----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:25:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.670236880049145 -4.412790790000000 0.000000000000000 b 4.670236880049145 4.412790790000000 0.000000000000000 c -3.156327606039226 0.000000000000000 8.308115769935171 Atomic positions (fractional): *1 B 0.71655393169077 0.28344606830923 0.75000000000000 10.811 2 B 0.28344606830923 0.71655393169077 0.25000000000000 10.811 *3 P 0.59019111963766 0.14721157246852 0.85353948016286 30.974 4 P 0.85278842753148 0.40980888036234 0.64646051983714 30.974 5 P 0.14721157246852 0.59019111963766 0.35353948016286 30.974 6 P 0.40980888036234 0.85278842753148 0.14646051983714 30.974 *7 K 0.34959574077340 0.65040425922660 0.75000000000000 39.098 8 K 0.65040425922660 0.34959574077340 0.25000000000000 39.098 *9 K 0.74738911688055 0.84907605789463 0.51814198440020 39.098 10 K 0.15092394210537 0.25261088311945 0.98185801559980 39.098 11 K 0.25261088311945 0.15092394210537 0.48185801559980 39.098 12 K 0.84907605789463 0.74738911688055 0.01814198440020 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.340473760098289 0.000000000000000 0.000000000000000 b 0.000000000000000 8.825581580000000 0.000000000000000 c -3.156327606039226 0.000000000000000 8.308115769935171 Atomic positions (fractional): *1 B 0.00000000000000 0.28344606830923 0.75000000000000 10.811 > 1 2 B 0.00000000000000 0.71655393169077 0.25000000000000 10.811 > 2 3 B 0.50000000000000 0.78344606830923 0.75000000000000 10.811 > 1 4 B 0.50000000000000 0.21655393169077 0.25000000000000 10.811 > 2 *5 P 0.86870134605309 0.27851022641543 0.85353948016286 30.974 > 3 6 P 0.13129865394691 0.27851022641543 0.64646051983714 30.974 > 4 7 P 0.86870134605309 0.72148977358457 0.35353948016286 30.974 > 5 8 P 0.13129865394691 0.72148977358457 0.14646051983714 30.974 > 6 9 P 0.36870134605309 0.77851022641543 0.85353948016286 30.974 > 3 10 P 0.63129865394691 0.77851022641543 0.64646051983714 30.974 > 4 11 P 0.36870134605309 0.22148977358457 0.35353948016286 30.974 > 5 12 P 0.63129865394691 0.22148977358457 0.14646051983714 30.974 > 6 *13 K 0.00000000000000 0.65040425922660 0.75000000000000 39.098 > 7 14 K 0.00000000000000 0.34959574077340 0.25000000000000 39.098 > 8 *15 K 0.29823258738759 0.55084347050704 0.51814198440020 39.098 > 9 16 K 0.70176741261241 0.55084347050704 0.98185801559980 39.098 > 10 17 K 0.70176741261241 0.44915652949296 0.48185801559980 39.098 > 11 18 K 0.29823258738759 0.44915652949296 0.01814198440020 39.098 > 12 19 K 0.50000000000000 0.15040425922660 0.75000000000000 39.098 > 7 20 K 0.50000000000000 0.84959574077340 0.25000000000000 39.098 > 8 21 K 0.79823258738759 0.05084347050704 0.51814198440020 39.098 > 9 22 K 0.20176741261241 0.05084347050704 0.98185801559980 39.098 > 10 23 K 0.20176741261241 0.94915652949296 0.48185801559980 39.098 > 11 24 K 0.79823258738759 0.94915652949296 0.01814198440020 39.098 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.340473760098289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.651163159999999 0.000000000000000 c -6.312655212078452 0.000000000000000 16.616231539870341 Atomic positions (fractional): *1 B 0.00000000000000 0.14172303415461 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.64172303415461 0.37500000000000 10.811 > 1 3 B 0.00000000000000 0.14172303415461 0.87500000000000 10.811 > 1 4 B 0.00000000000000 0.64172303415461 0.87500000000000 10.811 > 1 5 B 0.00000000000000 0.35827696584539 0.12500000000000 10.811 > 2 6 B 0.00000000000000 0.85827696584539 0.12500000000000 10.811 > 2 7 B 0.00000000000000 0.35827696584539 0.62500000000000 10.811 > 2 8 B 0.00000000000000 0.85827696584539 0.62500000000000 10.811 > 2 9 B 0.50000000000000 0.39172303415461 0.37500000000000 10.811 > 1 10 B 0.50000000000000 0.89172303415461 0.37500000000000 10.811 > 1 11 B 0.50000000000000 0.39172303415461 0.87500000000000 10.811 > 1 12 B 0.50000000000000 0.89172303415461 0.87500000000000 10.811 > 1 13 B 0.50000000000000 0.10827696584539 0.12500000000000 10.811 > 2 14 B 0.50000000000000 0.60827696584539 0.12500000000000 10.811 > 2 15 B 0.50000000000000 0.10827696584539 0.62500000000000 10.811 > 2 16 B 0.50000000000000 0.60827696584539 0.62500000000000 10.811 > 2 *17 P 0.86870134605309 0.13925511320771 0.42676974008143 30.974 > 3 18 P 0.86870134605309 0.63925511320771 0.42676974008143 30.974 > 3 19 P 0.86870134605309 0.13925511320771 0.92676974008143 30.974 > 3 20 P 0.86870134605309 0.63925511320771 0.92676974008143 30.974 > 3 21 P 0.13129865394691 0.13925511320771 0.32323025991857 30.974 > 4 22 P 0.13129865394691 0.63925511320771 0.32323025991857 30.974 > 4 23 P 0.13129865394691 0.13925511320771 0.82323025991857 30.974 > 4 24 P 0.13129865394691 0.63925511320771 0.82323025991857 30.974 > 4 25 P 0.86870134605309 0.36074488679229 0.17676974008143 30.974 > 5 26 P 0.86870134605309 0.86074488679229 0.17676974008143 30.974 > 5 27 P 0.86870134605309 0.36074488679229 0.67676974008143 30.974 > 5 28 P 0.86870134605309 0.86074488679229 0.67676974008143 30.974 > 5 29 P 0.13129865394691 0.36074488679229 0.07323025991857 30.974 > 6 30 P 0.13129865394691 0.86074488679229 0.07323025991857 30.974 > 6 31 P 0.13129865394691 0.36074488679229 0.57323025991857 30.974 > 6 32 P 0.13129865394691 0.86074488679229 0.57323025991857 30.974 > 6 33 P 0.36870134605309 0.38925511320771 0.42676974008143 30.974 > 3 34 P 0.36870134605309 0.88925511320771 0.42676974008143 30.974 > 3 35 P 0.36870134605309 0.38925511320771 0.92676974008143 30.974 > 3 36 P 0.36870134605309 0.88925511320771 0.92676974008143 30.974 > 3 37 P 0.63129865394691 0.38925511320771 0.32323025991857 30.974 > 4 38 P 0.63129865394691 0.88925511320771 0.32323025991857 30.974 > 4 39 P 0.63129865394691 0.38925511320771 0.82323025991857 30.974 > 4 40 P 0.63129865394691 0.88925511320771 