15.999 > 6 12 O 0.18528157536499 0.00000000000000 0.84128538770106 15.999 > 6 13 O 0.31471842463501 0.50000000000000 0.09128538770106 15.999 > 7 14 O 0.31471842463501 0.50000000000000 0.59128538770106 15.999 > 7 15 O 0.00000000000000 0.31471842463501 0.46628538770106 15.999 > 8 16 O 0.00000000000000 0.31471842463501 0.96628538770106 15.999 > 8 17 O 0.31471842463501 0.00000000000000 0.03371461229894 15.999 > 1 18 O 0.31471842463501 0.00000000000000 0.53371461229894 15.999 > 1 19 O 0.00000000000000 0.81471842463501 0.15871461229894 15.999 > 2 20 O 0.00000000000000 0.81471842463501 0.65871461229894 15.999 > 2 21 O 0.50000000000000 0.68528157536499 0.40871461229894 15.999 > 3 22 O 0.50000000000000 0.68528157536499 0.90871461229894 15.999 > 3 23 O 0.68528157536499 0.00000000000000 0.03371461229894 15.999 > 4 24 O 0.68528157536499 0.00000000000000 0.53371461229894 15.999 > 4 25 O 0.50000000000000 0.18528157536499 0.21628538770106 15.999 > 5 26 O 0.50000000000000 0.18528157536499 0.71628538770106 15.999 > 5 27 O 0.68528157536499 0.50000000000000 0.09128538770106 15.999 > 6 28 O 0.68528157536499 0.50000000000000 0.59128538770106 15.999 > 6 29 O 0.81471842463501 0.00000000000000 0.34128538770106 15.999 > 7 30 O 0.81471842463501 0.00000000000000 0.84128538770106 15.999 > 7 31 O 0.50000000000000 0.81471842463501 0.21628538770106 15.999 > 8 32 O 0.50000000000000 0.81471842463501 0.71628538770106 15.999 > 8 *33 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 9 34 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 9 35 Si 0.00000000000000 0.50000000000000 0.37500000000000 28.085 > 10 36 Si 0.00000000000000 0.50000000000000 0.87500000000000 28.085 > 10 37 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 9 38 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 9 39 Si 0.50000000000000 0.00000000000000 0.12500000000000 28.085 > 10 40 Si 0.50000000000000 0.00000000000000 0.62500000000000 28.085 > 10 *41 Hf 0.50000000000000 0.00000000000000 0.37500000000000 178.490 > 11 42 Hf 0.50000000000000 0.00000000000000 0.87500000000000 178.490 > 11 43 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 12 44 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 12 45 Hf 0.00000000000000 0.50000000000000 0.12500000000000 178.490 > 11 46 Hf 0.00000000000000 0.50000000000000 0.62500000000000 178.490 > 11 47 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 12 48 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8875326 0.0000000 0.0000000 0.0000000 3.8875326 0.0000000 0.0000000 0.0000000 4.1205347 -------------------------- Born effective charges -------------------------- 1 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 2 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 3 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 4 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 5 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 6 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 7 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 8 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 9 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 10 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 11 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 12 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 ---------------------------------------------------------------------------- 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: 0.070 Solver_block: 160 / 160 - Time: 0.031 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:19:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:19:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 -3.280715325000000 3.280715325000000 2.980245605000000 b 3.280715325000000 -3.280715325000000 2.980245605000000 c 3.280715325000000 3.280715325000000 -2.980245605000000 Atomic positions (fractional): 1 O 0.06742922459787 0.38214764923288 0.31471842463501 15.999 2 O 0.13214764923288 0.31742922459787 0.81471842463501 15.999 3 O 0.50271079996286 0.31742922459787 0.18528157536499 15.999 4 O 0.06742922459787 0.75271079996286 0.68528157536499 15.999 5 O 0.61785235076712 0.93257077540213 0.68528157536499 15.999 6 O 0.68257077540213 0.86785235076712 0.18528157536499 15.999 7 O 0.68257077540213 0.49728920003714 0.81471842463501 15.999 8 O 0.24728920003714 0.93257077540213 0.31471842463501 15.999 9 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 10 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 11 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.561430650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.561430650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.920982420000000 Atomic positions (fractional): 1 O 0.81471842463501 0.50000000000000 0.28371461229894 15.999 > 1 2 O 0.81471842463501 0.50000000000000 0.78371461229894 15.999 > 1 3 O 0.50000000000000 0.31471842463501 0.40871461229894 15.999 > 3 4 O 0.50000000000000 0.31471842463501 0.90871461229894 15.999 > 3 5 O 0.00000000000000 0.18528157536499 0.15871461229894 15.999 > 5 6 O 0.00000000000000 0.18528157536499 0.65871461229894 15.999 > 5 7 O 0.18528157536499 0.50000000000000 0.28371461229894 15.999 > 7 8 O 0.18528157536499 0.50000000000000 0.78371461229894 15.999 > 7 9 O 0.00000000000000 0.68528157536499 0.46628538770106 15.999 > 9 10 O 0.00000000000000 0.68528157536499 0.96628538770106 15.999 > 9 11 O 0.18528157536499 0.00000000000000 0.34128538770106 15.999 > 11 12 O 0.18528157536499 0.00000000000000 0.84128538770106 15.999 > 11 13 O 0.31471842463501 0.50000000000000 0.09128538770106 15.999 > 13 14 O 0.31471842463501 0.50000000000000 0.59128538770106 15.999 > 13 15 O 0.00000000000000 0.31471842463501 0.46628538770106 15.999 > 15 16 O 0.00000000000000 0.31471842463501 0.96628538770106 15.999 > 15 17 O 0.31471842463501 0.00000000000000 0.03371461229894 15.999 > 1 18 O 0.31471842463501 0.00000000000000 0.53371461229894 15.999 > 1 19 O 0.00000000000000 0.81471842463501 0.15871461229894 15.999 > 3 20 O 0.00000000000000 0.81471842463501 0.65871461229894 15.999 > 3 21 O 0.50000000000000 0.68528157536499 0.40871461229894 15.999 > 5 22 O 0.50000000000000 0.68528157536499 0.90871461229894 15.999 > 5 23 O 0.68528157536499 0.00000000000000 0.03371461229894 15.999 > 7 24 O 0.68528157536499 0.00000000000000 0.53371461229894 15.999 > 7 25 O 0.50000000000000 0.18528157536499 0.21628538770106 15.999 > 9 26 O 0.50000000000000 0.18528157536499 0.71628538770106 15.999 > 9 27 O 0.68528157536499 0.50000000000000 0.09128538770106 15.999 > 11 28 O 0.68528157536499 0.50000000000000 0.59128538770106 15.999 > 11 29 O 0.81471842463501 0.00000000000000 0.34128538770106 15.999 > 13 30 O 0.81471842463501 0.00000000000000 0.84128538770106 15.999 > 13 31 O 0.50000000000000 0.81471842463501 0.21628538770106 15.999 > 15 32 O 0.50000000000000 0.81471842463501 0.71628538770106 15.999 > 15 33 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 33 34 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 33 35 Si 0.00000000000000 0.50000000000000 0.37500000000000 28.085 > 35 36 Si 0.00000000000000 0.50000000000000 0.87500000000000 28.085 > 35 37 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 33 38 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 33 39 Si 0.50000000000000 0.00000000000000 0.12500000000000 28.085 > 35 40 Si 0.50000000000000 0.00000000000000 0.62500000000000 28.085 > 35 41 Hf 0.50000000000000 0.00000000000000 0.37500000000000 178.490 > 41 42 Hf 0.50000000000000 0.00000000000000 0.87500000000000 178.490 > 41 43 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 43 44 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 43 45 Hf 0.00000000000000 0.50000000000000 0.12500000000000 178.490 > 41 46 Hf 0.00000000000000 0.50000000000000 0.62500000000000 178.490 > 41 47 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 43 48 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8875326 0.0000000 0.0000000 0.0000000 3.8875326 0.0000000 0.0000000 0.0000000 4.1205347 -------------------------- Born effective charges -------------------------- 1 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 2 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 3 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 4 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 5 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 6 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 7 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 8 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 9 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 10 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 11 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 12 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 ---------------------------------------------------------------------------- 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: 0.00000019 (yzy) 0.00000019 (yzy) 0.00000019 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:19:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:19:25]------------------------- 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 -3.280715325000000 3.280715325000000 2.980245605000000 b 3.280715325000000 -3.280715325000000 2.980245605000000 c 3.280715325000000 3.280715325000000 -2.980245605000000 Atomic positions (fractional): 1 O 0.06742922459787 0.38214764923288 0.31471842463501 15.999 2 O 0.13214764923288 0.31742922459787 0.81471842463501 15.999 3 O 0.50271079996286 0.31742922459787 0.18528157536499 15.999 4 O 0.06742922459787 0.75271079996286 0.68528157536499 15.999 5 O 0.61785235076712 0.93257077540213 0.68528157536499 15.999 6 O 0.68257077540213 0.86785235076712 0.18528157536499 15.999 7 O 0.68257077540213 0.49728920003714 0.81471842463501 15.999 8 O 0.24728920003714 0.93257077540213 0.31471842463501 15.999 9 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 10 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 11 Hf 0.75000000000000 0.25000000000000 0.50000000000000 178.490 12 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.561430650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.561430650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.920982420000000 Atomic positions (fractional): 1 O 0.81471842463501 0.50000000000000 0.28371461229894 15.999 > 1 2 O 0.81471842463501 0.50000000000000 0.78371461229894 15.999 > 1 3 O 0.50000000000000 0.31471842463501 0.40871461229894 15.999 > 3 4 O 0.50000000000000 0.31471842463501 0.90871461229894 15.999 > 3 5 O 0.00000000000000 0.18528157536499 0.15871461229894 15.999 > 5 6 O 0.00000000000000 0.18528157536499 0.65871461229894 15.999 > 5 7 O 0.18528157536499 0.50000000000000 0.28371461229894 15.999 > 7 8 O 0.18528157536499 0.50000000000000 0.78371461229894 15.999 > 7 9 O 0.00000000000000 0.68528157536499 0.46628538770106 15.999 > 9 10 O 0.00000000000000 0.68528157536499 0.96628538770106 15.999 > 9 11 O 0.18528157536499 0.00000000000000 0.34128538770106 15.999 > 11 12 O 0.18528157536499 0.00000000000000 0.84128538770106 15.999 > 11 13 O 0.31471842463501 0.50000000000000 0.09128538770106 15.999 > 13 14 O 0.31471842463501 0.50000000000000 0.59128538770106 15.999 > 13 15 O 0.00000000000000 0.31471842463501 0.46628538770106 15.999 > 15 16 O 0.00000000000000 0.31471842463501 0.96628538770106 15.999 > 15 17 O 0.31471842463501 0.00000000000000 0.03371461229894 15.999 > 1 18 O 0.31471842463501 0.00000000000000 0.53371461229894 15.999 > 1 19 O 0.00000000000000 0.81471842463501 0.15871461229894 15.999 > 3 20 O 0.00000000000000 0.81471842463501 0.65871461229894 15.999 > 3 21 O 0.50000000000000 0.68528157536499 0.40871461229894 15.999 > 5 22 O 0.50000000000000 0.68528157536499 0.90871461229894 15.999 > 5 23 O 0.68528157536499 0.00000000000000 0.03371461229894 15.999 > 7 24 O 0.68528157536499 0.00000000000000 0.53371461229894 15.999 > 7 25 O 0.50000000000000 0.18528157536499 0.21628538770106 15.999 > 9 26 O 0.50000000000000 0.18528157536499 0.71628538770106 15.999 > 9 27 O 0.68528157536499 0.50000000000000 0.09128538770106 15.999 > 11 28 O 0.68528157536499 0.50000000000000 0.59128538770106 15.999 > 11 29 O 0.81471842463501 0.00000000000000 0.34128538770106 15.999 > 13 30 O 0.81471842463501 0.00000000000000 0.84128538770106 15.999 > 13 31 O 0.50000000000000 0.81471842463501 0.21628538770106 15.999 > 15 32 O 0.50000000000000 0.81471842463501 0.71628538770106 15.999 > 15 33 Si 0.00000000000000 0.00000000000000 0.25000000000000 28.085 > 33 34 Si 0.00000000000000 0.00000000000000 0.75000000000000 28.085 > 33 35 Si 0.00000000000000 0.50000000000000 0.37500000000000 28.085 > 35 36 Si 0.00000000000000 0.50000000000000 0.87500000000000 28.085 > 35 37 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 33 38 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 33 39 Si 0.50000000000000 0.00000000000000 0.12500000000000 28.085 > 35 40 Si 0.50000000000000 0.00000000000000 0.62500000000000 28.085 > 35 41 Hf 0.50000000000000 0.00000000000000 0.37500000000000 178.490 > 41 42 Hf 0.50000000000000 0.00000000000000 0.87500000000000 178.490 > 41 43 Hf 0.00000000000000 0.00000000000000 0.00000000000000 178.490 > 43 44 Hf 0.00000000000000 0.00000000000000 0.50000000000000 178.490 > 43 45 Hf 0.00000000000000 0.50000000000000 0.12500000000000 178.490 > 41 46 Hf 0.00000000000000 0.50000000000000 0.62500000000000 178.490 > 41 47 Hf 0.50000000000000 0.50000000000000 0.25000000000000 178.490 > 43 48 Hf 0.50000000000000 0.50000000000000 0.75000000000000 178.490 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8875326 0.0000000 0.0000000 0.0000000 3.8875326 0.0000000 0.0000000 0.0000000 4.1205347 -------------------------- Born effective charges -------------------------- 1 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 2 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 3 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 4 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 5 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 -0.3240898 0.0000000 -0.1574392 -2.2131078 6 O -3.0627357 0.0000000 -0.3240898 0.0000000 -1.1506377 0.0000000 -0.1574392 0.0000000 -2.2131078 7 O -3.0627357 0.0000000 0.3240898 0.0000000 -1.1506377 0.0000000 0.1574392 0.0000000 -2.2131078 8 O -1.1506377 0.0000000 0.0000000 0.0000000 -3.0627357 0.3240898 0.0000000 0.1574392 -2.2131078 9 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 10 Si 3.1547663 0.0000000 0.0000000 0.0000000 3.1547663 0.0000000 0.0000000 0.0000000 4.2450395 11 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 12 Hf 5.2719804 0.0000000 0.0000000 0.0000000 5.2719804 0.0000000 0.0000000 0.0000000 4.6073918 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000019 (yzy) 0.00000019 (yzy) 0.00000019 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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 5.25e-05 5.25e-05 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 4.081 ( -0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 -0.000) 0.000 6.169 ( 0.000 0.000 -0.000) 0.000 6.169 ( 0.000 0.000 -0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 -0.000 -0.000) 0.000 7.454 ( 0.000 -0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 -0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 -0.000) 0.000 11.185 ( -0.000 0.000 0.000) 0.000 11.185 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 -0.000) 0.000 11.870 ( 0.000 0.000 -0.000) 0.000 12.300 ( 0.000 -0.000 0.000) 0.000 12.300 ( -0.000 0.000 -0.000) 0.000 12.915 ( 0.000 -0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 15.709 ( 0.000 0.000 0.000) 0.000 16.654 ( -0.000 -0.000 0.000) 0.000 17.439 ( 0.000 0.000 0.000) 0.000 18.624 ( 0.000 0.000 0.000) 0.000 25.981 ( -0.000 0.000 -0.000) 0.000 25.981 ( -0.000 0.000 -0.000) 0.000 27.669 ( -0.000 0.000 -0.000) 0.000 27.669 ( 0.000 -0.000 0.000) 0.000 27.985 ( 0.000 0.000 0.000) 0.000 28.923 ( -0.000 0.000 -0.000) 0.000 29.407 ( -0.000 0.000 -0.000) 0.000 30.504 ( 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 12.859 33.389) 35.780 0.972 ( -0.000 37.316 29.318) 47.456 1.561 ( -0.000 40.579 62.883) 74.839 4.180 ( -0.000 9.350 4.117) 10.217 4.694 ( -0.000 -1.486 5.786) 5.973 4.844 ( 0.000 -0.077 -3.844) 3.845 4.892 ( -0.000 6.222 -3.041) 6.926 6.104 ( 0.000 4.010 -11.589) 12.263 6.115 ( 0.000 5.279 -10.541) 11.789 7.410 ( -0.000 -0.630 3.651) 3.705 7.517 ( -0.000 2.243 4.901) 5.390 7.661 ( -0.000 3.169 3.207) 4.508 7.819 ( -0.000 29.818 -27.369) 40.475 10.207 ( 0.000 -21.015 3.324) 21.276 10.349 ( 0.000 0.418 -2.196) 2.235 10.750 ( 0.000 -33.541 43.796) 55.164 11.248 ( -0.000 -1.448 8.438) 8.562 11.645 ( 0.000 -9.404 -9.133) 13.109 11.802 ( 0.000 -5.168 -4.031) 6.554 11.848 ( 0.000 -17.671 7.338) 19.134 12.343 ( -0.000 -1.080 7.039) 7.121 12.879 ( -0.000 34.215 -26.318) 43.166 13.088 ( -0.000 20.814 -2.747) 20.994 15.627 ( 0.000 -6.973 -4.337) 8.212 15.664 ( 0.000 1.213 -6.878) 6.984 16.497 ( 0.000 -0.300 -18.191) 18.193 18.258 ( 0.000 -51.318 49.236) 71.117 18.779 ( -0.000 -0.283 18.357) 18.359 25.997 ( -0.000 -0.309 2.290) 2.311 27.161 ( -0.000 96.768 -88.909) 131.411 27.607 ( 0.000 -4.979 -3.187) 5.912 27.656 ( 0.000 0.197 -1.827) 1.838 28.020 ( -0.000 2.231 1.852) 2.900 28.862 ( 0.000 0.221 -7.440) 7.444 30.468 ( 0.000 0.038 -4.681) 4.681 32.136 ( 0.000 -58.197 58.414) 82.457 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 11.849 31.413) 33.573 1.919 ( -0.000 34.536 29.260) 45.265 3.001 ( -0.000 36.213 54.717) 65.615 4.444 ( -0.000 15.734 6.817) 17.147 4.750 ( 0.000 -0.730 -7.743) 7.777 4.763 ( -0.000 -3.287 6.704) 7.466 4.963 ( -0.000 11.272 -3.321) 11.751 5.956 ( 0.000 5.343 -15.237) 16.146 6.050 ( -0.000 10.810 -10.798) 15.279 7.479 ( -0.000 -0.354 5.744) 5.755 7.629 ( -0.000 2.920 4.447) 5.320 7.797 ( -0.000 9.446 -11.695) 15.034 7.823 ( -0.000 8.252 8.040) 11.521 9.923 ( 0.000 -21.412 -1.572) 21.470 10.317 ( 0.000 1.145 -3.082) 3.288 10.897 ( 0.000 -17.518 19.192) 25.985 11.332 ( 0.000 -6.839 6.240) 9.258 11.338 ( 0.000 -8.947 -12.054) 15.012 11.630 ( 0.000 -7.203 -4.783) 8.646 11.704 ( 0.000 -18.710 8.018) 20.356 12.502 ( -0.000 -1.190 16.427) 16.470 13.017 ( -0.000 26.493 -10.880) 28.640 13.351 ( -0.000 20.087 -0.934) 20.109 15.396 ( 0.000 -12.603 -7.392) 14.611 15.537 ( 0.000 2.295 -12.856) 13.059 16.168 ( 0.000 -0.405 -22.473) 22.476 18.316 ( 0.000 -22.663 25.405) 34.045 19.100 ( -0.000 -0.664 22.623) 22.632 26.039 ( -0.000 -0.631 3.778) 3.830 27.139 ( -0.000 42.331 -40.204) 58.380 27.439 ( 0.000 -7.435 -7.587) 10.623 27.622 ( 0.000 0.449 -3.045) 3.078 28.088 ( -0.000 2.114 3.046) 3.707 28.734 ( 0.000 1.320 -9.744) 9.833 30.368 ( 0.000 0.078 -8.247) 8.247 32.245 ( 0.000 -26.699 32.444) 42.018 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -0.000 10.231 27.676) 29.506 2.806 ( -0.000 29.399 28.320) 40.820 4.168 ( -0.000 28.588 35.475) 45.561 4.583 ( 0.000 -1.186 -11.569) 11.630 4.796 ( -0.000 16.610 8.151) 18.503 4.813 ( -0.000 -3.479 7.738) 8.484 5.103 ( -0.000 13.703 -0.500) 13.712 5.811 ( 0.000 4.629 -12.367) 13.205 6.113 ( -0.000 13.471 -3.331) 13.877 7.560 ( -0.000 -0.416 5.279) 5.295 7.703 ( 0.000 -0.229 -9.870) 9.873 7.731 ( -0.000 2.791 3.671) 4.612 8.122 ( -0.000 13.546 10.743) 17.289 9.605 ( 0.000 -17.472 -2.639) 17.670 10.294 ( 0.000 1.849 -2.584) 3.177 10.815 ( 0.000 -15.214 1.539) 15.292 11.079 ( 0.000 -6.646 -7.895) 10.320 11.139 ( 0.000 -16.199 -8.230) 18.170 11.549 ( 0.000 -3.948 2.432) 4.637 11.580 ( 0.000 -14.037 4.858) 14.854 12.804 ( -0.000 -0.911 24.094) 24.111 13.271 ( -0.000 19.152 1.726) 19.230 13.597 ( -0.000 18.981 -2.683) 19.170 15.089 ( 0.000 -15.104 -6.042) 16.268 15.344 ( 0.000 2.976 -16.928) 17.188 15.830 ( 0.000 -0.790 -20.310) 20.325 18.398 ( -0.000 -11.896 16.491) 20.334 19.411 ( -0.000 -1.094 19.042) 19.073 26.089 ( -0.000 -0.857 3.987) 4.078 27.110 ( -0.000 16.923 -17.856) 24.601 27.179 ( 0.000 -2.898 -15.896) 16.158 27.580 ( 0.000 0.668 -3.253) 3.321 28.171 ( -0.000 1.288 4.661) 4.836 28.624 ( 0.000 2.311 -7.757) 8.094 30.229 ( 0.000 0.083 -9.659) 9.659 32.370 ( -0.000 -15.159 21.446) 26.262 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -0.000 7.751 21.187) 22.561 3.572 ( -0.000 21.669 24.628) 32.804 4.372 ( 0.000 -2.546 -11.779) 12.051 4.633 ( -0.000 2.487 0.548) 2.546 5.027 ( -0.000 14.341 4.559) 15.048 5.131 ( -0.000 14.022 6.960) 15.654 5.402 ( -0.000 11.205 18.324) 21.479 5.706 ( 0.000 2.184 -8.059) 8.350 6.288 ( -0.000 10.954 2.724) 11.288 7.475 ( 0.000 -8.404 -11.572) 14.302 7.624 ( -0.000 -0.044 3.470) 3.470 7.810 ( -0.000 1.457 2.644) 3.019 8.503 ( -0.000 16.065 11.084) 19.518 9.418 ( 0.000 -6.202 0.418) 6.216 10.290 ( -0.000 1.511 -1.030) 1.829 10.618 ( 0.000 -10.603 -1.513) 10.710 10.736 ( 0.000 -17.289 -11.932) 21.006 10.879 ( 0.000 -6.243 -6.907) 9.310 11.452 ( 0.000 -8.877 -0.417) 8.887 11.530 ( 0.000 -3.587 1.605) 3.929 13.168 ( -0.000 -0.944 23.617) 23.636 13.555 ( -0.000 10.026 7.487) 12.513 13.780 ( -0.000 15.663 -5.555) 16.619 14.841 ( 0.000 -12.911 0.419) 12.918 15.119 ( 0.000 2.828 -17.074) 17.307 15.536 ( 0.000 -0.798 -16.344) 16.363 18.481 ( -0.000 -5.731 9.998) 11.524 19.636 ( -0.000 -1.125 12.237) 12.288 26.131 ( -0.000 -0.784 2.940) 3.043 26.887 ( 0.000 -9.156 -8.625) 12.579 27.091 ( -0.000 13.840 -13.778) 19.530 27.545 ( 0.000 0.647 -2.423) 2.508 28.263 ( -0.000 0.364 5.618) 5.629 28.557 ( 0.000 2.235 -5.456) 5.896 30.091 ( 0.000 0.042 -8.046) 8.046 32.469 ( -0.000 -8.211 12.639) 15.072 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -0.000 3.263 8.944) 9.521 4.111 ( -0.000 10.967 13.880) 17.690 4.195 ( 0.000 -1.565 -5.854) 6.059 4.566 ( 0.000 -4.395 -4.014) 5.952 5.194 ( -0.000 8.599 -2.305) 8.902 5.372 ( -0.000 7.077 4.254) 8.257 5.616 ( 0.000 -1.064 -4.296) 4.426 5.767 ( -0.000 4.103 10.094) 10.896 6.457 ( -0.000 5.101 3.099) 5.968 7.193 ( 0.000 -6.965 -7.103) 9.948 7.661 ( -0.000 0.101 1.222) 1.226 7.849 ( -0.000 0.321 0.913) 0.968 8.838 ( -0.000 9.346 6.144) 11.184 9.410 ( -0.000 0.416 1.225) 1.294 10.292 ( 0.000 -2.225 0.827) 2.374 10.384 ( 0.000 -6.722 -7.769) 10.273 10.509 ( 0.000 -4.446 0.989) 4.555 10.716 ( 0.000 -2.613 -4.732) 5.406 11.350 ( 0.000 -3.220 -1.012) 3.375 11.507 ( 0.000 -1.530 0.428) 1.588 13.438 ( -0.000 -0.555 10.957) 10.971 13.752 ( -0.000 1.333 7.901) 8.013 13.838 ( -0.000 7.423 -7.973) 10.894 14.759 ( 0.000 -4.837 3.583) 6.019 14.940 ( 0.000 1.296 -8.408) 8.507 15.334 ( 0.000 -0.252 -7.751) 7.755 18.534 ( -0.000 -1.657 3.431) 3.810 19.750 ( -0.000 -0.494 4.183) 4.213 26.155 ( -0.000 -0.323 1.070) 1.117 26.698 ( 0.000 -3.272 -3.806) 5.020 27.079 ( -0.000 4.231 -4.222) 5.977 27.526 ( 0.000 0.273 -0.886) 0.927 28.337 ( -0.000 -0.162 3.291) 3.295 28.516 ( 0.000 1.086 -2.728) 2.937 30.002 ( 0.000 0.005 -3.201) 3.201 32.523 ( -0.000 -2.636 4.197) 4.956 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 16.269 16.269 31.250) 38.806 1.544 ( 22.748 22.748 28.706) 43.115 2.725 ( 15.747 15.747 66.665) 70.286 4.333 ( 8.251 8.251 7.897) 14.090 4.764 ( -1.544 -1.544 1.360) 2.572 4.803 ( 2.856 2.856 -6.085) 7.303 4.854 ( 3.437 3.437 0.056) 4.861 5.939 ( 3.900 3.900 -13.980) 15.029 5.952 ( 4.760 4.760 -11.598) 13.410 7.478 ( -1.214 -1.214 6.454) 6.679 7.569 ( -0.971 -0.971 4.834) 5.025 7.734 ( 6.653 6.653 -1.621) 9.547 7.781 ( 7.027 7.027 2.375) 10.218 10.139 ( -10.070 -10.070 -1.653) 14.337 10.257 ( -2.989 -2.989 -4.277) 6.013 11.097 ( -12.680 -12.680 20.570) 27.288 11.240 ( -8.739 -8.739 1.056) 12.403 11.486 ( -0.965 -0.965 -9.868) 9.962 11.681 ( -4.401 -4.401 -7.020) 9.382 11.867 ( -8.065 -8.065 2.861) 11.760 12.576 ( 3.918 3.918 13.170) 14.288 12.743 ( 14.068 14.068 -3.812) 20.257 13.184 ( 10.534 10.534 2.260) 15.067 15.458 ( -3.163 -3.163 -11.897) 12.710 15.541 ( 0.926 0.926 -11.452) 11.526 16.165 ( -0.163 -0.163 -23.142) 23.143 18.545 ( -20.328 -20.328 22.152) 36.293 19.083 ( -2.087 -2.087 23.057) 23.245 26.041 ( -0.443 -0.443 3.327) 3.386 26.755 ( 37.494 37.494 -32.467) 62.175 27.490 ( -8.184 -8.184 -4.887) 12.563 27.640 ( 1.672 1.672 -1.965) 3.075 28.081 ( 1.746 1.746 3.788) 4.521 28.718 ( 1.339 1.339 -11.488) 11.643 30.368 ( 1.396 1.396 -9.374) 9.580 32.467 ( -21.686 -21.686 26.197) 40.335 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 23.781 8.104 28.607) 38.073 2.406 ( 7.086 33.886 26.948) 43.871 3.860 ( 4.136 16.858 47.190) 50.281 4.606 ( 7.494 9.245 3.806) 12.495 4.679 ( 4.956 1.896 -2.262) 5.768 4.825 ( 0.813 5.735 2.295) 6.230 4.940 ( 0.314 5.871 0.811) 5.935 5.799 ( 4.832 2.531 -9.316) 10.795 5.948 ( 2.643 11.652 -3.846) 12.552 7.544 ( -5.142 -3.121 4.371) 7.436 7.636 ( -1.152 -0.033 4.683) 4.823 7.779 ( 6.356 5.391 -3.098) 8.892 7.981 ( 3.326 8.836 8.993) 13.039 9.884 ( 0.923 -18.875 -3.229) 19.172 10.186 ( -10.507 1.955 -4.495) 11.594 10.989 ( -0.386 -8.207 -10.485) 13.320 11.146 ( -5.934 -9.314 2.327) 11.286 11.300 ( -4.952 -10.734 -8.725) 14.693 11.549 ( -5.032 -3.230 -0.818) 6.035 11.756 ( -0.586 -8.921 -0.938) 8.990 12.847 ( 4.310 -0.880 21.430) 21.877 13.039 ( 2.495 15.301 11.142) 19.092 13.391 ( 5.806 14.805 0.696) 15.918 15.215 ( -2.046 -4.483 -12.183) 13.141 15.339 ( 2.756 0.403 -15.648) 15.894 15.823 ( -1.173 -0.180 -20.895) 20.928 18.570 ( -5.668 -15.090 14.816) 21.894 19.388 ( -4.646 -1.876 19.582) 20.213 26.082 ( -1.922 -0.748 3.098) 3.722 26.826 ( 16.939 29.097 -21.799) 40.109 27.256 ( -11.096 -12.523 -5.831) 17.719 27.635 ( 6.259 1.516 -1.701) 6.661 28.170 ( 1.521 0.901 5.406) 5.688 28.582 ( 1.363 3.937 -10.621) 11.409 30.231 ( 2.359 2.170 -11.415) 11.857 32.533 ( -11.194 -18.087 19.491) 28.851 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 21.788 6.895 23.379) 32.693 3.245 ( 4.136 29.289 24.381) 38.333 4.368 ( -2.407 4.199 -4.662) 6.720 4.567 ( 4.848 4.636 -0.066) 6.708 4.938 ( 1.326 2.381 2.912) 3.989 4.983 ( 4.101 11.714 10.407) 16.197 5.226 ( 4.424 16.638 19.717) 26.175 5.724 ( 4.734 0.007 -3.292) 5.766 6.130 ( 0.870 12.261 4.223) 12.997 7.483 ( -10.059 -7.407 -3.505) 12.975 7.686 ( 4.605 -1.883 3.330) 5.986 7.823 ( 3.907 3.080 1.405) 5.170 8.290 ( 0.760 13.928 10.402) 17.400 9.596 ( 4.383 -14.171 -2.080) 14.979 10.169 ( -11.577 3.609 -2.764) 12.438 10.735 ( 2.199 -3.292 -11.011) 11.701 10.933 ( -4.798 -14.693 -14.331) 21.078 10.993 ( -1.714 -11.836 -2.315) 12.181 11.508 ( -6.531 -3.189 -0.506) 7.286 11.612 ( 2.295 -7.128 -2.601) 7.927 13.173 ( -0.855 -1.047 20.980) 21.023 13.428 ( 1.045 8.739 16.146) 18.389 13.594 ( 4.659 14.820 -1.188) 15.580 14.990 ( 1.218 -5.991 -6.905) 9.223 15.101 ( 2.624 1.922 -16.504) 16.822 15.531 ( -1.831 -0.704 -16.168) 16.287 18.587 ( -0.879 -9.153 9.218) 13.020 19.610 ( -5.860 -1.868 12.520) 13.949 26.112 ( -3.652 -0.648 2.008) 4.218 26.814 ( 3.501 12.658 -21.192) 24.932 27.058 ( -4.537 -5.540 1.150) 7.253 27.630 ( 10.546 0.821 -0.976) 10.623 28.267 ( 1.074 0.099 6.169) 6.263 28.506 ( 0.417 4.933 -7.660) 9.120 30.095 ( 3.229 2.758 -10.386) 11.220 32.562 ( -8.638 -13.539 12.947) 20.629 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 21.259 3.739 13.498) 25.458 3.900 ( -0.325 16.295 16.097) 22.907 4.257 ( 6.215 2.291 -6.251) 9.108 4.597 ( -1.322 0.711 -4.036) 4.306 5.001 ( 0.619 14.331 -6.330) 15.679 5.299 ( 3.174 7.275 11.712) 14.148 5.667 ( 2.970 -0.662 2.551) 3.971 5.719 ( 4.921 5.192 12.488) 14.392 6.365 ( -0.987 7.342 7.358) 10.441 7.255 ( -9.670 -11.804 -6.524) 16.596 7.701 ( 4.544 -0.996 1.450) 4.872 7.879 ( 3.571 0.056 2.439) 4.325 8.655 ( -1.089 14.751 9.617) 17.643 9.465 ( 5.233 -4.184 1.013) 6.776 10.201 ( -10.457 3.650 0.149) 11.077 10.495 ( -6.058 -13.762 -13.063) 19.919 10.589 ( 3.133 -1.797 -5.554) 6.625 10.778 ( 0.195 -7.847 -6.660) 10.294 11.431 ( -0.273 -3.109 -2.928) 4.279 11.507 ( -1.674 -3.903 -1.114) 4.390 13.396 ( -5.567 -0.635 8.157) 9.897 13.698 ( -3.744 5.839 3.885) 7.950 13.788 ( 10.432 7.296 7.150) 14.601 14.840 ( 2.232 -3.635 -4.599) 6.272 14.937 ( 2.368 1.545 -6.639) 7.216 15.334 ( -1.150 -0.946 -6.796) 6.957 18.588 ( 0.876 -4.757 3.268) 5.838 19.714 ( -6.537 -1.393 4.099) 7.841 26.126 ( -4.335 -0.208 0.541) 4.374 26.620 ( -6.874 2.395 -13.355) 15.210 27.094 ( 3.603 0.823 4.728) 6.001 27.631 ( 12.899 -0.152 0.549) 12.912 28.343 ( 1.050 0.304 2.483) 2.713 28.481 ( -0.463 3.416 -2.980) 4.557 30.007 ( 3.862 3.161 -5.999) 7.803 32.547 ( -8.230 -9.151 5.566) 13.508 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 21.648 -2.540 -3.779) 22.121 4.081 ( -5.452 0.207 0.472) 5.477 4.329 ( 10.909 0.504 -2.086) 11.118 4.518 ( 0.128 2.122 0.087) 2.128 5.145 ( -0.535 14.588 -3.395) 14.988 5.500 ( 4.213 -5.215 7.997) 10.436 5.633 ( 2.040 -2.847 4.643) 5.816 5.842 ( 3.208 -2.896 -3.195) 5.374 6.503 ( -1.495 -2.381 3.853) 4.770 7.083 ( -10.164 -2.800 2.237) 10.777 7.698 ( 3.742 -0.712 -0.506) 3.842 7.897 ( 4.774 -1.549 1.565) 5.257 8.887 ( -1.247 1.972 1.001) 2.539 9.451 ( 4.269 -1.420 0.069) 4.500 10.217 ( -6.057 -0.738 -6.353) 8.809 10.270 ( -8.537 2.950 3.552) 9.706 10.506 ( 0.946 -3.102 -2.810) 4.291 10.669 ( 1.540 5.184 -2.217) 5.845 11.373 ( 3.835 0.315 -1.623) 4.176 11.454 ( -4.534 -0.414 -2.052) 4.994 13.383 ( -5.672 0.319 -9.495) 11.065 13.748 ( -2.511 1.270 -2.862) 4.013 13.956 ( 8.860 -1.355 9.198) 12.842 14.727 ( 2.224 1.804 -9.046) 9.489 14.965 ( 1.327 -0.401 9.494) 9.595 15.330 ( -0.545 -0.407 7.123) 7.156 18.546 ( 1.445 -1.710 -3.130) 3.849 19.698 ( -6.924 -0.279 -4.545) 8.287 26.121 ( -3.865 0.139 -1.140) 4.032 26.536 ( -9.232 6.175 -4.663) 12.046 27.196 ( 5.065 -3.742 11.101) 12.763 27.643 ( 13.706 -1.238 2.268) 13.948 28.337 ( 1.026 0.955 -3.807) 4.057 28.510 ( -0.775 1.038 2.154) 2.513 30.008 ( 4.118 3.225 0.340) 5.242 32.476 ( -8.403 -4.523 -2.485) 9.861 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 22.126 -7.852 -16.965) 28.966 3.835 ( 1.381 -14.522 -19.842) 24.628 4.359 ( 4.156 3.485 7.976) 9.645 4.613 ( 0.505 2.801 2.180) 3.586 5.218 ( 0.518 -4.326 0.780) 4.426 5.369 ( 3.708 -16.317 -0.898) 16.757 5.547 ( 3.362 -9.591 -19.867) 22.315 5.768 ( 3.379 -2.639 12.216) 12.947 6.429 ( -0.516 -9.762 0.433) 9.785 7.253 ( -13.144 7.445 10.876) 18.614 7.665 ( 3.431 -0.587 -2.460) 4.263 7.892 ( 7.406 -2.268 1.575) 7.904 8.707 ( -1.186 -13.940 -9.824) 17.095 9.415 ( 4.234 -0.310 -1.910) 4.655 10.215 ( -9.163 2.080 -0.138) 9.398 10.449 ( -5.598 10.435 3.358) 12.308 10.514 ( 1.228 11.540 2.931) 11.970 10.793 ( 1.297 8.245 3.894) 9.210 11.382 ( 4.342 5.507 -3.256) 7.732 11.434 ( -6.220 3.429 -3.335) 7.846 13.143 ( -1.568 1.081 -21.580) 21.664 13.671 ( -2.636 -8.200 -0.330) 8.619 14.017 ( 5.922 -12.033 9.484) 16.426 14.671 ( 2.799 12.814 -8.618) 15.694 15.168 ( 1.347 -2.184 17.241) 17.431 15.506 ( -2.104 1.256 14.323) 14.531 18.444 ( 1.362 0.859 -9.319) 9.457 19.571 ( -7.024 0.968 -12.610) 14.467 26.096 ( -3.161 0.486 -2.517) 4.069 26.645 ( -9.578 11.307 2.293) 14.995 27.331 ( 5.939 -10.076 19.349) 22.610 27.662 ( 13.070 -2.223 3.326) 13.668 28.276 ( 1.263 -0.252 -4.234) 4.426 28.561 ( -0.858 0.712 2.948) 3.152 30.099 ( 3.985 2.913 5.423) 7.333 32.345 ( -8.722 0.595 -11.216) 14.221 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 24.728 -11.242 -22.111) 35.025 3.211 ( 6.157 -22.685 -26.409) 35.355 4.500 ( -2.940 -13.942 -3.175) 14.598 4.590 ( 0.142 -1.397 -0.827) 1.629 4.866 ( 9.130 -9.325 -16.196) 20.800 5.092 ( 4.915 -19.876 -2.544) 20.632 5.257 ( 0.523 -7.155 -2.733) 7.677 5.920 ( 4.268 -6.093 15.800) 17.463 6.302 ( 0.776 -12.579 4.199) 13.284 7.466 ( -13.592 2.998 3.388) 14.325 7.625 ( -0.308 0.466 -1.688) 1.778 7.904 ( 11.493 -2.994 5.922) 13.271 8.322 ( -0.416 -15.151 -11.864) 19.247 9.448 ( 4.374 9.013 -0.112) 10.019 10.237 ( -9.963 -0.613 1.955) 10.172 10.600 ( -0.677 14.905 -3.587) 15.345 10.848 ( -5.979 16.248 5.565) 18.186 10.992 ( 2.176 10.388 6.721) 12.563 11.399 ( 0.253 10.123 -8.938) 13.506 11.446 ( -4.624 7.209 -5.038) 9.936 12.811 ( 2.934 1.415 -22.403) 22.638 13.526 ( -1.774 -17.751 5.703) 18.729 13.902 ( 4.938 -20.291 6.035) 21.738 14.843 ( 1.786 20.944 -1.277) 21.059 15.387 ( -0.317 -2.985 15.578) 15.865 15.788 ( -2.572 2.877 18.521) 18.919 18.291 ( 0.602 3.824 -14.944) 15.437 19.345 ( -6.699 1.592 -19.187) 20.385 26.062 ( -1.862 0.759 -3.086) 3.683 26.885 ( -9.278 13.634 5.371) 17.344 27.513 ( 7.453 -15.910 28.278) 33.291 27.678 ( 10.220 -3.125 3.577) 11.270 28.214 ( 2.480 -2.739 -0.912) 3.806 28.627 ( -0.836 1.246 4.207) 4.467 30.237 ( 3.614 2.524 7.236) 8.473 32.148 ( -9.409 6.483 -21.194) 24.078 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 30.377 -14.239 -22.032) 40.136 2.436 ( 10.719 -28.757 -27.617) 41.286 3.606 ( 4.050 -43.413 -36.903) 57.122 4.667 ( -3.774 4.486 -3.022) 6.595 4.743 ( 6.465 -16.870 -4.865) 18.710 4.814 ( 7.744 -2.875 4.646) 9.477 5.126 ( 0.652 -10.887 1.640) 11.029 6.084 ( 4.982 -7.645 17.783) 19.987 6.230 ( 1.951 -12.668 9.785) 16.126 7.449 ( -5.615 -0.024 -4.780) 7.374 7.598 ( -5.579 -1.506 -2.463) 6.282 7.965 ( 0.911 -9.067 -9.265) 12.996 8.007 ( 10.371 -8.338 14.771) 19.881 9.651 ( 2.267 18.113 -0.102) 18.254 10.262 ( -9.283 -0.731 2.552) 9.655 10.684 ( 0.751 14.214 -15.431) 20.993 11.027 ( -13.401 10.474 -4.366) 17.560 11.287 ( 2.780 12.400 6.912) 14.466 11.425 ( -2.183 17.149 -10.543) 20.249 11.494 ( -4.199 9.075 -1.483) 10.109 12.548 ( 9.401 2.468 -14.386) 17.362 13.384 ( -0.326 -24.683 14.965) 28.867 13.672 ( 4.427 -22.298 3.121) 22.947 15.149 ( 0.228 21.609 0.947) 21.631 15.549 ( -4.086 -2.160 10.136) 11.140 16.135 ( -1.555 3.017 20.964) 21.237 18.094 ( -1.092 6.985 -20.929) 22.091 19.043 ( -5.730 1.420 -22.376) 23.142 26.025 ( -0.319 0.690 -2.887) 2.985 27.158 ( -8.724 12.530 6.016) 16.410 27.673 ( 5.156 -1.286 1.714) 5.584 27.778 ( 11.922 -21.721 39.696) 46.794 28.174 ( 3.885 -8.001 5.482) 10.448 28.732 ( -0.500 1.532 6.955) 7.139 30.374 ( 3.338 2.480 5.746) 7.093 31.867 ( -11.591 13.702 -34.870) 39.217 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 38.870 -18.146 -13.895) 45.091 1.604 ( 21.115 -30.896 -25.369) 45.210 2.349 ( 9.664 -55.002 -35.767) 66.317 4.425 ( 8.331 -16.781 -3.164) 19.000 4.647 ( -2.591 2.784 -4.711) 6.055 4.878 ( 4.480 0.029 3.047) 5.418 5.013 ( 1.567 -9.503 2.193) 9.878 6.215 ( 3.977 -7.667 11.546) 14.419 6.245 ( 4.289 -8.820 10.849) 14.625 7.375 ( -4.427 0.797 -4.642) 6.464 7.519 ( -2.407 -2.256 -3.379) 4.722 7.740 ( 1.893 -5.718 -4.765) 7.680 8.219 ( 9.786 -12.287 32.535) 36.129 9.839 ( -3.919 19.936 -15.647) 25.644 10.290 ( -6.976 1.021 0.785) 7.093 10.492 ( 0.106 8.510 -26.416) 27.754 11.051 ( -14.993 6.735 -6.475) 17.666 11.521 ( -0.153 11.075 3.980) 11.770 11.553 ( -4.677 18.820 -6.407) 20.423 11.663 ( -4.985 9.643 3.298) 11.345 12.451 ( 17.100 3.414 -4.486) 18.005 13.306 ( 5.730 -24.125 17.904) 30.584 13.405 ( -0.046 -22.487 5.328) 23.110 15.429 ( -0.220 19.675 -2.642) 19.852 15.631 ( -8.932 -1.267 3.518) 9.683 16.476 ( -0.844 2.242 17.149) 17.316 17.825 ( -3.048 7.146 -28.289) 29.336 18.739 ( -3.859 0.972 -17.676) 18.119 25.996 ( 0.552 0.378 -1.823) 1.941 27.399 ( -8.091 10.689 3.902) 13.962 27.672 ( 1.313 -0.768 0.495) 1.599 28.061 ( 7.637 -1.893 4.558) 9.093 28.334 ( 15.581 -34.044 73.193) 82.212 28.870 ( 1.001 -1.356 11.026) 11.154 30.470 ( 3.884 3.539 1.144) 5.377 31.398 ( -18.030 20.900 -62.981) 68.764 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 29.843 -29.843 0.000) 42.204 0.986 ( 35.281 -35.281 0.000) 49.895 1.186 ( 42.229 -42.229 0.000) 59.721 4.214 ( 9.367 -9.367 0.000) 13.248 4.635 ( -1.567 1.567 -0.000) 2.217 4.892 ( 1.335 -1.335 0.000) 1.888 4.933 ( 4.194 -4.194 0.000) 5.931 6.223 ( 3.878 -3.878 0.000) 5.484 6.241 ( 5.087 -5.087 0.000) 7.194 7.359 ( -2.350 2.350 -0.000) 3.324 7.465 ( 0.784 -0.784 0.000) 1.108 7.651 ( 2.355 -2.355 0.000) 3.330 8.649 ( 1.451 -1.451 0.000) 2.052 9.574 ( -2.600 2.600 -0.000) 3.677 10.329 ( -2.504 2.504 -0.000) 3.542 10.340 ( -1.662 1.662 -0.000) 2.351 11.081 ( -7.099 7.099 -0.000) 10.039 11.692 ( -6.665 6.665 -0.000) 9.426 11.715 ( -10.597 10.597 -0.000) 14.986 11.796 ( -5.257 5.257 -0.000) 7.434 12.420 ( 7.500 -7.500 0.000) 10.607 13.130 ( 13.539 -13.539 0.000) 19.146 13.370 ( 3.947 -3.947 0.000) 5.582 15.597 ( -7.739 7.739 -0.000) 10.945 15.651 ( -4.086 4.086 -0.000) 5.778 16.646 ( -0.802 0.802 -0.000) 1.135 17.497 ( 3.916 -3.916 0.000) 5.539 18.604 ( -1.391 1.391 -0.000) 1.967 25.983 ( 0.154 -0.154 0.000) 0.218 27.558 ( -7.446 7.446 -0.000) 10.530 27.670 ( 0.154 -0.154 0.000) 0.217 28.030 ( 3.188 -3.188 0.000) 4.509 28.888 ( -2.487 2.487 -0.000) 3.517 29.510 ( 6.936 -6.936 0.000) 9.809 30.374 ( -4.043 4.043 -0.000) 5.717 30.519 ( 1.012 -1.012 0.000) 1.431 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 16.147 16.147 25.559) 34.274 2.953 ( 22.297 22.297 21.654) 38.252 4.291 ( 1.674 1.674 4.694) 5.257 4.607 ( 2.524 2.524 -9.023) 9.704 4.906 ( 9.728 9.728 14.085) 19.689 4.946 ( 0.233 0.233 -1.114) 1.161 5.131 ( 12.577 12.577 23.747) 29.670 5.785 ( 2.226 2.226 -0.174) 3.153 6.024 ( 7.795 7.795 3.915) 11.699 7.461 ( -9.167 -9.167 -0.880) 12.994 7.762 ( 0.815 0.815 9.055) 9.128 7.804 ( 4.695 4.695 -3.334) 7.430 8.188 ( 6.776 6.776 9.265) 13.329 9.852 ( -6.304 -6.304 0.104) 8.916 9.939 ( -5.029 -5.029 -7.275) 10.174 10.771 ( 1.827 1.827 -15.058) 15.278 11.002 ( -10.243 -10.243 -15.089) 20.917 11.087 ( -9.010 -9.010 0.386) 12.748 11.464 ( -5.308 -5.308 -0.716) 7.541 11.687 ( -1.928 -1.928 -4.632) 5.375 13.178 ( -0.773 -0.773 17.527) 17.561 13.363 ( 3.058 3.058 20.916) 21.359 13.523 ( 11.768 11.768 1.762) 16.736 15.032 ( 0.654 0.654 -9.465) 9.510 15.120 ( 1.811 1.811 -16.934) 17.127 15.520 ( -1.881 -1.881 -15.313) 15.542 18.657 ( -6.015 -6.015 8.052) 11.714 19.571 ( -5.293 -5.293 13.249) 15.218 26.083 ( -2.330 -2.330 1.273) 3.532 26.750 ( 10.593 10.593 -19.465) 24.562 27.061 ( -6.105 -6.105 0.984) 8.690 27.713 ( 5.887 5.887 0.370) 8.334 28.279 ( 0.597 0.597 6.597) 6.651 28.464 ( 3.843 3.843 -9.291) 10.764 30.099 ( 4.251 4.251 -11.412) 12.899 32.598 ( -13.974 -13.974 12.871) 23.584 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 29.550 4.804 17.936) 34.900 3.645 ( 7.067 27.144 17.578) 33.102 4.275 ( 2.982 4.133 -7.510) 9.076 4.523 ( 0.345 4.766 -7.211) 8.651 4.905 ( 1.745 3.432 -7.134) 8.106 5.253 ( 5.472 7.640 14.935) 17.645 5.634 ( 7.366 10.082 15.484) 19.891 5.831 ( 4.940 -3.919 7.627) 9.896 6.241 ( 0.652 8.383 7.983) 11.594 7.268 ( -12.886 -13.177 -3.753) 18.809 7.788 ( 6.118 1.026 -2.417) 6.657 7.918 ( 2.683 1.023 7.550) 8.078 8.458 ( 1.938 11.661 9.285) 15.032 9.668 ( 8.096 -10.624 -0.206) 13.358 9.950 ( -13.553 6.917 -0.227) 15.218 10.569 ( -9.580 -12.235 -13.277) 20.438 10.629 ( 3.735 2.376 -13.979) 14.663 10.908 ( -4.124 -11.652 -4.243) 13.068 11.380 ( -7.512 -2.714 -3.060) 8.553 11.588 ( 1.534 -2.959 -3.494) 4.829 13.344 ( -3.917 -1.948 5.959) 7.392 13.581 ( -1.623 3.725 4.577) 6.120 13.832 ( 11.124 9.042 14.264) 20.223 14.898 ( 2.606 0.489 -12.307) 12.590 14.953 ( 2.676 1.697 -4.241) 5.294 15.331 ( -1.824 -1.670 -5.005) 5.582 18.663 ( -0.617 -4.350 2.327) 4.972 19.641 ( -8.421 -4.608 4.808) 10.736 26.068 ( -4.174 -1.292 0.337) 4.382 26.526 ( -4.275 -0.748 -14.752) 15.378 27.119 ( 4.476 3.655 5.564) 8.022 27.797 ( 10.766 2.834 2.564) 11.424 28.363 ( 2.549 0.178 1.268) 2.852 28.416 ( 0.069 4.885 -3.182) 5.830 30.017 ( 6.129 5.680 -7.953) 11.536 32.553 ( -13.361 -13.445 6.427) 20.014 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 34.107 -1.090 2.127) 34.191 4.018 ( -0.456 2.878 3.769) 4.764 4.381 ( 7.249 13.777 1.554) 15.645 4.492 ( 0.053 2.581 -2.666) 3.711 4.882 ( 1.513 17.703 -10.846) 20.817 5.564 ( 3.604 2.331 16.664) 17.208 5.784 ( 4.698 -7.730 5.614) 10.647 5.917 ( 5.872 0.151 1.963) 6.193 6.457 ( -4.606 2.981 8.906) 10.461 7.024 ( -13.871 -12.843 -1.996) 19.008 7.759 ( 4.723 1.187 -3.347) 5.909 8.011 ( 6.849 -2.470 6.078) 9.484 8.761 ( -1.379 11.213 6.753) 13.162 9.583 ( 7.791 -5.326 1.617) 9.575 10.065 ( -11.042 5.089 2.853) 12.489 10.173 ( -9.906 -7.782 -13.149) 18.210 10.561 ( 3.227 2.571 -3.959) 5.718 10.674 ( 0.032 -6.189 -7.162) 9.466 11.303 ( -7.903 1.030 -5.140) 9.483 11.502 ( 3.434 -2.541 -2.917) 5.173 13.305 ( -4.742 -0.284 -8.468) 9.710 13.670 ( -4.964 0.752 3.182) 5.944 14.090 ( 14.053 6.211 5.312) 16.257 14.762 ( 2.450 -1.436 -6.539) 7.129 14.967 ( -0.801 0.885 6.433) 6.543 15.336 ( 0.130 -0.743 6.536) 6.579 18.607 ( 2.058 -2.707 -3.296) 4.736 19.591 ( -10.605 -3.057 -4.271) 11.835 26.061 ( -4.324 -0.387 0.087) 4.342 26.353 ( -8.000 1.637 -7.319) 10.966 27.286 ( 6.677 2.436 10.390) 12.588 27.869 ( 14.287 -0.747 4.927) 15.132 28.337 ( 2.344 2.480 -4.949) 6.012 28.470 ( -1.350 2.247 1.427) 2.984 30.023 ( 7.315 6.309 -2.103) 9.886 32.425 ( -14.165 -11.110 -0.755) 18.018 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 33.826 -7.685 -12.624) 36.914 4.011 ( 3.049 -6.858 -7.489) 10.603 4.349 ( 0.552 4.251 -3.749) 5.695 4.628 ( 7.289 2.629 5.368) 9.427 5.084 ( -0.151 21.010 -3.524) 21.304 5.667 ( 4.746 -16.264 0.357) 16.946 5.761 ( 5.151 -10.104 -3.615) 11.904 5.857 ( 5.075 -1.694 12.091) 13.222 6.534 ( -3.511 -8.164 5.123) 10.258 6.968 ( -17.182 1.068 7.233) 18.673 7.714 ( 3.418 0.665 -4.385) 5.599 8.050 ( 8.746 -3.356 4.900) 10.572 8.837 ( -0.720 -6.059 -4.558) 7.616 9.514 ( 4.958 -4.146 -1.127) 6.560 10.022 ( -10.316 4.307 -3.093) 11.599 10.212 ( -10.208 6.081 5.163) 12.956 10.462 ( 2.259 0.713 -4.804) 5.356 10.691 ( 2.850 9.967 0.658) 10.388 11.258 ( -8.104 4.985 -6.281) 11.401 11.419 ( 3.801 0.289 -6.287) 7.352 13.101 ( -1.716 1.292 -18.006) 18.133 13.701 ( -7.100 -6.500 6.324) 11.518 14.223 ( 13.475 4.671 3.882) 14.780 14.629 ( 4.481 -1.994 -6.676) 8.284 15.182 ( -1.847 1.290 16.808) 16.958 15.461 ( -2.487 -0.333 10.247) 10.550 18.486 ( 3.074 -1.781 -8.511) 9.222 19.433 ( -11.654 -0.754 -12.588) 17.171 26.049 ( -3.077 -0.517 -0.827) 3.228 26.372 ( -9.618 7.665 1.158) 12.353 27.499 ( 8.053 -0.524 15.717) 17.668 27.919 ( 15.388 -4.028 5.385) 16.793 28.300 ( 2.357 0.794 -2.235) 3.344 28.515 ( -1.923 3.018 0.026) 3.578 30.118 ( 7.520 5.966 2.885) 10.023 32.224 ( -15.183 -7.478 -8.820) 19.085 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 34.446 -11.718 -15.692) 39.624 3.600 ( 11.744 -15.607 -21.305) 28.903 4.442 ( -4.492 6.551 1.153) 8.026 4.695 ( 4.281 -5.323 3.817) 7.825 5.219 ( 3.155 -9.224 -20.758) 22.933 5.248 ( 5.153 -3.408 -1.790) 6.432 5.507 ( 8.713 -20.512 1.262) 22.322 6.075 ( 5.748 -5.485 19.235) 20.812 6.473 ( -0.424 -11.277 6.573) 13.060 7.167 ( -18.356 6.076 7.929) 20.898 7.643 ( 1.846 -0.254 -5.082) 5.413 8.081 ( 7.251 -2.323 4.378) 8.783 8.542 ( 2.160 -15.863 -8.813) 18.274 9.464 ( 6.480 0.831 -1.722) 6.756 10.061 ( -12.768 2.357 0.504) 12.994 10.370 ( -7.450 11.009 -0.972) 13.329 10.565 ( -2.371 13.487 2.504) 13.921 10.866 ( 1.908 11.787 1.744) 12.067 11.247 ( -7.721 7.984 -7.003) 13.130 11.309 ( 1.528 5.031 -12.875) 13.907 12.840 ( 4.853 2.262 -17.570) 18.367 13.688 ( -7.402 -14.801 11.520) 20.164 14.282 ( 11.918 -15.207 8.955) 21.295 14.599 ( 4.856 18.273 -7.804) 20.455 15.410 ( -2.905 -3.284 12.306) 13.064 15.677 ( -5.829 4.701 15.704) 17.398 18.302 ( 2.877 -1.326 -12.595) 12.987 19.196 ( -11.112 1.386 -18.760) 21.848 26.031 ( -1.391 -0.091 -0.866) 1.641 26.569 ( -10.223 11.424 6.103) 16.500 27.738 ( 10.257 -1.385 15.275) 18.451 27.920 ( 11.192 -6.489 6.416) 14.440 28.316 ( 5.127 -3.849 7.316) 9.727 28.566 ( -2.170 4.334 0.587) 4.882 30.258 ( 6.931 5.199 4.707) 9.860 31.946 ( -15.941 -3.121 -18.165) 24.369 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 35.764 -15.935 -13.017) 41.261 2.997 ( 20.611 -20.692 -23.303) 37.363 4.236 ( 3.542 -36.620 -22.545) 43.149 4.534 ( -5.475 3.858 -2.220) 7.057 4.907 ( 9.288 -0.081 -2.064) 9.515 5.187 ( 9.664 -18.985 1.125) 21.333 5.269 ( 3.936 -8.093 0.079) 9.000 6.285 ( 7.241 -8.160 20.210) 22.967 6.440 ( 2.699 -12.322 10.607) 16.481 7.290 ( -14.136 2.515 -0.602) 14.371 7.570 ( -0.633 -0.402 -3.328) 3.412 8.051 ( -2.148 -4.188 -7.536) 8.885 8.304 ( 11.994 -11.995 10.287) 19.838 9.512 ( 5.700 9.561 -1.751) 11.268 10.102 ( -12.643 1.113 1.951) 12.841 10.493 ( -2.641 13.262 -7.225) 15.332 10.706 ( -10.634 10.031 -8.359) 16.840 11.092 ( -1.714 15.511 2.720) 15.841 11.189 ( -2.574 11.944 -15.137) 19.453 11.277 ( -8.641 8.502 -3.896) 12.733 12.679 ( 15.541 4.072 -8.445) 18.150 13.653 ( -7.466 -22.080 17.563) 29.184 14.108 ( 12.937 -22.399 4.967) 26.339 14.836 ( 3.181 25.889 -4.892) 26.538 15.481 ( -11.082 -3.802 4.655) 12.607 16.035 ( -3.955 6.277 19.465) 20.831 18.072 ( 2.118 -1.448 -14.744) 14.965 18.913 ( -8.763 2.380 -21.034) 22.911 26.019 ( 0.486 0.084 -0.798) 0.938 26.841 ( -10.720 12.425 6.987) 17.836 27.781 ( 6.588 -2.384 -2.081) 7.309 28.084 ( 12.471 -1.461 16.990) 21.127 28.410 ( 4.865 -11.951 20.119) 23.902 28.684 ( -0.244 3.259 9.518) 10.064 30.390 ( 6.391 5.006 3.005) 8.656 31.569 ( -16.744 0.796 -29.887) 34.267 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 30.264 -23.367 -6.100) 38.719 2.376 ( 38.363 -20.015 -17.953) 46.847 3.246 ( 11.756 -51.165 -22.485) 57.111 4.547 ( -4.744 4.094 -3.314) 7.089 4.819 ( 10.782 -14.810 -1.944) 18.422 4.981 ( 8.186 -6.582 1.848) 10.665 5.181 ( 4.068 -8.255 1.581) 9.338 6.412 ( 6.358 -9.932 10.872) 16.039 6.465 ( 7.332 -10.658 13.225) 18.501 7.258 ( -9.306 2.122 -5.180) 10.860 7.524 ( -0.520 -0.964 -1.882) 2.178 7.843 ( 0.767 -5.166 -6.861) 8.622 8.466 ( 8.260 -7.584 25.212) 27.593 9.594 ( 0.037 11.946 -11.756) 16.760 10.153 ( -7.661 3.515 0.748) 8.462 10.402 ( -0.634 4.887 -18.504) 19.149 10.715 ( -14.836 11.142 -6.256) 19.580 11.218 ( -7.451 16.313 -6.576) 19.102 11.310 ( -7.717 11.250 -0.383) 13.648 11.408 ( -9.041 12.515 1.810) 15.545 12.683 ( 23.453 4.463 -0.825) 23.888 13.605 ( -7.695 -24.690 17.897) 31.450 13.852 ( 16.673 -21.872 2.776) 27.642 15.106 ( 0.841 26.508 -8.320) 27.796 15.470 ( -17.527 -2.935 1.084) 17.804 16.398 ( -3.202 5.517 15.652) 16.902 17.823 ( 2.714 -3.364 -12.978) 13.679 18.651 ( -5.375 2.358 -16.108) 17.144 26.007 ( 1.367 -0.208 -0.712) 1.556 27.102 ( -10.941 11.943 4.426) 16.791 27.717 ( 2.634 -1.984 -1.569) 3.652 28.209 ( 10.526 -2.294 2.473) 11.053 28.628 ( -1.207 0.373 15.260) 15.313 29.039 ( 8.670 -10.323 48.336) 50.181 30.474 ( 8.172 8.256 -5.058) 12.670 31.019 ( -18.687 -0.420 -44.093) 47.891 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 27.415 -27.415 0.000) 38.771 1.944 ( 33.620 -33.620 0.000) 47.545 2.324 ( 39.533 -39.533 0.000) 55.909 4.568 ( -3.282 3.282 -0.000) 4.641 4.571 ( 15.519 -15.519 0.000) 21.947 4.947 ( 2.781 -2.781 0.000) 3.932 5.089 ( 6.600 -6.600 0.000) 9.333 6.378 ( 7.184 -7.184 0.000) 10.160 6.438 ( 8.767 -8.767 0.000) 12.399 7.259 ( -4.840 4.840 -0.000) 6.845 7.492 ( 1.028 -1.028 0.000) 1.454 7.734 ( 3.165 -3.165 0.000) 4.476 8.711 ( 3.052 -3.052 0.000) 4.317 9.484 ( -3.447 3.447 -0.000) 4.875 10.231 ( -4.421 4.421 -0.000) 6.252 10.279 ( -2.514 2.514 -0.000) 3.555 10.819 ( -11.374 11.374 -0.000) 16.086 11.381 ( -12.784 12.784 -0.000) 18.079 11.457 ( -10.090 10.090 -0.000) 14.270 11.586 ( -9.677 9.677 -0.000) 13.686 12.668 ( 10.007 -10.007 0.000) 14.152 13.502 ( 8.436 -8.436 0.000) 11.931 13.611 ( 17.419 -17.419 0.000) 24.634 15.308 ( -12.629 12.629 -0.000) 17.860 15.493 ( -7.134 7.134 -0.000) 10.089 16.595 ( -3.178 3.178 -0.000) 4.495 17.634 ( 5.586 -5.586 0.000) 7.900 18.548 ( -2.635 2.635 -0.000) 3.727 25.994 ( 0.695 -0.695 0.000) 0.983 27.295 ( -10.870 10.870 -0.000) 15.372 27.685 ( 1.069 -1.069 0.000) 1.512 28.159 ( 6.043 -6.043 0.000) 8.546 28.787 ( -4.785 4.785 -0.000) 6.767 29.751 ( 9.799 -9.799 0.000) 13.857 30.211 ( -7.638 7.638 -0.000) 10.802 30.555 ( 1.476 -1.476 0.000) 2.087 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.808 ( 13.948 13.948 14.279) 24.351 3.976 ( 16.480 16.480 2.897) 23.486 4.185 ( 4.229 4.229 -9.591) 11.303 4.481 ( 4.624 4.624 1.638) 6.742 4.789 ( 5.461 5.461 -13.998) 15.988 5.571 ( 3.666 3.666 18.031) 18.762 5.862 ( 3.402 3.402 5.725) 7.478 6.001 ( -0.654 -0.654 7.240) 7.299 6.368 ( -0.176 -0.176 7.880) 7.884 7.025 ( -15.246 -15.246 -1.788) 21.635 7.784 ( 3.564 3.564 -5.537) 7.488 8.097 ( 2.422 2.422 8.393) 9.065 8.645 ( 6.294 6.294 8.523) 12.323 9.747 ( -1.000 -1.000 0.231) 1.433 9.883 ( 0.310 0.310 6.041) 6.057 10.159 ( -11.653 -11.653 -16.741) 23.491 10.556 ( 5.313 5.313 -6.076) 9.663 10.744 ( -6.858 -6.858 -7.082) 12.009 11.224 ( -4.070 -4.070 -6.081) 8.374 11.547 ( 0.364 0.364 -3.933) 3.966 13.273 ( -2.085 -2.085 -8.566) 9.059 13.626 ( -2.532 -2.532 5.537) 