0.82323025991857 30.974 > 4 41 P 0.36870134605309 0.11074488679229 0.17676974008143 30.974 > 5 42 P 0.36870134605309 0.61074488679229 0.17676974008143 30.974 > 5 43 P 0.36870134605309 0.11074488679229 0.67676974008143 30.974 > 5 44 P 0.36870134605309 0.61074488679229 0.67676974008143 30.974 > 5 45 P 0.63129865394691 0.11074488679229 0.07323025991857 30.974 > 6 46 P 0.63129865394691 0.61074488679229 0.07323025991857 30.974 > 6 47 P 0.63129865394691 0.11074488679229 0.57323025991857 30.974 > 6 48 P 0.63129865394691 0.61074488679229 0.57323025991857 30.974 > 6 *49 K 0.00000000000000 0.32520212961330 0.37500000000000 39.098 > 7 50 K 0.00000000000000 0.82520212961330 0.37500000000000 39.098 > 7 51 K 0.00000000000000 0.32520212961330 0.87500000000000 39.098 > 7 52 K 0.00000000000000 0.82520212961330 0.87500000000000 39.098 > 7 53 K 0.00000000000000 0.17479787038670 0.12500000000000 39.098 > 8 54 K 0.00000000000000 0.67479787038670 0.12500000000000 39.098 > 8 55 K 0.00000000000000 0.17479787038670 0.62500000000000 39.098 > 8 56 K 0.00000000000000 0.67479787038670 0.62500000000000 39.098 > 8 *57 K 0.29823258738759 0.27542173525352 0.25907099220010 39.098 > 9 58 K 0.29823258738759 0.77542173525352 0.25907099220010 39.098 > 9 59 K 0.29823258738759 0.27542173525352 0.75907099220010 39.098 > 9 60 K 0.29823258738759 0.77542173525352 0.75907099220010 39.098 > 9 61 K 0.70176741261241 0.27542173525352 0.49092900779990 39.098 > 10 62 K 0.70176741261241 0.77542173525352 0.49092900779990 39.098 > 10 63 K 0.70176741261241 0.27542173525352 0.99092900779990 39.098 > 10 64 K 0.70176741261241 0.77542173525352 0.99092900779990 39.098 > 10 65 K 0.70176741261241 0.22457826474648 0.24092900779990 39.098 > 11 66 K 0.70176741261241 0.72457826474648 0.24092900779990 39.098 > 11 67 K 0.70176741261241 0.22457826474648 0.74092900779990 39.098 > 11 68 K 0.70176741261241 0.72457826474648 0.74092900779990 39.098 > 11 69 K 0.29823258738759 0.22457826474648 0.00907099220010 39.098 > 12 70 K 0.29823258738759 0.72457826474648 0.00907099220010 39.098 > 12 71 K 0.29823258738759 0.22457826474648 0.50907099220010 39.098 > 12 72 K 0.29823258738759 0.72457826474648 0.50907099220010 39.098 > 12 73 K 0.50000000000000 0.07520212961330 0.37500000000000 39.098 > 7 74 K 0.50000000000000 0.57520212961330 0.37500000000000 39.098 > 7 75 K 0.50000000000000 0.07520212961330 0.87500000000000 39.098 > 7 76 K 0.50000000000000 0.57520212961330 0.87500000000000 39.098 > 7 77 K 0.50000000000000 0.42479787038670 0.12500000000000 39.098 > 8 78 K 0.50000000000000 0.92479787038670 0.12500000000000 39.098 > 8 79 K 0.50000000000000 0.42479787038670 0.62500000000000 39.098 > 8 80 K 0.50000000000000 0.92479787038670 0.62500000000000 39.098 > 8 81 K 0.79823258738759 0.02542173525352 0.25907099220010 39.098 > 9 82 K 0.79823258738759 0.52542173525352 0.25907099220010 39.098 > 9 83 K 0.79823258738759 0.02542173525352 0.75907099220010 39.098 > 9 84 K 0.79823258738759 0.52542173525352 0.75907099220010 39.098 > 9 85 K 0.20176741261241 0.02542173525352 0.49092900779990 39.098 > 10 86 K 0.20176741261241 0.52542173525352 0.49092900779990 39.098 > 10 87 K 0.20176741261241 0.02542173525352 0.99092900779990 39.098 > 10 88 K 0.20176741261241 0.52542173525352 0.99092900779990 39.098 > 10 89 K 0.20176741261241 0.47457826474648 0.24092900779990 39.098 > 11 90 K 0.20176741261241 0.97457826474648 0.24092900779990 39.098 > 11 91 K 0.20176741261241 0.47457826474648 0.74092900779990 39.098 > 11 92 K 0.20176741261241 0.97457826474648 0.74092900779990 39.098 > 11 93 K 0.79823258738759 0.47457826474648 0.00907099220010 39.098 > 12 94 K 0.79823258738759 0.97457826474648 0.00907099220010 39.098 > 12 95 K 0.79823258738759 0.47457826474648 0.50907099220010 39.098 > 12 96 K 0.79823258738759 0.97457826474648 0.50907099220010 39.098 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5128415 0.0000000 -0.9760340 0.0000000 3.6831975 0.0000000 -0.9760355 0.0000000 4.2568455 -------------------------- Born effective charges -------------------------- 1 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 2 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 3 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 4 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 5 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 6 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 7 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 8 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 9 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 10 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 11 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 12 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1376 Number of blocks in projector: 1376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1376, 1349), data: False |-- (176, 172), data: True |-- (176, 172), data: True |-- (176, 172), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (304, 297), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.524 Solver_block: 200 / 400 - Time: 1.556 Solver_block: 300 / 400 - Time: 1.553 Solver_block: 400 / 400 - Time: 1.554 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.217 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1376 Number of blocks in projector: 1376 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 272 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1376, 1349), data: False |-- (176, 172), data: True |-- (176, 172), data: True |-- (176, 172), data: True |-- (272, 268), data: True |-- (272, 268), data: True |-- (304, 297), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:25:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.670236880049145 -4.412790790000000 0.000000000000000 b 4.670236880049145 4.412790790000000 0.000000000000000 c -3.156327606039226 