6.594 14.148 ( 12.376 12.376 2.957) 17.751 14.801 ( 0.004 0.004 -0.230) 0.230 14.943 ( -0.787 -0.787 0.939) 1.456 15.344 ( -0.019 -0.019 6.610) 6.610 18.647 ( -0.088 -0.088 -3.649) 3.651 19.530 ( -8.297 -8.297 -3.842) 12.347 26.031 ( -2.188 -2.188 1.023) 3.259 26.285 ( -3.799 -3.799 -8.446) 10.010 27.315 ( 6.055 6.055 9.921) 13.106 27.989 ( 5.981 5.981 6.986) 10.971 28.334 ( 4.026 4.026 -6.903) 8.949 28.437 ( 0.016 0.016 1.430) 1.431 30.031 ( 8.149 8.149 -3.153) 11.947 32.403 ( -15.071 -15.071 0.040) 21.313 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.833 ( 30.875 -8.036 -10.409) 33.558 4.116 ( 5.433 1.030 7.106) 9.004 4.237 ( -3.060 11.031 -11.999) 16.584 4.685 ( 6.754 8.578 -4.743) 11.904 4.752 ( 5.868 22.161 1.609) 22.981 5.837 ( 1.379 -2.803 -1.634) 3.525 5.919 ( 4.987 1.017 13.477) 14.406 6.025 ( 4.228 -12.429 8.516) 15.649 6.485 ( -10.540 0.008 8.063) 13.270 6.827 ( -14.572 -12.612 2.962) 19.498 7.737 ( 3.546 2.876 -6.287) 7.770 8.190 ( 4.247 -2.120 3.339) 5.803 8.861 ( 4.007 4.536 6.003) 8.525 9.646 ( -1.739 -9.551 -4.823) 10.841 9.870 ( -5.970 -0.460 -5.134) 7.888 10.018 ( -6.981 3.420 5.058) 9.275 10.523 ( 1.035 -4.447 -7.356) 8.658 10.608 ( 3.053 7.891 -1.561) 8.604 11.103 ( -4.959 2.256 -7.677) 9.413 11.460 ( 1.972 0.210 -8.631) 8.856 13.069 ( -0.465 0.914 -15.574) 15.608 13.682 ( -7.632 -6.372 9.793) 13.955 14.266 ( 15.684 15.474 -9.458) 23.977 14.820 ( 6.029 -10.969 8.216) 14.972 15.063 ( -7.667 5.297 12.811) 15.841 15.454 ( -1.764 -2.158 7.877) 8.356 18.552 ( 3.067 -0.345 -8.323) 8.877 19.306 ( -11.550 -5.769 -12.120) 17.708 26.036 ( -1.034 -1.519 2.079) 2.774 26.191 ( -5.965 1.933 -1.090) 6.364 27.577 ( 7.918 5.090 14.047) 16.909 28.152 ( 11.165 -1.541 7.752) 13.679 28.304 ( 2.335 4.181 -2.368) 5.342 28.440 ( -1.764 2.759 -2.786) 4.300 30.136 ( 9.385 8.618 1.036) 12.784 32.146 ( -17.376 -14.307 -6.773) 23.505 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( 27.500 -12.706 -11.577) 32.430 3.977 ( 19.511 -7.226 -16.292) 26.426 4.262 ( -6.429 7.003 -0.662) 9.530 4.776 ( 3.520 6.997 0.553) 7.852 5.063 ( 3.306 16.110 -0.979) 16.474 5.550 ( 5.200 -11.461 -16.061) 20.404 5.909 ( 8.152 -19.323 5.886) 21.782 6.213 ( 4.759 -3.481 22.018) 22.794 6.573 ( -7.202 -7.649 9.772) 14.348 6.842 ( -17.388 1.582 9.101) 19.690 7.669 ( 2.873 1.471 -6.802) 7.529 8.154 ( -1.191 -2.868 -3.122) 4.403 8.832 ( 9.719 -13.119 -0.190) 16.328 9.531 ( -0.126 0.735 -1.223) 1.433 9.858 ( -8.133 2.069 -1.146) 8.470 10.114 ( -11.804 4.235 1.453) 12.625 10.441 ( 3.055 5.963 -2.880) 7.293 10.726 ( -0.033 9.861 -1.237) 9.939 11.051 ( -3.478 7.518 -8.760) 12.056 11.283 ( 0.877 1.697 -15.999) 16.113 12.877 ( 5.739 3.433 -11.614) 13.401 13.742 ( -9.686 -10.711 13.410) 19.707 14.370 ( 12.054 19.129 -7.461) 23.810 14.753 ( 11.065 -17.005 8.719) 22.082 15.372 ( -6.649 2.281 13.801) 15.488 15.521 ( -8.518 0.318 7.406) 11.292 18.385 ( 4.684 -2.020 -11.326) 12.422 19.023 ( -12.592 -1.335 -17.836) 21.874 26.039 ( 0.954 -1.876 1.916) 2.846 26.305 ( -7.940 8.070 5.444) 12.563 27.866 ( 10.245 3.581 13.857) 17.602 28.129 ( 9.323 -3.684 -0.908) 10.065 28.430 ( 3.007 0.088 9.309) 9.783 28.460 ( -0.450 4.772 1.820) 5.128 30.280 ( 9.064 7.757 2.400) 12.169 31.804 ( -19.071 -11.764 -14.326) 26.595 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 24.050 -17.687 -9.559) 31.346 3.576 ( 30.120 -11.082 -17.876) 36.737 4.326 ( -6.134 6.369 -3.792) 9.621 4.753 ( 3.542 -20.060 -4.091) 20.777 5.006 ( 2.831 -0.635 -11.443) 11.805 5.313 ( 7.018 2.657 -1.894) 7.740 5.684 ( 11.279 -22.412 3.116) 25.283 6.479 ( 5.327 -5.584 20.610) 22.007 6.627 ( 0.229 -10.657 14.598) 18.075 7.025 ( -14.959 4.705 5.232) 16.532 7.577 ( 0.956 -0.071 -5.723) 5.803 8.023 ( -6.903 -1.537 -9.372) 11.741 8.668 ( 13.818 -14.457 7.738) 21.443 9.532 ( 6.821 1.672 -1.715) 7.229 9.892 ( -12.524 3.865 0.768) 13.130 10.214 ( -11.396 10.943 -2.262) 15.960 10.504 ( -1.699 6.913 -6.184) 9.430 10.848 ( -4.433 13.065 -2.013) 13.943 10.997 ( -4.017 9.472 -16.745) 19.653 11.072 ( -5.441 5.186 -12.537) 14.618 12.850 ( 18.234 5.721 -0.345) 19.114 13.795 ( -10.593 -16.159 17.966) 26.384 14.555 ( 6.312 22.190 -8.074) 24.442 14.615 ( 16.447 -19.988 8.005) 27.094 15.371 ( -14.856 -7.155 -1.226) 16.535 15.842 ( -8.023 9.876 17.122) 21.332 18.162 ( 4.497 -4.019 -11.790) 13.243 18.746 ( -10.141 2.443 -18.985) 21.662 26.046 ( 2.375 -1.450 1.820) 3.326 26.539 ( -9.342 10.645 7.136) 15.859 27.918 ( 7.494 -3.192 -4.349) 9.234 28.239 ( 11.246 2.938 12.487) 17.059 28.486 ( -1.225 2.935 -0.179) 3.185 28.714 ( 4.499 -2.181 25.913) 26.391 30.409 ( 7.929 6.812 0.807) 10.484 31.379 ( -19.196 -9.108 -22.809) 31.172 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 20.162 -22.850 -6.406) 31.140 3.174 ( 40.668 -13.734 -10.968) 44.303 4.046 ( 12.843 -36.505 -14.378) 41.283 4.419 ( -5.898 0.910 -1.748) 6.219 4.963 ( 2.546 0.499 -1.209) 2.862 5.319 ( 5.601 -2.046 0.338) 5.973 5.405 ( 14.601 -21.392 1.003) 25.919 6.641 ( 5.812 -9.116 12.838) 16.783 6.723 ( 8.004 -10.501 15.637) 20.465 7.073 ( -10.650 3.226 -4.771) 12.108 7.520 ( -0.795 0.339 -1.867) 2.057 7.867 ( -3.990 -0.564 -7.869) 8.841 8.704 ( 9.960 -9.549 18.107) 22.765 9.511 ( 4.326 4.249 -8.295) 10.276 9.987 ( -8.247 4.760 3.306) 10.080 10.314 ( -6.621 10.020 -7.509) 14.164 10.372 ( -7.917 5.014 -14.601) 17.350 10.912 ( -7.547 12.247 -8.336) 16.626 11.019 ( -10.307 11.970 -3.855) 16.260 11.087 ( -11.180 12.562 -0.965) 16.844 12.966 ( 25.903 4.297 3.312) 26.465 13.826 ( -8.332 -22.590 19.910) 31.243 14.403 ( 18.485 -20.794 4.165) 28.133 14.753 ( 3.013 26.002 -12.959) 29.208 15.246 ( -21.452 -4.379 -1.855) 21.973 16.222 ( -7.491 9.594 13.339) 18.058 17.939 ( 4.519 -5.254 -8.191) 10.730 18.529 ( -6.208 3.486 -13.865) 15.586 26.046 ( 2.853 -1.564 0.813) 3.353 26.788 ( -10.539 11.302 4.803) 16.183 27.804 ( 4.539 -3.585 -3.135) 6.579 28.410 ( 12.864 -1.545 5.558) 14.098 28.524 ( -4.616 4.544 0.487) 6.496 29.215 ( 4.156 -0.476 42.436) 42.642 30.470 ( 9.043 9.075 -9.929) 16.208 30.851 ( -18.062 -11.045 -26.464) 33.890 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 23.680 -23.680 0.000) 33.489 2.830 ( 29.777 -29.777 0.000) 42.111 3.359 ( 34.828 -34.828 0.000) 49.255 4.455 ( -4.774 4.774 -0.000) 6.751 4.927 ( 5.159 -5.159 0.000) 7.295 5.145 ( 15.529 -15.529 0.000) 21.961 5.269 ( 5.705 -5.705 0.000) 8.067 6.613 ( 9.631 -9.631 0.000) 13.620 6.706 ( 10.213 -10.213 0.000) 14.444 7.091 ( -7.330 7.330 -0.000) 10.366 7.511 ( 0.100 -0.100 0.000) 0.142 7.795 ( 0.614 -0.614 0.000) 0.868 8.823 ( 5.204 -5.204 0.000) 7.359 9.415 ( -0.835 0.835 -0.000) 1.180 10.094 ( -5.198 5.198 -0.000) 7.352 10.216 ( -1.753 1.753 -0.000) 2.479 10.469 ( -13.618 13.618 -0.000) 19.258 11.032 ( -12.024 12.024 -0.000) 17.004 11.144 ( -12.222 12.222 -0.000) 17.284 11.275 ( -12.418 12.418 -0.000) 17.562 12.964 ( 11.362 -11.362 0.000) 16.069 13.744 ( 9.636 -9.636 0.000) 13.628 14.155 ( 20.740 -20.740 0.000) 29.330 14.921 ( -14.928 14.928 -0.000) 21.111 15.264 ( -9.215 9.215 -0.000) 13.032 16.454 ( -7.154 7.154 -0.000) 10.118 17.793 ( 5.715 -5.715 0.000) 8.082 18.461 ( -3.617 3.617 -0.000) 5.115 26.027 ( 1.855 -1.855 0.000) 2.624 26.983 ( -11.308 11.308 -0.000) 15.992 27.736 ( 2.772 -2.772 0.000) 3.920 28.362 ( 8.588 -8.588 0.000) 12.146 28.627 ( -6.640 6.640 -0.000) 9.390 29.958 ( -10.414 10.414 -0.000) 14.728 30.025 ( 9.614 -9.614 0.000) 13.596 30.592 ( 1.031 -1.031 0.000) 1.457 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 0.618 0.618 -10.211) 10.248 3.979 ( 1.340 1.340 -9.982) 10.160 4.385 ( 10.587 10.587 2.171) 15.129 4.553 ( 13.632 13.632 -15.072) 24.471 5.006 ( 7.899 7.899 7.067) 13.219 5.667 ( -1.057 -1.057 -15.760) 15.830 6.160 ( -2.062 -2.062 10.405) 10.806 6.327 ( -1.848 -1.848 25.422) 25.556 6.428 ( -8.210 -8.210 5.285) 12.757 6.748 ( -10.562 -10.562 10.421) 18.213 7.679 ( 3.396 3.396 -7.614) 9.002 8.160 ( -4.154 -4.154 -6.600) 8.835 9.061 ( 4.725 4.725 8.602) 10.892 9.433 ( -5.592 -5.592 -7.149) 10.661 9.834 ( -1.870 -1.870 1.814) 3.206 9.981 ( -5.182 -5.182 -0.151) 7.329 10.438 ( 3.272 3.272 -5.308) 7.042 10.636 ( 3.082 3.082 -2.439) 4.994 10.972 ( 3.950 3.950 -9.082) 10.663 11.278 ( 0.535 0.535 -17.243) 17.260 12.894 ( 4.988 4.988 -8.637) 11.151 13.743 ( -8.849 -8.849 12.564) 17.733 14.317 ( 14.654 14.654 -8.958) 22.577 15.123 ( -0.947 -0.947 11.684) 11.761 15.126 ( -1.561 -1.561 16.054) 16.205 15.475 ( -6.952 -6.952 2.133) 10.061 18.443 ( 2.530 2.530 -10.983) 11.551 18.932 ( -8.557 -8.557 -17.382) 21.179 26.099 ( 0.226 0.226 5.289) 5.299 26.151 ( -0.603 -0.603 2.844) 2.969 27.914 ( 7.621 7.621 14.362) 17.957 28.273 ( 4.193 4.193 -2.214) 6.329 28.328 ( 0.009 0.009 -5.281) 5.281 28.492 ( 3.256 3.256 14.952) 15.645 30.290 ( 9.360 9.360 1.368) 13.308 31.752 ( -17.677 -17.677 -12.521) 27.959 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 13.305 -14.909 -9.545) 22.145 3.914 ( -1.505 5.430 -12.413) 13.632 4.334 ( 23.106 -3.119 -3.165) 23.530 4.738 ( -3.556 18.993 -3.071) 19.565 5.106 ( 5.461 -2.422 -3.035) 6.701 5.388 ( 1.536 -3.032 -12.035) 12.505 6.120 ( 9.011 -19.067 5.933) 21.908 6.483 ( -12.010 2.229 8.679) 14.985 6.709 ( -1.233 -3.202 24.393) 24.633 6.856 ( -5.794 -3.702 15.543) 16.996 7.596 ( 3.255 1.961 -8.257) 9.089 7.941 ( -8.787 -4.193 -11.951) 15.415 9.077 ( 15.277 -14.683 6.319) 22.111 9.475 ( -9.431 11.799 3.129) 15.426 9.774 ( 0.421 -6.036 -2.815) 6.673 9.946 ( -10.907 4.608 -1.782) 11.974 10.449 ( 3.916 3.935 -2.461) 6.072 10.633 ( -4.369 6.800 -4.837) 9.420 10.860 ( 0.674 5.874 -16.105) 17.157 10.978 ( -2.168 1.093 -21.355) 21.493 12.993 ( 16.124 9.593 7.467) 20.193 13.812 ( -8.556 -7.238 11.608) 16.135 14.416 ( 8.434 12.692 -3.883) 15.726 15.097 ( 13.874 -17.056 9.703) 24.032 15.294 ( -12.827 -11.026 -4.207) 17.430 15.538 ( -12.886 12.727 13.441) 22.554 18.282 ( 5.336 -1.854 -10.947) 12.319 18.587 ( -9.703 -1.112 -17.453) 20.000 26.133 ( 5.053 -3.799 4.378) 7.690 26.297 ( -6.704 7.960 6.157) 12.092 28.067 ( 7.970 -1.668 -3.208) 8.752 28.257 ( -0.952 4.641 -1.935) 5.117 28.457 ( 8.164 6.885 13.146) 16.937 28.776 ( 2.641 0.854 18.692) 18.897 30.419 ( 8.081 7.671 -0.175) 11.143 31.287 ( -18.977 -15.736 -17.757) 30.382 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 15.027 -18.303 -6.551) 24.571 3.752 ( 14.889 -3.909 -8.975) 17.819 4.292 ( 12.260 1.930 -1.612) 12.515 4.739 ( 8.866 -27.123 -6.039) 29.167 4.910 ( -2.709 7.201 -2.939) 8.236 5.341 ( 0.798 5.549 -2.456) 6.120 5.902 ( 13.846 -20.399 2.408) 24.772 6.664 ( -11.057 5.007 7.788) 14.421 6.957 ( 6.044 -8.413 17.587) 20.411 7.011 ( 2.120 -5.740 8.652) 10.597 7.497 ( -0.398 1.035 -5.528) 5.638 7.753 ( -8.766 2.914 -9.819) 13.482 9.015 ( 12.394 -12.858 11.735) 21.370 9.588 ( 7.553 -2.248 -4.502) 9.076 9.763 ( -11.686 9.258 5.315) 15.828 9.997 ( -11.019 8.577 -5.189) 14.897 10.357 ( 2.747 -1.099 -12.756) 13.095 10.692 ( -4.877 6.417 -9.918) 12.780 10.714 ( -9.068 11.383 -5.925) 15.714 10.792 ( -9.038 8.240 -7.545) 14.370 13.269 ( 26.369 5.035 9.569) 28.500 13.936 ( -10.001 -8.190 20.086) 23.886 14.487 ( 5.785 12.814 -13.077) 19.201 14.954 ( 5.803 -14.289 2.926) 15.698 15.039 ( -9.200 -12.397 -4.828) 16.175 15.921 ( -12.473 13.848 10.522) 21.402 18.081 ( 5.109 -5.346 -7.334) 10.415 18.388 ( -6.595 3.896 -11.481) 13.802 26.135 ( 4.948 -3.632 2.429) 6.602 26.508 ( -8.644 9.610 4.596) 13.719 27.942 ( 6.591 -5.102 -3.799) 9.160 28.324 ( -5.831 8.301 -1.728) 10.291 28.677 ( 14.930 -3.579 8.463) 17.531 29.170 ( -1.540 8.415 25.910) 27.286 30.481 ( 6.837 5.337 -5.507) 10.274 30.794 ( -15.665 -13.600 -17.789) 27.328 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 19.238 -19.238 0.000) 27.206 3.538 ( 19.134 -19.134 0.000) 27.059 4.233 ( 27.890 -27.890 0.000) 39.442 4.337 ( -1.967 1.967 -0.000) 2.781 4.957 ( -1.890 1.890 -0.000) 2.673 5.365 ( 0.515 -0.515 0.000) 0.728 5.647 ( 18.513 -18.513 0.000) 26.181 6.851 ( -9.998 9.998 -0.000) 14.140 6.904 ( 11.201 -11.201 0.000) 15.841 6.984 ( 9.560 -9.560 0.000) 13.521 7.487 ( -1.978 1.978 -0.000) 2.797 7.737 ( -5.054 5.054 -0.000) 7.147 9.009 ( 8.387 -8.387 0.000) 11.862 9.464 ( 4.461 -4.461 0.000) 6.309 9.954 ( -4.869 4.869 -0.000) 6.886 10.074 ( -14.732 14.732 -0.000) 20.834 10.201 ( 1.035 -1.035 0.000) 1.464 10.736 ( -8.912 8.912 -0.000) 12.604 10.800 ( -12.167 12.167 -0.000) 17.206 10.924 ( -12.308 12.308 -0.000) 17.407 13.297 ( 12.661 -12.661 0.000) 17.905 14.034 ( 11.163 -11.163 0.000) 15.786 14.496 ( -15.537 15.537 -0.000) 21.972 14.738 ( 20.982 -20.982 0.000) 29.673 14.988 ( -10.661 10.661 -0.000) 15.077 16.191 ( -11.865 11.865 -0.000) 16.779 17.946 ( 5.375 -5.375 0.000) 7.601 18.351 ( -4.290 4.290 -0.000) 6.067 26.102 ( 3.643 -3.643 0.000) 5.151 26.683 ( -10.156 10.156 -0.000) 14.362 27.842 ( 4.872 -4.872 0.000) 6.890 28.426 ( -7.734 7.734 -0.000) 10.938 28.631 ( 10.713 -10.713 0.000) 15.151 29.643 ( -12.131 12.131 -0.000) 17.156 30.269 ( 7.826 -7.826 0.000) 11.068 30.603 ( -0.408 0.408 -0.000) 0.576 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -0.212 -0.212 -6.332) 6.339 3.663 ( -1.504 -1.504 -7.406) 7.705 4.627 ( 6.519 6.519 -0.882) 9.261 4.630 ( 7.293 7.293 -2.113) 10.528 5.131 ( 0.601 0.601 -2.676) 2.808 5.194 ( -3.021 -3.021 -7.748) 8.848 6.321 ( -2.138 -2.138 4.739) 5.622 6.355 ( -4.488 -4.488 2.552) 6.841 7.084 ( -1.212 -1.212 22.384) 22.450 7.085 ( -1.321 -1.321 18.044) 18.140 7.503 ( 3.090 3.090 -10.252) 11.145 7.628 ( -5.778 -5.778 -13.720) 15.969 9.377 ( 0.658 0.658 6.498) 6.565 9.406 ( -1.206 -1.206 9.310) 9.465 9.754 ( 1.264 1.264 -5.336) 5.627 9.798 ( -1.704 -1.704 -2.677) 3.602 10.465 ( 1.578 1.578 -4.991) 5.468 10.479 ( 0.524 0.524 -10.378) 10.405 10.634 ( 0.200 0.200 -9.782) 9.786 10.646 ( -0.721 -0.721 -14.033) 14.070 13.469 ( 17.753 17.753 18.951) 31.455 13.849 ( -3.137 -3.137 4.800) 6.536 14.484 ( 4.110 4.110 0.391) 5.825 14.873 ( -17.445 -17.445 -14.526) 28.630 15.498 ( 0.236 0.236 7.614) 7.622 15.499 ( 0.131 0.131 7.776) 7.778 18.202 ( 1.657 1.657 -6.872) 7.261 18.266 ( -3.022 -3.022 -10.931) 11.737 26.286 ( 0.742 0.742 3.930) 4.068 26.290 ( 0.459 0.459 3.617) 3.674 28.110 ( 1.949 1.949 -2.572) 3.769 28.138 ( -0.073 -0.073 -4.421) 4.423 28.879 ( 9.502 9.502 17.648) 22.182 29.024 ( 0.684 0.684 11.511) 11.552 30.495 ( 4.696 4.696 -1.335) 6.774 30.781 ( -14.204 -14.204 -16.386) 25.923 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 14.376 -14.376 0.000) 20.331 3.712 ( -5.688 5.688 -0.000) 8.044 4.498 ( 12.333 -12.333 0.000) 17.442 4.813 ( -8.682 8.682 -0.000) 12.278 4.884 ( 18.758 -18.758 0.000) 26.528 5.261 ( -8.461 8.461 -0.000) 11.965 6.131 ( 16.104 -16.104 0.000) 22.774 6.534 ( -12.968 12.968 -0.000) 18.340 7.223 ( 7.526 -7.526 0.000) 10.643 7.223 ( 11.568 -11.568 0.000) 16.360 7.394 ( -4.766 4.766 -0.000) 6.740 7.525 ( -9.767 9.767 -0.000) 13.812 9.293 ( 12.071 -12.071 0.000) 17.071 9.637 ( 7.164 -7.164 0.000) 10.132 9.666 ( -14.452 14.452 -0.000) 20.438 9.816 ( -5.445 5.445 -0.000) 7.700 10.287 ( 5.276 -5.276 0.000) 7.462 10.494 ( -9.527 9.527 -0.000) 13.473 10.571 ( -2.245 2.245 -0.000) 3.176 10.640 ( -7.137 7.137 -0.000) 10.093 13.666 ( 13.982 -13.982 0.000) 19.774 14.070 ( -15.070 15.070 -0.000) 21.312 14.354 ( 11.775 -11.775 0.000) 16.652 14.679 ( -11.552 11.552 -0.000) 16.338 15.302 ( 19.443 -19.443 0.000) 27.496 15.800 ( -16.249 16.249 -0.000) 22.980 18.090 ( 5.027 -5.027 0.000) 7.110 18.225 ( -4.712 4.712 -0.000) 6.664 26.233 ( 5.860 -5.860 0.000) 8.287 26.428 ( -8.171 8.171 -0.000) 11.555 28.004 ( 6.740 -6.740 0.000) 9.532 28.208 ( -7.789 7.789 -0.000) 11.016 28.950 ( 12.168 -12.168 0.000) 17.207 29.297 ( -12.698 12.698 -0.000) 17.958 30.452 ( 5.296 -5.296 0.000) 7.490 30.562 ( -2.648 2.648 -0.000) 3.745 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 22.111 22.111 22.038) 38.255 2.285 ( 28.945 28.945 19.646) 45.405 3.281 ( 22.879 22.879 47.557) 57.520 4.652 ( 14.146 14.146 5.351) 20.708 4.674 ( -4.459 -4.459 4.296) 7.630 4.901 ( 4.141 4.141 -2.519) 6.375 5.013 ( 7.265 7.265 -4.025) 11.035 6.090 ( 6.828 6.828 -16.810) 19.386 6.129 ( 7.622 7.622 -10.059) 14.744 7.392 ( -5.053 -5.053 5.521) 9.031 7.558 ( 0.129 0.129 3.919) 3.924 7.896 ( 5.473 5.473 8.673) 11.625 8.028 ( 9.206 9.206 -14.031) 19.140 9.853 ( -9.199 -9.199 1.796) 13.133 10.141 ( -5.194 -5.194 -5.371) 9.100 10.835 ( -7.231 -7.231 19.530) 22.045 10.958 ( -11.491 -11.491 4.288) 16.808 11.389 ( -5.716 -5.716 -7.480) 11.013 11.506 ( -7.974 -7.974 -3.501) 11.808 11.575 ( -11.347 -11.347 11.678) 19.847 12.724 ( 6.529 6.529 7.352) 11.803 13.100 ( 10.342 10.342 -10.438) 17.968 13.548 ( 16.025 16.025 -1.340) 22.703 15.339 ( -5.218 -5.218 -9.048) 11.676 15.475 ( -5.942 -5.942 -2.563) 8.785 16.142 ( -1.803 -1.803 -22.483) 22.627 18.152 ( -7.439 -7.439 23.740) 25.966 18.997 ( -4.073 -4.073 21.905) 22.649 26.027 ( -0.469 -0.469 1.911) 2.023 27.178 ( -11.200 -11.200 -6.356) 17.067 27.692 ( 25.811 25.811 -48.297) 60.540 27.707 ( 3.113 3.113 0.837) 4.482 28.157 ( 3.808 3.808 0.977) 5.473 28.736 ( -0.334 -0.334 -8.207) 8.220 30.423 ( 2.484 2.484 -8.305) 9.017 31.882 ( -18.940 -18.940 37.800) 46.328 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 29.058 12.390 22.501) 38.784 3.016 ( 17.610 28.314 22.172) 40.043 4.190 ( 4.624 20.780 24.332) 32.330 4.634 ( -2.862 -5.719 -0.159) 6.397 4.947 ( 12.749 13.167 3.659) 18.689 4.960 ( 10.842 6.091 8.134) 14.860 5.118 ( 1.508 13.181 0.303) 13.271 5.933 ( 7.047 4.474 -13.162) 15.586 6.160 ( 4.009 11.301 -3.784) 12.574 7.357 ( -11.257 -6.955 -0.478) 13.241 7.642 ( 1.474 0.002 6.523) 6.688 7.977 ( 8.620 6.468 -7.811) 13.309 8.151 ( 2.713 10.070 10.528) 14.819 9.684 ( 3.752 -13.740 -0.550) 14.253 10.041 ( -13.450 1.933 -4.545) 14.328 10.779 ( -5.609 -15.449 0.650) 16.449 10.915 ( -9.566 -9.445 2.789) 13.730 11.127 ( -1.760 -7.331 -13.038) 15.061 11.395 ( -7.465 -5.207 0.934) 9.149 11.585 ( -2.827 -10.682 8.397) 13.878 12.907 ( 6.882 -1.859 15.548) 17.104 13.252 ( -2.713 14.276 3.186) 14.877 13.754 ( 12.964 18.347 -3.534) 22.742 15.102 ( 1.467 -10.981 -5.298) 12.280 15.339 ( -3.334 0.160 -10.544) 11.059 15.778 ( -3.285 -2.247 -20.714) 21.093 18.361 ( -2.174 -6.261 16.758) 18.021 19.262 ( -8.132 -3.381 18.826) 20.784 26.041 ( -2.085 -0.872 1.283) 2.598 26.906 ( -12.771 -12.798 -7.346) 19.515 27.431 ( 17.933 20.934 -30.064) 40.789 27.770 ( 7.882 3.637 0.814) 8.719 28.221 ( 2.894 2.149 2.196) 4.221 28.621 ( -0.270 0.381 -6.581) 6.598 30.314 ( 5.558 1.871 -9.413) 11.091 32.111 ( -16.039 -14.222 23.716) 31.968 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 30.865 8.600 19.216) 37.361 3.678 ( 9.848 18.896 19.283) 28.738 4.440 ( 3.917 2.080 -6.080) 7.526 4.596 ( -2.832 1.884 0.190) 3.407 5.106 ( 5.136 11.876 -3.178) 13.323 5.243 ( 7.133 12.870 5.471) 15.699 5.484 ( 6.068 10.194 21.467) 24.527 5.814 ( 6.472 1.217 -7.984) 10.350 6.294 ( 0.588 9.371 1.318) 9.482 7.175 ( -15.386 -10.940 -6.380) 19.928 7.735 ( 5.597 -1.065 6.040) 8.303 7.958 ( 7.409 4.222 -4.474) 9.630 8.487 ( -0.505 14.328 10.602) 17.831 9.539 ( 7.212 -6.480 1.128) 9.761 10.036 ( -13.612 3.177 -1.272) 14.036 10.526 ( -10.098 -15.200 -6.199) 19.273 10.709 ( 0.065 -13.602 -4.224) 14.243 10.888 ( 0.092 -3.534 -8.398) 9.112 11.363 ( -8.219 -2.423 1.172) 8.649 11.531 ( 1.806 -7.576 1.957) 8.031 13.143 ( -0.709 -1.575 16.459) 16.549 13.501 ( -5.474 6.945 8.432) 12.219 13.937 ( 11.981 16.023 -3.998) 20.402 14.910 ( 4.912 -11.324 1.215) 12.403 15.160 ( 1.411 2.164 -14.686) 14.912 15.474 ( -4.594 -1.227 -15.017) 15.752 18.499 ( 1.315 -3.569 10.258) 10.941 19.461 ( -10.885 -2.470 12.316) 16.621 26.047 ( -4.151 -0.469 0.823) 4.258 26.623 ( -13.000 -10.055 -7.776) 18.182 27.320 ( 13.913 12.811 -15.983) 24.762 27.817 ( 12.328 2.676 -0.603) 12.630 28.291 ( 1.671 0.594 4.513) 4.849 28.546 ( -0.570 1.042 -4.773) 4.919 30.202 ( 8.209 1.244 -7.672) 11.304 32.234 ( -15.790 -8.741 13.581) 22.587 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( 33.423 3.989 9.503) 34.976 4.013 ( 0.021 3.172 2.695) 4.162 4.434 ( 8.293 3.552 4.972) 10.302 4.572 ( 1.507 -0.992 -4.940) 5.259 5.195 ( 0.947 7.420 -3.030) 8.070 5.470 ( 5.533 9.069 4.043) 11.367 5.685 ( 4.237 -4.102 -4.063) 7.162 5.855 ( 5.697 3.620 8.996) 11.247 6.428 ( -2.226 4.720 2.085) 5.619 6.929 ( -15.968 -7.669 -5.035) 18.416 7.787 ( 8.866 -0.644 2.232) 9.165 7.953 ( 5.551 1.471 -1.427) 5.918 8.812 ( -1.435 9.802 6.187) 11.680 9.514 ( 5.884 -1.530 1.159) 6.189 10.076 ( -12.085 1.544 2.091) 12.361 10.219 ( -10.180 -8.540 -8.131) 15.578 10.542 ( 1.897 -5.438 -0.034) 5.760 10.742 ( 1.246 -2.176 -4.424) 5.085 11.355 ( -8.417 -0.442 0.246) 8.432 11.466 ( 4.282 -3.013 0.088) 5.237 13.310 ( -4.942 -0.612 6.433) 8.135 13.665 ( -7.624 1.682 4.342) 8.934 14.062 ( 13.950 6.581 -0.866) 15.448 14.834 ( 5.230 -4.669 2.796) 7.548 14.983 ( 1.507 0.145 -8.323) 8.459 15.306 ( -1.875 0.478 -6.022) 6.325 18.573 ( 2.819 -1.088 3.506) 4.628 19.564 ( -12.174 -0.947 4.253) 12.930 26.055 ( -5.181 0.070 0.458) 5.202 26.430 ( -13.104 -3.980 -3.559) 14.150 27.281 ( 12.432 4.239 -4.958) 14.039 27.831 ( 13.997 0.922 -0.592) 14.039 28.362 ( 1.606 -0.084 3.440) 3.797 28.500 ( -0.911 0.710 -2.765) 2.997 30.129 ( 9.874 0.439 -3.032) 10.339 32.289 ( -16.192 -2.961 4.459) 17.054 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 24.740 -0.000 0.000) 24.740 1.182 ( 41.229 -0.000 0.000) 41.229 2.025 ( 69.512 -0.000 0.000) 69.512 4.341 ( 17.812 -0.000 0.000) 17.812 4.626 ( -2.105 0.000 -0.000) 2.105 4.873 ( 0.066 -0.000 0.000) 0.066 5.016 ( 8.989 -0.000 0.000) 8.989 6.288 ( 8.110 -0.000 0.000) 8.110 6.300 ( 9.323 -0.000 0.000) 9.323 7.370 ( -0.241 0.000 -0.000) 0.241 7.510 ( 2.473 -0.000 0.000) 2.473 7.697 ( 5.910 -0.000 0.000) 5.910 8.667 ( 2.619 -0.000 0.000) 2.619 9.469 ( -10.025 0.000 -0.000) 10.025 10.246 ( -7.663 0.000 -0.000) 7.663 10.372 ( 0.435 -0.000 0.000) 0.435 11.158 ( -2.051 0.000 -0.000) 2.051 11.460 ( -21.689 0.000 -0.000) 21.689 11.566 ( -16.122 0.000 -0.000) 16.122 11.724 ( -10.268 0.000 -0.000) 10.268 12.265 ( -2.316 0.000 -0.000) 2.316 13.289 ( 21.479 -0.000 0.000) 21.479 13.666 ( 21.312 -0.000 0.000) 21.312 15.362 ( -22.679 0.000 -0.000) 22.679 15.742 ( 2.237 -0.000 0.000) 2.237 16.623 ( -3.111 0.000 -0.000) 3.111 17.546 ( 6.676 -0.000 0.000) 6.676 18.618 ( -0.496 0.000 -0.000) 0.496 25.973 ( -0.568 0.000 -0.000) 0.568 27.487 ( -10.572 0.000 -0.000) 10.572 27.674 ( 0.450 -0.000 0.000) 0.450 28.023 ( 0.800 -0.000 0.000) 0.800 28.852 ( -5.104 0.000 -0.000) 5.104 29.618 ( 14.437 -0.000 0.000) 14.437 30.013 ( -18.035 0.000 -0.000) 18.035 30.822 ( 11.149 -0.000 0.000) 11.149 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 16.122 16.122 22.272) 31.873 3.604 ( 23.784 23.784 16.859) 37.624 4.407 ( 6.609 6.609 -1.522) 9.470 4.575 ( -4.105 -4.105 -1.361) 5.963 5.067 ( 7.366 7.366 -6.916) 12.504 5.201 ( 10.737 10.737 6.674) 16.586 5.449 ( 10.109 10.109 23.530) 27.532 5.866 ( 3.645 3.645 -5.670) 7.664 6.220 ( 5.762 5.762 1.506) 8.287 7.143 ( -13.688 -13.688 -4.726) 19.926 7.800 ( 2.183 2.183 9.867) 10.338 7.974 ( 6.970 6.970 -6.841) 11.998 8.367 ( 6.297 6.297 9.887) 13.306 9.737 ( -1.917 -1.917 3.147) 4.154 9.818 ( -3.849 -3.849 -4.453) 7.033 10.565 ( -14.386 -14.386 -7.899) 21.825 10.840 ( -8.307 -8.307 0.844) 11.778 10.888 ( -0.480 -0.480 -14.048) 14.065 11.314 ( -4.734 -4.734 -0.235) 6.699 11.602 ( -3.839 -3.839 0.890) 5.501 13.157 ( -0.594 -0.594 11.892) 11.922 13.395 ( -0.358 -0.358 14.082) 14.091 13.910 ( 15.181 15.181 -1.207) 21.503 15.052 ( 0.739 0.739 -3.725) 3.869 15.141 ( -0.233 -0.233 -11.723) 11.728 15.441 ( -3.935 -3.935 -15.368) 16.345 18.542 ( -1.892 -1.892 10.639) 10.970 19.391 ( -7.592 -7.592 12.349) 16.364 26.017 ( -2.203 -2.203 0.030) 3.116 26.599 ( -11.387 -11.387 -9.668) 18.783 27.331 ( 15.303 15.303 -14.749) 26.189 27.890 ( 6.434 6.434 0.915) 9.144 28.301 ( 0.928 0.928 4.713) 4.893 28.532 ( 1.045 1.045 -5.728) 5.915 30.257 ( 7.265 7.265 -9.363) 13.901 32.179 ( -15.896 -15.896 14.991) 27.021 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 21.432 8.194 17.043) 28.582 4.058 ( 18.199 6.926 5.117) 20.134 4.461 ( 6.666 11.587 -0.846) 13.395 4.520 ( -3.479 1.923 -3.127) 5.058 5.072 ( 5.070 11.312 -8.359) 14.951 5.437 ( 5.740 6.874 8.195) 12.139 5.797 ( 4.774 -0.137 3.073) 5.679 5.895 ( 6.164 2.801 9.665) 11.800 6.328 ( -1.398 4.392 2.679) 5.331 6.859 ( -17.120 -14.919 -4.852) 23.221 7.928 ( 10.378 2.008 -1.282) 10.648 7.994 ( 4.285 2.898 3.651) 6.331 8.637 ( 1.413 11.504 8.825) 14.568 9.661 ( 6.051 -6.721 1.109) 9.111 9.874 ( -9.647 4.912 2.795) 11.181 10.204 ( -13.848 -13.212 -11.667) 22.415 10.668 ( 1.400 -7.665 -3.855) 8.694 10.753 ( -2.476 0.002 -6.613) 7.061 11.258 ( -5.382 -0.745 -2.167) 5.850 11.546 ( -0.593 -3.910 -0.202) 3.960 13.273 ( -2.545 -1.376 4.655) 5.481 13.549 ( -5.689 -0.285 5.528) 7.937 14.139 ( 13.109 9.993 7.153) 17.969 14.954 ( 5.253 -0.525 -8.274) 9.815 14.996 ( 0.524 0.294 -8.233) 8.255 15.273 ( -3.119 -1.264 -0.828) 3.466 18.633 ( 2.230 -1.142 3.927) 4.658 19.428 ( -11.908 -5.417 4.324) 13.778 25.996 ( -3.552 -0.981 0.330) 3.700 26.336 ( -10.310 -6.660 -7.257) 14.259 27.370 ( 12.968 9.373 -3.396) 16.357 27.966 ( 7.506 2.049 1.728) 7.970 28.383 ( 1.221 0.132 4.309) 4.480 28.475 ( 0.603 2.039 -4.465) 4.946 30.239 ( 12.730 7.731 -6.433) 16.224 32.144 ( -18.944 -12.729 6.875) 23.836 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( 33.004 -4.665 -6.911) 34.041 4.041 ( 3.361 1.998 5.141) 6.459 4.477 ( 0.096 1.750 -7.239) 7.448 4.661 ( 9.763 3.238 5.189) 11.521 5.159 ( 2.382 14.728 -4.478) 15.577 5.650 ( 4.970 2.108 10.332) 11.657 5.725 ( 3.860 -9.846 0.909) 10.615 5.983 ( 6.012 -2.279 -2.227) 6.804 6.413 ( -5.300 0.778 2.478) 5.902 6.659 ( -18.585 -5.820 1.158) 19.510 7.893 ( 9.301 3.618 -7.149) 12.276 8.078 ( 7.606 -2.904 6.201) 10.234 8.859 ( 0.730 2.639 1.591) 3.167 9.578 ( 1.320 -4.388 -0.950) 4.680 9.936 ( -9.933 -1.483 -3.793) 10.735 9.998 ( -10.569 2.504 2.857) 11.231 10.548 ( 2.055 -2.067 -2.466) 3.818 10.713 ( 0.394 3.792 -0.738) 3.883 11.228 ( -5.427 2.549 -3.203) 6.798 11.501 ( 0.653 -1.969 -0.365) 2.106 13.252 ( -2.429 0.208 -6.061) 6.533 13.567 ( -8.289 -1.465 -1.121) 8.492 14.326 ( 14.684 -1.539 7.364) 16.498 14.851 ( 6.408 4.827 -9.357) 12.325 14.960 ( -2.916 1.772 5.823) 6.749 15.306 ( -1.345 -2.453 6.178) 6.782 18.628 ( 4.548 -0.793 -2.901) 5.453 19.377 ( -14.416 -1.945 -4.122) 15.120 25.997 ( -3.510 -0.646 0.796) 3.657 26.226 ( -10.376 0.709 -0.780) 10.429 27.475 ( 12.871 2.739 6.060) 14.488 28.011 ( 7.980 -2.067 4.328) 9.310 28.388 ( 2.513 0.180 -3.654) 4.438 28.478 ( -1.053 1.599 1.180) 2.249 30.275 ( 15.887 6.253 -1.653) 17.153 32.046 ( -21.467 -7.026 -1.583) 22.643 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 24.396 -11.031 -16.058) 31.221 4.056 ( 19.712 -7.067 -8.023) 22.425 4.403 ( -2.934 5.950 -4.240) 7.873 4.699 ( 5.609 -6.946 4.274) 9.898 5.265 ( 3.419 1.987 1.803) 4.346 5.510 ( 4.907 -14.532 -3.766) 15.794 5.710 ( 7.442 -9.119 -10.566) 15.817 5.924 ( 7.056 -1.167 10.544) 12.740 6.390 ( -2.686 -6.100 1.753) 6.892 6.785 ( -18.952 9.513 8.120) 22.706 7.809 ( 7.192 1.428 -8.608) 11.308 8.110 ( 5.911 -3.132 3.864) 7.725 8.695 ( 2.656 -14.552 -7.033) 16.379 9.570 ( 4.471 3.324 -1.163) 5.691 9.889 ( -11.220 -0.819 -1.031) 11.297 10.164 ( -13.447 10.735 5.860) 18.177 10.565 ( 1.724 7.942 -0.754) 8.162 10.816 ( -1.947 5.635 4.186) 7.284 11.230 ( -3.824 4.152 -2.945) 6.366 11.471 ( -0.004 2.666 -4.666) 5.373 13.116 ( 0.628 2.092 -12.621) 12.808 13.488 ( -8.958 -6.369 -1.480) 11.091 14.331 ( 14.516 -13.388 8.135) 21.357 14.829 ( 8.333 12.974 -8.449) 17.583 15.177 ( -1.943 1.037 14.117) 14.288 15.382 ( -7.063 -1.099 9.562) 11.938 18.523 ( 4.431 -0.801 -9.280) 10.315 19.254 ( -13.822 1.897 -11.706) 18.212 25.998 ( -2.553 -0.653 0.940) 2.798 26.330 ( -10.728 7.667 5.565) 14.312 27.633 ( 13.629 -3.765 15.849) 21.239 28.027 ( 9.173 -5.317 3.349) 11.119 28.328 ( 1.843 -0.984 -2.287) 3.097 28.522 ( -1.648 2.021 1.362) 2.942 30.352 ( 14.851 3.189 2.712) 15.430 31.904 ( -21.688 0.297 -10.941) 24.294 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 22.554 -15.513 -17.592) 32.540 3.655 ( 27.218 -18.199 -17.311) 37.037 4.466 ( -4.354 5.858 -2.573) 7.739 4.550 ( 3.698 -17.305 -5.547) 18.544 5.183 ( 7.907 -5.963 -16.229) 19.012 5.270 ( 6.321 -6.369 3.276) 9.553 5.390 ( 12.296 -17.592 -2.632) 21.624 6.103 ( 7.468 -4.876 17.038) 19.231 6.343 ( 1.984 -8.065 5.486) 9.953 7.050 ( -14.890 10.630 5.589) 19.130 7.678 ( 3.191 -0.807 -8.311) 8.939 8.105 ( 0.749 -1.319 -1.357) 2.035 8.400 ( 9.336 -14.829 -1.660) 17.601 9.614 ( 5.919 6.472 -1.575) 8.911 9.880 ( -12.483 -0.932 2.588) 12.782 10.419 ( -13.405 15.865 1.397) 20.817 10.681 ( -4.421 9.152 -2.861) 10.559 10.979 ( -5.498 8.205 5.060) 11.098 11.241 ( -3.968 4.415 -3.535) 6.909 11.411 ( -2.931 8.003 -13.903) 16.307 12.982 ( 8.965 3.313 -8.106) 12.532 13.365 ( -7.668 -12.869 3.771) 15.448 14.222 ( 16.184 -18.772 7.202) 25.810 14.959 ( 6.539 17.157 -2.670) 18.554 15.271 ( -9.750 -4.167 3.680) 11.224 15.660 ( -6.227 5.454 19.602) 21.279 18.330 ( 2.468 -0.703 -14.256) 14.486 19.077 ( -10.283 4.616 -17.377) 20.712 26.011 ( -0.944 -0.008 1.138) 1.479 26.571 ( -11.295 11.000 7.966) 17.664 27.863 ( 14.615 -7.199 23.146) 28.305 27.953 ( 7.750 -7.975 1.483) 11.219 28.309 ( 2.973 -4.321 3.812) 6.484 28.586 ( -2.059 2.845 2.979) 4.605 30.436 ( 10.005 -0.115 5.300) 11.322 31.713 ( -19.090 7.690 -21.856) 30.021 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 21.618 -21.618 -15.901) 34.460 3.086 ( 28.082 -28.082 -15.019) 42.458 3.932 ( 23.372 -23.372 -29.228) 44.122 4.526 ( -6.084 6.084 -3.351) 9.233 4.978 ( 4.663 -4.663 -4.298) 7.872 5.128 ( 15.981 -15.981 0.173) 22.602 5.224 ( 7.355 -7.355 2.998) 10.825 6.302 ( 8.123 -8.123 19.899) 22.977 6.348 ( 7.640 -7.640 10.062) 14.764 7.206 ( -8.214 8.214 -2.156) 11.815 7.566 ( 0.416 -0.416 -4.475) 4.514 7.995 ( 1.095 -1.095 -9.851) 9.972 8.308 ( 11.411 -11.411 13.394) 20.973 9.665 ( -4.110 4.110 -3.191) 6.631 9.980 ( -6.227 6.227 5.598) 10.435 10.607 ( -13.760 13.760 -4.649) 20.008 10.662 ( -5.398 5.398 -13.809) 15.779 11.184 ( -9.156 9.156 3.869) 13.515 11.266 ( -8.444 8.444 -2.988) 12.309 11.277 ( -9.776 9.776 -17.185) 22.056 12.924 ( 7.712 -7.712 -0.621) 10.923 13.326 ( 6.437 -6.437 13.301) 16.118 14.046 ( 19.217 -19.217 4.799) 27.598 15.179 ( -6.155 6.155 4.590) 9.840 15.245 ( -9.671 9.671 -7.008) 15.367 16.050 ( -5.002 5.002 20.857) 22.024 18.081 ( 1.112 -1.112 -16.326) 16.401 18.860 ( -5.715 5.715 -19.951) 21.526 26.022 ( 0.289 -0.289 0.265) 0.487 26.850 ( -11.743 11.743 7.360) 18.165 27.810 ( 4.366 -4.366 -4.018) 7.367 28.231 ( 12.953 -12.953 38.640) 42.762 28.291 ( 5.763 -5.763 3.272) 8.783 28.705 ( -1.384 1.384 9.568) 9.766 30.502 ( 3.163 -3.163 5.843) 7.358 31.431 ( -13.860 13.860 -35.480) 40.535 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 16.923 -49.366 0.000) 52.186 1.820 ( 36.130 -11.721 0.000) 37.984 2.971 ( 61.439 -4.194 0.000) 61.582 4.572 ( -2.852 2.817 -0.000) 4.009 4.674 ( 20.435 -6.955 0.000) 21.586 4.914 ( 2.970 -4.334 0.000) 5.255 5.153 ( 8.261 -1.642 0.000) 8.422 6.437 ( 10.698 -2.815 0.000) 11.062 6.492 ( 12.823 -4.669 0.000) 13.647 7.330 ( 0.450 6.786 -0.000) 6.801 7.519 ( 1.743 1.757 -0.000) 2.475 7.791 ( 7.480 0.653 0.000) 7.509 8.724 ( 3.967 -1.882 0.000) 4.390 9.343 ( -12.709 -4.958 -0.000) 13.642 10.133 ( -8.225 -0.175 -0.000) 8.226 10.347 ( 0.274 4.047 -0.000) 4.056 10.884 ( -10.583 17.348 -0.000) 20.321 11.239 ( -18.285 0.931 -0.000) 18.309 11.365 ( -13.520 -1.207 -0.000) 13.574 11.519 ( -14.191 4.670 -0.000) 14.940 12.352 ( -4.961 -17.981 0.000) 18.653 13.682 ( 23.254 -10.537 0.000) 25.530 13.914 ( 26.218 9.635 0.000) 27.932 15.006 ( -28.694 -0.471 -0.000) 28.698 15.694 ( 3.086 11.601 -0.000) 12.004 16.557 ( -6.028 0.835 -0.000) 6.086 17.666 ( 7.226 -2.776 0.000) 7.741 18.578 ( -1.091 3.878 -0.000) 4.028 25.976 ( -0.529 -1.545 0.000) 1.633 27.270 ( -12.105 7.719 -0.000) 14.357 27.687 ( 1.052 -0.682 0.000) 1.254 28.089 ( 0.315 -8.434 0.000) 8.440 28.749 ( -7.531 2.147 -0.000) 7.831 29.826 ( -21.480 -9.509 -0.000) 23.490 29.869 ( 18.000 -2.363 0.000) 18.154 30.882 ( 11.937 11.678 0.000) 16.699 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 19.990 -0.000 18.545) 27.268 1.941 ( 33.813 -0.000 23.835) 41.369 3.111 ( 58.020 -0.000 21.833) 61.992 4.627 ( -3.179 0.000 4.289) 5.339 4.641 ( 20.651 -0.000 2.243) 20.772 4.847 ( 2.233 0.000 -4.622) 5.133 5.138 ( 8.984 -0.000 -0.631) 9.006 6.320 ( 11.296 0.000 -15.819) 19.438 6.358 ( 11.341 -0.000 -7.611) 13.658 7.413 ( 1.317 -0.000 3.906) 4.122 7.592 ( 2.608 -0.000 5.696) 6.265 7.838 ( 9.473 -0.000 5.398) 10.903 8.292 ( 8.024 0.000 -32.778) 33.746 9.562 ( -19.534 0.000 12.876) 23.396 10.329 ( -9.910 -0.000 23.980) 25.947 10.364 ( 0.408 0.000 -1.530) 1.583 11.158 ( -5.519 0.000 4.143) 6.901 11.173 ( -22.771 0.000 3.816) 23.088 11.346 ( -15.700 0.000 1.327) 15.756 11.538 ( -12.971 0.000 -1.560) 13.064 12.290 ( -2.486 -0.000 8.197) 8.566 13.562 ( 23.476 -0.000 -6.903) 24.470 13.810 ( 26.178 -0.000 -16.424) 30.904 15.095 ( -27.520 0.000 7.562) 28.541 15.726 ( 3.014 0.000 -6.822) 7.458 16.432 ( -5.031 0.000 -15.389) 16.190 17.790 ( 0.840 -0.000 17.294) 17.315 18.760 ( -1.238 -0.000 18.050) 18.092 25.981 ( -0.815 -0.000 2.220) 2.365 27.300 ( -12.606 0.000 -3.544) 13.094 27.669 ( 0.807 0.000 -1.821) 1.991 28.009 ( -0.455 0.000 -3.093) 3.126 28.598 ( 11.696 0.000 -37.712) 39.484 28.908 ( 7.414 0.000 -29.993) 30.896 30.347 ( -7.278 -0.000 10.161) 12.499 31.343 ( -4.358 -0.000 41.984) 42.210 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.051 ( 4.306 4.306 8.038) 10.084 4.239 ( 2.100 2.100 -7.926) 8.464 4.440 ( 12.845 12.845 -7.149) 19.522 4.683 ( 9.495 9.495 10.453) 17.017 5.022 ( 11.094 11.094 -10.960) 19.138 5.658 ( 2.620 2.620 13.212) 13.722 5.869 ( -1.595 -1.595 3.534) 4.192 6.051 ( 2.743 2.743 0.989) 4.003 6.318 ( -3.553 -3.553 1.294) 5.188 6.587 ( -15.599 -15.599 0.334) 22.063 7.932 ( 6.759 6.759 -8.529) 12.810 8.174 ( 2.704 2.704 5.703) 6.866 8.821 ( 6.756 6.756 7.915) 12.407 9.645 ( -8.044 -8.044 -3.627) 11.940 9.877 ( -6.735 -6.735 -7.197) 11.938 9.881 ( -1.160 -1.160 5.145) 5.400 10.606 ( -2.390 -2.390 -4.179) 5.375 10.667 ( 2.223 2.223 -2.266) 3.876 11.167 ( 0.605 0.605 -4.501) 4.582 11.521 ( -2.409 -2.409 -0.434) 3.434 13.235 ( -0.367 -0.367 -6.421) 6.442 13.513 ( -5.222 -5.222 0.754) 7.423 14.455 ( 9.376 9.376 11.300) 17.421 14.872 ( 5.143 5.143 -8.626) 11.283 14.902 ( -2.320 -2.320 -0.489) 3.316 15.318 ( -2.038 -2.038 6.575) 7.179 18.677 ( 2.527 2.527 -2.585) 4.411 19.276 ( -9.755 -9.755 -3.956) 14.352 25.978 ( -1.383 -1.383 2.156) 2.910 26.146 ( -5.345 -5.345 -2.847) 8.077 27.547 ( 9.610 9.610 5.512) 14.666 28.085 ( 0.385 0.385 7.054) 7.076 28.421 ( 2.241 2.241 -4.944) 5.873 28.442 ( 0.474 0.474 1.062) 1.255 30.351 ( 14.944 14.944 -4.485) 21.605 31.937 ( -18.396 -18.396 0.414) 26.019 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 11.640 -10.702 -10.919) 19.216 4.205 ( -5.387 7.681 -2.919) 9.825 4.467 ( 22.652 0.926 -6.576) 23.606 4.826 ( 3.999 0.573 0.418) 4.061 5.159 ( 8.125 19.507 -2.865) 21.325 5.741 ( -1.606 -11.143 -4.189) 12.013 5.920 ( 6.587 -7.485 12.911) 16.313 6.045 ( 7.365 -0.594 3.264) 8.078 6.343 ( -11.699 2.592 3.374) 12.449 6.475 ( -15.560 -6.780 7.593) 18.594 7.876 ( 7.888 4.868 -9.707) 13.422 8.190 ( -0.204 -2.793 -2.627) 3.840 8.954 ( 10.621 -6.300 2.778) 12.658 9.483 ( -10.770 1.789 -2.234) 11.144 9.798 ( -2.906 -1.428 -0.871) 3.353 9.928 ( -8.412 0.291 2.813) 8.874 10.539 ( 3.280 1.988 -3.155) 4.966 10.703 ( -2.837 3.853 0.151) 4.787 11.154 ( 3.584 6.392 -4.035) 8.365 11.451 ( -2.238 -1.692 -5.603) 6.266 13.104 ( 2.364 2.690 -10.803) 11.381 13.451 ( -9.612 -7.722 3.282) 12.759 14.658 ( 16.293 2.171 5.090) 17.207 14.819 ( 8.611 1.247 -4.424) 9.761 15.040 ( -8.291 7.276 13.309) 17.286 15.343 ( -6.493 -5.969 3.423) 9.461 18.615 ( 6.251 0.209 -8.399) 10.472 19.062 ( -13.298 -3.522 -11.060) 17.651 26.004 ( 0.430 -2.228 3.345) 4.041 26.129 ( -7.020 2.984 3.515) 8.399 27.793 ( 11.300 5.539 12.865) 17.997 28.190 ( 1.431 -6.034 10.245) 11.976 28.367 ( 2.850 0.064 -3.020) 4.153 28.456 ( -1.804 3.219 -1.843) 4.124 30.492 ( 19.308 12.628 -3.015) 23.267 31.666 ( -23.407 -13.103 -6.671) 27.642 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 15.346 -14.660 -13.572) 25.191 4.180 ( 7.077 -0.215 -15.679) 17.204 4.326 ( 12.433 -1.691 -0.928) 12.582 4.811 ( 3.398 -7.050 1.535) 7.975 5.264 ( 4.410 4.265 -12.638) 14.049 5.449 ( 2.968 -8.889 -5.328) 10.781 5.806 ( 12.474 -16.146 2.008) 20.502 6.256 ( 6.582 -2.468 19.268) 20.510 6.410 ( -4.853 -3.210 7.656) 9.616 6.682 ( -15.797 9.424 11.788) 21.848 7.755 ( 6.396 -0.295 -10.430) 12.238 8.070 ( -5.853 -0.280 -8.447) 10.280 8.790 ( 14.636 -16.505 2.696) 22.224 9.591 ( -2.297 9.105 0.856) 9.429 9.744 ( -5.772 -2.978 -1.361) 6.636 10.036 ( -12.971 9.842 2.183) 16.428 10.554 ( 0.632 4.922 -2.769) 5.683 10.769 ( -7.828 6.912 -0.407) 10.450 11.161 ( 2.191 5.889 -8.490) 10.562 11.294 ( -3.354 2.270 -15.575) 16.093 13.056 ( 10.430 5.831 -1.448) 12.036 13.406 ( -11.326 -12.322 9.226) 19.111 14.695 ( 16.004 -16.567 11.000) 25.526 14.831 ( 11.560 18.581 -9.241) 23.755 15.204 ( -12.279 -8.444 -1.455) 14.973 15.448 ( -10.277 8.670 17.025) 21.695 18.426 ( 6.139 -3.640 -12.569) 14.454 18.862 ( -11.410 3.982 -15.561) 19.702 26.026 ( 1.460 -2.050 3.745) 4.512 26.300 ( -8.435 8.033 7.458) 13.831 28.060 ( 10.788 1.134 7.675) 13.288 28.173 ( 6.583 -6.367 8.461) 12.469 28.402 ( -0.065 -4.452 9.501) 10.492 28.501 ( -2.273 3.664 2.766) 5.122 30.587 ( 16.387 5.512 -1.474) 17.352 31.383 ( -22.543 -2.710 -15.888) 27.712 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 18.245 -18.245 -12.610) 28.719 3.785 ( 20.306 -20.306 -14.221) 32.045 4.358 ( -4.565 4.565 -1.226) 6.571 4.540 ( 19.643 -19.643 -13.413) 30.848 5.037 ( 0.092 -0.092 -8.435) 8.436 5.383 ( 3.362 -3.362 -0.184) 4.759 5.604 ( 17.107 -17.107 2.116) 24.285 6.509 ( 2.732 -2.732 11.403) 12.040 6.520 ( 7.265 -7.265 22.584) 24.811 6.955 ( -9.056 9.056 4.746) 13.659 7.590 ( 1.574 -1.574 -7.309) 7.640 7.953 ( -3.804 3.804 -10.092) 11.436 8.662 ( 14.056 -14.056 9.296) 21.944 9.630 ( 1.477 -1.477 -3.352) 3.950 9.793 ( -7.731 7.731 4.583) 11.855 10.214 ( -13.897 13.897 -2.419) 19.801 10.540 ( -3.117 3.117 -7.973) 9.111 10.898 ( -10.609 10.609 0.681) 15.019 11.051 ( -6.336 6.336 -21.840) 23.607 11.068 ( -5.832 5.832 -11.708) 14.321 13.143 ( 7.903 -7.903 6.501) 12.929 13.461 ( 3.063 -3.063 17.657) 18.180 14.580 ( 18.667 -18.667 6.827) 27.267 14.995 ( -7.239 7.239 -12.263) 15.974 15.008 ( -5.913 5.913 -1.423) 8.483 15.855 ( -9.215 9.215 18.170) 22.360 18.167 ( 4.590 -4.590 -12.750) 14.308 18.686 ( -6.679 6.679 -17.348) 19.752 26.052 ( 2.001 -2.001 2.801) 3.982 26.547 ( -9.986 9.986 7.643) 16.057 27.948 ( 5.507 -5.507 -5.919) 9.783 28.392 ( -0.939 0.939 9.719) 9.809 28.465 ( 6.541 -6.541 8.799) 12.767 28.709 ( 1.738 -1.738 25.892) 26.009 30.597 ( 3.701 -3.701 1.062) 5.340 31.102 ( -10.020 10.020 -27.839) 31.238 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 12.568 -53.699 0.000) 55.150 2.461 ( 29.635 -14.135 0.000) 32.833 3.805 ( 46.582 -5.918 0.000) 46.957 4.480 ( -1.125 5.012 -0.000) 5.137 4.904 ( 1.090 -5.024 0.000) 5.141 5.219 ( 20.206 -10.080 0.000) 22.581 5.269 ( 5.328 -4.571 0.000) 7.019 6.657 ( 12.006 -5.981 0.000) 13.413 6.763 ( 14.536 -6.277 0.000) 15.833 7.188 ( -0.638 13.305 -0.000) 13.320 7.518 ( 0.396 0.806 -0.000) 0.898 7.854 ( 4.670 3.718 0.000) 5.969 8.837 ( 6.488 -4.271 0.000) 7.768 9.278 ( -9.576 -9.139 -0.000) 13.237 10.033 ( -5.838 0.407 -0.000) 5.852 10.278 ( -0.068 5.524 -0.000) 5.524 10.489 ( -13.549 15.139 -0.000) 20.317 10.950 ( -14.871 6.003 -0.000) 16.037 11.140 ( -11.684 8.594 -0.000) 14.505 11.217 ( -16.091 7.923 -0.000) 17.936 12.595 ( -6.224 -27.448 0.000) 28.144 14.152 ( 29.426 10.647 0.000) 31.293 14.196 ( 22.497 -16.461 0.000) 27.876 14.593 ( -32.022 -0.953 -0.000) 32.036 15.525 ( 3.857 19.210 -0.000) 19.594 16.417 ( -9.586 4.282 -0.000) 10.499 17.812 ( 6.774 -4.012 0.000) 7.873 18.489 ( -2.063 5.493 -0.000) 5.868 26.006 ( 0.330 -3.209 0.000) 3.226 26.970 ( -12.308 10.069 -0.000) 15.902 27.732 ( 2.242 -2.768 0.000) 3.562 28.257 ( 0.904 -14.197 0.000) 14.225 28.589 ( -9.318 3.884 -0.000) 10.095 29.639 ( -23.857 -8.247 -0.000) 25.243 30.154 ( 18.572 -1.548 0.000) 18.636 30.866 ( 12.013 14.110 -0.000) 18.532 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 16.898 -37.950 10.275) 42.794 2.457 ( 30.090 -8.727 18.333) 36.300 3.874 ( 47.600 -2.349 16.175) 50.328 4.559 ( -2.340 3.358 2.674) 4.889 4.819 ( 0.544 -5.090 -2.072) 5.523 5.094 ( 25.143 -5.821 -1.337) 25.843 5.234 ( 2.793 -1.324 0.344) 3.110 6.511 ( 13.037 -2.478 -16.018) 20.801 6.551 ( 12.562 -3.712 -9.887) 16.411 7.399 ( 2.656 7.298 4.671) 9.063 7.575 ( 1.463 4.878 3.826) 6.369 7.959 ( 9.202 2.921 7.047) 11.953 8.440 ( 4.978 -8.595 -27.656) 29.386 9.361 ( -13.000 -4.646 11.149) 17.745 10.178 ( -6.604 3.827 14.413) 16.309 10.354 ( -2.032 1.067 2.937) 3.727 10.745 ( -15.911 12.917 6.498) 21.500 11.050 ( -14.635 2.042 3.922) 15.288 11.170 ( -13.924 -1.397 -1.911) 14.124 11.322 ( -13.055 4.245 2.602) 13.972 12.342 ( -3.460 -12.942 7.145) 15.183 13.945 ( 21.696 -7.541 -10.230) 25.144 14.117 ( 23.992 4.390 -12.689) 27.493 14.705 ( -27.218 -0.307 9.619) 28.869 15.705 ( 3.539 9.353 -4.881) 11.128 16.336 ( -7.880 1.296 -14.039) 16.151 17.847 ( 4.969 -1.788 10.111) 11.406 18.703 ( -1.836 4.772 17.265) 18.006 25.980 ( -0.677 -1.585 1.643) 2.381 27.060 ( -13.417 7.382 -4.274) 15.899 27.703 ( 1.506 -2.549 -0.299) 2.976 28.061 ( -1.151 -8.879 -3.005) 9.444 28.607 ( -5.683 1.008 -4.549) 7.349 29.046 ( 2.778 -5.143 -41.872) 42.278 30.310 ( -0.401 -2.598 7.373) 7.827 31.286 ( 6.174 9.971 28.993) 31.275 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 15.295 -0.000 22.555) 27.252 2.750 ( 26.408 -0.000 26.504) 37.414 4.203 ( 43.198 -0.000 26.988) 50.935 4.649 ( -4.582 0.000 5.345) 7.040 4.699 ( -2.470 0.000 -7.677) 8.065 5.038 ( 25.407 -0.000 -0.167) 25.408 5.235 ( 4.243 -0.000 0.721) 4.304 6.175 ( 10.031 0.000 -20.961) 23.237 6.399 ( 13.282 -0.000 -8.649) 15.850 7.502 ( 2.271 -0.000 4.089) 4.677 7.716 ( 3.201 -0.000 4.386) 5.430 7.956 ( 1.195 0.000 -22.018) 22.050 8.138 ( 13.900 -0.000 12.011) 18.370 9.410 ( -12.043 0.000 1.435) 12.128 10.340 ( -0.295 0.000 -1.803) 1.827 10.479 ( -13.221 0.000 12.970) 18.520 10.970 ( -17.174 0.000 5.306) 17.975 11.009 ( -15.931 0.000 -5.284) 16.785 11.216 ( -13.494 0.000 9.559) 16.537 11.413 ( -7.854 0.000 4.973) 9.296 12.462 ( -1.565 -0.000 18.036) 18.104 13.700 ( 21.906 -0.000 -14.455) 26.245 13.978 ( 23.098 -0.000 -8.077) 24.470 14.802 ( -26.277 0.000 3.596) 26.522 15.619 ( 3.408 0.000 -12.872) 13.316 16.089 ( -5.359 0.000 -18.308) 19.076 18.045 ( -0.523 -0.000 15.854) 15.863 19.064 ( -1.884 -0.000 22.898) 22.975 26.015 ( -1.022 -0.000 3.709) 3.847 27.037 ( -14.401 0.000 -5.779) 15.518 27.644 ( 1.194 0.000 -3.150) 3.369 27.893 ( 6.223 0.000 -17.513) 18.585 28.299 ( 12.529 0.000 -21.758) 25.107 28.697 ( -4.203 0.000 -5.177) 6.669 30.303 ( -3.406 0.000 -3.776) 5.085 31.829 ( -3.105 -0.000 29.442) 29.605 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 0.516 0.516 -11.025) 11.049 3.965 ( -1.079 -1.079 -9.841) 9.959 4.667 ( 8.118 8.118 -2.063) 11.665 4.775 ( 1.354 1.354 -5.943) 6.244 5.265 ( 10.870 10.870 -4.610) 16.049 5.541 ( -7.896 -7.896 -11.570) 16.079 6.136 ( 1.090 1.090 5.577) 5.786 6.231 ( -5.606 -5.606 3.985) 8.874 6.353 ( 3.212 3.212 22.126) 22.587 6.497 ( -7.229 -7.229 16.731) 19.607 7.821 ( 6.522 6.522 -10.943) 14.312 8.010 ( -6.518 -6.518 -11.187) 14.495 9.186 ( 4.268 4.268 5.167) 7.945 9.300 ( -4.181 -4.181 -0.162) 5.915 9.795 ( -0.258 -0.258 0.972) 1.038 9.844 ( -3.835 -3.835 -0.542) 5.450 10.548 ( 3.965 3.965 -2.693) 6.221 10.636 ( -2.141 -2.141 -2.765) 4.100 11.135 ( 6.051 6.051 -11.278) 14.157 11.256 ( -2.463 -2.463 -15.458) 15.845 13.092 ( 9.434 9.434 1.395) 13.414 13.409 ( -12.865 -12.865 11.268) 21.401 14.779 ( 16.421 16.421 -11.386) 25.864 15.091 ( -2.361 -2.361 8.417) 9.056 15.110 ( 0.244 0.244 15.745) 15.749 15.217 ( -10.696 -10.696 0.399) 15.131 18.541 ( 4.700 4.700 -12.197) 13.890 18.708 ( -7.267 -7.267 -14.672) 17.913 26.108 ( 0.480 0.480 6.379) 6.415 26.128 ( -0.913 -0.913 5.579) 5.727 28.133 ( 7.479 7.479 10.101) 14.625 28.287 ( -3.296 -3.296 -0.191) 4.665 28.381 ( 3.746 3.746 3.346) 6.265 28.483 ( -3.081 -3.081 13.982) 14.645 30.683 ( 18.032 18.032 -7.007) 26.447 31.224 ( -20.000 -20.000 -10.634) 30.218 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 14.157 -14.157 -10.845) 22.769 3.928 ( -8.100 8.100 -11.543) 16.263 4.524 ( 14.098 -14.098 -2.468) 20.089 4.825 ( -4.511 4.511 -0.600) 6.408 5.124 ( 10.646 -10.646 -14.100) 20.628 5.369 ( -4.892 4.892 -5.652) 8.934 6.050 ( 14.867 -14.867 4.368) 21.474 6.409 ( -10.034 10.034 6.593) 15.647 6.688 ( 4.605 -4.605 23.824) 24.698 6.784 ( -3.233 3.233 19.023) 19.565 7.669 ( 4.227 -4.227 -11.061) 12.573 7.813 ( -5.705 5.705 -11.553) 14.091 9.079 ( 15.724 -15.724 5.879) 23.001 9.501 ( -13.742 13.742 3.832) 19.809 9.726 ( 4.955 -4.955 -1.728) 7.217 9.900 ( -8.189 8.189 -0.431) 11.589 10.512 ( 1.522 -1.522 -4.281) 4.792 10.638 ( -7.466 7.466 -2.115) 10.768 10.937 ( -1.788 1.788 -22.994) 23.133 10.949 ( -2.547 2.547 -19.141) 19.477 13.348 ( 6.502 -6.502 13.812) 16.593 13.476 ( -2.225 2.225 18.846) 19.107 14.830 ( -0.898 0.898 -13.762) 13.821 14.869 ( -3.664 3.664 -8.632) 10.068 15.116 ( 16.288 -16.288 10.769) 25.427 15.538 ( -13.567 13.567 14.778) 24.219 18.318 ( 6.108 -6.108 -12.689) 15.350 18.498 ( -6.782 6.782 -14.620) 17.485 26.141 ( 4.509 -4.509 5.162) 8.204 26.305 ( -7.361 7.361 6.874) 12.475 28.112 ( 6.210 -6.210 -5.741) 10.492 28.281 ( -5.688 5.688 -2.758) 8.504 28.633 ( 5.127 -5.127 16.266) 17.809 28.727 ( -1.321 1.321 24.967) 25.036 30.712 ( 4.735 -4.735 -6.855) 9.583 30.870 ( -6.877 6.877 -17.386) 19.921 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 23.178 -13.033 0.000) 26.591 3.233 ( 9.511 -44.999 0.000) 45.994 4.199 ( -0.094 0.749 -0.000) 0.755 4.615 ( 28.704 -2.730 0.000) 28.834 4.917 ( -5.889 0.059 -0.000) 5.889 5.277 ( -7.188 -5.329 -0.000) 8.948 5.742 ( 25.120 -11.756 0.000) 27.735 6.927 ( 12.197 -8.396 0.000) 14.807 6.951 ( -3.231 16.969 -0.000) 17.274 7.051 ( 14.580 -5.636 0.000) 15.632 7.492 ( -1.479 2.371 -0.000) 2.795 7.790 ( -1.590 8.865 -0.000) 9.006 9.033 ( 10.645 -7.062 0.000) 12.775 9.354 ( -1.918 -13.261 0.000) 13.399 9.947 ( -3.918 3.497 -0.000) 5.252 10.092 ( -13.168 15.379 -0.000) 20.246 10.226 ( 1.157 1.361 -0.000) 1.786 10.690 ( -10.037 5.633 -0.000) 11.510 10.830 ( -10.548 12.674 -0.000) 16.489 10.881 ( -14.507 8.698 -0.000) 16.915 12.923 ( -5.543 -31.319 0.000) 31.805 14.155 ( -33.475 -1.652 -0.000) 33.515 14.421 ( 29.577 9.257 0.000) 30.991 14.754 ( 21.570 -18.960 0.000) 28.718 15.283 ( 4.727 23.792 -0.000) 24.258 16.163 ( -13.489 9.435 -0.000) 16.461 17.960 ( 6.287 -4.284 0.000) 7.608 18.374 ( -3.014 6.017 -0.000) 6.730 26.080 ( 2.028 -5.250 0.000) 5.628 26.669 ( -11.414 9.169 -0.000) 14.640 27.829 ( 3.718 -5.408 0.000) 6.563 28.390 ( -10.085 5.067 -0.000) 11.286 28.498 ( 1.306 -18.167 0.000) 18.214 29.391 ( -24.289 -4.356 -0.000) 24.676 30.412 ( 17.652 0.899 0.000) 17.675 30.825 ( 10.332 14.360 -0.000) 17.691 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 14.049 -45.005 3.876) 47.306 2.983 ( 23.200 -13.306 15.010) 30.669 4.303 ( 4.316 3.936 8.791) 10.554 4.629 ( 25.491 -0.771 4.240) 25.853 4.885 ( -2.669 -5.007 -0.561) 5.702 5.214 ( -8.578 -3.923 1.066) 9.492 5.583 ( 27.521 -8.785 -1.981) 28.957 6.730 ( 12.125 -2.830 -16.300) 20.511 6.792 ( 12.501 -5.113 -13.677) 19.222 7.261 ( 2.156 16.266 3.611) 16.801 7.538 ( 0.017 2.186 1.900) 2.897 7.979 ( 3.582 7.239 8.191) 11.503 8.680 ( 8.409 -12.677 -19.347) 24.611 9.345 ( -3.061 -8.926 10.455) 14.084 10.029 ( -5.485 6.867 4.458) 9.854 10.283 ( -4.966 3.677 2.232) 6.570 10.388 ( -10.431 9.257 11.710) 18.211 10.821 ( -11.041 3.786 6.095) 13.168 10.929 ( -15.519 5.103 -1.508) 16.406 11.070 ( -10.502 8.629 6.074) 14.888 12.537 ( -4.329 -22.131 2.789) 22.722 14.089 ( -15.646 0.658 -6.733) 17.045 14.465 ( 10.640 -10.487 -3.491) 15.342 14.529 ( 20.575 1.805 -3.440) 20.939 15.582 ( 4.800 15.967 -0.672) 16.686 16.164 ( -11.072 4.959 -12.199) 17.204 17.960 ( 5.756 -3.319 7.001) 9.652 18.589 ( -2.223 7.189 