0.000000000000000 8.308115769935171 Atomic positions (fractional): 1 B 0.71655393169077 0.28344606830923 0.75000000000000 10.811 2 B 0.28344606830923 0.71655393169077 0.25000000000000 10.811 3 P 0.59019111963766 0.14721157246852 0.85353948016286 30.974 4 P 0.85278842753148 0.40980888036234 0.64646051983714 30.974 5 P 0.14721157246852 0.59019111963766 0.35353948016286 30.974 6 P 0.40980888036234 0.85278842753148 0.14646051983714 30.974 7 K 0.34959574077340 0.65040425922660 0.75000000000000 39.098 8 K 0.65040425922660 0.34959574077340 0.25000000000000 39.098 9 K 0.74738911688055 0.84907605789463 0.51814198440020 39.098 10 K 0.15092394210537 0.25261088311945 0.98185801559980 39.098 11 K 0.25261088311945 0.15092394210537 0.48185801559980 39.098 12 K 0.84907605789463 0.74738911688055 0.01814198440020 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.340473760098289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.651163159999999 0.000000000000000 c -6.312655212078452 0.000000000000000 16.616231539870341 Atomic positions (fractional): 1 B 0.00000000000000 0.14172303415461 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.64172303415461 0.37500000000000 10.811 > 1 3 B 0.00000000000000 0.14172303415461 0.87500000000000 10.811 > 1 4 B 0.00000000000000 0.64172303415461 0.87500000000000 10.811 > 1 5 B 0.00000000000000 0.35827696584539 0.12500000000000 10.811 > 5 6 B 0.00000000000000 0.85827696584539 0.12500000000000 10.811 > 5 7 B 0.00000000000000 0.35827696584539 0.62500000000000 10.811 > 5 8 B 0.00000000000000 0.85827696584539 0.62500000000000 10.811 > 5 9 B 0.50000000000000 0.39172303415461 0.37500000000000 10.811 > 1 10 B 0.50000000000000 0.89172303415461 0.37500000000000 10.811 > 1 11 B 0.50000000000000 0.39172303415461 0.87500000000000 10.811 > 1 12 B 0.50000000000000 0.89172303415461 0.87500000000000 10.811 > 1 13 B 0.50000000000000 0.10827696584539 0.12500000000000 10.811 > 5 14 B 0.50000000000000 0.60827696584539 0.12500000000000 10.811 > 5 15 B 0.50000000000000 0.10827696584539 0.62500000000000 10.811 > 5 16 B 0.50000000000000 0.60827696584539 0.62500000000000 10.811 > 5 17 P 0.86870134605309 0.13925511320771 0.42676974008143 30.974 > 17 18 P 0.86870134605309 0.63925511320771 0.42676974008143 30.974 > 17 19 P 0.86870134605309 0.13925511320771 0.92676974008143 30.974 > 17 20 P 0.86870134605309 0.63925511320771 0.92676974008143 30.974 > 17 21 P 0.13129865394691 0.13925511320771 0.32323025991857 30.974 > 21 22 P 0.13129865394691 0.63925511320771 0.32323025991857 30.974 > 21 23 P 0.13129865394691 0.13925511320771 0.82323025991857 30.974 > 21 24 P 0.13129865394691 0.63925511320771 0.82323025991857 30.974 > 21 25 P 0.86870134605309 0.36074488679229 0.17676974008143 30.974 > 25 26 P 0.86870134605309 0.86074488679229 0.17676974008143 30.974 > 25 27 P 0.86870134605309 0.36074488679229 0.67676974008143 30.974 > 25 28 P 0.86870134605309 0.86074488679229 0.67676974008143 30.974 > 25 29 P 0.13129865394691 0.36074488679229 0.07323025991857 30.974 > 29 30 P 0.13129865394691 0.86074488679229 0.07323025991857 30.974 > 29 31 P 0.13129865394691 0.36074488679229 0.57323025991857 30.974 > 29 32 P 0.13129865394691 0.86074488679229 0.57323025991857 30.974 > 29 33 P 0.36870134605309 0.38925511320771 0.42676974008143 30.974 > 17 34 P 0.36870134605309 0.88925511320771 0.42676974008143 30.974 > 17 35 P 0.36870134605309 0.38925511320771 0.92676974008143 30.974 > 17 36 P 0.36870134605309 0.88925511320771 0.92676974008143 30.974 > 17 37 P 0.63129865394691 0.38925511320771 0.32323025991857 30.974 > 21 38 P 0.63129865394691 0.88925511320771 0.32323025991857 30.974 > 21 39 P 0.63129865394691 0.38925511320771 0.82323025991857 30.974 > 21 40 P 0.63129865394691 0.88925511320771 0.82323025991857 30.974 > 21 41 P 0.36870134605309 0.11074488679229 0.17676974008143 30.974 > 25 42 P 0.36870134605309 0.61074488679229 0.17676974008143 30.974 > 25 43 P 0.36870134605309 0.11074488679229 0.67676974008143 30.974 > 25 44 P 0.36870134605309 0.61074488679229 0.67676974008143 30.974 > 25 45 P 0.63129865394691 0.11074488679229 0.07323025991857 30.974 > 29 46 P 0.63129865394691 0.61074488679229 0.07323025991857 30.974 > 29 47 P 0.63129865394691 0.11074488679229 0.57323025991857 30.974 > 29 48 P 0.63129865394691 0.61074488679229 0.57323025991857 30.974 > 29 49 K 0.00000000000000 0.32520212961330 0.37500000000000 39.098 > 49 50 K 0.00000000000000 0.82520212961330 0.37500000000000 39.098 > 49 51 K 0.00000000000000 0.32520212961330 0.87500000000000 39.098 > 49 52 K 0.00000000000000 0.82520212961330 0.87500000000000 39.098 > 49 53 K 0.00000000000000 0.17479787038670 0.12500000000000 39.098 > 53 54 K 0.00000000000000 0.67479787038670 0.12500000000000 39.098 > 53 55 K 0.00000000000000 0.17479787038670 0.62500000000000 39.098 > 53 56 K 0.00000000000000 0.67479787038670 0.62500000000000 39.098 > 53 57 K 0.29823258738759 0.27542173525352 0.25907099220010 39.098 > 57 58 K 0.29823258738759 0.77542173525352 0.25907099220010 39.098 > 57 59 K 0.29823258738759 0.27542173525352 0.75907099220010 39.098 > 57 60 K 0.29823258738759 0.77542173525352 0.75907099220010 39.098 > 57 61 K 0.70176741261241 0.27542173525352 0.49092900779990 39.098 > 61 62 K 0.70176741261241 0.77542173525352 0.49092900779990 39.098 > 61 63 K 0.70176741261241 0.27542173525352 0.99092900779990 39.098 > 61 64 K 0.70176741261241 0.77542173525352 0.99092900779990 39.098 > 61 65 K 0.70176741261241 0.22457826474648 0.24092900779990 39.098 > 65 66 K 0.70176741261241 0.72457826474648 0.24092900779990 39.098 > 65 67 K 0.70176741261241 0.22457826474648 0.74092900779990 39.098 > 65 68 K 0.70176741261241 0.72457826474648 0.74092900779990 39.098 > 65 69 K 0.29823258738759 0.22457826474648 0.00907099220010 39.098 > 69 70 K 0.29823258738759 0.72457826474648 0.00907099220010 39.098 > 69 71 K 0.29823258738759 0.22457826474648 0.50907099220010 39.098 > 69 72 K 0.29823258738759 0.72457826474648 0.50907099220010 39.098 > 69 73 K 0.50000000000000 0.07520212961330 0.37500000000000 39.098 > 49 74 K 0.50000000000000 0.57520212961330 0.37500000000000 39.098 > 49 75 K 0.50000000000000 0.07520212961330 0.87500000000000 39.098 > 49 76 K 0.50000000000000 0.57520212961330 0.87500000000000 39.098 > 49 77 K 0.50000000000000 0.42479787038670 0.12500000000000 39.098 > 53 78 K 0.50000000000000 0.92479787038670 0.12500000000000 39.098 > 53 79 K 0.50000000000000 0.42479787038670 0.62500000000000 39.098 > 53 80 K 0.50000000000000 0.92479787038670 0.62500000000000 39.098 > 53 81 K 0.79823258738759 0.02542173525352 0.25907099220010 39.098 > 57 82 K 0.79823258738759 0.52542173525352 0.25907099220010 39.098 > 57 83 K 0.79823258738759 0.02542173525352 0.75907099220010 39.098 > 57 84 K 0.79823258738759 0.52542173525352 0.75907099220010 39.098 > 57 85 K 0.20176741261241 0.02542173525352 0.49092900779990 39.098 > 61 86 K 0.20176741261241 0.52542173525352 0.49092900779990 39.098 > 61 87 K 0.20176741261241 0.02542173525352 0.99092900779990 39.098 > 61 88 K 0.20176741261241 0.52542173525352 0.99092900779990 39.098 > 61 89 K 0.20176741261241 0.47457826474648 0.24092900779990 39.098 > 65 90 K 0.20176741261241 0.97457826474648 0.24092900779990 39.098 > 65 91 K 0.20176741261241 0.47457826474648 0.74092900779990 39.098 > 65 92 K 0.20176741261241 0.97457826474648 0.74092900779990 39.098 > 65 93 K 0.79823258738759 0.47457826474648 0.00907099220010 39.098 > 69 94 K 0.79823258738759 0.97457826474648 0.00907099220010 39.098 > 69 95 K 0.79823258738759 0.47457826474648 0.50907099220010 39.098 > 69 96 K 0.79823258738759 0.97457826474648 0.50907099220010 39.098 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5128415 0.0000000 -0.9760340 0.0000000 3.6831975 0.0000000 -0.9760355 0.0000000 4.2568455 -------------------------- Born effective charges -------------------------- 1 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 2 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 3 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 4 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 5 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 6 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 7 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 8 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 9 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 10 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 11 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 12 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) 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 23:26:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:26:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.670236880049145 -4.412790790000000 0.000000000000000 b 4.670236880049145 4.412790790000000 0.000000000000000 c -3.156327606039226 0.000000000000000 8.308115769935171 Atomic positions (fractional): 1 B 0.71655393169077 0.28344606830923 0.75000000000000 10.811 2 B 0.28344606830923 0.71655393169077 0.25000000000000 10.811 3 P 0.59019111963766 0.14721157246852 0.85353948016286 30.974 4 P 0.85278842753148 0.40980888036234 0.64646051983714 30.974 5 P 0.14721157246852 0.59019111963766 0.35353948016286 30.974 6 P 0.40980888036234 0.85278842753148 0.14646051983714 30.974 7 K 0.34959574077340 0.65040425922660 0.75000000000000 39.098 8 K 0.65040425922660 0.34959574077340 0.25000000000000 39.098 9 K 0.74738911688055 0.84907605789463 0.51814198440020 39.098 10 K 0.15092394210537 0.25261088311945 0.98185801559980 39.098 11 K 0.25261088311945 0.15092394210537 0.48185801559980 39.098 12 K 0.84907605789463 0.74738911688055 0.01814198440020 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.340473760098289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.651163159999999 0.000000000000000 c -6.312655212078452 0.000000000000000 16.616231539870341 Atomic positions (fractional): 1 B 0.00000000000000 0.14172303415461 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.64172303415461 0.37500000000000 10.811 > 1 3 B 0.00000000000000 0.14172303415461 0.87500000000000 10.811 > 1 4 B 0.00000000000000 0.64172303415461 0.87500000000000 10.811 > 1 5 B 0.00000000000000 0.35827696584539 0.12500000000000 10.811 > 5 6 B 0.00000000000000 0.85827696584539 0.12500000000000 10.811 > 5 7 B 0.00000000000000 0.35827696584539 0.62500000000000 10.811 > 5 8 B 0.00000000000000 0.85827696584539 0.62500000000000 10.811 > 5 9 B 0.50000000000000 0.39172303415461 0.37500000000000 10.811 > 1 10 B 0.50000000000000 0.89172303415461 0.37500000000000 10.811 > 1 11 B 0.50000000000000 0.39172303415461 0.87500000000000 10.811 > 1 12 B 0.50000000000000 0.89172303415461 0.87500000000000 10.811 > 1 13 B 0.50000000000000 0.10827696584539 0.12500000000000 10.811 > 5 14 B 0.50000000000000 0.60827696584539 0.12500000000000 10.811 > 5 15 B 0.50000000000000 0.10827696584539 0.62500000000000 10.811 > 5 16 B 0.50000000000000 0.60827696584539 0.62500000000000 10.811 > 5 17 P 0.86870134605309 0.13925511320771 0.42676974008143 30.974 > 17 18 P 0.86870134605309 0.63925511320771 0.42676974008143 30.974 > 17 19 P 0.86870134605309 0.13925511320771 0.92676974008143 30.974 > 17 20 P 0.86870134605309 0.63925511320771 0.92676974008143 30.974 > 17 21 P 0.13129865394691 0.13925511320771 0.32323025991857 30.974 > 21 22 P 0.13129865394691 0.63925511320771 0.32323025991857 30.974 > 21 23 P 0.13129865394691 0.13925511320771 0.82323025991857 30.974 > 21 24 P 0.13129865394691 0.63925511320771 0.82323025991857 30.974 > 21 25 P 0.86870134605309 0.36074488679229 0.17676974008143 30.974 > 25 26 P 0.86870134605309 0.86074488679229 0.17676974008143 30.974 > 25 27 P 0.86870134605309 0.36074488679229 