15.782) 17.484 26.013 ( 0.334 -3.695 0.274) 3.720 26.759 ( -12.874 8.840 -4.531) 16.261 27.781 ( 2.531 -4.736 1.879) 5.689 28.206 ( -1.693 -13.895 -5.901) 15.191 28.476 ( -8.760 2.063 2.797) 9.424 29.071 ( -10.453 -6.281 -27.042) 29.664 30.389 ( 7.082 -0.832 -3.825) 8.092 31.240 ( 11.228 13.996 23.575) 29.626 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 13.914 -29.352 16.270) 36.329 3.136 ( 22.387 -5.833 21.830) 31.808 4.514 ( -3.713 6.422 5.089) 8.996 4.693 ( 10.379 -1.854 -1.040) 10.595 4.806 ( 17.927 -8.268 13.354) 23.834 5.211 ( -7.887 -0.355 2.042) 8.155 5.446 ( 26.886 -5.136 -3.009) 27.537 6.343 ( 10.310 -3.046 -23.729) 26.050 6.594 ( 13.716 -1.064 -9.247) 16.576 7.490 ( 2.555 11.213 0.375) 11.507 7.618 ( -0.138 8.295 -0.641) 8.321 8.063 ( 0.288 -8.246 -9.987) 12.954 8.364 ( 14.897 -4.639 8.022) 17.544 9.349 ( -1.550 -4.661 3.475) 6.016 10.215 ( -5.999 9.210 2.367) 11.244 10.352 ( -8.443 -0.839 4.575) 9.640 10.656 ( -14.482 7.378 4.981) 16.999 10.833 ( -16.933 -4.018 -1.880) 17.504 11.055 ( -9.649 0.352 11.787) 15.237 11.266 ( -7.738 5.367 7.054) 11.766 12.487 ( -1.787 -6.681 16.522) 17.912 13.951 ( 9.051 0.618 -12.371) 15.341 14.263 ( 9.092 -6.442 -4.831) 12.145 14.519 ( -4.359 1.448 -2.058) 5.034 15.638 ( 3.693 4.373 -10.721) 12.153 15.984 ( -7.520 2.451 -16.176) 18.006 18.077 ( 3.155 -1.563 12.149) 12.649 18.994 ( -1.855 5.918 22.659) 23.493 26.005 ( -0.739 -0.680 2.769) 2.946 26.783 ( -14.177 6.533 -6.082) 16.753 27.710 ( 1.498 -6.122 -2.035) 6.623 27.974 ( 0.724 -5.457 -7.840) 9.579 28.448 ( 2.390 -3.887 -15.637) 16.289 28.624 ( -5.358 -0.245 -9.769) 11.144 30.290 ( -0.264 -1.555 -6.413) 6.604 31.786 ( 5.545 8.428 24.779) 26.754 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 11.381 -0.000 21.077) 23.954 3.462 ( 19.135 -0.000 24.924) 31.422 4.499 ( -4.297 0.000 -11.504) 12.280 4.622 ( -3.359 0.000 0.386) 3.381 5.100 ( 25.711 -0.000 22.020) 33.852 5.258 ( -6.801 0.000 5.823) 8.953 5.363 ( 23.213 -0.000 -2.513) 23.349 5.987 ( 7.406 0.000 -19.264) 20.638 6.474 ( 12.983 -0.000 -5.381) 14.054 7.593 ( 2.669 -0.000 3.153) 4.131 7.610 ( -5.869 0.000 -18.798) 19.693 7.809 ( 3.159 -0.000 1.994) 3.735 8.545 ( 15.692 -0.000 12.568) 20.105 9.354 ( 0.026 -0.000 2.027) 2.027 10.293 ( -4.235 0.000 -0.980) 4.347 10.418 ( -10.603 0.000 4.889) 11.676 10.651 ( -16.251 0.000 -8.745) 18.454 10.810 ( -13.191 0.000 0.754) 13.213 11.241 ( -8.533 0.000 11.302) 14.161 11.410 ( -5.595 0.000 5.815) 8.069 12.777 ( -0.960 -0.000 24.499) 24.518 13.771 ( 15.361 -0.000 -10.274) 18.480 14.121 ( 12.015 -0.000 -8.458) 14.693 14.543 ( -15.766 0.000 4.863) 16.499 15.432 ( 3.208 0.000 -17.379) 17.673 15.758 ( -4.145 0.000 -15.948) 16.478 18.262 ( 0.474 -0.000 12.751) 12.760 19.371 ( -1.570 -0.000 19.775) 19.837 26.062 ( -1.051 -0.000 4.170) 4.300 26.754 ( -14.582 0.000 -3.925) 15.102 27.609 ( 1.400 0.000 -3.724) 3.978 27.673 ( 10.580 0.000 -25.397) 27.512 28.234 ( 2.410 -0.000 -2.142) 3.225 28.598 ( -3.945 0.000 -0.926) 4.052 30.171 ( -3.022 0.000 -7.007) 7.631 32.180 ( 1.516 -0.000 18.494) 18.556 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 16.340 -10.285 0.000) 19.308 3.689 ( -2.265 -3.324 0.000) 4.023 4.272 ( 1.248 -23.675 0.000) 23.708 4.691 ( -21.951 4.543 -0.000) 22.416 5.017 ( 16.730 -5.439 0.000) 17.592 5.217 ( -6.975 0.820 -0.000) 7.023 6.225 ( 22.744 -9.509 0.000) 24.652 6.629 ( -6.351 19.822 -0.000) 20.814 7.205 ( 9.758 -8.377 0.000) 12.861 7.319 ( 14.272 -4.741 0.000) 15.039 7.400 ( -4.413 5.553 -0.000) 7.093 7.583 ( -5.291 12.927 -0.000) 13.968 9.326 ( 14.396 -9.792 0.000) 17.411 9.558 ( 2.209 -12.060 0.000) 12.261 9.707 ( -9.971 14.605 -0.000) 17.684 9.801 ( -8.072 5.746 -0.000) 9.908 10.301 ( 6.277 -4.652 0.000) 7.813 10.509 ( -7.274 9.369 -0.000) 11.861 10.565 ( -3.759 2.885 -0.000) 4.738 10.620 ( -7.593 5.129 -0.000) 9.163 13.303 ( -4.143 -33.002 0.000) 33.261 13.718 ( -33.682 -2.734 -0.000) 33.793 14.711 ( 28.707 7.432 0.000) 29.654 15.005 ( 5.883 26.780 -0.000) 27.419 15.300 ( 18.853 -18.906 0.000) 26.700 15.784 ( -16.882 14.649 -0.000) 22.352 18.104 ( 6.075 -4.119 0.000) 7.340 18.243 ( -3.704 6.076 -0.000) 7.116 26.212 ( 4.359 -7.530 0.000) 8.701 26.410 ( -9.711 6.938 -0.000) 11.935 27.983 ( 4.948 -7.910 0.000) 9.331 28.179 ( -9.603 5.460 -0.000) 11.046 28.787 ( 0.810 -21.155 0.000) 21.170 29.096 ( -23.255 -1.044 -0.000) 23.279 30.612 ( 16.194 4.116 0.000) 16.709 30.747 ( 7.468 14.933 -0.000) 16.697 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 16.251 -24.754 1.257) 29.638 3.479 ( 10.382 -25.458 12.486) 30.195 4.181 ( -5.627 4.092 3.892) 7.973 4.754 ( -19.403 2.904 0.905) 19.640 4.993 ( 15.375 -2.962 3.768) 16.105 5.190 ( -5.078 -8.220 4.077) 10.487 6.076 ( 25.967 -7.968 -3.486) 27.385 6.814 ( 2.122 12.160 -12.507) 17.573 7.022 ( 10.975 -4.028 -12.342) 17.000 7.118 ( 5.855 6.238 -11.251) 14.135 7.499 ( -1.182 2.454 3.829) 4.699 7.884 ( 1.721 10.027 12.247) 15.921 9.014 ( 12.320 -14.180 -13.172) 22.943 9.496 ( 3.750 -9.673 6.779) 12.393 9.797 ( -9.160 11.149 -1.116) 14.473 10.049 ( -7.176 11.339 5.962) 14.684 10.315 ( -0.469 -3.673 8.201) 8.998 10.635 ( -11.626 5.027 -0.677) 12.685 10.675 ( -5.783 3.596 10.745) 12.722 10.814 ( -7.177 9.132 9.952) 15.295 12.809 ( -5.391 -25.503 -4.490) 26.450 13.757 ( -29.303 -4.406 8.504) 30.829 14.648 ( 20.466 8.491 -18.620) 28.942 15.005 ( 20.625 -15.460 -5.236) 26.302 15.422 ( 7.649 18.205 5.792) 20.578 15.884 ( -14.198 10.324 -9.627) 20.021 18.088 ( 4.938 -3.996 5.461) 8.377 18.454 ( -1.536 7.885 14.743) 16.790 26.098 ( 2.249 -6.240 -1.417) 6.782 26.477 ( -11.267 7.316 -4.061) 14.035 27.904 ( 3.298 -7.096 2.866) 8.333 28.256 ( -8.846 1.587 0.549) 9.004 28.449 ( -3.199 -15.152 -5.503) 16.435 28.955 ( -16.861 -5.511 -12.728) 21.832 30.495 ( 9.000 2.728 -13.199) 16.207 31.210 ( 13.669 15.234 22.340) 30.298 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 11.868 -40.013 10.032) 42.925 3.510 ( 16.160 -9.040 17.502) 25.479 4.342 ( -6.260 7.815 3.005) 10.454 4.753 ( -9.241 -3.500 -2.775) 10.263 5.005 ( -9.641 -2.049 2.111) 10.080 5.205 ( 10.146 -7.103 14.915) 19.387 5.902 ( 26.425 -6.376 -6.013) 27.840 6.519 ( 8.282 -2.876 -25.226) 26.706 6.800 ( 14.279 0.287 -11.534) 18.358 7.235 ( -1.720 20.883 -7.482) 22.249 7.583 ( 0.427 1.279 3.779) 4.012 8.126 ( 2.471 1.575 3.232) 4.363 8.683 ( 13.965 -11.759 -0.500) 18.264 9.462 ( 4.935 -5.664 2.922) 8.060 9.968 ( -8.760 10.360 2.082) 13.726 10.229 ( -5.083 5.424 3.258) 8.117 10.407 ( -9.829 2.592 2.545) 10.479 10.665 ( -13.305 -2.189 1.554) 13.573 10.927 ( -6.883 2.396 15.499) 17.127 11.081 ( -5.326 6.123 10.433) 13.217 12.587 ( -2.522 -11.440 10.671) 15.847 13.830 ( -21.879 -3.229 7.768) 23.441 14.407 ( 9.807 0.484 -19.784) 22.086 14.750 ( 21.795 -6.090 -8.262) 24.091 15.609 ( 4.800 7.798 -6.106) 11.006 15.806 ( -9.559 6.349 -13.746) 17.906 18.160 ( 3.516 -3.185 10.230) 11.277 18.868 ( -0.311 9.227 21.838) 23.709 26.024 ( 0.487 -2.731 0.520) 2.822 26.499 ( -12.199 7.168 -5.711) 15.258 27.834 ( 1.271 -8.334 -0.497) 8.445 28.071 ( -0.905 -8.485 -7.399) 11.294 28.418 ( -8.320 0.270 4.295) 9.367 28.601 ( -6.119 -6.550 -18.998) 21.007 30.324 ( 2.779 -0.336 -11.159) 11.505 31.753 ( 11.247 13.123 21.473) 27.564 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 10.299 -24.398 16.639) 31.276 3.722 ( 14.770 -2.986 20.492) 25.436 4.411 ( -5.519 3.223 -6.736) 9.286 4.604 ( -4.752 -5.951 -2.983) 8.179 5.039 ( -22.423 0.324 3.373) 22.678 5.418 ( 14.785 -2.675 19.722) 24.793 5.726 ( 23.886 -4.210 -7.097) 25.271 6.106 ( 6.696 -2.283 -22.764) 23.838 6.663 ( 15.030 0.915 -7.737) 16.929 7.363 ( -3.751 17.763 -12.839) 22.236 7.643 ( 1.521 -0.234 2.713) 3.120 7.978 ( 3.497 -11.899 -4.119) 13.068 8.738 ( 12.631 0.874 10.198) 16.258 9.428 ( 5.558 -3.953 1.465) 6.976 10.115 ( -11.215 7.067 0.804) 13.280 10.332 ( -2.613 -0.194 6.255) 6.782 10.433 ( -9.748 5.323 -5.640) 12.457 10.644 ( -13.521 -3.191 1.699) 13.996 11.166 ( -5.570 -1.381 13.464) 14.636 11.298 ( -4.274 4.490 8.024) 10.140 12.776 ( -1.040 -1.671 22.861) 22.946 13.882 ( -3.747 1.002 -1.153) 4.047 14.131 ( -5.614 -4.913 -9.234) 11.871 14.585 ( 16.354 -1.283 -5.934) 17.445 15.469 ( 2.270 1.026 -17.134) 17.314 15.676 ( -4.487 2.738 -12.577) 13.631 18.297 ( 2.421 -1.615 11.401) 11.766 19.309 ( -0.387 6.307 19.967) 20.943 26.042 ( -0.576 0.596 3.299) 3.402 26.515 ( -12.759 5.552 -3.441) 14.334 27.652 ( 0.957 -3.680 -9.067) 9.832 27.844 ( 3.785 -9.136 -12.230) 15.727 28.274 ( -0.638 -3.600 -5.446) 6.559 28.518 ( -6.264 1.214 2.456) 6.837 30.153 ( -1.327 -1.472 -9.182) 9.393 32.191 ( 7.874 7.656 16.251) 19.614 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 7.327 -0.000 14.235) 16.010 4.016 ( 11.250 -0.000 18.416) 21.580 4.263 ( -4.857 0.000 -9.657) 10.809 4.544 ( -5.366 0.000 -2.332) 5.850 5.097 ( -20.486 0.000 3.584) 20.797 5.583 ( 18.443 -0.000 -7.136) 19.775 5.676 ( 9.759 -0.000 14.792) 17.721 5.787 ( 2.812 0.000 -16.309) 16.550 6.578 ( 11.086 -0.000 -4.782) 12.073 7.281 ( -3.268 0.000 -12.617) 13.034 7.663 ( 2.396 -0.000 1.239) 2.698 7.866 ( 3.117 -0.000 -0.125) 3.120 8.870 ( 7.130 -0.000 4.884) 8.643 9.413 ( 2.851 -0.000 0.716) 2.940 10.190 ( -8.398 0.000 3.004) 8.919 10.395 ( -5.052 0.000 -4.798) 6.967 10.426 ( 0.995 -0.000 6.163) 6.243 10.638 ( -11.898 0.000 0.571) 11.911 11.294 ( -2.194 -0.000 5.614) 6.027 11.434 ( -2.878 -0.000 5.198) 5.941 13.143 ( -0.842 -0.000 23.701) 23.716 13.792 ( 6.556 -0.000 -7.430) 9.909 14.020 ( -7.317 0.000 -4.700) 8.696 14.574 ( 3.609 -0.000 6.250) 7.217 15.190 ( 2.216 0.000 -18.613) 18.744 15.495 ( -2.127 0.000 -12.566) 12.744 18.443 ( 1.890 -0.000 8.664) 8.868 19.611 ( -0.312 -0.000 13.112) 13.116 26.109 ( -0.768 -0.000 3.603) 3.684 26.544 ( -12.270 0.000 1.576) 12.371 27.441 ( 8.148 0.000 -21.379) 22.879 27.572 ( 1.228 0.000 -3.447) 3.659 28.263 ( -1.011 -0.000 3.857) 3.987 28.543 ( -2.931 0.000 -0.525) 2.977 30.026 ( -3.513 0.000 -5.359) 6.408 32.443 ( 5.774 -0.000 9.508) 11.124 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 1.646 1.646 5.399) 5.879 3.692 ( -0.724 -0.724 6.569) 6.648 4.279 ( -16.431 -16.431 1.310) 23.274 4.372 ( -9.825 -9.825 3.881) 14.427 5.117 ( -1.454 -1.454 -1.402) 2.489 5.231 ( -0.862 -0.862 8.831) 8.915 6.467 ( 8.082 8.082 -7.693) 13.778 6.559 ( 9.889 9.889 -1.656) 14.083 7.149 ( 3.450 3.450 -26.233) 26.683 7.153 ( 3.470 3.470 -13.312) 14.187 7.459 ( -0.125 -0.125 7.452) 7.454 7.811 ( 7.236 7.236 16.262) 19.214 9.370 ( -0.077 -0.077 -5.590) 5.591 9.414 ( -1.389 -1.389 -15.183) 15.310 9.751 ( 1.587 1.587 14.189) 14.366 9.836 ( 0.767 0.767 5.835) 5.935 10.402 ( -2.668 -2.668 -2.054) 4.297 10.448 ( -1.402 -1.402 7.196) 7.465 10.631 ( -0.050 -0.050 8.561) 8.561 10.676 ( 1.441 1.441 15.904) 16.034 12.996 ( -15.661 -15.661 -13.990) 26.197 13.535 ( -18.235 -18.235 18.357) 31.655 14.746 ( 15.104 15.104 -25.093) 32.953 15.321 ( 14.144 14.144 9.393) 22.099 15.486 ( -0.560 -0.560 -5.714) 5.768 15.499 ( 0.391 0.391 -6.669) 6.692 18.170 ( -0.690 -0.690 3.533) 3.665 18.368 ( 4.263 4.263 15.805) 16.915 26.247 ( -2.070 -2.070 -3.320) 4.426 26.256 ( -2.067 -2.067 -2.616) 3.923 28.035 ( -3.284 -3.284 0.734) 4.702 28.114 ( -1.769 -1.769 6.053) 6.550 28.583 ( -10.867 -10.867 -15.359) 21.728 28.834 ( -11.359 -11.359 -1.954) 16.183 30.541 ( 6.617 6.617 -16.718) 19.159 31.198 ( 14.948 14.948 22.527) 30.893 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 10.802 -31.535 6.514) 33.964 3.804 ( 4.571 -8.056 14.131) 16.896 4.142 ( -10.864 0.536 4.750) 11.869 4.445 ( -25.099 3.781 2.419) 25.498 5.008 ( -3.990 -7.222 -5.626) 9.987 5.374 ( 0.650 -5.157 16.090) 16.909 6.317 ( 20.804 -3.222 -10.021) 23.315 6.631 ( 7.492 2.910 -18.898) 20.537 6.851 ( 1.059 15.520 -18.451) 24.133 7.028 ( 8.005 6.630 -9.400) 14.014 7.563 ( -0.571 0.894 5.375) 5.479 8.117 ( 5.267 6.311 8.834) 12.067 9.048 ( 10.344 -14.372 -7.110) 19.082 9.465 ( -7.023 8.221 0.880) 10.848 9.842 ( 4.549 -1.631 3.007) 5.692 10.059 ( -1.475 11.020 5.885) 12.580 10.325 ( -5.077 -3.958 0.732) 6.479 10.535 ( -8.671 -2.215 5.034) 10.268 10.807 ( -3.121 2.680 11.511) 12.224 10.986 ( -1.273 1.590 18.590) 18.702 12.702 ( -5.313 -11.111 3.083) 12.696 13.606 ( -21.900 -11.604 16.925) 30.012 14.503 ( 12.195 8.442 -27.070) 30.867 15.151 ( 16.992 -11.214 -10.165) 22.755 15.510 ( -7.812 11.650 -12.398) 18.721 15.600 ( 3.660 8.542 -0.524) 9.308 18.241 ( 0.678 -3.144 9.277) 9.818 18.758 ( 3.977 8.981 21.332) 23.485 26.103 ( 2.572 -5.732 -2.209) 6.659 26.263 ( -9.143 5.133 -4.212) 11.300 27.953 ( -1.439 -7.580 -2.474) 8.102 28.170 ( -1.203 -7.461 -2.706) 8.027 28.286 ( -9.276 -0.525 0.818) 9.327 28.596 ( -10.142 -9.365 -10.541) 17.368 30.360 ( 3.410 1.908 -14.446) 14.965 31.735 ( 14.302 14.929 19.718) 28.570 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 8.734 -36.436 11.829) 39.291 3.942 ( 8.480 -4.790 15.145) 18.006 4.255 ( -8.275 6.218 -0.612) 10.369 4.518 ( -24.331 -1.027 4.735) 24.809 4.774 ( -12.227 -7.935 -8.260) 16.754 5.577 ( 1.701 -4.339 18.083) 18.674 6.100 ( 18.166 -3.537 -11.966) 22.038 6.236 ( 9.166 -3.418 -24.783) 26.644 6.811 ( 10.110 8.836 -13.199) 18.828 7.089 ( 2.914 15.769 -6.257) 17.213 7.648 ( -0.014 0.899 3.873) 3.976 8.167 ( 4.244 -6.199 -2.932) 8.065 8.867 ( 4.111 -2.821 -0.078) 4.987 9.575 ( 7.281 -1.532 3.456) 8.204 9.881 ( -7.158 4.239 2.847) 8.793 10.210 ( -5.360 9.253 -4.524) 11.611 10.366 ( 2.693 -1.830 10.011) 10.528 10.528 ( -10.909 -4.499 1.612) 11.909 11.052 ( -4.283 6.502 11.391) 13.798 11.241 ( -1.455 -1.334 14.088) 14.226 12.790 ( -1.407 -2.538 18.642) 18.867 13.719 ( -19.131 -7.128 14.434) 25.003 14.188 ( 6.014 1.453 -21.824) 22.685 14.877 ( 17.136 -5.435 -10.079) 20.611 15.411 ( -4.223 7.145 -16.893) 18.822 15.605 ( 0.778 2.265 -8.098) 8.445 18.358 ( 1.418 -2.701 11.019) 11.434 19.211 ( 3.000 9.376 19.617) 21.949 26.045 ( 0.864 -1.114 0.946) 1.698 26.282 ( -8.980 5.409 -2.270) 10.726 27.714 ( -1.811 -5.459 -13.389) 14.572 28.021 ( 1.194 -11.149 -1.383) 11.297 28.300 ( -6.661 -6.379 -6.208) 11.117 28.404 ( -5.964 1.713 4.325) 7.564 30.163 ( -0.010 -0.967 -11.691) 11.730 32.190 ( 12.096 12.275 14.593) 22.582 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 6.217 -22.127 10.286) 25.180 4.087 ( 2.059 2.778 3.020) 4.592 4.259 ( -4.009 -5.046 1.208) 6.557 4.481 ( -6.734 -3.152 -2.801) 7.945 4.722 ( -29.175 0.441 7.871) 30.221 5.759 ( 0.853 -2.098 9.916) 10.171 5.827 ( 1.772 -1.586 -21.788) 21.918 5.883 ( 18.208 -4.134 -10.482) 21.413 6.698 ( 7.117 3.816 -13.186) 15.462 7.197 ( 5.188 10.298 -4.058) 12.225 7.696 ( 1.107 -0.202 1.580) 1.939 7.984 ( 4.719 -7.698 -3.777) 9.787 8.868 ( -4.946 2.541 -3.068) 6.351 9.507 ( 5.393 -6.082 -1.624) 8.289 10.078 ( -1.000 5.408 11.692) 12.921 10.263 ( -5.987 8.227 -3.659) 10.813 10.464 ( -5.649 -2.819 3.781) 7.359 10.540 ( 3.557 -1.334 8.061) 8.912 11.279 ( -1.966 1.811 8.634) 9.038 11.387 ( -0.565 0.240 7.464) 7.489 13.116 ( -0.811 2.033 21.994) 22.103 13.810 ( -6.158 0.493 0.282) 6.184 13.926 ( -6.765 -6.297 -5.478) 10.744 14.716 ( 12.740 -1.402 -3.817) 13.373 15.202 ( 0.263 2.267 -18.497) 18.637 15.464 ( -1.761 -0.268 -10.250) 10.403 18.486 ( 2.453 -1.342 8.905) 9.334 19.574 ( 1.695 5.912 13.123) 14.493 26.086 ( -0.262 1.756 2.927) 3.423 26.354 ( -9.168 4.115 2.941) 10.471 27.467 ( 1.550 1.945 -15.405) 15.605 27.742 ( 2.188 -15.043 -6.985) 16.729 28.243 ( -3.626 -1.411 3.506) 5.237 28.483 ( -4.315 0.904 2.229) 4.940 29.997 ( -2.677 -1.727 -6.846) 7.551 32.504 ( 10.203 7.137 8.404) 15.022 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 1.691 -0.000 -1.237) 2.096 4.129 ( -2.648 0.000 0.740) 2.749 4.132 ( -12.272 0.000 -9.670) 15.625 4.514 ( -0.961 -0.000 7.002) 7.067 4.874 ( -20.417 0.000 9.874) 22.679 5.506 ( -0.740 0.000 -17.857) 17.872 5.707 ( 10.291 -0.000 -7.194) 12.557 5.815 ( -3.890 0.000 -2.092) 4.417 6.526 ( -1.259 0.000 -11.958) 12.024 7.251 ( 10.145 -0.000 2.063) 10.353 7.694 ( 1.759 -0.000 -0.908) 1.979 7.889 ( 2.747 -0.000 -2.421) 3.661 8.800 ( -11.503 0.000 -7.822) 13.910 9.440 ( 3.038 -0.000 -0.990) 3.196 10.295 ( -3.148 0.000 -1.290) 3.402 10.323 ( 7.604 -0.000 13.940) 15.879 10.486 ( -8.166 0.000 4.078) 9.128 10.664 ( 9.735 -0.000 8.100) 12.665 11.367 ( 2.800 -0.000 3.837) 4.750 11.489 ( 0.201 -0.000 4.322) 4.327 13.426 ( -0.330 -0.000 12.462) 12.466 13.723 ( -2.640 0.000 -4.888) 5.556 13.852 ( -7.175 0.000 -4.447) 8.441 14.734 ( 4.008 -0.000 6.197) 7.380 14.962 ( 0.310 0.000 -11.874) 11.878 15.334 ( -0.253 0.000 -5.317) 5.323 18.577 ( 3.815 -0.000 3.720) 5.328 19.755 ( 1.099 -0.000 4.754) 4.879 26.147 ( -0.223 -0.000 2.111) 2.123 26.476 ( -9.629 0.000 9.170) 13.296 27.260 ( 6.292 0.000 -14.959) 16.228 27.541 ( 0.709 0.000 -2.292) 2.399 28.304 ( -2.964 -0.000 4.779) 5.623 28.491 ( -2.467 0.000 -1.665) 2.976 29.931 ( -3.957 0.000 0.247) 3.965 32.633 ( 9.336 -0.000 1.681) 9.486 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( -13.887 -13.887 11.094) 22.556 3.829 ( -10.059 -10.059 5.291) 15.177 4.191 ( -7.956 -7.956 22.037) 24.743 4.227 ( -0.703 -0.703 -7.305) 7.373 4.780 ( -8.709 -8.709 -11.830) 17.078 5.613 ( -4.374 -4.374 18.148) 19.173 6.213 ( 1.790 1.790 -21.569) 21.717 6.470 ( 7.936 7.936 -22.592) 25.226 6.666 ( 8.581 8.581 -10.167) 15.831 7.061 ( 11.616 11.616 -4.331) 16.989 7.635 ( -0.014 -0.014 4.513) 4.513 8.242 ( 1.876 1.876 -0.111) 2.656 8.921 ( -5.484 -5.484 -10.378) 12.956 9.605 ( 6.502 6.502 14.705) 17.343 9.860 ( -0.468 -0.468 -2.353) 2.445 10.070 ( 0.596 0.596 -5.432) 5.497 10.424 ( 2.928 2.928 13.248) 13.880 10.470 ( -7.378 -7.378 1.403) 10.528 10.960 ( 2.226 2.226 10.446) 10.910 11.245 ( -1.562 -1.562 16.076) 16.227 12.799 ( -2.187 -2.187 15.940) 16.237 13.629 ( -14.876 -14.876 18.392) 27.943 14.221 ( 5.268 5.268 -24.348) 25.462 15.153 ( 1.293 1.293 -10.474) 10.632 15.209 ( 4.525 4.525 -16.340) 17.548 15.602 ( 2.458 2.458 -7.327) 8.110 18.391 ( -1.452 -1.452 11.035) 11.224 19.162 ( 7.681 7.681 19.336) 22.178 26.089 ( -0.620 -0.620 -2.714) 2.852 26.149 ( -0.914 -0.914 0.856) 1.550 27.741 ( -4.468 -4.468 -14.993) 16.270 28.148 ( -4.760 -4.760 3.909) 7.785 28.249 ( -7.925 -7.925 -1.907) 11.369 28.358 ( -2.957 -2.957 -0.605) 4.226 30.171 ( -0.044 -0.044 -12.737) 12.737 32.189 ( 13.699 13.699 13.954) 23.875 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 4.594 -34.750 6.143) 35.586 3.962 ( -28.040 1.584 0.313) 28.087 4.130 ( -4.828 1.825 -1.660) 5.422 4.461 ( -7.362 -7.829 6.004) 12.310 4.484 ( -6.363 -2.469 4.785) 8.335 5.770 ( -5.108 -4.873 9.109) 11.524 5.856 ( -0.326 -1.451 -23.263) 23.311 6.191 ( 16.495 -2.182 -17.080) 23.844 6.617 ( -1.859 9.857 -16.009) 18.892 7.197 ( 13.970 11.189 0.509) 17.906 7.697 ( -0.311 0.310 3.047) 3.078 8.153 ( 3.274 -5.956 -6.334) 9.290 8.725 ( -10.123 -0.970 -8.417) 13.200 9.706 ( 6.696 -7.946 -2.776) 10.755 10.016 ( 3.058 7.502 11.946) 14.434 10.047 ( -4.001 8.778 1.658) 9.788 10.409 ( -7.886 -5.456 3.093) 10.076 10.662 ( 9.448 2.158 11.571) 15.093 11.185 ( 0.753 6.868 9.532) 11.773 11.412 ( -1.037 -2.910 9.946) 10.415 13.079 ( -0.176 1.653 19.378) 19.449 13.717 ( -11.020 -7.021 11.026) 17.097 13.945 ( -2.163 -3.264 -12.317) 12.924 14.924 ( 12.040 -2.835 -10.784) 16.410 15.111 ( -2.951 7.759 -14.338) 16.568 15.463 ( -0.832 -1.424 -10.178) 10.311 18.531 ( 0.693 -1.339 9.629) 9.747 19.521 ( 5.323 7.855 12.644) 15.808 26.067 ( 0.622 1.122 0.316) 1.321 26.214 ( -3.596 2.255 5.240) 6.744 27.465 ( -1.194 -1.263 -14.776) 14.878 27.961 ( -1.963 -14.227 -6.722) 15.857 28.189 ( -7.480 -2.167 4.684) 9.088 28.420 ( -2.332 0.537 4.143) 4.785 29.991 ( -2.064 -1.990 -8.137) 8.627 32.531 ( 12.293 11.370 7.790) 18.468 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 0.696 -21.191 -6.095) 22.061 3.851 ( -25.877 -0.108 -13.750) 29.304 4.130 ( -4.678 -3.958 2.921) 6.788 4.404 ( -11.717 -0.124 7.212) 13.759 4.733 ( -1.052 -0.268 14.694) 14.734 5.486 ( -3.438 -1.676 -21.214) 21.556 5.741 ( -7.106 -2.562 -6.334) 9.858 5.912 ( 11.746 -4.853 -12.887) 18.100 6.452 ( -5.972 3.378 -16.380) 17.759 7.360 ( 13.235 7.419 3.235) 15.514 7.722 ( 0.740 -0.845 0.308) 1.164 7.970 ( 3.422 -4.541 -5.956) 8.234 8.598 ( -14.614 0.998 -9.703) 17.571 9.565 ( 8.321 -6.286 -0.663) 10.450 10.132 ( -7.004 11.144 -0.816) 13.187 10.399 ( -3.649 -2.372 10.330) 11.210 10.429 ( 6.369 2.357 15.450) 16.877 10.834 ( 12.617 0.412 8.897) 15.444 11.390 ( 1.467 3.410 6.543) 7.523 11.493 ( 1.143 -0.968 5.624) 5.820 13.378 ( 0.040 4.891 11.433) 12.435 13.681 ( -2.932 0.947 -8.969) 9.483 13.798 ( -10.309 -10.133 2.413) 14.655 14.804 ( 5.421 0.277 -1.547) 5.644 14.963 ( -0.369 0.110 -10.840) 10.847 15.329 ( -0.815 -0.538 -3.493) 3.627 18.636 ( 3.541 -0.465 5.362) 6.443 19.743 ( 3.141 5.078 4.248) 7.327 26.118 ( -0.019 3.235 1.580) 3.601 26.350 ( -6.536 0.049 9.749) 11.738 27.280 ( 3.406 4.753 -12.234) 13.560 27.675 ( 0.432 -13.476 -4.306) 14.154 28.249 ( -6.520 -1.534 6.261) 9.169 28.452 ( -1.983 0.502 -1.133) 2.338 29.894 ( -3.569 -2.036 -0.300) 4.120 32.731 ( 11.631 6.843 1.543) 13.583 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -3.460 0.000 -17.516) 17.855 3.574 ( -28.720 0.000 -21.044) 35.605 4.214 ( 0.300 -0.000 10.842) 10.846 4.518 ( -10.973 0.000 5.419) 12.238 4.896 ( -0.051 -0.000 6.732) 6.732 5.177 ( -7.289 0.000 -17.203) 18.684 5.522 ( -13.258 0.000 -19.558) 23.629 5.712 ( 5.775 -0.000 -6.376) 8.603 6.252 ( -9.979 0.000 -11.707) 15.383 7.483 ( 10.675 -0.000 5.419) 11.972 7.690 ( 1.734 0.000 -2.678) 3.190 7.860 ( 0.958 0.000 -4.883) 4.976 8.447 ( -15.661 0.000 -10.590) 18.906 9.531 ( 11.255 -0.000 1.643) 11.374 10.236 ( -3.844 0.000 0.783) 3.923 10.501 ( -7.040 -0.000 12.839) 14.643 10.738 ( 14.146 -0.000 16.880) 22.024 10.947 ( 14.121 -0.000 5.371) 15.108 11.492 ( 4.647 -0.000 5.620) 7.292 11.559 ( 1.830 -0.000 2.580) 3.163 13.455 ( 0.605 0.000 -9.593) 9.612 13.571 ( -9.515 0.000 -4.555) 10.549 13.651 ( -5.756 0.000 -11.034) 12.445 14.865 ( 1.498 -0.000 7.209) 7.363 14.895 ( -1.766 -0.000 5.303) 5.590 15.357 ( 1.090 -0.000 7.327) 7.407 18.669 ( 6.943 -0.000 -1.134) 7.035 19.780 ( 1.866 0.000 -4.277) 4.666 26.164 ( 0.303 -0.000 -0.103) 0.320 26.517 ( -12.274 0.000 13.702) 18.395 27.186 ( 9.057 -0.000 -7.449) 11.726 27.525 ( 0.131 0.000 -0.387) 0.409 28.318 ( -2.789 0.000 1.774) 3.305 28.424 ( -4.498 0.000 -0.056) 4.499 29.933 ( -3.749 -0.000 7.126) 8.052 32.755 ( 12.167 -0.000 -5.018) 13.161 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -15.109 -15.109 -12.217) 24.613 3.474 ( -17.891 -17.891 -9.127) 26.898 4.124 ( -1.406 -1.406 6.269) 6.577 4.319 ( -7.072 -7.072 4.608) 11.012 4.739 ( 1.093 1.093 14.996) 15.075 5.471 ( -3.227 -3.227 -22.623) 23.079 5.706 ( -6.402 -6.402 -7.720) 11.898 6.080 ( 3.987 3.987 -16.247) 17.198 6.336 ( -2.153 -2.153 -16.013) 16.299 7.404 ( 11.747 11.747 1.994) 16.732 7.732 ( -0.455 -0.455 2.016) 2.116 8.049 ( -1.117 -1.117 -8.976) 9.114 8.460 ( -6.976 -6.976 -8.808) 13.225 9.763 ( 0.853 0.853 2.608) 2.873 9.908 ( 2.611 2.611 -3.721) 5.243 10.385 ( -5.649 -5.649 8.664) 11.785 10.465 ( 8.751 8.751 19.472) 23.072 10.936 ( 6.014 6.014 9.342) 12.634 11.356 ( 4.856 4.856 6.998) 9.805 11.518 ( -1.327 -1.327 6.598) 6.860 13.338 ( 2.412 2.412 11.126) 11.638 13.648 ( -0.756 -0.756 -9.852) 9.910 13.804 ( -11.701 -11.701 4.301) 17.098 14.848 ( 2.791 2.791 -8.592) 9.456 14.954 ( 0.128 0.128 -6.159) 6.162 15.327 ( -1.073 -1.073 -3.133) 3.481 18.667 ( 1.155 1.155 6.406) 6.611 19.725 ( 5.685 5.685 3.730) 8.863 26.089 ( 1.852 1.852 0.754) 2.725 26.306 ( -2.446 -2.446 10.330) 10.893 27.268 ( 2.925 2.925 -11.510) 12.231 27.797 ( -7.077 -7.077 -5.444) 11.393 28.198 ( -5.735 -5.735 7.741) 11.211 28.434 ( -0.226 -0.226 -0.834) 0.893 29.884 ( -2.958 -2.958 -0.665) 4.235 32.764 ( 10.899 10.899 1.560) 15.492 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -2.872 -20.530 -20.147) 28.908 3.159 ( -31.373 -2.368 -20.833) 37.734 4.229 ( 0.075 -0.965 9.788) 9.835 4.390 ( -8.268 -2.851 10.168) 13.412 4.924 ( 3.655 1.638 6.235) 7.410 5.096 ( -6.461 -2.652 -20.321) 21.488 5.380 ( -11.496 -5.611 -23.524) 26.777 5.836 ( 5.749 -4.360 -11.916) 13.930 6.098 ( -10.789 0.010 -13.190) 17.041 7.563 ( 9.099 6.978 1.595) 11.577 7.732 ( 0.743 -2.085 -0.346) 2.240 7.887 ( 0.459 -1.490 -8.369) 8.513 8.261 ( -11.416 -2.574 -9.340) 14.973 9.762 ( 15.922 -4.638 4.361) 17.148 10.061 ( -5.192 14.040 2.856) 15.239 10.458 ( -7.033 -6.669 14.267) 17.248 10.873 ( 11.140 6.098 18.365) 22.329 11.114 ( 10.044 2.169 6.790) 12.316 11.509 ( 2.905 4.575 4.215) 6.865 11.591 ( 0.963 -1.424 5.509) 5.771 13.420 ( 1.197 3.201 -7.769) 8.488 13.486 ( -7.158 -2.651 -7.245) 10.524 13.614 ( -5.673 -5.648 -13.423) 15.629 14.868 ( -0.884 -0.552 8.709) 8.772 14.893 ( -1.623 -2.180 3.363) 4.324 15.366 ( 0.910 0.639 7.598) 7.679 18.751 ( 5.354 1.567 1.764) 5.851 19.783 ( 3.484 4.005 -5.144) 7.391 26.136 ( 0.684 3.345 0.108) 3.416 26.405 ( -9.956 -6.612 9.977) 15.569 27.227 ( 8.858 9.341 -4.908) 13.777 27.622 ( -1.411 -9.346 -1.794) 9.621 28.261 ( -7.496 -3.444 8.622) 11.932 28.382 ( -1.022 0.276 -5.384) 5.487 29.900 ( -3.316 -2.159 7.346) 8.344 32.873 ( 11.595 7.160 -4.078) 14.224 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -5.174 0.000 -26.901) 27.394 2.779 ( -32.365 0.000 -26.015) 41.524 4.388 ( -5.601 0.000 -14.004) 15.083 4.411 ( 0.948 -0.000 12.309) 12.345 4.802 ( -9.632 0.000 -15.591) 18.326 4.929 ( -19.696 0.000 -19.780) 27.914 4.974 ( 4.292 -0.000 -1.837) 4.668 5.697 ( 1.276 -0.000 -1.030) 1.640 5.947 ( -12.655 0.000 -5.703) 13.881 7.650 ( 4.305 -0.000 2.277) 4.870 7.663 ( 2.372 0.000 -4.673) 5.240 7.769 ( -1.610 0.000 -6.048) 6.258 8.098 ( -11.700 0.000 -9.451) 15.040 9.804 ( 19.076 -0.000 4.907) 19.697 10.219 ( -2.659 0.000 2.845) 3.894 10.690 ( -3.784 -0.000 21.696) 22.023 11.171 ( 12.549 -0.000 14.437) 19.129 11.195 ( 13.999 -0.000 1.319) 14.061 11.604 ( 1.404 -0.000 -0.083) 1.406 11.653 ( 2.979 -0.000 7.942) 8.482 13.192 ( 0.650 0.000 -23.641) 23.650 13.270 ( -8.866 0.000 -17.912) 19.986 13.401 ( -10.539 0.000 -5.925) 12.091 15.036 ( 0.941 -0.000 13.342) 13.375 15.046 ( -2.157 -0.000 16.171) 16.314 15.550 ( 0.539 -0.000 15.484) 15.493 18.747 ( 11.257 -0.000 -4.650) 12.180 19.674 ( 1.874 0.000 -12.992) 13.127 26.150 ( 0.503 0.000 -2.433) 2.485 26.484 ( -19.904 0.000 10.445) 22.478 27.301 ( 12.788 -0.000 1.323) 12.857 27.535 ( -0.181 -0.000 1.697) 1.707 28.259 ( 0.101 0.000 -6.569) 6.570 28.406 ( -8.176 0.000 9.860) 12.809 30.034 ( -2.850 -0.000 11.545) 11.892 32.822 ( 14.165 -0.000 -9.900) 17.282 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -10.934 -10.934 -27.966) 31.956 2.426 ( -14.534 -14.534 -26.626) 33.637 4.312 ( 3.161 3.161 -9.457) 10.460 4.496 ( -3.879 -3.879 12.468) 13.621 4.688 ( -6.119 -6.119 -22.714) 24.307 4.788 ( -11.070 -11.070 -21.724) 26.777 5.009 ( 3.225 3.225 -1.701) 4.867 5.740 ( -1.030 -1.030 -3.946) 4.206 5.821 ( -6.167 -6.167 -5.094) 10.100 7.650 ( 4.511 4.511 -2.104) 6.717 7.724 ( -1.198 -1.198 -1.010) 1.973 7.746 ( -0.401 -0.401 -8.849) 8.867 8.008 ( -5.630 -5.630 -8.539) 11.675 10.056 ( 7.385 7.385 2.634) 10.771 10.088 ( 5.228 5.228 6.980) 10.168 10.666 ( -4.365 -4.365 24.138) 24.915 11.259 ( 7.097 7.097 14.952) 18.008 11.318 ( 7.355 7.355 3.756) 11.060 11.578 ( 2.669 2.669 0.086) 3.776 11.687 ( -2.177 -2.177 7.664) 8.259 13.195 ( 0.421 0.421 -21.992) 22.000 13.219 ( -4.797 -4.797 -20.035) 21.152 13.311 ( -5.064 -5.064 -9.844) 12.173 15.018 ( -0.331 -0.331 14.117) 14.125 15.053 ( -2.483 -2.483 17.109) 17.466 15.553 ( 0.651 0.651 14.882) 14.910 18.838 ( 6.031 6.031 -1.092) 8.599 19.681 ( 2.668 2.668 -13.735) 14.244 26.137 ( 1.422 1.422 -2.005) 2.840 26.351 ( -12.866 -12.866 4.821) 18.823 27.358 ( 10.669 10.669 2.137) 15.239 27.581 ( -3.424 -3.424 0.873) 4.920 28.267 ( -0.260 -0.260 -7.700) 7.709 28.329 ( -5.409 -5.409 12.422) 14.588 30.015 ( -1.937 -1.937 11.852) 12.164 32.925 ( 8.978 8.978 -7.979) 14.996 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -4.297 0.000 -33.139) 33.417 1.926 ( -25.955 0.000 -31.392) 40.732 3.648 ( -8.304 0.000 -62.533) 63.081 4.436 ( -6.306 0.000 -12.219) 13.751 4.621 ( -0.304 -0.000 9.652) 9.657 4.687 ( -9.215 0.000 8.513) 12.546 4.956 ( 2.667 0.000 -7.583) 8.038 5.740 ( -0.917 -0.000 6.801) 6.863 5.790 ( -7.715 0.000 5.090) 9.242 7.595 ( 1.057 0.000 -7.808) 7.879 7.666 ( -0.910 0.000 -4.187) 4.284 7.673 ( -1.183 0.000 -1.748) 2.111 7.843 ( -6.045 0.000 -7.790) 9.861 10.129 ( 14.733 -0.000 4.417) 15.381 10.246 ( -1.091 -0.000 3.921) 4.070 11.043 ( 1.153 -0.000 25.736) 25.762 11.377 ( 15.928 -0.000 -4.661) 16.596 11.483 ( 8.137 -0.000 3.158) 8.728 11.603 ( -0.504 -0.000 2.825) 2.869 11.792 ( -4.030 -0.000 10.551) 11.294 12.823 ( 0.360 0.000 -23.715) 23.718 12.856 ( -6.323 0.000 -20.363) 21.322 13.167 ( -10.950 0.000 -4.704) 11.918 15.277 ( 0.183 -0.000 16.063) 16.064 15.282 ( -1.265 -0.000 16.844) 16.891 15.828 ( -0.097 -0.000 20.403) 20.403 18.853 ( 14.766 -0.000 -4.874) 15.550 19.441 ( 1.318 0.000 -20.156) 20.199 26.106 ( 0.332 0.000 -3.892) 3.906 26.290 ( -24.157 0.000 4.669) 24.605 27.504 ( 8.620 -0.000 3.658) 9.364 27.569 ( -0.168 -0.000 3.029) 3.034 28.151 ( -0.479 0.000 -6.668) 6.685 28.501 ( -4.615 -0.000 14.224) 14.953 30.189 ( -1.526 -0.000 12.185) 12.281 32.855 ( 14.006 -0.000 -11.113) 17.880 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 0.000 -37.263) 37.263 1.184 ( 0.000 0.000 -37.263) 37.263 2.492 ( 0.000 0.000 -76.710) 76.710 4.216 ( 0.000 0.000 -9.039) 9.039 4.758 ( -0.000 -0.000 7.462) 7.462 4.758 ( -0.000 -0.000 7.462) 7.462 4.832 ( 0.000 0.000 -9.685) 9.685 5.883 ( -0.000 -0.000 12.592) 12.592 5.883 ( -0.000 -0.000 12.592) 12.592 7.489 ( 0.000 0.000 -6.178) 6.178 7.588 ( 0.000 0.000 -5.727) 5.727 7.588 ( 0.000 0.000 -5.727) 5.727 7.701 ( 0.000 0.000 -5.306) 5.306 10.299 ( -0.000 -0.000 3.678) 3.678 10.299 ( -0.000 -0.000 3.678) 3.678 11.419 ( 0.000 0.000 -10.853) 10.853 11.419 ( 0.000 0.000 -10.853) 10.853 11.445 ( -0.000 -0.000 22.175) 22.175 11.742 ( -0.000 -0.000 8.348) 8.348 11.908 ( -0.000 -0.000 12.729) 12.729 12.520 ( 0.000 0.000 -15.677) 15.677 12.520 ( 0.000 0.000 -15.677) 15.677 13.001 ( 0.000 0.000 -4.652) 4.652 15.503 ( -0.000 -0.000 12.906) 12.906 15.503 ( -0.000 -0.000 12.906) 12.906 16.165 ( -0.000 -0.000 23.268) 23.268 18.964 ( 0.000 0.000 -0.471) 0.471 19.112 ( 0.000 0.000 -23.431) 23.431 26.048 ( 0.000 0.000 -3.810) 3.810 26.048 ( 0.000 0.000 -3.810) 3.810 27.616 ( -0.000 -0.000 3.027) 3.027 27.616 ( -0.000 -0.000 3.027) 3.027 28.057 ( 0.000 0.000 -4.749) 4.749 28.692 ( -0.000 -0.000 13.540) 13.540 30.348 ( -0.000 -0.000 9.661) 9.661 32.844 ( 0.000 0.000 -7.266) 7.266 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 13.337 13.337 16.932) 25.347 4.224 ( 19.846 19.846 10.798) 30.072 4.427 ( -5.929 -5.929 4.223) 9.389 4.638 ( 9.164 9.164 -4.212) 13.627 5.285 ( 7.626 7.626 -6.826) 12.763 5.444 ( 6.014 6.014 5.595) 10.180 5.703 ( 8.504 8.504 14.085) 18.521 5.980 ( 4.486 4.486 -9.286) 11.246 6.318 ( 1.038 1.038 -1.392) 2.023 6.719 ( -16.461 -16.461 -8.139) 24.661 7.890 ( 4.233 4.233 11.106) 12.616 8.126 ( 2.764 2.764 -1.795) 4.302 8.592 ( 11.090 11.090 5.055) 16.478 9.701 ( -5.550 -5.550 -1.833) 8.060 9.730 ( 0.895 0.895 4.079) 4.271 10.144 ( -14.616 -14.616 -6.871) 21.782 10.655 ( -4.562 -4.562 1.087) 6.543 10.818 ( -4.551 -4.551 -5.371) 8.383 11.246 ( -0.043 -0.043 -0.207) 0.215 11.488 ( -4.252 -4.252 3.867) 7.150 13.154 ( 0.524 0.524 6.928) 6.967 13.354 ( -2.497 -2.497 8.723) 9.411 14.334 ( 15.059 15.059 -6.199) 22.181 15.069 ( 0.362 0.362 0.560) 0.759 15.121 ( -0.924 -0.924 -3.620) 3.849 15.295 ( -6.635 -6.635 -13.981) 16.837 18.557 ( 2.871 2.871 10.045) 10.835 19.159 ( -8.966 -8.966 11.079) 16.838 25.974 ( -0.698 -0.698 -1.659) 1.930 26.307 ( -9.254 -9.254 -7.130) 14.903 27.714 ( 11.820 11.820 -17.275) 24.039 28.044 ( 4.191 4.191 -1.749) 6.179 28.331 ( 1.395 1.395 3.212) 3.770 28.526 ( -1.305 -1.305 -1.869) 2.627 30.507 ( 10.857 10.857 -4.713) 16.061 31.728 ( -16.470 -16.470 13.373) 26.858 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( 8.136 7.814 10.348) 15.308 4.281 ( 6.329 -5.355 -3.513) 9.004 4.575 ( 15.619 1.356 5.097) 16.486 4.737 ( 6.095 9.455 -0.476) 11.259 5.290 ( 7.451 5.257 -4.092) 9.995 5.606 ( 3.048 9.508 3.337) 10.527 5.795 ( 3.040 -6.615 -3.026) 7.884 6.034 ( 6.782 3.635 4.795) 9.066 6.318 ( -7.111 2.540 -1.180) 7.643 6.416 ( -18.412 -11.264 -3.474) 21.862 8.071 ( 8.276 -1.614 8.906) 12.264 8.127 ( 6.278 4.562 -4.948) 9.203 8.841 ( 6.573 10.550 4.626) 13.264 9.559 ( -7.869 -8.844 -1.862) 11.983 9.817 ( -4.174 0.864 3.402) 5.453 9.898 ( -9.332 -4.136 -5.344) 11.522 10.596 ( 1.783 -3.076 -0.261) 3.565 10.721 ( -3.226 -0.913 -2.359) 4.099 11.230 ( 1.779 -0.066 -1.083) 2.084 11.470 ( -4.181 -1.824 0.614) 4.603 13.246 ( 0.514 -0.269 4.190) 4.230 13.442 ( -7.325 -1.013 4.196) 8.503 14.451 ( 13.010 8.217 -0.685) 15.403 14.941 ( -4.892 -3.772 -8.897) 10.831 15.022 ( 7.470 -3.362 -0.061) 8.192 15.231 ( -3.892 2.481 0.429) 4.635 18.697 ( 6.317 1.626 3.605) 7.452 19.178 ( -13.745 -3.923 3.777) 14.785 25.955 ( -1.269 0.375 -0.443) 1.395 26.126 ( -8.185 -4.185 -3.249) 9.750 27.658 ( 13.232 4.604 -5.596) 15.086 28.035 ( -0.500 0.554 -1.896) 2.038 28.414 ( 2.040 1.095 3.593) 4.275 28.487 ( -0.088 -0.626 -1.662) 1.778 30.573 ( 21.284 5.132 -1.996) 21.985 31.696 ( -24.751 -6.957 4.622) 26.122 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 21.399 -0.000 0.000) 21.399 2.250 ( 35.267 -0.000 0.000) 35.267 3.730 ( 50.170 -0.000 0.000) 50.170 4.559 ( -1.487 0.000 -0.000) 1.487 4.803 ( 2.411 -0.000 0.000) 2.411 5.066 ( 25.503 -0.000 0.000) 25.503 5.221 ( 1.829 -0.000 0.000) 1.829 6.578 ( 12.160 -0.000 0.000) 12.160 6.667 ( 16.638 -0.000 0.000) 16.638 7.401 ( 2.589 -0.000 0.000) 2.589 7.558 ( 0.938 -0.000 0.000) 0.938 7.934 ( 10.713 -0.000 0.000) 10.713 8.776 ( 5.756 -0.000 0.000) 5.756 9.081 ( -17.344 0.000 -0.000) 17.344 10.032 ( -5.698 0.000 -0.000) 5.698 10.373 ( -0.947 0.000 -0.000) 0.947 10.814 ( -22.259 0.000 -0.000) 22.259 11.062 ( -5.020 0.000 -0.000) 5.020 11.127 ( -14.773 0.000 -0.000) 14.773 11.331 ( -17.185 0.000 -0.000) 17.185 12.187 ( -3.013 0.000 -0.000) 3.013 13.937 ( 23.994 -0.000 0.000) 23.994 14.340 ( 25.890 -0.000 0.000) 25.890 14.575 ( -32.560 0.000 -0.000) 32.560 15.823 ( 3.455 -0.000 0.000) 3.455 16.459 ( -8.713 0.000 -0.000) 8.713 17.751 ( 7.540 -0.000 0.000) 7.540 18.589 ( -1.777 0.000 -0.000) 1.777 25.952 ( -0.936 0.000 -0.000) 0.936 27.148 ( -13.744 0.000 -0.000) 13.744 27.697 ( 1.263 -0.000 0.000) 1.263 28.008 ( -1.400 0.000 -0.000) 1.400 28.641 ( -10.009 0.000 -0.000) 10.009 29.478 ( -20.135 0.000 -0.000) 20.135 30.138 ( 21.817 -0.000 0.000) 21.817 31.103 ( 9.304 -0.000 0.000) 9.304 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( 2.958 2.958 -0.240) 4.191 4.218 ( -2.257 -2.257 -5.526) 6.382 4.754 ( 8.146 8.146 -3.110) 11.933 4.848 ( 1.455 1.455 2.094) 2.936 5.380 ( 13.332 13.332 -3.279) 19.138 5.672 ( -5.605 -5.605 2.862) 8.427 5.844 ( 4.356 4.356 5.444) 8.221 6.105 ( -11.958 -11.958 2.136) 17.046 6.142 ( 3.982 3.982 -0.579) 5.661 6.272 ( -5.942 -5.942 0.140) 8.405 8.119 ( 5.828 5.828 -6.840) 10.711 8.212 ( -0.640 -0.640 -0.143) 0.917 9.040 ( 9.328 9.328 4.379) 13.899 9.339 ( -11.943 -11.943 -2.510) 17.075 9.789 ( -0.643 -0.643 -1.034) 1.377 9.820 ( -2.437 -2.437 1.675) 3.833 10.610 ( 1.960 1.960 -1.011) 2.950 10.670 ( -1.636 -1.636 -0.131) 2.317 11.259 ( 5.299 5.299 -1.190) 7.588 11.414 ( -5.173 -5.173 0.982) 7.382 13.262 ( 2.376 2.376 -4.749) 5.817 13.365 ( -4.902 -4.902 -2.704) 7.441 14.667 ( 6.196 6.196 9.085) 12.622 14.811 ( -4.246 -4.246 2.677) 6.575 15.054 ( 7.052 7.052 -5.598) 11.437 15.224 ( -4.836 -4.836 2.086) 7.150 18.796 ( 6.118 6.118 -2.999) 9.157 19.010 ( -9.032 -9.032 -3.716) 13.303 25.966 ( 0.659 0.659 2.177) 2.368 26.021 ( -3.361 -3.361 0.682) 4.801 27.808 ( 8.735 8.735 4.203) 13.048 28.009 ( -5.427 -5.427 5.351) 9.356 28.459 ( 0.547 0.547 -0.322) 0.838 28.460 ( 0.624 0.624 -2.530) 2.679 30.837 ( 19.484 19.484 -2.926) 27.709 31.396 ( -20.292 -20.292 -0.738) 28.707 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 10.430 -10.430 -10.727) 18.239 4.216 ( -8.199 8.199 -5.384) 12.784 4.688 ( 11.542 -11.542 -7.302) 17.882 4.823 ( 2.095 -2.095 1.129) 3.171 5.464 ( 4.912 -4.912 0.994) 7.017 5.532 ( 0.369 -0.369 -8.381) 8.397 5.929 ( 8.951 -8.951 5.475) 13.791 6.128 ( 6.077 -6.077 6.137) 10.561 6.267 ( -14.785 14.785 8.139) 22.437 6.276 ( -4.310 4.310 5.365) 8.120 8.020 ( 4.686 -4.686 -10.807) 12.677 8.123 ( -2.375 2.375 -6.845) 7.625 8.979 ( 16.052 -16.052 0.985) 22.722 9.425 ( -14.669 14.669 2.374) 20.881 9.767 ( 1.821 -1.821 -1.491) 2.975 9.855 ( -5.564 5.564 2.636) 8.299 10.603 ( 0.785 -0.785 -1.721) 2.048 10.682 ( -4.440 4.440 -0.171) 6.282 11.286 ( 2.552 -2.552 -1.665) 3.974 11.375 ( -3.744 3.744 -3.799) 6.517 13.192 ( 2.210 -2.210 -4.256) 5.280 13.270 ( -3.212 3.212 -4.920) 6.696 14.727 ( 13.020 -13.020 10.922) 21.409 15.030 ( -6.961 6.961 11.385) 15.051 15.101 ( -0.406 0.406 -2.996) 3.051 15.111 ( -2.835 2.835 -2.144) 4.546 18.692 ( 6.626 -6.626 -9.361) 13.246 18.909 ( -8.740 8.740 -9.834) 15.796 25.991 ( 2.113 -2.113 3.577) 4.661 26.098 ( -5.702 5.702 5.436) 9.725 27.975 ( 6.896 -6.896 14.670) 17.616 28.090 ( -1.264 1.264 8.853) 9.032 28.388 ( 2.712 -2.712 -3.488) 5.184 28.468 ( -2.744 2.744 -1.660) 4.221 30.855 ( 14.095 -14.095 -1.974) 20.031 31.276 ( -15.997 15.997 -8.644) 24.218 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 16.180 -37.538 0.000) 40.877 2.749 ( 30.080 -5.426 0.000) 30.565 4.246 ( 16.537 0.827 0.000) 16.558 4.609 ( 17.302 0.927 0.000) 17.327 4.833 ( -1.206 -3.921 0.000) 4.102 5.171 ( -10.676 -1.181 -0.000) 10.741 5.503 ( 30.427 -4.814 0.000) 30.806 6.773 ( 13.321 -2.694 0.000) 13.591 6.931 ( 18.059 -2.500 0.000) 18.231 7.382 ( 3.219 9.946 -0.000) 10.454 7.543 ( 0.103 2.074 -0.000) 2.076 8.024 ( 7.957 7.937 0.000) 11.239 8.897 ( 9.536 -2.579 0.000) 9.879 8.940 ( -14.410 -13.844 -0.000) 19.983 9.984 ( -1.278 0.072 -0.000) 1.280 10.319 ( -3.546 3.023 -0.000) 4.660 10.465 ( -15.792 9.495 -0.000) 18.426 10.851 ( -10.922 6.564 -0.000) 12.743 11.034 ( -10.419 -1.181 -0.000) 10.485 11.062 ( -17.120 3.640 -0.000) 17.503 12.240 ( -3.037 -13.623 0.000) 13.958 14.115 ( -34.312 -0.827 -0.000) 34.322 14.329 ( 22.598 -9.153 0.000) 24.381 14.661 ( 26.820 5.412 0.000) 27.360 15.793 ( 3.809 11.001 -0.000) 11.641 16.311 ( -11.534 1.656 -0.000) 11.652 17.868 ( 7.327 -1.941 0.000) 7.580 18.530 ( -2.456 3.973 -0.000) 4.671 25.959 ( -0.652 -2.804 0.000) 2.879 26.902 ( -14.568 6.047 -0.000) 15.773 27.728 ( 1.929 -1.613 0.000) 2.515 28.066 ( -1.294 -10.477 0.000) 10.557 28.480 ( -11.493 1.435 -0.000) 11.582 29.230 ( -21.296 -4.441 -0.000) 21.754 30.444 ( 22.298 0.811 0.000) 22.313 31.172 ( 9.344 7.823 0.000) 12.186 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 17.669 -0.000 11.812) 21.253 2.817 ( 28.594 -0.000 13.499) 31.620 4.362 ( 15.684 -0.000 13.726) 20.842 4.633 ( 17.196 -0.000 2.298) 17.349 4.767 ( -1.690 0.000 -4.803) 5.092 5.177 ( -10.217 0.000 1.675) 10.353 5.452 ( 30.468 -0.000 -2.176) 30.545 6.693 ( 14.587 0.000 -23.012) 27.246 6.706 ( 13.677 -0.000 -6.133) 14.989 7.492 ( 4.078 -0.000 3.240) 5.209 7.660 ( 2.840 -0.000 9.126) 9.558 8.158 ( 13.015 -0.000 8.789) 15.705 8.366 ( -3.568 0.000 -31.297) 31.499 9.198 ( -3.694 -0.000 13.796) 14.282 10.113 ( -4.828 -0.000 14.631) 15.407 10.332 ( -4.304 0.000 -1.090) 4.439 10.584 ( -17.276 0.000 6.914) 18.608 10.898 ( -13.196 0.000 -7.393) 15.126 10.961 ( -11.883 0.000 3.447) 12.373 11.179 ( -11.128 0.000 8.276) 13.868 12.222 ( -2.153 -0.000 9.742) 9.977 14.074 ( -16.326 0.000 -4.896) 17.045 14.256 ( 11.482 -0.000 -1.119) 11.536 14.636 ( 19.151 -0.000 -7.343) 20.511 15.820 ( 3.576 0.000 -6.853) 7.729 16.220 ( -10.060 0.000 -11.927) 15.603 17.912 ( 5.939 -0.000 7.340) 9.442 18.708 ( -2.334 -0.000 17.891) 18.043 25.955 ( -1.035 -0.000 2.122) 2.361 26.912 ( -15.330 0.000 -4.230) 15.903 27.704 ( 1.735 -0.000 -1.872) 2.553 27.981 ( -0.945 0.000 -1.066) 1.424 28.503 ( -9.777 0.000 1.116) 9.841 28.963 ( -8.924 0.000 -26.627) 28.083 30.384 ( 11.361 -0.000 -6.514) 13.096 31.453 ( 8.408 -0.000 24.405) 25.813 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 11.138 -47.308 0.000) 48.602 3.208 ( 23.332 -6.840 0.000) 24.314 4.224 ( -4.036 6.113 -0.000) 7.325 4.784 ( -16.730 1.907 -0.000) 16.839 4.931 ( 19.425 -1.520 0.000) 19.484 5.039 ( -10.459 -9.220 -0.000) 13.943 6.005 ( 30.044 -6.080 0.000) 30.653 7.013 ( 13.181 -4.846 0.000) 14.044 7.202 ( 1.283 19.845 -0.000) 19.886 7.217 ( 17.342 -2.773 0.000) 17.563 7.512 ( -0.783 2.567 -0.000) 2.683 7.926 ( -0.369 12.268 -0.000) 12.273 9.073 ( -3.051 -20.992 0.000) 21.213 9.117 ( 14.117 -5.303 0.000) 15.080 9.954 ( -2.654 4.109 -0.000) 4.891 10.126 ( -10.788 13.217 -0.000) 17.061 10.230 ( -2.898 -0.450 -0.000) 2.933 10.639 ( -7.280 4.712 -0.000) 8.671 10.786 ( -12.229 5.587 -0.000) 13.445 10.831 ( -10.651 8.146 -0.000) 13.408 12.466 ( -3.069 -24.243 0.000) 24.437 13.654 ( -34.434 -1.588 -0.000) 34.471 14.787 ( 19.800 -12.830 0.000) 23.594 14.955 ( 27.127 4.943 0.000) 27.574 15.644 ( 4.217 17.965 -0.000) 18.453 16.080 ( -14.106 6.307 -0.000) 15.452 18.003 ( 7.109 -2.919 0.000) 7.685 18.420 ( -2.963 6.095 -0.000) 6.778 26.018 ( 0.576 -5.987 0.000) 6.015 26.609 ( -13.845 6.872 -0.000) 15.456 27.802 ( 2.677 -4.552 0.000) 5.281 28.241 ( -1.304 -16.657 0.000) 16.708 28.291 ( -11.580 2.490 -0.000) 11.844 28.992 ( -22.312 -4.524 -0.000) 22.766 30.719 ( 20.969 3.004 0.000) 21.183 31.158 ( 9.152 12.467 -0.000) 15.466 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 13.817 -32.139 8.321) 35.959 3.211 ( 23.398 -3.791 9.821) 25.657 4.353 ( -4.218 4.506 6.680) 9.095 4.765 ( -5.490 -2.451 -4.058) 7.253 4.944 ( -2.667 -1.166 2.558) 3.875 4.968 ( 1.191 -3.458 5.773) 6.834 5.910 ( 31.122 -3.441 -3.695) 31.529 6.890 ( 13.431 -0.218 -21.606) 25.441 6.924 ( 14.013 -2.503 -10.776) 17.854 7.515 ( 4.680 7.016 3.092) 8.982 7.607 ( 1.589 10.833 4.797) 11.954 8.138 ( 1.043 9.221 1.132) 9.348 8.556 ( 6.043 -18.486 -12.394) 23.062 9.265 ( 7.084 -4.975 13.442) 15.988 10.037 ( -4.160 4.951 5.041) 8.200 10.226 ( -9.034 -0.329 -0.465) 9.052 10.347 ( -9.664 5.679 8.761) 14.227 10.711 ( -10.503 1.336 -5.584) 11.970 10.794 ( -9.994 3.053 4.426) 11.349 11.017 ( -9.169 3.480 9.636) 13.749 12.269 ( -1.798 -10.615 8.514) 13.726 13.680 ( -32.445 -1.298 5.430) 32.922 14.571 ( 19.124 -7.525 -8.027) 22.064 14.923 ( 24.151 3.878 -11.843) 27.177 15.809 ( 3.618 8.300 -4.860) 10.276 16.054 ( -11.901 2.199 -9.905) 15.639 18.006 ( 5.752 -1.664 5.075) 7.849 18.644 ( -1.981 4.460 18.084) 18.731 25.962 ( -0.615 -2.976 1.538) 3.406 26.659 ( -15.365 4.583 -3.908) 16.503 27.754 ( 2.134 -3.232 -0.564) 3.914 28.030 ( -0.755 -8.092 -2.443) 8.486 28.350 ( -11.374 0.448 4.052) 12.083 28.815 ( -15.263 -3.095 -15.419) 21.916 30.565 ( 14.675 1.576 -17.132) 22.613 31.534 ( 10.572 6.707 23.598) 26.714 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 13.184 -0.000 16.578) 21.181 3.397 ( 19.815 -0.000 17.649) 26.535 4.504 ( -6.565 0.000 6.191) 9.024 4.614 ( -3.378 0.000 -10.457) 10.989 4.986 ( -21.125 0.000 3.698) 21.446 5.114 ( 17.128 -0.000 15.704) 23.237 5.805 ( 29.026 -0.000 -6.530) 29.751 6.472 ( 10.654 0.000 -26.927) 28.958 6.793 ( 16.067 -0.000 -8.382) 18.122 7.589 ( 3.053 -0.000 3.147) 4.384 7.830 ( 5.908 -0.000 3.934) 7.099 7.863 ( -6.616 0.000 -24.815) 25.682 8.546 ( 14.460 -0.000 14.619) 20.562 9.361 ( 7.334 -0.000 4.393) 8.549 10.188 ( -13.940 0.000 -2.109) 14.099 10.205 ( -5.283 -0.000 8.315) 9.851 10.531 ( -12.707 0.000 8.741) 15.423 10.590 ( -10.319 0.000 -7.826) 12.951 10.944 ( -6.383 -0.000 12.061) 13.645 11.199 ( -7.294 0.000 9.851) 12.257 12.425 ( -1.019 -0.000 19.238) 19.265 13.778 ( -26.894 0.000 8.535) 28.216 14.341 ( 14.779 -0.000 -15.652) 21.526 14.740 ( 21.120 -0.000 -13.655) 25.150 15.714 ( 3.263 0.000 -13.172) 13.570 15.892 ( -8.232 0.000 -12.608) 15.057 18.115 ( 3.645 -0.000 10.241) 10.870 19.013 ( -1.223 -0.000 23.595) 23.627 25.985 ( -1.057 -0.000 3.658) 3.807 26.621 ( -15.212 0.000 -5.032) 16.023 27.689 ( 2.008 0.000 -3.431) 3.976 27.945 ( 0.343 0.000 -4.196) 4.210 28.383 ( -7.220 0.000 -4.825) 8.684 28.533 ( -7.208 0.000 -10.775) 12.964 30.329 ( 6.186 0.000 -14.302) 15.583 31.945 ( 9.024 -0.000 22.490) 24.233 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 5.917 -35.618 0.000) 36.107 3.559 ( 12.791 -5.440 0.000) 13.900 4.078 ( -4.487 0.860 -0.000) 4.568 4.355 ( -33.027 3.763 -0.000) 33.241 5.100 ( -2.614 -7.763 0.000) 8.191 5.112 ( 3.452 -1.664 0.000) 3.832 6.482 ( 27.763 -4.483 0.000) 28.122 6.889 ( -1.572 24.636 -0.000) 24.686 7.253 ( 10.485 -5.308 0.000) 11.752 7.429 ( -3.143 6.049 -0.000) 6.817 7.480 ( 15.523 -2.324 0.000) 15.696 7.717 ( -2.720 13.780 -0.000) 14.046 9.376 ( 3.746 -19.688 0.000) 20.041 9.417 ( 15.160 -6.975 0.000) 16.687 9.744 ( -13.192 6.972 -0.000) 14.921 9.793 ( -7.974 15.617 -0.000) 17.535 10.317 ( 6.810 -6.481 0.000) 9.401 10.541 ( -0.592 1.558 -0.000) 1.666 10.554 ( -9.353 9.961 -0.000) 13.664 10.595 ( -4.756 4.462 -0.000) 6.522 12.806 ( -2.794 -30.101 0.000) 30.231 13.211 ( -33.116 -2.255 -0.000) 33.193 15.162 ( 21.967 0.689 0.000) 21.978 15.328 ( 19.890 -11.148 0.000) 22.801 15.426 ( 4.213 21.626 -0.000) 22.033 15.745 ( -15.237 12.558 -0.000) 19.745 18.144 ( 7.016 -3.261 0.000) 7.736 18.286 ( -3.249 6.856 -0.000) 7.587 26.144 ( 2.661 -9.155 0.000) 9.534 26.345 ( -11.913 5.098 -0.000) 12.957 27.928 ( 3.177 -7.713 0.000) 8.342 28.098 ( -10.240 3.132 -0.000) 10.708 28.477 ( -1.908 -20.205 0.000) 20.295 28.737 ( -22.034 -3.159 -0.000) 22.260 30.935 ( 18.655 5.591 0.000) 19.475 31.080 ( 7.839 15.813 -0.000) 17.649 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 9.648 -43.416 5.386) 44.800 3.545 ( 15.293 -4.546 7.207) 17.507 4.171 ( -11.963 7.099 2.007) 14.055 4.453 ( -26.591 4.241 4.526) 27.305 4.945 ( -2.999 -11.195 -2.367) 11.830 5.135 ( 3.012 -2.054 6.083) 7.092 6.384 ( 29.370 -3.610 -5.411) 30.082 7.021 ( 7.966 6.565 -22.082) 24.375 7.144 ( 12.369 -2.037 -6.868) 14.293 7.353 ( 3.477 18.008 -8.798) 20.342 7.530 ( -0.532 3.401 3.172) 4.681 8.047 ( 2.992 7.633 12.310) 14.790 8.932 ( 9.507 -19.312 -9.554) 23.550 9.477 ( 9.167 -5.269 8.582) 13.617 9.801 ( -11.342 8.588 -0.053) 14.227 10.088 ( -7.013 8.146 6.278) 12.448 10.254 ( 0.013 -3.719 3.766) 5.293 10.549 ( -8.657 3.677 -6.263) 11.301 10.656 ( -2.664 2.345 10.416) 11.004 10.833 ( -6.135 6.611 11.226) 14.400 12.450 ( -2.207 -18.355 3.134) 18.751 13.269 ( -30.769 -3.813 10.260) 32.658 14.927 ( 15.692 -6.501 -16.138) 23.430 15.198 ( 21.238 1.194 -10.900) 23.901 15.713 ( 3.388 11.418 1.279) 11.978 15.823 ( -11.203 7.899 -8.151) 15.948 18.107 ( 4.064 -2.442 2.557) 5.386 18.548 ( -0.007 6.615 19.008) 20.127 26.028 ( 0.764 -6.642 0.157) 6.687 26.390 ( -13.470 4.679 -2.949) 14.562 27.848 ( 2.091 -5.876 1.002) 6.317 28.134 ( -5.073 -4.461 -2.123) 7.081 28.218 ( -7.006 -7.529 1.415) 10.381 28.635 ( -17.429 -4.140 -7.589) 19.455 30.716 ( 12.907 4.890 -23.195) 26.991 31.569 ( 12.024 10.582 24.393) 29.181 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 10.454 -27.167 12.993) 31.877 3.657 ( 14.547 -2.410 13.824) 20.212 4.305 ( -19.090 4.624 4.571) 20.167 4.537 ( -14.380 3.019 -4.147) 15.268 4.744 ( -9.812 -9.100 -2.603) 13.633 5.264 ( 2.166 -1.811 14.762) 15.030 6.224 ( 27.984 -2.356 -9.814) 29.749 6.620 ( 9.527 -0.784 -28.798) 30.344 7.027 ( 17.290 0.555 -7.479) 18.846 7.521 ( -2.020 22.104 -12.716) 25.581 7.615 ( 0.543 1.997 2.861) 3.531 8.095 ( 3.856 -11.443 -3.494) 12.570 8.752 ( 11.423 -3.939 9.426) 15.325 9.513 ( 9.729 -2.239 2.476) 10.286 9.910 ( -16.052 4.485 0.373) 16.671 10.191 ( -0.602 -2.032 8.432) 8.694 10.351 ( -7.470 4.529 2.950) 9.221 10.483 ( -8.260 -0.710 -4.336) 9.356 10.880 ( -2.717 0.762 14.725) 14.993 11.078 ( -5.318 3.680 11.504) 13.197 12.451 ( -0.858 -5.354 17.349) 18.176 13.402 ( -28.484 -3.295 13.789) 31.817 14.567 ( 13.162 -2.472 -22.208) 25.933 15.016 ( 19.146 0.582 -13.878) 23.654 15.729 ( 0.127 3.955 -13.542) 14.108 15.761 ( -4.794 2.904 -7.689) 9.515 18.169 ( 2.386 -1.500 8.947) 9.380 18.973 ( 0.973 4.851 23.951) 24.457 25.987 ( -0.488 -2.283 2.772) 3.624 26.391 ( -13.552 3.162 -3.656) 14.388 27.755 ( 1.689 -5.042 -3.449) 6.338 27.976 ( -0.348 -4.236 -4.184) 5.964 28.264 ( -11.367 -1.926 3.200) 11.965 28.431 ( -8.976 -1.671 -9.186) 12.952 30.425 ( 8.324 1.670 -20.359) 22.059 32.041 ( 11.095 