0.67676974008143 30.974 > 25 28 P 0.86870134605309 0.86074488679229 0.67676974008143 30.974 > 25 29 P 0.13129865394691 0.36074488679229 0.07323025991857 30.974 > 29 30 P 0.13129865394691 0.86074488679229 0.07323025991857 30.974 > 29 31 P 0.13129865394691 0.36074488679229 0.57323025991857 30.974 > 29 32 P 0.13129865394691 0.86074488679229 0.57323025991857 30.974 > 29 33 P 0.36870134605309 0.38925511320771 0.42676974008143 30.974 > 17 34 P 0.36870134605309 0.88925511320771 0.42676974008143 30.974 > 17 35 P 0.36870134605309 0.38925511320771 0.92676974008143 30.974 > 17 36 P 0.36870134605309 0.88925511320771 0.92676974008143 30.974 > 17 37 P 0.63129865394691 0.38925511320771 0.32323025991857 30.974 > 21 38 P 0.63129865394691 0.88925511320771 0.32323025991857 30.974 > 21 39 P 0.63129865394691 0.38925511320771 0.82323025991857 30.974 > 21 40 P 0.63129865394691 0.88925511320771 0.82323025991857 30.974 > 21 41 P 0.36870134605309 0.11074488679229 0.17676974008143 30.974 > 25 42 P 0.36870134605309 0.61074488679229 0.17676974008143 30.974 > 25 43 P 0.36870134605309 0.11074488679229 0.67676974008143 30.974 > 25 44 P 0.36870134605309 0.61074488679229 0.67676974008143 30.974 > 25 45 P 0.63129865394691 0.11074488679229 0.07323025991857 30.974 > 29 46 P 0.63129865394691 0.61074488679229 0.07323025991857 30.974 > 29 47 P 0.63129865394691 0.11074488679229 0.57323025991857 30.974 > 29 48 P 0.63129865394691 0.61074488679229 0.57323025991857 30.974 > 29 49 K 0.00000000000000 0.32520212961330 0.37500000000000 39.098 > 49 50 K 0.00000000000000 0.82520212961330 0.37500000000000 39.098 > 49 51 K 0.00000000000000 0.32520212961330 0.87500000000000 39.098 > 49 52 K 0.00000000000000 0.82520212961330 0.87500000000000 39.098 > 49 53 K 0.00000000000000 0.17479787038670 0.12500000000000 39.098 > 53 54 K 0.00000000000000 0.67479787038670 0.12500000000000 39.098 > 53 55 K 0.00000000000000 0.17479787038670 0.62500000000000 39.098 > 53 56 K 0.00000000000000 0.67479787038670 0.62500000000000 39.098 > 53 57 K 0.29823258738759 0.27542173525352 0.25907099220010 39.098 > 57 58 K 0.29823258738759 0.77542173525352 0.25907099220010 39.098 > 57 59 K 0.29823258738759 0.27542173525352 0.75907099220010 39.098 > 57 60 K 0.29823258738759 0.77542173525352 0.75907099220010 39.098 > 57 61 K 0.70176741261241 0.27542173525352 0.49092900779990 39.098 > 61 62 K 0.70176741261241 0.77542173525352 0.49092900779990 39.098 > 61 63 K 0.70176741261241 0.27542173525352 0.99092900779990 39.098 > 61 64 K 0.70176741261241 0.77542173525352 0.99092900779990 39.098 > 61 65 K 0.70176741261241 0.22457826474648 0.24092900779990 39.098 > 65 66 K 0.70176741261241 0.72457826474648 0.24092900779990 39.098 > 65 67 K 0.70176741261241 0.22457826474648 0.74092900779990 39.098 > 65 68 K 0.70176741261241 0.72457826474648 0.74092900779990 39.098 > 65 69 K 0.29823258738759 0.22457826474648 0.00907099220010 39.098 > 69 70 K 0.29823258738759 0.72457826474648 0.00907099220010 39.098 > 69 71 K 0.29823258738759 0.22457826474648 0.50907099220010 39.098 > 69 72 K 0.29823258738759 0.72457826474648 0.50907099220010 39.098 > 69 73 K 0.50000000000000 0.07520212961330 0.37500000000000 39.098 > 49 74 K 0.50000000000000 0.57520212961330 0.37500000000000 39.098 > 49 75 K 0.50000000000000 0.07520212961330 0.87500000000000 39.098 > 49 76 K 0.50000000000000 0.57520212961330 0.87500000000000 39.098 > 49 77 K 0.50000000000000 0.42479787038670 0.12500000000000 39.098 > 53 78 K 0.50000000000000 0.92479787038670 0.12500000000000 39.098 > 53 79 K 0.50000000000000 0.42479787038670 0.62500000000000 39.098 > 53 80 K 0.50000000000000 0.92479787038670 0.62500000000000 39.098 > 53 81 K 0.79823258738759 0.02542173525352 0.25907099220010 39.098 > 57 82 K 0.79823258738759 0.52542173525352 0.25907099220010 39.098 > 57 83 K 0.79823258738759 0.02542173525352 0.75907099220010 39.098 > 57 84 K 0.79823258738759 0.52542173525352 0.75907099220010 39.098 > 57 85 K 0.20176741261241 0.02542173525352 0.49092900779990 39.098 > 61 86 K 0.20176741261241 0.52542173525352 0.49092900779990 39.098 > 61 87 K 0.20176741261241 0.02542173525352 0.99092900779990 39.098 > 61 88 K 0.20176741261241 0.52542173525352 0.99092900779990 39.098 > 61 89 K 0.20176741261241 0.47457826474648 0.24092900779990 39.098 > 65 90 K 0.20176741261241 0.97457826474648 0.24092900779990 39.098 > 65 91 K 0.20176741261241 0.47457826474648 0.74092900779990 39.098 > 65 92 K 0.20176741261241 0.97457826474648 0.74092900779990 39.098 > 65 93 K 0.79823258738759 0.47457826474648 0.00907099220010 39.098 > 69 94 K 0.79823258738759 0.97457826474648 0.00907099220010 39.098 > 69 95 K 0.79823258738759 0.47457826474648 0.50907099220010 39.098 > 69 96 K 0.79823258738759 0.97457826474648 0.50907099220010 39.098 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5128415 0.0000000 -0.9760340 0.0000000 3.6831975 0.0000000 -0.9760355 0.0000000 4.2568455 -------------------------- Born effective charges -------------------------- 1 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 2 B 2.6624389 0.0000000 -2.0157776 0.0000000 -0.9512407 0.0000000 -1.9835185 0.0000000 0.2294466 3 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 4 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 5 P -2.9554751 0.1210203 0.9620263 0.0217440 -1.1860445 0.0040781 0.9377490 -0.0425089 -1.7566878 6 P -2.9554751 -0.1210203 0.9620263 -0.0217440 -1.1860445 -0.0040781 0.9377490 0.0425089 -1.7566878 7 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 8 K 1.3013047 0.0000000 -0.1450360 0.0000000 1.0801295 0.0000000 -0.0747958 0.0000000 1.2254976 9 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 10 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 11 K 0.9736032 0.0304728 0.1183805 0.0357929 1.1216001 0.0572891 0.0914081 0.0769518 1.0292157 12 K 0.9736032 -0.0304728 