6.095 21.391) 24.856 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 9.083 -0.000 15.970) 18.372 3.888 ( 11.175 -0.000 17.556) 20.811 4.372 ( -4.437 0.000 -13.121) 13.851 4.432 ( -16.434 0.000 5.604) 17.363 4.676 ( -24.595 0.000 -0.654) 24.604 5.514 ( 1.773 -0.000 18.020) 18.107 6.035 ( 23.548 -0.000 -12.157) 26.501 6.188 ( 7.682 0.000 -26.292) 27.391 6.906 ( 18.017 -0.000 -9.999) 20.606 7.449 ( -5.249 0.000 -16.570) 17.381 7.669 ( 1.942 -0.000 2.560) 3.213 7.944 ( 7.017 -0.000 -0.606) 7.043 8.880 ( 5.139 -0.000 5.231) 7.333 9.490 ( 7.357 -0.000 -1.812) 7.577 9.975 ( -12.385 0.000 5.785) 13.669 10.332 ( 1.741 -0.000 10.202) 10.349 10.395 ( -5.554 0.000 -4.870) 7.387 10.439 ( -9.250 0.000 3.358) 9.840 11.105 ( -1.814 -0.000 13.873) 13.991 11.271 ( -3.973 -0.000 9.777) 10.554 12.755 ( -0.651 -0.000 24.534) 24.542 13.602 ( -24.776 0.000 15.293) 29.116 14.196 ( 9.261 0.000 -23.445) 25.207 14.823 ( 17.446 -0.000 -10.776) 20.506 15.512 ( 2.449 0.000 -18.241) 18.404 15.627 ( -4.670 0.000 -10.804) 11.770 18.318 ( 2.014 -0.000 11.162) 11.343 19.356 ( 1.071 -0.000 20.535) 20.563 26.034 ( -0.897 -0.000 4.399) 4.489 26.373 ( -12.331 0.000 -1.405) 12.411 27.656 ( 1.879 0.000 -4.407) 4.791 27.802 ( 0.453 0.000 -15.629) 15.636 28.208 ( -5.212 0.000 -1.467) 5.415 28.431 ( -6.941 0.000 4.697) 8.381 30.160 ( 2.824 0.000 -15.057) 15.319 32.369 ( 10.140 -0.000 15.536) 18.552 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -12.811 -12.811 3.446) 18.442 3.637 ( -11.264 -11.264 11.967) 19.924 3.862 ( -6.141 -6.141 -8.117) 11.887 4.216 ( -0.418 -0.418 10.001) 10.019 5.030 ( -4.755 -4.755 -4.192) 7.924 5.145 ( -5.069 -5.069 7.597) 10.445 6.746 ( 11.543 11.543 -11.623) 20.039 6.881 ( 12.928 12.928 -2.427) 18.444 7.269 ( 4.728 4.728 -7.851) 10.313 7.270 ( 5.143 5.143 -27.830) 28.764 7.483 ( 1.561 1.561 5.561) 5.983 8.013 ( 6.999 6.999 16.969) 19.645 9.313 ( -5.752 -5.752 -14.338) 16.485 9.355 ( -1.424 -1.424 -2.526) 3.230 9.837 ( -0.442 -0.442 7.732) 7.757 9.849 ( 5.140 5.140 17.004) 18.492 10.334 ( -1.950 -1.950 -6.799) 7.337 10.415 ( -0.962 -0.962 -0.665) 1.515 10.638 ( 0.766 0.766 9.452) 9.514 10.722 ( 1.710 1.710 14.805) 15.001 12.620 ( -11.431 -11.431 -5.681) 17.134 13.026 ( -17.597 -17.597 18.381) 30.938 15.098 ( 8.486 8.486 -26.515) 29.104 15.455 ( -1.058 -1.058 -6.500) 6.670 15.557 ( 4.785 4.785 -5.277) 8.582 15.656 ( 9.459 9.459 4.911) 14.250 18.159 ( -0.174 -0.174 0.397) 0.468 18.493 ( 4.544 4.544 20.563) 21.543 26.168 ( -3.649 -3.649 -1.778) 5.458 26.173 ( -3.879 -3.879 -1.206) 5.617 27.941 ( -3.201 -3.201 -0.583) 4.564 28.044 ( -3.199 -3.199 6.646) 8.039 28.310 ( -8.555 -8.555 -11.109) 16.425 28.502 ( -11.214 -11.214 -0.079) 15.859 30.774 ( 9.027 9.027 -25.335) 28.370 31.579 ( 12.209 12.209 25.010) 30.391 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 7.252 -39.468 9.318) 41.196 3.802 ( -37.988 3.133 9.997) 39.406 3.846 ( 4.965 -0.385 7.660) 9.137 4.344 ( -2.253 5.525 -1.352) 6.118 4.817 ( -5.036 -10.330 -9.043) 14.623 5.260 ( -6.791 -4.557 16.629) 18.531 6.572 ( 15.596 1.561 -18.836) 24.505 6.794 ( 17.057 -2.293 -22.421) 28.265 7.134 ( 0.362 22.295 -16.477) 27.725 7.242 ( 9.618 5.955 -3.367) 11.802 7.588 ( 0.217 2.432 4.274) 4.922 8.239 ( 5.228 0.078 3.017) 6.036 8.967 ( 2.988 -10.470 -6.597) 12.730 9.494 ( -5.648 7.614 8.336) 12.624 9.834 ( 2.636 -6.172 0.646) 6.742 10.190 ( -1.712 7.861 2.847) 8.534 10.233 ( 1.110 -1.871 7.566) 7.872 10.389 ( -6.830 -1.875 -1.180) 7.181 10.833 ( 0.405 3.185 12.669) 13.070 10.990 ( -1.402 1.599 15.335) 15.482 12.527 ( -2.193 -7.044 11.934) 14.030 13.128 ( -22.685 -10.465 19.196) 31.506 14.729 ( 8.377 1.932 -29.276) 30.512 15.255 ( 11.254 -3.681 -10.754) 15.996 15.563 ( -3.300 9.797 -11.397) 15.387 15.743 ( 3.582 3.770 -5.770) 7.767 18.211 ( -0.034 -1.798 8.141) 8.338 18.926 ( 4.332 6.423 24.110) 25.324 26.045 ( 0.984 -5.873 0.619) 5.986 26.183 ( -10.029 2.676 -1.598) 10.502 27.846 ( -0.420 -5.343 -5.218) 7.480 28.043 ( -1.827 -7.140 -3.902) 8.339 28.137 ( -10.553 -2.444 4.878) 11.880 28.346 ( -8.690 -4.733 -4.287) 10.784 30.493 ( 7.160 4.500 -23.272) 24.761 32.087 ( 11.469 9.848 20.890) 25.786 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 6.966 -23.697 13.042) 27.931 3.925 ( -25.150 1.669 5.672) 25.835 4.089 ( -5.942 -0.190 18.934) 19.845 4.304 ( -4.823 1.607 -9.384) 10.672 4.530 ( -7.934 -6.829 -9.916) 14.420 5.494 ( -5.612 -2.505 18.514) 19.508 6.232 ( 5.271 0.151 -26.169) 26.695 6.431 ( 23.123 -2.701 -19.251) 30.209 7.069 ( 6.794 9.594 -20.667) 23.777 7.325 ( 5.920 8.447 -2.252) 10.558 7.675 ( 0.546 1.736 2.921) 3.441 8.127 ( 6.733 -8.794 -3.940) 11.756 8.848 ( -6.902 1.671 -5.075) 8.729 9.642 ( 8.365 -5.481 -1.988) 10.197 9.839 ( -3.192 3.218 14.972) 15.643 10.205 ( -8.810 4.929 -2.247) 10.342 10.326 ( -6.927 -2.243 -0.965) 7.345 10.478 ( 8.593 0.318 13.555) 16.053 11.085 ( -0.122 2.544 13.443) 13.682 11.215 ( -1.849 0.646 12.219) 12.375 12.754 ( -0.583 -0.998 22.807) 22.836 13.312 ( -21.914 -6.199 19.940) 30.270 14.304 ( 6.050 0.420 -27.525) 28.185 15.050 ( 13.485 -1.560 -11.033) 17.493 15.472 ( -1.382 7.273 -16.181) 17.794 15.607 ( -0.082 -2.156 -11.770) 11.966 18.345 ( 0.418 -1.162 11.461) 11.527 19.352 ( 3.482 4.407 20.541) 21.295 26.031 ( -0.222 -1.264 3.540) 3.765 26.205 ( -9.095 1.883 0.488) 9.300 27.671 ( 0.459 0.170 -10.094) 10.106 27.869 ( -1.255 -9.560 -7.316) 12.104 28.123 ( -9.535 -2.145 1.223) 9.849 28.345 ( -4.415 0.366 5.522) 7.079 30.205 ( 4.035 1.209 -19.017) 19.478 32.473 ( 10.694 5.721 15.243) 19.479 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 4.930 -0.000 7.823) 9.247 3.991 ( -27.375 0.000 -1.416) 27.411 4.136 ( -3.810 0.000 -8.243) 9.080 4.321 ( -10.708 0.000 4.183) 11.496 4.475 ( -3.817 -0.000 14.448) 14.944 5.698 ( -5.689 -0.000 9.087) 10.720 5.832 ( 0.550 0.000 -25.137) 25.143 6.125 ( 19.634 -0.000 -18.157) 26.743 6.790 ( 0.372 0.000 -22.745) 22.748 7.375 ( 10.646 -0.000 1.217) 10.715 7.716 ( 1.121 -0.000 0.960) 1.475 8.003 ( 6.238 -0.000 -3.929) 7.372 8.757 ( -13.378 0.000 -9.071) 16.163 9.541 ( 7.296 -0.000 -2.721) 7.787 10.157 ( 5.827 -0.000 20.153) 20.979 10.262 ( -5.477 0.000 -2.548) 6.041 10.270 ( -11.736 0.000 3.018) 12.118 10.673 ( 11.363 -0.000 11.899) 16.453 11.281 ( 0.810 -0.000 10.032) 10.065 11.382 ( -0.910 -0.000 8.933) 8.979 13.123 ( -0.583 -0.000 23.789) 23.796 13.552 ( -18.165 0.000 16.626) 24.625 13.929 ( 2.320 0.000 -20.989) 21.117 14.887 ( 12.501 -0.000 -8.495) 15.114 15.238 ( 1.205 0.000 -20.385) 20.421 15.420 ( -3.251 0.000 -8.952) 9.524 18.508 ( 1.728 -0.000 10.268) 10.412 19.645 ( 2.885 -0.000 13.152) 13.465 26.091 ( -0.529 -0.000 4.213) 4.246 26.251 ( -8.308 0.000 4.033) 9.235 27.562 ( 1.842 0.000 -15.454) 15.563 27.609 ( 1.340 0.000 -4.505) 4.700 28.157 ( -7.487 0.000 4.415) 8.692 28.431 ( -3.621 0.000 4.210) 5.553 29.973 ( 0.145 0.000 -11.277) 11.278 32.698 ( 10.654 -0.000 8.729) 13.773 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -15.270 -15.270 10.427) 23.981 3.404 ( -16.983 -16.983 8.647) 25.527 4.132 ( 0.786 0.786 19.238) 19.270 4.238 ( 0.528 0.528 -10.097) 10.125 4.533 ( -8.688 -8.688 -13.392) 18.174 5.466 ( -5.479 -5.479 19.506) 20.988 6.265 ( 1.921 1.921 -28.464) 28.594 6.728 ( 10.087 10.087 -23.670) 27.637 6.888 ( 7.199 7.199 -17.410) 20.169 7.368 ( 10.147 10.147 0.101) 14.350 7.656 ( 1.170 1.170 3.279) 3.673 8.266 ( -0.111 -0.111 -4.486) 4.489 8.751 ( -6.785 -6.785 -10.735) 14.398 9.771 ( 4.448 4.448 16.492) 17.650 9.813 ( -1.754 -1.754 2.630) 3.616 10.066 ( 0.287 0.287 -6.404) 6.417 10.290 ( -5.236 -5.236 -0.174) 7.407 10.551 ( 4.938 4.938 15.847) 17.317 11.050 ( 3.704 3.704 12.282) 13.352 11.205 ( -1.184 -1.184 13.847) 13.948 12.759 ( -0.927 -0.927 20.596) 20.638 13.198 ( -14.625 -14.625 22.892) 30.852 14.343 ( 2.713 2.713 -29.359) 29.608 15.195 ( 1.697 1.697 -8.291) 8.631 15.366 ( 6.286 6.286 -17.604) 19.721 15.627 ( -0.331 -0.331 -12.158) 12.167 18.357 ( -1.045 -1.045 11.670) 11.763 19.344 ( 5.337 5.337 20.438) 21.787 26.062 ( -1.282 -1.282 0.642) 1.923 26.101 ( -2.354 -2.354 3.551) 4.868 27.672 ( -0.656 -0.656 -13.117) 13.150 27.986 ( -9.048 -9.048 -4.549) 13.580 28.015 ( -4.697 -4.697 3.593) 7.552 28.311 ( -1.280 -1.280 5.725) 6.004 30.226 ( 3.045 3.045 -20.341) 20.792 32.508 ( 9.286 9.286 15.151) 20.050 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 3.234 -21.758 4.753) 22.504 3.515 ( -34.352 1.375 1.449) 34.410 4.098 ( -2.010 -0.686 -6.024) 6.388 4.239 ( -8.420 -5.579 -5.309) 11.410 4.472 ( 1.481 0.694 19.895) 19.962 5.634 ( -5.666 -2.868 8.231) 10.396 5.839 ( -0.275 -0.578 -27.697) 27.705 6.399 ( 16.550 -1.512 -22.884) 28.282 6.696 ( -4.416 7.490 -24.369) 25.874 7.501 ( 12.170 5.846 2.147) 13.671 7.715 ( 0.434 1.426 1.658) 2.229 8.127 ( 4.009 -4.818 -6.657) 9.143 8.553 ( -12.894 -0.481 -9.783) 16.192 9.692 ( 6.127 -5.433 -1.112) 8.264 10.056 ( -5.138 7.702 -2.279) 9.535 10.213 ( 4.303 3.574 18.702) 19.521 10.243 ( -3.520 -3.647 6.786) 8.470 10.805 ( 6.715 0.713 12.662) 14.350 11.284 ( 2.687 3.277 10.565) 11.384 11.372 ( -0.669 -0.515 10.108) 10.143 13.101 ( -0.204 1.627 22.368) 22.428 13.387 ( -13.953 -8.427 21.416) 26.914 13.949 ( 0.666 0.022 -23.848) 23.858 15.051 ( 9.818 -1.064 -10.869) 14.685 15.195 ( -0.273 6.909 -18.211) 19.479 15.403 ( -2.810 -3.140 -10.875) 11.663 18.527 ( 0.334 -0.455 11.533) 11.547 19.666 ( 4.101 3.588 12.887) 13.991 26.081 ( -0.090 0.426 3.039) 3.070 26.161 ( -4.568 -0.766 5.606) 7.272 27.505 ( 2.249 4.942 -11.561) 12.772 27.751 ( -1.628 -11.104 -5.941) 12.698 28.045 ( -9.144 -1.831 4.944) 10.555 28.395 ( -1.534 -0.147 5.122) 5.349 29.981 ( 0.898 0.380 -13.816) 13.850 32.797 ( 9.147 5.549 9.076) 14.030 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 0.294 0.000 -9.551) 9.556 3.420 ( -31.773 0.000 -13.784) 34.634 4.077 ( -0.957 -0.000 5.389) 5.473 4.234 ( -10.768 0.000 7.454) 13.096 4.764 ( 3.336 -0.000 15.938) 16.284 5.426 ( -3.413 0.000 -24.888) 25.121 5.610 ( -7.396 0.000 -9.217) 11.818 6.048 ( 11.781 0.000 -20.045) 23.251 6.380 ( -7.823 0.000 -21.691) 23.059 7.580 ( 10.977 -0.000 2.469) 11.251 7.734 ( 1.029 -0.000 -0.447) 1.121 7.987 ( 3.354 0.000 -7.070) 7.825 8.398 ( -13.860 0.000 -10.189) 17.202 9.666 ( 12.027 -0.000 2.908) 12.373 10.171 ( -4.417 0.000 -0.033) 4.417 10.207 ( -8.782 0.000 7.987) 11.871 10.605 ( 9.363 -0.000 21.958) 23.871 10.983 ( 7.498 -0.000 10.683) 13.051 11.439 ( 2.888 -0.000 7.399) 7.943 11.504 ( 0.553 -0.000 6.811) 6.834 13.419 ( -0.164 -0.000 13.743) 13.744 13.572 ( -9.988 0.000 9.369) 13.694 13.641 ( -2.903 0.000 -15.613) 15.881 14.884 ( 4.951 0.000 -8.020) 9.425 14.961 ( -0.205 0.000 -14.790) 14.791 15.307 ( -1.521 0.000 0.194) 1.533 18.679 ( 2.635 -0.000 8.159) 8.574 19.821 ( 3.329 -0.000 3.953) 5.169 26.142 ( -0.100 -0.000 2.902) 2.904 26.239 ( -6.664 0.000 6.424) 9.256 27.425 ( 6.306 0.000 -9.012) 10.999 27.561 ( 0.637 0.000 -3.416) 3.474 28.118 ( -10.148 0.000 6.774) 12.201 28.434 ( -1.014 0.000 -0.426) 1.100 29.848 ( -1.556 0.000 -2.995) 3.375 32.929 ( 9.862 -0.000 2.824) 10.258 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( -9.536 -9.536 -12.364) 18.296 3.055 ( -11.305 -11.305 -11.740) 19.835 4.086 ( -1.231 -1.231 6.732) 6.953 4.140 ( -5.040 -5.040 6.740) 9.810 4.791 ( 1.932 1.932 16.652) 16.875 5.400 ( -1.890 -1.890 -26.492) 26.627 5.558 ( -3.733 -3.733 -10.718) 11.947 6.187 ( 3.253 3.253 -22.981) 23.437 6.270 ( -2.187 -2.187 -23.010) 23.217 7.660 ( 6.452 6.452 1.005) 9.179 7.740 ( 0.636 0.636 0.430) 0.997 8.028 ( -0.489 -0.489 -8.730) 8.757 8.279 ( -5.481 -5.481 -9.086) 11.943 9.813 ( 2.698 2.698 8.320) 9.153 10.020 ( 4.710 4.710 -0.655) 6.693 10.209 ( -6.078 -6.078 5.503) 10.207 10.671 ( 5.296 5.296 22.893) 24.087 11.034 ( 0.889 0.889 11.462) 11.531 11.469 ( 3.001 3.001 7.383) 8.516 11.500 ( 0.266 0.266 7.234) 7.244 13.395 ( 1.539 1.539 13.361) 13.537 13.522 ( -7.185 -7.185 12.702) 16.266 13.619 ( -1.718 -1.718 -17.879) 18.043 14.924 ( 2.252 2.252 -14.091) 14.447 14.956 ( 0.078 0.078 -12.687) 12.688 15.295 ( -1.070 -1.070 1.757) 2.319 18.699 ( 0.928 0.928 9.521) 9.611 19.843 ( 2.810 2.810 3.727) 5.448 26.128 ( 0.948 0.948 2.466) 2.807 26.201 ( -3.874 -3.874 5.669) 7.884 27.430 ( 7.321 7.321 -6.586) 12.271 27.632 ( -4.344 -4.344 -4.218) 7.452 28.024 ( -6.551 -6.551 7.141) 11.697 28.427 ( -0.235 -0.235 -0.098) 0.346 29.839 ( -0.674 -0.674 -4.080) 4.190 32.998 ( 5.837 5.837 3.435) 8.941 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -1.509 0.000 -22.264) 22.315 2.766 ( -21.013 0.000 -22.304) 30.643 4.229 ( 0.641 -0.000 12.793) 12.809 4.271 ( -5.100 -0.000 11.721) 12.783 4.994 ( 3.546 -0.000 7.253) 8.073 5.002 ( -4.135 0.000 -22.974) 23.343 5.209 ( -6.488 0.000 -30.728) 31.406 5.872 ( 4.063 0.000 -15.872) 16.384 5.962 ( -8.147 0.000 -16.452) 18.359 7.710 ( 4.891 -0.000 -0.240) 4.897 7.735 ( 1.245 -0.000 -1.494) 1.945 7.883 ( 0.160 0.000 -9.197) 9.199 8.104 ( -7.099 0.000 -9.138) 11.572 9.960 ( 15.831 -0.000 7.940) 17.711 10.143 ( -2.109 0.000 2.337) 3.148 10.277 ( -8.194 -0.000 17.366) 19.202 11.039 ( 6.209 -0.000 19.836) 20.785 11.216 ( 2.732 -0.000 11.872) 12.182 11.575 ( 2.358 -0.000 4.686) 5.246 11.592 ( 0.466 -0.000 3.439) 3.470 13.373 ( -3.870 0.000 -12.138) 12.740 13.468 ( 0.268 0.000 -8.713) 8.717 13.499 ( -3.911 0.000 -8.996) 9.809 14.855 ( -0.867 -0.000 3.364) 3.474 14.856 ( -0.984 -0.000 4.251) 4.364 15.378 ( 0.361 -0.000 8.843) 8.850 18.828 ( 3.289 -0.000 5.845) 6.707 19.850 ( 2.322 0.000 -5.430) 5.905 26.170 ( 0.126 -0.000 0.477) 0.493 26.219 ( -6.808 0.000 2.653) 7.307 27.459 ( 8.808 -0.000 -1.822) 8.994 27.530 ( 0.123 0.000 -1.154) 1.161 28.106 ( -8.940 0.000 10.301) 13.639 28.377 ( -0.158 0.000 -5.925) 5.927 29.854 ( -1.534 -0.000 6.449) 6.629 33.055 ( 6.921 -0.000 -1.758) 7.141 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 0.000 0.000 -29.198) 29.198 2.213 ( 0.000 0.000 -29.198) 29.198 4.438 ( -0.000 -0.000 12.939) 12.939 4.438 ( -0.000 -0.000 12.939) 12.939 4.508 ( 0.000 0.000 -52.326) 52.326 4.643 ( 0.000 0.000 -19.058) 19.058 5.064 ( 0.000 0.000 -2.049) 2.049 5.726 ( 0.000 0.000 -5.396) 5.396 5.726 ( 0.000 0.000 -5.396) 5.396 7.716 ( 0.000 0.000 -2.603) 2.603 7.716 ( 0.000 0.000 -2.603) 2.603 7.737 ( 0.000 0.000 -9.420) 9.420 7.919 ( 0.000 0.000 -8.542) 8.542 10.177 ( -0.000 -0.000 3.733) 3.733 10.177 ( -0.000 -0.000 3.733) 3.733 10.589 ( -0.000 -0.000 29.941) 29.941 11.363 ( -0.000 -0.000 16.459) 16.459 11.455 ( -0.000 -0.000 15.530) 15.530 11.613 ( 0.000 0.000 -1.148) 1.148 11.613 ( 0.000 0.000 -1.148) 1.148 13.187 ( 0.000 0.000 -8.310) 8.310 13.201 ( 0.000 0.000 -23.697) 23.697 13.201 ( 0.000 0.000 -23.697) 23.697 15.013 ( -0.000 -0.000 15.901) 15.901 15.013 ( -0.000 -0.000 15.901) 15.901 15.561 ( -0.000 -0.000 14.659) 14.659 18.932 ( -0.000 -0.000 3.513) 3.513 19.718 ( 0.000 0.000 -13.884) 13.884 26.157 ( 0.000 0.000 -2.244) 2.244 26.157 ( 0.000 0.000 -2.244) 2.244 27.533 ( -0.000 -0.000 1.433) 1.433 27.533 ( -0.000 -0.000 1.433) 1.433 28.231 ( -0.000 -0.000 14.558) 14.558 28.264 ( 0.000 0.000 -8.034) 8.034 29.988 ( -0.000 -0.000 11.846) 11.846 33.056 ( 0.000 0.000 -5.052) 5.052 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 16.173 -0.000 0.000) 16.173 3.109 ( 26.278 -0.000 0.000) 26.278 4.318 ( -2.153 0.000 -0.000) 2.153 4.786 ( -1.399 0.000 -0.000) 1.399 4.908 ( -25.922 0.000 -0.000) 25.922 4.913 ( 19.743 -0.000 0.000) 19.743 5.915 ( 32.768 -0.000 0.000) 32.768 6.946 ( 13.944 -0.000 0.000) 13.944 7.176 ( 19.074 -0.000 0.000) 19.074 7.511 ( 4.973 -0.000 0.000) 4.973 7.564 ( -0.267 0.000 -0.000) 0.267 8.261 ( 12.358 -0.000 0.000) 12.358 8.573 ( -17.616 0.000 -0.000) 17.616 9.041 ( 14.004 -0.000 0.000) 14.004 10.004 ( 3.815 -0.000 0.000) 3.815 10.239 ( -11.416 0.000 -0.000) 11.416 10.332 ( -11.450 0.000 -0.000) 11.450 10.780 ( -9.789 0.000 -0.000) 9.789 10.872 ( -12.821 0.000 -0.000) 12.821 10.873 ( -8.586 0.000 -0.000) 8.586 12.117 ( -1.836 0.000 -0.000) 1.836 13.632 ( -34.224 0.000 -0.000) 34.224 14.569 ( 20.884 -0.000 0.000) 20.884 15.050 ( 24.607 -0.000 0.000) 24.607 15.922 ( 3.482 -0.000 0.000) 3.482 16.147 ( -13.550 0.000 -0.000) 13.550 17.959 ( 7.618 -0.000 0.000) 7.618 18.519 ( -3.141 0.000 -0.000) 3.141 25.924 ( -0.992 0.000 -0.000) 0.992 26.724 ( -16.675 0.000 -0.000) 16.675 27.746 ( 2.199 -0.000 0.000) 2.199 27.976 ( -0.592 0.000 -0.000) 0.592 28.322 ( -12.242 0.000 -0.000) 12.242 28.921 ( -19.660 0.000 -0.000) 19.660 30.763 ( 22.157 -0.000 0.000) 22.157 31.344 ( 8.078 -0.000 0.000) 8.078 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 11.810 -31.220 0.000) 33.379 3.446 ( 18.654 -2.232 0.000) 18.787 4.241 ( -4.260 4.235 -0.000) 6.007 4.447 ( -35.377 2.429 -0.000) 35.460 4.825 ( -2.065 -7.878 0.000) 8.145 5.088 ( 4.833 -0.301 0.000) 4.843 6.386 ( 32.371 -2.064 0.000) 32.437 7.147 ( 12.618 -1.998 0.000) 12.776 7.439 ( 17.576 -0.698 0.000) 17.590 7.489 ( 3.443 14.360 -0.000) 14.767 7.536 ( 0.095 1.993 -0.000) 1.995 8.109 ( -3.076 16.871 -0.000) 17.150 8.732 ( 1.800 -24.903 0.000) 24.968 9.280 ( 17.356 -2.612 0.000) 17.552 9.948 ( -13.988 6.882 -0.000) 15.590 10.146 ( 1.856 -5.914 0.000) 6.199 10.157 ( -6.288 8.222 -0.000) 10.351 10.620 ( -5.149 4.591 -0.000) 6.899 10.721 ( -6.024 3.126 -0.000) 6.787 10.753 ( -9.993 1.286 -0.000) 10.075 12.183 ( -1.182 -12.388 0.000) 12.444 13.173 ( -32.383 -0.594 -0.000) 32.389 14.895 ( 17.616 -7.909 0.000) 19.310 15.357 ( 22.642 2.563 0.000) 22.786 15.866 ( -3.725 9.701 -0.000) 10.391 15.964 ( -7.962 2.729 -0.000) 8.417 18.076 ( 7.610 -1.405 0.000) 7.739 18.447 ( -3.294 3.691 -0.000) 4.947 25.942 ( -0.474 -4.385 0.000) 4.411 26.468 ( -16.206 2.936 -0.000) 16.469 27.790 ( 2.353 -1.956 0.000) 3.059 28.043 ( -0.203 -9.626 0.000) 9.629 28.152 ( -11.229 0.816 -0.000) 11.258 28.666 ( -18.958 -1.429 -0.000) 19.012 31.042 ( 19.865 2.008 0.000) 19.966 31.405 ( 7.380 6.464 0.000) 9.811 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 12.511 -0.000 8.758) 15.272 3.481 ( 18.135 -0.000 6.842) 19.382 4.281 ( -15.197 0.000 2.014) 15.330 4.552 ( -24.839 0.000 9.187) 26.483 4.713 ( -1.880 0.000 -6.839) 7.093 5.114 ( 3.922 -0.000 4.326) 5.839 6.328 ( 31.852 -0.000 -5.611) 32.343 7.070 ( 11.867 0.000 -29.710) 31.992 7.107 ( 14.354 -0.000 -3.464) 14.766 7.572 ( 0.978 -0.000 2.613) 2.790 7.821 ( 9.189 -0.000 12.517) 15.528 8.138 ( -9.711 0.000 -23.004) 24.970 8.522 ( 12.480 -0.000 11.453) 16.939 9.388 ( 14.124 -0.000 11.177) 18.011 9.988 ( -20.646 0.000 -3.208) 20.894 10.080 ( 2.185 -0.000 1.902) 2.897 10.286 ( -4.681 -0.000 6.991) 8.413 10.596 ( -7.334 0.000 -8.548) 11.263 10.720 ( -4.673 -0.000 6.990) 8.408 10.922 ( -7.515 -0.000 12.187) 14.318 12.179 ( -0.894 -0.000 10.694) 10.731 13.224 ( -31.402 0.000 7.083) 32.191 14.770 ( 16.831 -0.000 -9.225) 19.194 15.262 ( 20.503 -0.000 -13.689) 24.653 15.899 ( -11.977 0.000 -6.001) 13.396 15.914 ( 3.058 0.000 -7.036) 7.671 18.069 ( 4.818 -0.000 2.377) 5.373 18.653 ( -1.054 -0.000 20.294) 20.321 25.927 ( -0.920 -0.000 2.041) 2.238 26.466 ( -16.257 0.000 -2.816) 16.499 27.762 ( 2.380 -0.000 -2.034) 3.131 27.970 ( 0.110 0.000 -0.406) 0.421 28.190 ( -11.551 0.000 4.009) 12.227 28.580 ( -15.591 0.000 -9.375) 18.193 30.786 ( 14.507 0.000 -23.970) 28.018 31.725 ( 10.518 -0.000 24.509) 26.670 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 7.371 -42.502 0.000) 43.137 3.549 ( -18.578 1.440 -0.000) 18.633 4.007 ( -11.418 -0.571 -0.000) 11.432 4.095 ( -4.131 7.686 -0.000) 8.726 4.942 ( -0.880 -10.939 0.000) 10.975 5.069 ( -7.089 -0.339 -0.000) 7.097 6.848 ( 30.116 -1.427 0.000) 30.150 7.240 ( 1.129 25.304 -0.000) 25.329 7.336 ( 9.274 -2.874 0.000) 9.709 7.473 ( -2.024 5.296 -0.000) 5.670 7.672 ( 14.593 -0.651 0.000) 14.608 7.872 ( -1.954 12.693 -0.000) 12.842 9.135 ( 6.075 -24.173 0.000) 24.925 9.506 ( -5.348 3.209 -0.000) 6.237 9.658 ( 1.031 -0.836 0.000) 1.327 9.914 ( -5.312 14.962 -0.000) 15.877 10.317 ( 7.760 -7.362 0.000) 10.697 10.525 ( -6.245 3.963 -0.000) 7.396 10.583 ( -1.942 4.074 -0.000) 4.513 10.615 ( -1.753 4.270 -0.000) 4.616 12.414 ( -0.963 -22.379 0.000) 22.399 12.758 ( -28.697 -0.871 -0.000) 28.711 15.257 ( 13.598 -12.438 0.000) 18.428 15.599 ( -12.662 10.189 -0.000) 16.252 15.611 ( 19.405 2.791 0.000) 19.605 15.814 ( 0.921 13.432 -0.000) 13.464 18.205 ( 7.165 -2.324 0.000) 7.533 18.334 ( -2.962 6.016 -0.000) 6.706 26.039 ( 0.896 -9.178 0.000) 9.222 26.220 ( -13.401 2.511 -0.000) 13.634 27.871 ( 2.112 -5.370 0.000) 5.770 27.995 ( -8.771 1.555 -0.000) 8.907 28.213 ( -0.501 -14.947 0.000) 14.956 28.430 ( -17.704 -1.156 -0.000) 17.742 31.250 ( 16.263 4.269 0.000) 16.814 31.372 ( 6.177 11.773 -0.000) 13.295 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 8.777 -28.564 7.058) 30.704 3.624 ( -10.366 0.110 8.335) 13.302 3.905 ( -19.139 1.422 -6.322) 20.206 4.349 ( -2.911 5.379 12.692) 14.088 4.763 ( -1.540 -9.431 -5.179) 10.869 5.080 ( -8.193 -0.508 3.002) 8.740 6.768 ( 29.661 -0.883 -8.139) 30.770 7.205 ( 9.458 2.465 -28.449) 30.081 7.295 ( 11.314 -0.529 -1.374) 11.409 7.561 ( -0.230 2.669 3.145) 4.131 7.690 ( 1.680 22.946 -7.716) 24.267 8.132 ( 2.481 -2.850 6.703) 7.695 8.798 ( 9.066 -15.689 2.305) 18.266 9.563 ( -2.600 4.862 1.208) 5.644 9.693 ( -4.994 -2.760 4.368) 7.185 10.116 ( 0.871 3.604 3.602) 5.170 10.235 ( 0.621 -0.189 1.037) 1.223 10.487 ( -6.881 1.919 -7.958) 10.694 10.672 ( 0.641 1.960 10.176) 10.382 10.821 ( -4.451 2.276 12.359) 13.332 12.238 ( -0.574 -9.584 8.893) 13.087 12.825 ( -27.345 -1.770 9.526) 29.011 15.021 ( 12.510 -5.958 -12.652) 18.763 15.464 ( 8.405 2.805 -15.928) 18.227 15.747 ( -2.871 3.402 -0.720) 4.509 15.911 ( 2.592 5.888 -6.058) 8.837 18.131 ( 2.684 -0.941 -0.820) 2.960 18.626 ( 1.154 3.353 22.660) 22.935 25.948 ( -0.330 -4.670 1.504) 4.917 26.238 ( -14.090 1.573 -1.349) 14.241 27.814 ( 1.992 -2.769 -1.089) 3.581 28.021 ( -0.637 -5.488 -2.164) 5.934 28.044 ( -9.051 -1.485 3.207) 9.716 28.379 ( -14.382 -1.064 -4.673) 15.159 30.946 ( 11.327 3.185 -27.562) 29.968 31.832 ( 10.109 5.096 25.565) 27.959 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 8.525 -0.000 13.371) 15.858 3.805 ( 1.716 -0.000 15.035) 15.133 3.882 ( -32.436 0.000 1.900) 32.491 4.527 ( -2.626 0.000 -12.995) 13.257 4.538 ( -3.945 0.000 1.899) 4.378 5.202 ( -8.139 -0.000 14.879) 16.959 6.578 ( 22.625 -0.000 -16.564) 28.040 6.762 ( 13.382 0.000 -28.049) 31.078 7.272 ( 16.419 -0.000 -2.516) 16.611 7.635 ( 0.539 -0.000 3.919) 3.956 7.666 ( -6.599 0.000 -24.040) 24.929 8.055 ( 9.257 -0.000 2.015) 9.474 8.845 ( 3.980 -0.000 7.553) 8.538 9.647 ( 10.106 -0.000 -1.156) 10.172 9.686 ( -16.344 0.000 5.538) 17.257 10.190 ( 0.024 -0.000 5.541) 5.541 10.310 ( 0.118 -0.000 7.045) 7.046 10.394 ( -6.370 0.000 -6.037) 8.776 10.878 ( 1.338 -0.000 14.247) 14.309 11.035 ( -4.208 -0.000 13.130) 13.788 12.406 ( -0.365 -0.000 19.510) 19.514 12.999 ( -25.505 0.000 15.495) 29.843 14.707 ( 9.417 0.000 -23.685) 25.489 15.236 ( 10.959 -0.000 -14.727) 18.357 15.707 ( -2.178 0.000 -7.034) 7.363 15.792 ( 2.280 0.000 -13.686) 13.875 18.182 ( 0.773 -0.000 7.882) 7.919 19.028 ( 2.425 -0.000 25.129) 25.246 25.959 ( -0.770 -0.000 3.646) 3.727 26.227 ( -12.427 0.000 -1.320) 12.497 27.749 ( 2.106 0.000 -3.866) 4.402 27.937 ( -1.344 0.000 -5.078) 5.253 28.087 ( -11.421 0.000 1.887) 11.575 28.305 ( -7.671 0.000 -1.586) 7.834 30.560 ( 8.468 0.000 -25.237) 26.619 32.230 ( 10.177 -0.000 21.493) 23.781 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -16.834 -16.834 4.268) 24.186 3.138 ( -19.143 -19.143 7.483) 28.087 3.880 ( 2.539 2.539 -5.436) 6.515 4.284 ( 4.059 4.059 12.823) 14.049 4.872 ( -6.162 -6.162 -6.622) 10.944 4.970 ( -7.145 -7.145 5.210) 11.368 7.068 ( 10.731 10.731 -18.789) 24.153 7.247 ( 12.712 12.712 -4.909) 18.635 7.409 ( 5.571 5.571 -2.009) 8.131 7.424 ( 5.324 5.324 -18.879) 20.325 7.544 ( 3.534 3.534 -1.361) 5.180 8.173 ( 3.935 3.935 15.098) 16.091 9.108 ( -8.706 -8.706 -10.926) 16.461 9.278 ( -3.945 -3.945 5.838) 8.075 9.839 ( 1.009 1.009 1.628) 2.164 10.017 ( 6.739 6.739 15.723) 18.386 10.301 ( -0.410 -0.410 -8.450) 8.470 10.383 ( -1.563 -1.563 -5.451) 5.882 10.677 ( 1.876 1.876 10.482) 10.813 10.761 ( 0.926 0.926 13.278) 13.342 12.362 ( -7.237 -7.237 2.718) 10.589 12.586 ( -13.824 -13.824 15.492) 24.944 15.204 ( 0.624 0.624 -21.247) 21.266 15.422 ( -1.239 -1.239 -4.325) 4.666 15.756 ( 8.039 8.039 -7.664) 13.711 15.862 ( 5.538 5.538 -1.722) 8.019 18.158 ( 0.030 0.030 -2.588) 2.588 18.608 ( 3.570 3.570 24.041) 24.566 26.052 ( -4.523 -4.523 0.313) 6.404 26.053 ( -4.411 -4.411 0.127) 6.239 27.871 ( -1.707 -1.707 -1.050) 2.633 27.949 ( -3.349 -3.349 4.186) 6.321 28.110 ( -5.909 -5.909 -7.874) 11.482 28.251 ( -6.793 -6.793 0.976) 9.656 31.003 ( 7.185 7.185 -28.758) 30.500 31.866 ( 8.442 8.442 26.035) 28.642 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 5.488 -25.675 11.371) 28.612 3.279 ( -39.604 2.378 9.078) 40.701 3.923 ( 4.625 0.445 8.295) 9.508 4.416 ( 0.500 5.163 -6.224) 8.102 4.612 ( -4.259 -8.838 -11.183) 14.877 5.086 ( -9.378 -3.110 19.190) 21.584 6.751 ( 6.698 2.260 -29.979) 30.801 7.058 ( 24.072 -2.171 -18.611) 30.505 7.408 ( -3.043 14.904 -11.719) 19.203 7.464 ( 10.571 8.152 -7.367) 15.247 7.626 ( 0.586 2.104 3.753) 4.343 8.255 ( 4.913 -7.268 -0.189) 8.775 8.836 ( -7.829 -4.027 -7.110) 11.317 9.504 ( -3.594 3.378 18.925) 19.558 9.791 ( 2.966 -4.368 -3.025) 6.085 10.177 ( -0.679 -0.180 -5.233) 5.280 10.295 ( -5.204 0.751 -4.818) 7.132 10.354 ( 6.346 3.228 15.446) 17.008 10.894 ( 2.530 2.161 13.754) 14.151 10.985 ( -1.551 0.462 14.062) 14.155 12.434 ( -0.535 -3.978 17.450) 17.906 12.722 ( -18.629 -5.797 18.749) 27.059 14.810 ( 3.673 -0.843 -27.805) 28.060 15.317 ( 1.717 -0.091 -8.379) 8.554 15.695 ( 5.396 5.339 -11.869) 14.089 15.811 ( 1.803 1.175 -11.350) 11.553 18.189 ( -0.523 -0.813 7.191) 7.256 19.047 ( 3.532 3.004 25.640) 26.055 25.979 ( -0.155 -4.048 2.860) 4.959 26.071 ( -8.739 0.610 1.012) 8.819 27.797 ( 1.091 -2.708 -4.845) 5.657 27.927 ( -4.551 -3.454 -5.376) 7.844 27.963 ( -7.379 -2.230 0.876) 7.758 28.225 ( -4.401 -1.098 3.057) 5.470 30.643 ( 6.140 2.983 -27.264) 28.105 32.324 ( 8.161 4.774 21.558) 23.540 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 4.935 -0.000 13.005) 13.910 3.437 ( -36.899 0.000 8.804) 37.935 4.129 ( 4.216 -0.000 16.651) 17.177 4.271 ( -2.626 0.000 -14.551) 14.786 4.374 ( -7.412 0.000 -9.431) 11.995 5.387 ( -6.302 -0.000 19.999) 20.969 6.290 ( 3.067 0.000 -31.003) 31.154 6.733 ( 22.083 -0.000 -21.937) 31.127 7.181 ( -2.646 0.000 -28.342) 28.466 7.500 ( 11.702 -0.000 2.718) 12.014 7.695 ( 0.322 -0.000 2.933) 2.950 8.155 ( 6.458 -0.000 -3.216) 7.215 8.705 ( -14.177 0.000 -9.187) 16.893 9.690 ( 4.918 -0.000 -3.993) 6.335 9.874 ( 2.989 -0.000 24.627) 24.807 10.131 ( -4.514 0.000 -1.406) 4.727 10.232 ( -5.664 0.000 -3.989) 6.927 10.601 ( 7.483 -0.000 14.379) 16.209 11.121 ( 2.502 -0.000 13.246) 13.480 11.197 ( -1.492 -0.000 12.866) 12.952 12.741 ( -0.320 -0.000 24.259) 24.261 12.990 ( -17.223 0.000 21.780) 27.767 14.364 ( 2.553 0.000 -29.211) 29.322 15.186 ( 7.402 -0.000 -8.435) 11.223 15.552 ( 0.163 0.000 -13.087) 13.088 15.564 ( 1.280 0.000 -19.140) 19.182 18.336 ( -0.479 -0.000 12.014) 12.023 19.430 ( 3.517 -0.000 20.904) 21.198 26.014 ( -0.503 -0.000 4.593) 4.621 26.102 ( -6.818 0.000 2.522) 7.269 27.704 ( 1.419 0.000 -5.082) 5.276 27.760 ( -2.360 0.000 -11.024) 11.274 27.979 ( -9.035 0.000 2.626) 9.409 28.299 ( -2.412 -0.000 6.488) 6.922 30.275 ( 4.061 0.000 -22.841) 23.199 32.645 ( 8.276 -0.000 15.791) 17.828 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -9.808 -9.808 11.427) 17.971 2.998 ( -11.103 -11.103 11.144) 19.255 4.167 ( 1.353 1.353 16.529) 16.639 4.240 ( -0.280 -0.280 -13.570) 13.576 4.326 ( -5.778 -5.778 -12.827) 15.208 5.341 ( -3.250 -3.250 20.944) 21.442 6.312 ( 1.318 1.318 -32.441) 32.495 6.990 ( 7.929 7.929 -26.444) 28.723 7.050 ( 4.271 4.271 -24.636) 25.365 7.604 ( 6.489 6.489 2.186) 9.433 7.686 ( 0.888 0.888 2.888) 3.149 8.240 ( -1.556 -1.556 -4.458) 4.972 8.561 ( -6.228 -6.228 -9.517) 12.967 9.737 ( -1.779 -1.779 -2.691) 3.684 9.897 ( 3.018 3.018 26.938) 27.274 10.104 ( 2.065 2.065 -4.748) 5.574 10.180 ( -2.744 -2.744 -2.472) 4.601 10.658 ( 2.479 2.479 13.794) 14.233 11.141 ( 2.539 2.539 13.479) 13.949 11.183 ( -0.421 -0.421 13.220) 13.234 12.742 ( -0.373 -0.373 23.227) 23.233 12.864 ( -8.848 -8.848 23.818) 26.905 14.381 ( 0.400 0.400 -29.961) 29.966 15.242 ( 1.507 1.507 -5.066) 5.496 15.520 ( 4.279 4.279 -19.008) 19.948 15.602 ( -1.160 -1.160 -16.873) 16.953 18.333 ( -0.641 -0.641 12.244) 12.278 19.454 ( 2.615 2.615 20.989) 21.312 26.025 ( -1.182 -1.182 3.537) 3.912 26.036 ( -1.968 -1.968 4.525) 5.312 27.689 ( 1.536 1.536 -8.938) 9.198 27.791 ( -4.778 -4.778 -5.010) 8.412 27.896 ( -3.755 -3.755 1.345) 5.478 28.282 ( -0.784 -0.784 6.900) 6.989 30.304 ( 2.222 2.222 -23.998) 24.203 32.702 ( 4.712 4.712 16.001) 17.333 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 1.678 -0.000 3.662) 4.029 3.123 ( -21.674 0.000 2.465) 21.813 4.065 ( -1.269 0.000 -6.770) 6.888 4.099 ( -5.784 0.000 -5.983) 8.322 4.501 ( 1.370 -0.000 21.449) 21.493 5.551 ( -3.089 -0.000 8.029) 8.603 5.831 ( -0.225 0.000 -30.843) 30.844 6.586 ( 10.999 0.000 -27.577) 29.689 6.693 ( -3.704 0.000 -28.841) 29.077 7.681 ( 7.498 -0.000 2.106) 7.788 7.733 ( 0.241 -0.000 1.625) 1.643 8.134 ( 1.421 0.000 -6.540) 6.692 8.387 ( -8.372 0.000 -9.238) 12.467 9.720 ( 2.114 -0.000 3.111) 3.761 10.090 ( 0.452 -0.000 -0.388) 0.595 10.127 ( -3.150 0.000 -1.501) 3.490 10.331 ( 4.229 -0.000 26.100) 26.440 10.857 ( 0.961 -0.000 11.645) 11.685 11.346 ( 3.036 -0.000 10.842) 11.259 11.371 ( -0.137 -0.000 10.852) 10.853 13.112 ( -0.226 -0.000 23.817) 23.818 13.166 ( -7.946 -0.000 23.061) 24.392 13.949 ( -0.269 0.000 -25.959) 25.961 15.165 ( 7.376 0.000 -10.466) 12.804 15.259 ( 0.353 0.000 -21.620) 21.622 15.318 ( -4.166 0.000 -10.528) 11.322 18.526 ( -0.042 -0.000 12.894) 12.894 19.735 ( 2.460 -0.000 12.987) 13.218 26.081 ( -0.185 -0.000 4.577) 4.581 26.098 ( -2.714 -0.000 4.626) 5.363 27.616 ( 2.680 0.000 -7.457) 7.924 27.638 ( 0.596 0.000 -5.207) 5.241 27.901 ( -8.288 0.000 3.242) 8.899 28.378 ( -0.660 -0.000 5.596) 5.634 30.001 ( 0.972 0.000 -16.589) 16.618 32.935 ( 5.016 -0.000 9.970) 11.160 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( 0.000 0.000 -12.696) 12.696 2.892 ( 0.000 0.000 -12.696) 12.696 4.067 ( -0.000 -0.000 7.341) 7.341 4.067 ( -0.000 -0.000 7.341) 7.341 4.821 ( -0.000 -0.000 17.641) 17.641 5.371 ( 0.000 0.000 -28.274) 28.274 5.507 ( 0.000 0.000 -11.620) 11.620 6.236 ( 0.000 0.000 -25.897) 25.897 6.236 ( 0.000 0.000 -25.897) 25.897 7.751 ( -0.000 -0.000 0.329) 0.329 7.751 ( -0.000 -0.000 0.329) 0.329 8.021 ( 0.000 0.000 -8.496) 8.496 8.196 ( 0.000 0.000 -9.191) 9.191 9.873 ( -0.000 -0.000 14.393) 14.393 10.101 ( -0.000 -0.000 0.853) 0.853 10.101 ( -0.000 -0.000 0.853) 0.853 10.746 ( -0.000 -0.000 23.751) 23.751 11.030 ( -0.000 -0.000 11.924) 11.924 11.512 ( -0.000 -0.000 7.449) 7.449 11.512 ( -0.000 -0.000 7.449) 7.449 13.417 ( -0.000 -0.000 14.271) 14.271 13.417 ( -0.000 -0.000 14.271) 14.271 13.593 ( 0.000 0.000 -19.679) 19.679 14.957 ( 0.000 0.000 -15.976) 15.976 14.957 ( 0.000 0.000 -15.976) 15.976 15.278 ( -0.000 -0.000 4.346) 4.346 18.712 ( -0.000 -0.000 10.907) 10.907 19.882 ( -0.000 -0.000 3.746) 3.746 26.141 ( -0.000 -0.000 3.197) 3.197 26.141 ( -0.000 -0.000 3.197) 3.197 27.570 ( 0.000 0.000 -3.851) 3.851 27.570 ( 0.000 0.000 -3.851) 3.851 27.898 ( -0.000 -0.000 6.492) 6.492 28.423 ( -0.000 -0.000 0.197) 0.197 29.832 ( 0.000 0.000 -5.351) 5.351 33.080 ( -0.000 -0.000 4.283) 4.283 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 9.858 -0.000 0.000) 9.858 3.562 ( -9.785 0.000 -0.000) 9.785 4.010 ( -18.735 0.000 -0.000) 18.735 4.217 ( -3.537 0.000 -0.000) 3.537 4.750 ( -1.085 0.000 -0.000) 1.085 5.066 ( -6.932 0.000 -0.000) 6.932 6.824 ( 32.134 -0.000 0.000) 32.134 7.294 ( 10.176 -0.000 0.000) 10.176 7.533 ( -1.104 0.000 -0.000) 1.104 7.666 ( 15.177 -0.000 0.000) 15.177 7.674 ( 5.609 -0.000 0.000) 5.609 8.185 ( -9.922 0.000 -0.000) 9.922 8.591 ( 10.946 -0.000 0.000) 10.946 9.518 ( 18.976 -0.000 0.000) 18.976 9.699 ( -24.876 0.000 -0.000) 24.876 10.162 ( -2.510 0.000 -0.000) 2.510 10.197 ( 8.505 -0.000 0.000) 8.505 10.607 ( -9.934 0.000 -0.000) 9.934 10.614 ( -1.816 0.000 -0.000) 1.816 10.688 ( -2.496 0.000 -0.000) 2.496 12.086 ( -0.466 0.000 -0.000) 0.466 12.748 ( -28.226 0.000 -0.000) 28.226 15.060 ( 14.072 -0.000 0.000) 14.072 15.657 ( 18.287 -0.000 0.000) 18.287 15.741 ( -14.771 0.000 -0.000) 14.771 16.007 ( 2.553 -0.000 0.000) 2.553 18.171 ( 7.303 -0.000 0.000) 7.303 18.427 ( -3.145 0.000 -0.000) 3.145 25.900 ( -0.739 0.000 -0.000) 0.739 26.260 ( -15.681 0.000 -0.000) 15.681 27.812 ( 2.351 -0.000 0.000) 2.351 27.977 ( 0.535 -0.000 0.000) 0.535 28.016 ( -8.836 0.000 -0.000) 8.836 28.415 ( -16.282 0.000 -0.000) 16.282 31.310 ( 16.454 -0.000 0.000) 16.454 31.542 ( 5.929 -0.000 0.000) 5.929 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 6.069 -28.277 0.000) 28.921 3.112 ( -39.928 2.531 -0.000) 40.008 4.022 ( 8.020 -1.090 0.000) 8.094 4.141 ( -2.381 4.917 -0.000) 5.463 4.795 ( -0.610 -7.883 0.000) 7.906 4.930 ( -11.272 -0.132 -0.000) 11.273 7.255 ( 29.101 0.057 0.000) 29.101 7.421 ( 6.740 -1.221 0.000) 6.849 7.495 ( -0.860 3.903 -0.000) 3.997 7.602 ( 2.191 18.668 -0.000) 18.796 7.848 ( 10.996 -0.113 0.000) 10.997 7.994 ( -3.001 8.810 -0.000) 9.307 8.903 ( 7.245 -20.964 0.000) 22.180 9.310 ( -24.806 4.768 -0.000) 25.260 9.798 ( 17.291 -2.846 0.000) 17.524 10.047 ( -2.769 11.546 -0.000) 11.874 10.334 ( 6.034 -4.372 0.000) 7.452 10.470 ( -7.541 1.628 -0.000) 7.715 10.611 ( 1.550 0.411 0.000) 1.604 10.646 ( -0.864 2.444 -0.000) 2.592 12.166 ( -0.179 -11.947 0.000) 11.948 12.400 ( -21.628 -0.151 -0.000) 21.629 15.278 ( 9.600 -7.289 0.000) 12.053 15.516 ( -12.312 4.833 -0.000) 13.227 15.867 ( 13.305 1.265 0.000) 13.365 15.988 ( 1.906 7.141 -0.000) 7.391 18.272 ( 5.926 -1.251 0.000) 6.057 18.364 ( -2.373 3.449 -0.000) 4.187 25.933 ( -0.187 -5.991 0.000) 5.994 26.061 ( -11.800 0.517 -0.000) 11.811 27.849 ( 1.698 -1.587 0.000) 2.325 27.912 ( -5.244 0.795 -0.000) 5.304 28.050 ( 0.508 -8.635 0.000) 8.650 28.209 ( -13.311 0.065 -0.000) 13.311 31.491 ( 11.704 2.237 0.000) 11.916 31.570 ( 4.280 6.126 -0.000) 7.473 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 6.348 -0.000 7.431) 9.773 3.177 ( -39.918 0.000 5.904) 40.353 3.903 ( 5.078 -0.000 -5.089) 7.189 4.394 ( 2.393 -0.000 16.873) 17.042 4.671 ( -1.077 0.000 -8.379) 8.448 4.921 ( -13.008 0.000 0.793) 13.032 7.143 ( 22.625 -0.000 -15.479) 27.413 7.357 ( 11.222 0.000 -24.140) 26.621 7.425 ( 7.435 -0.000 1.620) 7.610 7.584 ( 1.557 -0.000 2.298) 2.776 7.935 ( -4.307 0.000 -16.958) 17.496 8.082 ( 7.380 -0.000 11.628) 13.772 8.788 ( 4.414 -0.000 5.729) 7.232 9.360 ( -20.454 0.000 3.820) 20.807 9.788 ( 11.576 -0.000 0.071) 11.576 10.193 ( 4.168 -0.000 7.656) 8.717 10.250 ( 2.258 0.000 -4.784) 5.290 10.403 ( -6.749 0.000 -6.684) 9.499 10.713 ( 2.499 -0.000 11.140) 11.417 10.783 ( -2.631 -0.000 12.226) 12.506 12.167 ( -0.119 -0.000 10.887) 10.888 12.475 ( -20.919 0.000 9.700) 23.059 15.122 ( 7.686 0.000 -14.076) 16.038 15.464 ( -6.711 0.000 -9.379) 11.533 15.845 ( 9.892 -0.000 -4.466) 10.854 15.982 ( 1.758 0.000 -7.269) 7.478 18.151 ( 1.127 0.000 -3.695) 3.863 18.671 ( 2.001 -0.000 25.066) 25.146 25.906 ( -0.533 -0.000 1.996) 2.066 26.066 ( -11.356 0.000 0.292) 11.360 27.824 ( 1.824 -0.000 -2.249) 2.896 27.927 ( -6.191 0.000 1.099) 6.288 27.973 ( -0.818 0.000 -2.062) 2.218 28.201 ( -10.324 0.000 -0.597) 10.342 31.103 ( 7.862 0.000 -29.549) 30.577 31.990 ( 7.662 -0.000 26.219) 27.316 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -11.512 -11.512 6.161) 17.408 2.681 ( -12.616 -12.616 6.947) 19.146 3.942 ( 1.706 1.706 -5.377) 5.894 4.405 ( 4.399 4.399 16.464) 17.600 4.719 ( -4.319 -4.319 -8.332) 10.331 4.774 ( -6.524 -6.524 0.903) 9.270 7.294 ( 5.298 5.298 -28.789) 29.748 7.470 ( 3.512 3.512 -1.302) 5.134 7.505 ( 1.024 1.024 -0.399) 1.502 7.659 ( 11.594 11.594 -4.655) 17.045 7.732 ( 8.685 8.685 -13.023) 17.901 8.200 ( -2.323 -2.323 10.616) 11.113 8.854 ( -8.840 -8.840 -9.116) 15.472 9.170 ( -3.100 -3.100 16.492) 17.065 9.890 ( 2.268 2.268 -6.688) 7.417 10.199 ( 5.788 5.788 13.207) 15.538 10.303 ( 0.345 0.345 -6.220) 6.239 10.328 ( -2.122 -2.122 -6.233) 6.918 10.728 ( 1.542 1.542 11.163) 11.374 10.766 ( -0.541 -0.541 12.181) 12.205 12.214 ( -3.480 -3.480 8.717) 10.010 12.279 ( -7.925 -7.925 12.315) 16.651 15.196 ( -0.654 -0.654 -18.462) 18.486 15.392 ( -0.848 -0.848 -2.785) 3.033 15.940 ( 4.756 4.756 -7.767) 10.274 15.972 ( 2.555 2.555 -5.933) 6.946 18.159 ( 0.057 0.057 -4.842) 4.843 18.684 ( 1.865 1.865 25.919) 26.053 25.943 ( -3.022 -3.022 1.521) 4.536 25.944 ( -3.069 -3.069 1.513) 4.597 27.847 ( -0.126 -0.126 -1.568) 1.579 27.875 ( -1.776 -1.776 -0.239) 2.522 27.980 ( -3.479 -3.479 -5.626) 7.474 28.116 ( -3.114 -3.114 3.880) 5.869 31.158 ( 3.858 3.858 -30.141) 30.631 32.043 ( 4.308 4.308 26.434) 27.128 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 2.911 -0.000 12.078) 12.424 2.830 ( -25.392 0.000 10.920) 27.640 3.975 ( 2.113 -0.000 8.007) 8.281 4.476 ( -0.962 0.000 -14.543) 14.574 4.482 ( -1.518 0.000 -11.390) 11.491 4.950 ( -5.805 -0.000 24.864) 25.533 6.833 ( 3.027 0.000 -33.633) 33.769 7.342 ( 16.871 -0.000 -17.993) 24.665 7.475 ( -1.901 0.000 -10.673) 10.841 7.660 ( 5.728 0.000 -10.089) 11.602 7.662 ( 2.947 -0.000 1.297) 3.220 8.231 ( 0.701 -0.000 1.612) 1.758 8.659 ( -10.567 0.000 -8.329) 13.455 9.504 ( 0.290 -0.000 26.016) 26.018 9.790 ( 0.447 0.000 -6.261) 6.277 10.188 ( 2.187 0.000 -5.527) 5.944 10.236 ( -3.845 0.000 -5.335) 6.576 10.468 ( 5.257 -0.000 13.826) 14.792 10.944 ( 1.811 -0.000 14.184) 14.299 10.964 ( -1.126 -0.000 14.531) 14.575 12.401 ( -0.063 -0.000 19.343) 19.343 12.475 ( -10.591 -0.000 18.819) 21.594 14.831 ( 0.541 0.000 -27.597) 27.603 15.324 ( -0.033 0.000 -5.092) 5.092 15.809 ( 4.514 0.000 -13.209) 13.959 15.836 ( 0.816 0.000 -14.093) 14.117 18.176 ( -0.513 -0.000 6.562) 6.582 19.107 ( 2.117 -0.000 26.280) 26.365 25.944 ( -0.279 -0.000 3.654) 3.665 25.977 ( -4.911 0.000 2.937) 5.722 27.793 ( 0.927 0.000 -4.221) 4.322 27.833 ( -4.585 0.000 -4.496) 6.422 27.886 ( -2.523 0.000 -2.742) 3.726 28.176 ( -1.773 -0.000 5.932) 6.191 30.731 ( 3.321 0.000 -28.829) 29.019 32.444 ( 4.348 -0.000 21.870) 22.299 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -0.000 -0.000 12.061) 12.061 2.837 ( -0.000 -0.000 12.061) 12.061 4.196 ( -0.000 -0.000 18.232) 18.232 4.234 ( 0.000 0.000 -15.040) 15.040 4.234 ( 0.000 0.000 -15.040) 15.040 5.295 ( -0.000 -0.000 21.579) 21.579 6.331 ( 0.000 0.000 -33.861) 33.861 7.112 ( 0.000 0.000 -27.863) 27.863 7.112 ( 0.000 0.000 -27.863) 27.863 7.700 ( -0.000 -0.000 2.319) 2.319 7.700 ( -0.000 -0.000 2.319) 2.319 8.210 ( 0.000 0.000 -3.021) 3.021 8.462 ( 0.000 0.000 -8.139) 8.139 9.713 ( 0.000 0.000 -2.380) 2.380 9.940 ( -0.000 -0.000 28.320) 28.320 10.141 ( 0.000 0.000 -3.472) 3.472 10.141 ( 0.000 0.000 -3.472) 3.472 10.690 ( -0.000 -0.000 11.418) 11.418 11.178 ( -0.000 -0.000 13.862) 13.862 11.178 ( -0.000 -0.000 13.862) 13.862 12.737 ( -0.000 -0.000 24.086) 24.086 12.737 ( -0.000 -0.000 24.086) 24.086 14.384 ( 0.000 0.000 -30.056) 30.056 15.266 ( 0.000 0.000 -2.895) 2.895 15.582 ( 0.000 0.000 -19.528) 19.528 15.582 ( 0.000 0.000 -19.528) 19.528 18.324 ( -0.000 -0.000 12.456) 12.456 19.490 ( -0.000 -0.000 21.163) 21.163 26.007 ( -0.000 -0.000 4.670) 4.670 26.007 ( -0.000 -0.000 4.670) 4.670 27.725 ( 0.000 0.000 -5.373) 5.373 27.725 ( 0.000 0.000 -5.373) 5.373 27.830 ( 0.000 0.000 -1.334) 1.334 28.270 ( -0.000 -0.000 7.241) 7.241 30.336 ( 0.000 0.000 -25.072) 25.072 32.767 ( -0.000 -0.000 16.315) 16.315 ======================= 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 5.25e-05 5.25e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 3.278 -0.000 0.000) 3.278 2.643 ( -27.437 0.000 -0.000) 27.437 4.113 ( 5.174 -0.000 0.000) 5.174 4.155 ( -0.874 0.000 -0.000) 0.874 4.729 ( -0.373 0.000 -0.000) 0.373 4.787 ( -8.162 0.000 -0.000) 8.162 7.481 ( 3.280 -0.000 0.000) 3.280 7.508 ( -0.553 0.000 -0.000) 0.553 7.627 ( 22.718 -0.000 0.000) 22.718 7.794 ( 2.483 -0.000 0.000) 2.483 7.959 ( 4.958 -0.000 0.000) 4.958 8.008 ( -3.127 0.000 -0.000) 3.127 8.827 ( 5.038 -0.000 0.000) 5.038 9.020 ( -19.982 0.000 -0.000) 19.982 10.002 ( 13.582 -0.000 0.000) 13.582 10.118 ( -0.943 0.000 -0.000) 0.943 10.351 ( 0.705 -0.000 0.000) 0.705 10.380 ( -5.082 0.000 -0.000) 5.082 10.637 ( 1.688 -0.000 0.000) 1.688 10.653 ( -0.478 0.000 -0.000) 0.478 12.082 ( -0.000 0.000 -0.000) 0.000 12.165 ( -11.811 0.000 -0.000) 11.811 15.327 ( 4.935 -0.000 0.000) 4.935 15.412 ( -7.139 0.000 -0.000) 7.139 16.016 ( 6.868 -0.000 0.000) 6.868 16.057 ( 0.941 -0.000 0.000) 0.941 18.329 ( 3.362 -0.000 0.000) 3.362 18.362 ( -1.315 0.000 -0.000) 1.315 25.885 ( -0.271 0.000 -0.000) 0.271 25.931 ( -6.735 0.000 -0.000) 6.735 27.862 ( 1.044 -0.000 0.000) 1.044 27.874 ( -1.303 0.000 -0.000) 1.303 27.993 ( 0.395 -0.000 0.000) 0.395 28.059 ( -8.335 0.000 -0.000) 8.335 31.631 ( 6.088 -0.000 0.000) 6.088 31.658 ( 2.222 -0.000 0.000) 2.222 ======================= Grid point 711 (126/126) ======================= 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 5.25e-05 5.25e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -0.000 -0.000 7.065) 7.065 2.497 ( -0.000 -0.000 7.065) 7.065 3.967 ( 0.000 0.000 -5.424) 5.424 4.492 ( -0.000 -0.000 26.051) 26.051 4.656 ( 0.000 0.000 -8.969) 8.969 4.656 ( 0.000 0.000 -8.969) 8.969 7.366 ( 0.000 0.000 -32.201) 32.201 7.516 ( -0.000 -0.000 0.990) 0.990 7.516 ( -0.000 -0.000 0.990) 0.990 7.887 ( 0.000 0.000 -12.169) 12.169 7.887 ( 0.000 0.000 -12.169) 12.169 8.104 ( -0.000 -0.000 12.852) 12.852 8.704 ( 0.000 0.000 -8.579) 8.579 9.126 ( -0.000 -0.000 21.775) 21.775 9.930 ( 0.000 0.000 -10.760) 10.760 10.292 ( 0.000 0.000 -5.405) 5.405 10.292 ( 0.000 0.000 -5.405) 5.405 10.310 ( -0.000 -0.000 13.183) 13.183 10.751 ( -0.000 -0.000 11.446) 11.446 10.751 ( -0.000 -0.000 11.446) 11.446 12.166 ( -0.000 -0.000 10.854) 10.854 12.166 ( -0.000 -0.000 10.854) 10.854 15.185 ( 0.000 0.000 -17.810) 17.810 15.379 ( 0.000 0.000 -2.201) 2.201 16.007 ( 0.000 0.000 -7.375) 7.375 16.007 ( 0.000 0.000 -7.375) 7.375 18.160 ( 0.000 0.000 -5.683) 5.683 18.710 ( -0.000 -0.000 26.483) 26.483 25.899 ( -0.000 -0.000 1.983) 1.983 25.899 ( -0.000 -0.000 1.983) 1.983 27.851 ( 0.000 0.000 -2.353) 2.353 27.851 ( 0.000 0.000 -2.353) 2.353 27.927 ( 0.000 0.000 -4.274) 4.274 28.073 ( -0.000 -0.000 5.449) 5.449 31.212 ( 0.000 0.000 -30.522) 30.522 32.103 ( -0.000 -0.000 26.540) 26.540 =================== 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 4664.420 4664.420 16386.694 -0.000 -0.000 -0.000 3/47916 20.0 4844.010 4844.010 6119.936 -0.000 -0.000 -0.000 3/47916 30.0 1865.182 1865.182 1996.737 -0.000 -0.000 -0.000 3/47916 40.0 927.871 927.871 911.539 -0.000 -0.000 -0.000 3/47916 50.0 558.808 558.808 522.039 -0.000 -0.000 -0.000 3/47916 60.0 367.859 367.859 337.911 -0.000 -0.000 -0.000 3/47916 70.0 257.606 257.606 236.402 -0.000 -0.000 -0.000 3/47916 80.0 190.152 190.152 175.319 -0.000 -0.000 -0.000 3/47916 90.0 146.787 146.787 136.180 -0.000 -0.000 -0.000 3/47916 100.0 117.596 117.596 109.781 -0.000 -0.000 -0.000 3/47916 110.0 97.114 97.114 91.186 -0.000 -0.000 -0.000 3/47916 120.0 82.208 82.208 77.594 -0.000 -0.000 -0.000 3/47916 130.0 71.011 71.011 67.341 -0.000 -0.000 -0.000 3/47916 140.0 62.367 62.367 59.394 -0.000 -0.000 -0.000 3/47916 150.0 55.535 55.535 53.090 -0.000 -0.000 -0.000 3/47916 160.0 50.022 50.022 47.987 -0.000 -0.000 -0.000 3/47916 170.0 45.495 45.495 43.785 -0.000 -0.000 -0.000 3/47916 180.0 41.719 41.719 40.270 -0.000 -0.000 -0.000 3/47916 190.0 38.527 38.527 37.291 -0.000 -0.000 -0.000 3/47916 200.0 35.795 35.795 34.737 -0.000 -0.000 -0.000 3/47916 210.0 33.433 33.433 32.525 -0.000 -0.000 -0.000 3/47916 220.0 31.371 31.371 30.590 -0.000 -0.000 -0.000 3/47916 230.0 29.556 29.556 28.884 -0.000 -0.000 -0.000 3/47916 240.0 27.946 27.946 27.369 -0.000 -0.000 -0.000 3/47916 250.0 26.509 26.509 26.015 -0.000 -0.000 -0.000 3/47916 260.0 25.218 25.218 24.797 -0.000 -0.000 -0.000 3/47916 270.0 24.053 24.053 23.696 -0.000 -0.000 -0.000 3/47916 280.0 22.994 22.994 22.695 -0.000 -0.000 -0.000 3/47916 290.0 22.029 22.029 21.781 -0.000 -0.000 -0.000 3/47916 300.0 21.146 21.146 20.943 -0.000 -0.000 -0.000 3/47916 310.0 20.334 20.334 20.171 -0.000 -0.000 -0.000 3/47916 320.0 19.584 19.584 19.459 -0.000 -0.000 -0.000 3/47916 330.0 18.891 18.891 18.799 -0.000 -0.000 -0.000 3/47916 340.0 18.247 18.247 18.186 -0.000 -0.000 -0.000 3/47916 350.0 17.648 17.648 17.614 -0.000 -0.000 -0.000 3/47916 360.0 17.089 17.089 17.079 -0.000 -0.000 -0.000 3/47916 370.0 16.565 16.565 16.578 -0.000 -0.000 -0.000 3/47916 380.0 16.074 16.074 16.108 -0.000 -0.000 -0.000 3/47916 390.0 15.613 15.613 15.665 -0.000 -0.000 -0.000 3/47916 400.0 15.179 15.179 15.248 -0.000 -0.000 -0.000 3/47916 410.0 14.769 14.769 14.853 -0.000 -0.000 -0.000 3/47916 420.0 14.381 14.381 14.480 -0.000 -0.000 -0.000 3/47916 430.0 14.015 14.015 14.126 -0.000 -0.000 -0.000 3/47916 440.0 13.667 13.667 13.790 -0.000 -0.000 -0.000 3/47916 450.0 13.337 13.337 13.471 -0.000 -0.000 -0.000 3/47916 460.0 13.023 13.023 13.166 -0.000 -0.000 -0.000 3/47916 470.0 12.724 12.724 12.876 -0.000 -0.000 -0.000 3/47916 480.0 12.438 12.438 12.599 -0.000 -0.000 -0.000 3/47916 490.0 12.166 12.166 12.334 -0.000 -0.000 -0.000 3/47916 500.0 11.906 11.906 12.081 -0.000 -0.000 -0.000 3/47916 510.0 11.657 11.657 11.838 -0.000 -0.000 -0.000 3/47916 520.0 11.419 11.419 11.605 -0.000 -0.000 -0.000 3/47916 530.0 11.191 11.191 11.381 -0.000 -0.000 -0.000 3/47916 540.0 10.971 10.971 11.167 -0.000 -0.000 -0.000 3/47916 550.0 10.761 10.761 10.960 -0.000 -0.000 -0.000 3/47916 560.0 10.558 10.558 10.761 -0.000 -0.000 -0.000 3/47916 570.0 10.364 10.364 10.570 -0.000 -0.000 -0.000 3/47916 580.0 10.176 10.176 10.385 -0.000 -0.000 -0.000 3/47916 590.0 9.996 9.996 10.207 -0.000 -0.000 -0.000 3/47916 600.0 9.822 9.822 10.035 -0.000 -0.000 -0.000 3/47916 610.0 9.654 9.654 9.869 -0.000 -0.000 -0.000 3/47916 620.0 9.491 9.491 9.709 -0.000 -0.000 -0.000 3/47916 630.0 9.335 9.335 9.554 -0.000 -0.000 -0.000 3/47916 640.0 9.183 9.183 9.404 -0.000 -0.000 -0.000 3/47916 650.0 9.037 9.037 9.258 -0.000 -0.000 -0.000 3/47916 660.0 8.895 8.895 9.117 -0.000 -0.000 -0.000 3/47916 670.0 8.757 8.757 8.981 -0.000 -0.000 -0.000 3/47916 680.0 8.624 8.624 8.848 -0.000 -0.000 -0.000 3/47916 690.0 8.495 8.495 8.719 -0.000 -0.000 -0.000 3/47916 700.0 8.370 8.370 8.595 -0.000 -0.000 -0.000 3/47916 710.0 8.248 8.248 8.473 -0.000 -0.000 -0.000 3/47916 720.0 8.131 8.131 8.356 -0.000 -0.000 -0.000 3/47916 730.0 8.016 8.016 8.241 -0.000 -0.000 -0.000 3/47916 740.0 7.905 7.905 8.130 -0.000 -0.000 -0.000 3/47916 750.0 7.796 7.796 8.021 -0.000 -0.000 -0.000 3/47916 760.0 7.691 7.691 7.916 -0.000 -0.000 -0.000 3/47916 770.0 7.589 7.589 7.813 -0.000 -0.000 -0.000 3/47916 780.0 7.489 7.489 7.713 -0.000 -0.000 -0.000 3/47916 790.0 7.392 7.392 7.615 -0.000 -0.000 -0.000 3/47916 800.0 7.298 7.298 7.520 -0.000 -0.000 -0.000 3/47916 810.0 7.206 7.206 7.428 -0.000 -0.000 -0.000 3/47916 820.0 7.116 7.116 7.337 -0.000 -0.000 -0.000 3/47916 830.0 7.028 7.028 7.249 -0.000 -0.000 -0.000 3/47916 840.0 6.943 6.943 7.163 -0.000 -0.000 -0.000 3/47916 850.0 6.860 6.860 7.079 -0.000 -0.000 -0.000 3/47916 860.0 6.778 6.778 6.997 -0.000 -0.000 -0.000 3/47916 870.0 6.699 6.699 6.917 -0.000 -0.000 -0.000 3/47916 880.0 6.621 6.621 6.838 -0.000 -0.000 -0.000 3/47916 890.0 6.546 6.546 6.762 -0.000 -0.000 -0.000 3/47916 900.0 6.472 6.472 6.687 -0.000 -0.000 -0.000 3/47916 910.0 6.399 6.399 6.614 -0.000 -0.000 -0.000 3/47916 920.0 6.329 6.329 6.542 -0.000 -0.000 -0.000 3/47916 930.0 6.260 6.260 6.472 -0.000 -0.000 -0.000 3/47916 940.0 6.192 6.192 6.403 -0.000 -0.000 -0.000 3/47916 950.0 6.126 6.126 6.336 -0.000 -0.000 -0.000 3/47916 960.0 6.061 6.061 6.271 -0.000 -0.000 -0.000 3/47916 970.0 5.998 5.998 6.206 -0.000 -0.000 -0.000 3/47916 980.0 5.936 5.936 6.143 -0.000 -0.000 -0.000 3/47916 990.0 5.875 5.875 6.081 -0.000 -0.000 -0.000 3/47916 1000.0 5.815 5.815 6.021 -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 20:20:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|