0.1183805 -0.0357929 1.1216001 -0.0572891 0.0914081 -0.0769518 1.0292157 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xyx) 0.00000001 (xyx) 0.00000001 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] 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: 0.59, Number of G-points: 309, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.053 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.006 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.727 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.686 ( 0.000 0.000 0.000) 0.000 11.103 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 33.264 ( 0.000 0.000 0.000) 0.000 33.421 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 3.905 -11.824 9.418) 15.613 0.387 ( 5.977 -19.389 6.470) 21.296 0.817 ( 17.171 -32.237 20.996) 42.130 1.892 ( -13.070 3.881 6.918) 15.289 2.027 ( -7.090 0.374 1.032) 7.174 2.303 ( 7.545 1.504 -6.741) 10.229 2.358 ( 6.521 -1.263 -1.750) 6.869 2.527 ( -1.866 12.228 -4.484) 13.157 2.597 ( 1.166 0.357 -3.327) 3.543 2.660 ( -2.070 0.736 -3.975) 4.541 2.749 ( 1.899 5.323 -0.786) 5.706 2.758 ( 6.174 9.094 -5.526) 12.303 2.913 ( 0.810 -1.020 6.758) 6.882 2.944 ( 1.476 -0.743 -1.487) 2.224 3.140 ( 0.964 4.569 1.054) 4.787 3.196 ( 0.679 0.501 1.139) 1.418 3.223 ( 4.289 -2.446 -0.938) 5.026 3.614 ( -0.988 -4.264 -2.816) 5.205 3.695 ( -1.959 1.228 2.189) 3.184 3.718 ( 3.863 2.872 -5.907) 7.620 3.779 ( 3.246 3.754 -4.897) 6.972 3.993 ( -0.375 -4.167 -12.227) 12.923 4.180 ( -1.476 2.317 -8.794) 9.213 4.366 ( 2.960 5.763 7.505) 9.914 4.409 ( -1.750 -6.227 -4.215) 7.721 4.548 ( 6.114 4.720 16.854) 18.539 4.582 ( -0.041 0.794 -2.090) 2.237 5.460 ( -38.309 -21.010 29.929) 52.960 11.111 ( 0.813 -0.100 0.720) 1.091 11.253 ( -4.684 -4.759 -2.155) 7.017 11.340 ( 0.366 0.132 0.551) 0.675 11.485 ( -1.225 2.067 5.354) 5.868 14.680 ( 0.152 -0.031 1.068) 1.079 14.704 ( 0.460 0.030 -1.063) 1.159 33.459 ( 1.816 -1.617 5.076) 5.628 33.661 ( 40.570 20.465 -45.494) 64.300 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 11.791 -11.009 9.440) 18.690 0.774 ( 6.226 -19.082 6.372) 21.059 1.523 ( 7.174 -21.146 15.323) 27.081 1.760 ( -4.124 -3.676 11.176) 12.467 1.898 ( -8.705 2.105 0.300) 8.961 2.184 ( -6.649 6.631 -7.666) 12.122 2.318 ( -3.018 6.365 -6.567) 9.631 2.507 ( 9.403 0.314 -1.390) 9.511 2.562 ( -1.286 4.336 -2.081) 4.979 2.607 ( 1.499 5.508 -5.269) 7.769 2.651 ( 2.401 1.823 -4.053) 5.051 2.760 ( 5.361 2.985 1.243) 6.261 2.954 ( -1.942 0.282 7.650) 7.898 2.964 ( 1.525 -2.089 -2.702) 3.740 3.091 ( -0.744 3.249 2.554) 4.199 3.205 ( 2.473 2.648 4.247) 5.582 3.304 ( 1.618 -2.726 -0.275) 3.182 3.600 ( -2.406 1.600 -2.415) 3.766 3.669 ( -4.652 -1.002 -2.926) 5.586 3.683 ( 0.084 1.136 -4.195) 4.347 3.709 ( 2.527 4.699 -7.098) 8.880 4.013 ( 2.832 -2.009 -5.845) 6.799 4.048 ( -2.482 6.297 -6.838) 9.622 4.364 ( 0.133 2.105 4.243) 4.738 4.473 ( -1.198 -8.273 -3.598) 9.101 4.569 ( 0.764 -1.041 -2.995) 3.261 4.656 ( 6.566 2.698 10.829) 12.948 5.374 ( -20.933 -6.865 15.755) 27.083 11.133 ( 1.452 -0.100 1.386) 2.010 11.243 ( -2.641 -2.258 -2.049) 4.034 11.349 ( 0.763 0.151 1.036) 1.295 11.460 ( -1.473 1.198 1.147) 2.218 14.688 ( 0.018 0.115 1.784) 1.788 14.705 ( 0.802 -0.045 -1.769) 1.943 33.553 ( 2.134 -2.071 9.025) 9.502 33.688 ( 18.379 6.562 -24.366) 31.217 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 17.100 -9.251 7.888) 20.982 1.152 ( 5.991 -17.578 5.901) 19.486 1.571 ( -7.059 0.668 7.113) 10.044 1.667 ( -11.035 5.321 -5.232) 13.322 1.939 ( -7.871 8.966 -3.987) 12.580 2.098 ( -0.687 -3.330 -4.212) 5.413 2.291 ( 2.785 -7.013 13.759) 15.693 2.422 ( 0.955 1.556 2.136) 2.810 2.520 ( -0.235 1.171 -3.904) 4.082 2.644 ( 7.864 -0.134 -5.979) 9.879 2.686 ( 4.972 -0.858 -2.031) 5.439 2.798 ( 4.709 3.764 1.978) 6.345 2.939 ( -4.433 -0.102 6.746) 8.072 3.002 ( 1.255 -0.760 -0.885) 1.713 3.068 ( -0.511 -0.591 0.412) 0.883 3.227 ( 1.639 1.690 1.828) 2.981 3.341 ( 0.401 0.145 3.196) 3.225 3.489 ( -3.776 4.125 -8.681) 10.326 3.549 ( -1.839 2.993 -5.155) 6.239 3.665 ( -4.605 -3.379 -2.913) 6.412 3.674 ( 2.388 2.794 -2.572) 4.486 3.876 ( -2.137 7.941 -2.739) 8.668 4.055 ( 3.073 -0.441 -3.226) 4.477 4.350 ( -1.951 -0.476 0.377) 2.044 4.560 ( 0.256 -6.366 -3.017) 7.049 4.598 ( 2.089 -0.550 -0.111) 2.164 4.748 ( 4.824 1.453 5.969) 7.812 5.270 ( -12.120 -1.766 8.451) 14.881 11.164 ( 1.818 0.086 1.901) 2.632 11.225 ( -2.132 -1.214 -2.206) 3.300 11.367 ( 1.158 -0.006 1.326) 1.760 11.427 ( -1.587 0.740 -0.527) 1.829 14.693 ( -0.059 0.176 0.987) 1.004 14.709 ( 0.592 -0.093 -0.972) 1.142 33.648 ( 0.329 -1.143 11.498) 11.559 33.711 ( 9.374 1.643 -17.311) 19.755 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 -0.000 0.000) 0.000 1.324 ( -0.000 -0.000 0.000) 0.000 1.442 ( 0.000 -0.000 0.000) 0.000 1.556 ( 0.000 -0.000 0.000) 0.000 1.743 ( 0.000 -0.000 0.000) 0.000 2.069 ( 0.000 -0.000 0.000) 0.000 2.274 ( 0.000 -0.000 0.000) 0.000 2.492 ( 0.000 -0.000 0.000) 0.000 2.622 ( 0.000 -0.000 -0.000) 0.000 2.695 ( -0.000 0.000 0.000) 0.000 2.738 ( -0.000 -0.000 -0.000) 0.000 2.794 ( -0.000 0.000 -0.000) 0.000 2.957 ( 0.000 -0.000 -0.000) 0.000 2.982 ( 0.000 -0.000 0.000) 0.000 3.086 ( -0.000 0.000 0.000) 0.000 3.194 ( 0.000 -0.000 0.000) 0.000 3.317 ( 0.000 -0.000 0.000) 0.000 3.448 ( 0.000 -0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 -0.000 0.000) 0.000 3.660 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 -0.000 0.000) 0.000 4.071 ( -0.000 -0.000 0.000) 0.000 4.340 ( 0.000 -0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 -0.000 -0.000) 0.000 4.790 ( -0.000 0.000 0.000) 0.000 5.215 ( 0.000 -0.000 0.000) 0.000 11.193 ( -0.000 -0.000 -0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 -0.000 0.000) 0.000 11.394 ( -0.000 0.000 -0.000) 0.000 14.694 ( -0.000 -0.000 0.000) 0.000 14.711 ( 0.000 -0.000 -0.000) 0.000 33.695 ( -0.000 -0.000 0.000) 0.000 33.713 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 17.311 -0.000 13.622) 22.028 0.637 ( 17.225 -0.000 15.631) 23.260 0.951 ( 22.586 -0.000 31.188) 38.507 1.763 ( -13.605 0.000 8.457) 16.019 1.957 ( -6.800 0.000 0.029) 6.800 2.318 ( 0.197 -0.000 -6.418) 6.421 2.413 ( -2.345 0.000 -13.037) 13.246 2.507 ( 1.677 -0.000 -4.267) 4.585 2.613 ( 2.138 -0.000 -3.928) 4.472 2.652 ( 1.550 -0.000 1.383) 2.077 2.697 ( -3.091 0.000 -2.377) 3.899 2.871 ( 1.004 -0.000 -9.690) 9.742 2.959 ( -4.996 0.000 -2.691) 5.675 3.035 ( 4.481 -0.000 0.251) 4.488 3.074 ( 1.774 -0.000 2.411) 2.993 3.225 ( 0.315 -0.000 4.863) 4.873 3.291 ( 5.089 -0.000 4.814) 7.005 3.544 ( -1.936 0.000 -3.045) 3.609 3.672 ( -3.533 0.000 -6.328) 7.247 3.681 ( -2.809 0.000 -0.350) 2.831 3.905 ( 1.905 -0.000 -10.380) 10.554 3.912 ( 3.803 -0.000 -0.308) 3.816 4.145 ( -0.695 0.000 -6.799) 6.834 4.266 ( -3.223 0.000 -7.389) 8.061 4.462 ( -4.518 0.000 -2.059) 4.965 4.535 ( 7.803 -0.000 -0.175) 7.805 4.834 ( 3.954 -0.000 3.847) 5.517 5.055 ( -20.121 0.000 44.445) 48.787 11.132 ( 1.575 -0.000 1.303) 2.044 11.190 ( -0.344 0.000 -1.350) 1.393 11.352 ( 0.678 -0.000 1.021) 1.226 11.484 ( -3.004 0.000 2.529) 3.927 14.691 ( 0.231 -0.000 2.023) 2.036 14.708 ( 1.404 -0.000 -3.103) 3.406 33.521 ( 3.217 -0.000 9.345) 9.883 33.902 ( 13.669 -0.000 -43.135) 45.249 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 24.263 -5.167 10.342) 26.877 0.883 ( 15.276 3.314 16.754) 22.914 1.509 ( 10.428 -9.843 19.619) 24.301 1.694 ( -1.053 -7.759 11.966) 14.300 1.828 ( -8.181 4.158 -0.431) 9.187 2.200 ( -5.454 5.958 -7.376) 10.938 2.252 ( -3.356 1.541 -8.597) 9.357 2.564 ( -1.235 -0.700 -5.847) 6.017 2.589 ( 0.325 2.803 -2.792) 3.969 2.621 ( 1.858 0.202 -3.795) 4.230 2.743 ( -0.822 1.033 2.477) 2.806 2.748 ( 1.416 2.227 -8.779) 9.167 2.892 ( -0.376 -4.549 -8.769) 9.885 3.069 ( 2.165 3.957 8.971) 10.042 3.173 ( -0.397 -1.367 1.852) 2.336 3.191 ( 1.219 3.108 0.343) 3.356 3.369 ( 4.839 2.304 4.517) 7.009 3.504 ( -5.913 -2.290 -2.317) 6.750 3.598 ( -2.741 0.350 -4.405) 5.200 3.638 ( -3.342 -0.050 -4.506) 5.610 3.776 ( -0.746 6.043 -6.853) 9.167 4.008 ( 2.430 -3.586 -3.768) 5.741 4.087 ( 1.028 4.337 -4.249) 6.158 4.256 ( -2.744 -6.623 -2.892) 7.730 4.412 ( -1.509 -1.448 -2.044) 2.924 4.601 ( 3.788 2.402 1.009) 4.597 4.839 ( 2.363 4.393 10.393) 11.528 5.102 ( -13.809 -8.883 18.802) 24.962 11.165 ( 2.093 -0.022 1.741) 2.723 11.185 ( -0.835 -1.131 -1.880) 2.348 11.369 ( 0.951 0.052 1.339) 1.643 11.448 ( -2.558 0.561 0.242) 2.630 14.702 ( 0.257 0.335 1.300) 1.367 14.709 ( 1.146 0.071 -2.264) 2.539 33.624 ( 3.002 -0.435 11.806) 12.189 33.824 ( 8.897 4.386 -27.361) 29.103 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 10.556 -2.420 13.858) 17.588 1.209 ( 26.426 -4.253 6.438) 27.529 1.556 ( -3.638 2.123 -1.910) 4.625 1.610 ( -5.863 6.548 4.394) 9.826 2.002 ( -1.412 3.772 -2.648) 4.820 2.029 ( 0.356 2.043 -2.808) 3.491 2.292 ( 4.342 -9.757 13.967) 17.582 2.483 ( -3.337 -0.428 -5.510) 6.456 2.497 ( 0.818 6.297 -4.153) 7.587 2.571 ( -5.041 -2.374 -2.672) 6.179 2.740 ( 4.041 -2.012 -3.401) 5.652 2.827 ( 1.211 -5.468 -3.489) 6.599 2.910 ( -0.675 -2.455 -6.984) 7.434 3.047 ( 1.665 8.182 4.705) 9.584 3.113 ( -0.456 2.771 4.477) 5.285 3.241 ( 0.510 -1.843 -0.117) 1.916 3.399 ( -3.997 2.572 3.129) 5.690 3.432 ( 1.769 1.349 -4.491) 5.012 3.522 ( -1.511 0.259 -9.106) 9.234 3.541 ( -5.008 -0.109 -0.602) 5.045 3.699 ( -1.496 1.575 -2.109) 3.028 3.927 ( -3.403 6.359 -4.435) 8.467 4.083 ( 2.252 0.595 -1.877) 2.992 4.341 ( 1.897 -5.679 1.050) 6.079 4.437 ( -0.146 -3.605 -0.829) 3.702 4.605 ( -0.918 0.144 2.267) 2.450 4.868 ( 0.643 2.847 8.863) 9.331 5.125 ( -5.997 -5.937 5.568) 10.110 11.176 ( -1.100 -0.829 -2.094) 2.507 11.205 ( 2.319 0.031 1.998) 3.061 11.389 ( 1.121 -0.026 1.420) 1.810 11.407 ( -2.126 0.508 -0.877) 2.356 14.700 ( 0.844 0.391 -2.311) 2.491 14.715 ( -0.087 0.191 1.650) 1.663 33.712 ( 0.560 0.801 11.944) 11.984 33.754 ( 5.429 2.596 -18.240) 19.207 ======================= Grid point 13 (9/114) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -9.036 8.439 -0.246) 12.366 1.422 ( 6.048 -2.441 3.182) 7.257 1.555 ( 7.813 4.275 -0.298) 8.911 1.699 ( 16.649 0.640 2.905) 16.913 1.831 ( 6.123 7.384 -0.589) 9.611 2.055 ( 1.310 -2.139 -0.745) 2.616 2.283 ( -2.508 3.920 -0.721) 4.709 2.455 ( -0.459 -2.007 -6.513) 6.831 2.538 ( -8.421 -6.116 0.033) 10.407 2.625 ( 0.918 -3.682 8.940) 9.712 2.767 ( -0.407 0.011 -1.529) 1.583 2.848 ( -3.435 5.995 0.081) 6.910 2.897 ( -0.818 -1.805 -9.423) 9.629 2.968 ( 1.552 1.449 -6.617) 6.949 3.106 ( -1.233 0.280 5.409) 5.555 3.206 ( -2.178 1.713 -2.533) 3.754 3.326 ( 0.396 0.212 -0.246) 0.512 3.445 ( -0.770 0.987 4.678) 4.842 3.492 ( 0.966 -0.449 0.392) 1.135 3.558 ( 0.212 -6.327 -3.820) 7.394 3.654 ( -0.372 -0.269 2.551) 2.592 3.802 ( -2.684 2.173 -2.250) 4.122 4.076 ( -0.303 1.060 0.104) 1.107 4.423 ( 3.359 3.097 4.642) 6.513 4.473 ( -4.637 -6.963 -2.748) 8.806 4.610 ( -1.064 -1.418 2.761) 3.281 4.839 ( -2.424 4.657 5.580) 7.661 5.203 ( 4.829 -5.882 -3.459) 8.359 11.158 ( -1.205 -0.357 -1.964) 2.332 11.245 ( 2.412 0.266 2.065) 3.187 11.371 ( -1.610 0.238 -1.222) 2.035 11.413 ( 1.101 -0.233 1.126) 1.592 14.693 ( 0.648 0.182 -2.462) 2.552 14.716 ( -0.404 0.406 1.948) 2.030 33.687 ( 1.181 1.847 -10.753) 10.974 33.740 ( -2.661 2.541 9.756) 10.427 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -7.133 13.254 -4.244) 15.638 1.350 ( -0.003 16.608 -3.757) 17.028 1.640 ( 6.287 -4.282 2.239) 7.929 1.798 ( 10.480 4.300 2.097) 11.520 2.041 ( 13.808 -2.155 -0.944) 14.007 2.139 ( 4.151 -3.860 6.535) 8.651 2.284 ( 3.124 0.504 -9.735) 10.237 2.419 ( -3.775 4.269 -6.187) 8.411 2.474 ( -7.797 -2.405 1.987) 8.398 2.551 ( -5.970 8.882 0.042) 10.702 2.662 ( -2.980 0.951 6.295) 7.029 2.728 ( -4.522 1.403 0.993) 4.837 2.869 ( -0.334 -4.376 -9.811) 10.748 2.977 ( 1.123 -2.059 -6.637) 7.039 3.102 ( -3.918 -0.568 4.206) 5.776 3.135 ( -4.519 0.469 -4.754) 6.576 3.341 ( -1.598 -1.187 -2.107) 2.898 3.483 ( 2.470 -2.981 3.849) 5.459 3.572 ( 1.018 -2.963 10.486) 10.944 3.599 ( -0.684 -3.220 1.709) 3.709 3.752 ( 0.712 1.030 -2.102) 2.447 3.809 ( 5.163 -9.442 4.389) 11.622 4.059 ( -0.570 0.960 2.621) 2.849 4.385 ( -2.707 3.289 0.516) 4.291 4.475 ( -6.705 -5.751 -3.392) 9.462 4.639 ( 2.435 2.104 4.723) 5.715 4.744 ( -2.240 6.293 1.521) 6.850 5.373 ( 11.713 -5.601 -7.304) 14.897 11.136 ( -1.080 0.031 -1.485) 1.837 11.282 ( 2.559 0.575 1.932) 3.258 11.346 ( -1.026 -0.058 -1.052) 1.470 11.435 ( 0.760 -0.504 0.327) 0.969 14.687 ( 0.338 0.035 -2.025) 2.053 14.714 ( -0.257 0.518 1.499) 1.607 33.613 ( -1.553 2.047 -6.496) 6.986 33.673 ( -7.589 3.995 9.509) 12.806 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -1.842 14.524 -3.338) 15.016 1.063 ( 1.135 22.736 0.218) 22.765 1.762 ( 4.025 19.505 -4.364) 20.389 1.794 ( -1.238 6.931 -3.841) 8.020 1.982 ( 5.598 -0.393 -4.235) 7.031 2.208 ( 2.485 -7.199 -1.867) 7.841 2.288 ( 2.044 0.238 4.554) 4.997 2.380 ( -7.429 -0.889 5.847) 9.496 2.486 ( 3.190 -6.384 -5.143) 8.797 2.537 ( -2.218 -5.444 2.454) 6.370 2.636 ( -1.764 0.966 2.390) 3.123 2.680 ( -1.269 -0.347 3.997) 4.208 2.885 ( -1.471 -4.666 -6.432) 8.081 2.973 ( 0.595 0.208 -2.427) 2.508 3.066 ( -4.116 -1.342 0.235) 4.336 3.100 ( -0.079 -3.518 -3.285) 4.814 3.274 ( -6.759 1.376 0.043) 6.898 3.583 ( 1.817 -4.131 1.466) 4.745 3.658 ( 0.395 -2.413 4.413) 5.045 3.672 ( 0.097 -3.678 4.483) 5.800 3.736 ( 0.532 0.880 -2.035) 2.280 4.040 ( 4.378 -7.710 7.588) 11.670 4.077 ( 3.034 1.427 6.289) 7.127 4.290 ( -3.717 1.140 -6.925) 7.942 4.421 ( -7.921 -3.722 -4.906) 10.033 4.615 ( 0.066 7.186 1.292) 7.301 4.670 ( 1.694 3.491 2.913) 4.852 5.584 ( 13.541 -4.764 -6.937) 15.943 11.116 ( -0.671 0.212 -0.779) 1.049 11.319 ( 2.973 0.637 1.735) 3.501 11.334 ( -0.459 -0.241 -0.540) 0.748 11.447 ( -0.149 -0.638 -0.983) 1.181 14.681 ( 0.033 0.047 -1.107) 1.108 14.711 ( 0.146 0.487 0.613) 0.796 33.511 ( -11.427 3.110 8.047) 14.318 33.542 ( -2.820 4.268 -2.044) 5.509 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 14.487 -0.000) 14.487 0.741 ( -0.000 24.970 -0.000) 24.970 1.167 ( -0.000 39.933 -0.000) 39.933 1.903 ( 0.000 -5.664 0.000) 5.664 2.124 ( 0.000 -4.140 0.000) 4.140 2.197 ( -0.000 3.082 -0.000) 3.082 2.277 ( 0.000 -2.697 0.000) 2.697 2.430 ( 0.000 -4.813 0.000) 4.813 2.563 ( 0.000 -5.434 0.000) 5.434 2.616 ( 0.000 -5.589 0.000) 5.589 2.629 ( 0.000 -0.871 0.000) 0.871 2.715 ( 0.000 -2.464 0.000) 2.464 2.901 ( 0.000 -1.605 0.000) 1.605 2.977 ( -0.000 1.042 -0.000) 1.042 3.075 ( 0.000 -4.083 0.000) 4.083 3.157 ( 0.000 -3.547 0.000) 3.547 3.163 ( -0.000 2.795 -0.000) 2.795 3.652 ( 0.000 -2.729 0.000) 2.729 3.689 ( -0.000 0.593 -0.000) 0.593 3.709 ( -0.000 2.477 -0.000) 2.477 3.731 ( 0.000 -3.677 0.000) 3.677 4.123 ( -0.000 4.190 -0.000) 4.190 4.165 ( 0.000 -3.721 0.000) 3.721 4.258 ( 0.000 -5.732 0.000) 5.732 4.358 ( 0.000 -1.051 0.000) 1.051 4.521 ( -0.000 6.413 -0.000) 6.413 4.648 ( -0.000 3.031 -0.000) 3.031 5.757 ( 0.000 -5.090 0.000) 5.090 11.106 ( -0.000 0.206 -0.000) 0.206 11.333 ( 0.000 -0.251 0.000) 0.251 11.357 ( 0.000 -0.433 0.000) 0.433 11.438 ( -0.000 0.054 -0.000) 0.054 14.677 ( -0.000 0.068 -0.000) 0.068 14.709 ( -0.000 0.349 -0.000) 0.349 33.346 ( -0.000 5.643 -0.000) 5.643 33.469 ( -0.000 3.127 -0.000) 3.127 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 29.719 -0.000 9.709) 31.265 1.202 ( 12.345 -0.000 14.179) 18.800 1.626 ( -0.809 0.000 4.108) 4.187 1.696 ( 0.079 -0.000 4.765) 4.765 1.873 ( 11.935 -0.000 20.439) 23.669 2.030 ( -10.360 0.000 -5.346) 11.658 2.283 ( 3.251 -0.000 -6.939) 7.663 2.429 ( -9.772 0.000 -7.595) 12.376 2.592 ( -1.417 0.000 -5.935) 6.102 2.603 ( 2.103 -0.000 -8.883) 9.129 2.744 ( -1.530 0.000 -3.062) 3.423 2.784 ( 0.668 -0.000 6.375) 6.410 2.787 ( 0.243 -0.000 -10.228) 10.231 3.091 ( -1.341 0.000 -8.095) 8.206 3.172 ( 1.717 -0.000 6.253) 6.485 3.245 ( -2.014 0.000 -0.930) 2.218 3.412 ( -4.411 0.000 1.943) 4.820 3.498 ( 3.133 -0.000 9.173) 9.693 3.556 ( -5.638 0.000 -2.207) 6.054 3.556 ( 0.486 -0.000 -7.044) 7.061 3.765 ( -4.433 0.000 -8.689) 9.755 3.926 ( -0.630 0.000 -3.816) 3.867 4.152 ( 4.753 -0.000 -2.398) 5.324 4.205 ( 1.328 -0.000 -0.391) 1.384 4.363 ( -0.476 0.000 -1.734) 1.798 4.663 ( -0.754 0.000 3.083) 3.174 4.927 ( 0.877 -0.000 1.537) 1.770 4.971 ( -9.408 0.000 19.317) 21.486 11.161 ( -0.440 0.000 -1.925) 1.975 11.205 ( 2.408 -0.000 1.872) 3.050 11.389 ( 1.041 -0.000 1.451) 1.786 11.415 ( -2.556 0.000 -0.671) 2.643 14.708 ( 1.276 -0.000 -4.189) 4.379 14.718 ( -0.294 0.000 3.070) 3.084 33.726 ( 2.683 -0.000 12.512) 12.796 33.806 ( 4.258 -0.000 -22.232) 22.636 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 8.671 4.217 12.198) 15.549 1.526 ( -1.333 6.503 -2.318) 7.031 1.609 ( 25.337 -0.282 3.579) 25.590 1.683 ( 2.872 1.218 2.009) 3.711 1.938 ( -3.073 -5.332 -0.955) 6.227 2.121 ( 0.237 8.302 2.308) 8.620 2.306 ( 5.556 -1.947 -1.724) 6.134 2.358 ( 1.207 -8.328 7.159) 11.048 2.504 ( -2.551 1.657 -4.971) 5.828 2.625 ( 0.980 8.911 -0.055) 8.965 2.656 ( -0.051 -6.615 -10.093) 12.068 2.741 ( -2.648 -2.139 -8.239) 8.914 2.843 ( -0.132 -1.816 3.275) 3.747 3.082 ( -2.456 -6.985 -5.537) 9.246 3.144 ( -5.937 4.414 0.943) 7.458 3.202 ( -0.654 0.120 2.194) 2.292 3.380 ( -1.815 0.369 1.573) 2.430 3.440 ( -6.133 4.281 -6.592) 9.970 3.515 ( 2.066 0.520 -3.928) 4.468 3.554 ( 0.656 2.494 9.587) 9.928 3.661 ( -1.725 -0.263 -6.255) 6.493 3.923 ( -1.754 0.668 -5.004) 5.344 4.113 ( 0.201 5.661 -0.917) 5.738 4.260 ( 1.116 -3.415 -0.461) 3.622 4.452 ( 5.548 -6.654 2.667) 9.064 4.606 ( -5.301 3.894 5.174) 8.369 4.929 ( -1.667 1.428 6.807) 7.152 4.999 ( -2.673 -6.407 2.253) 7.299 11.148 ( -0.507 -0.257 -1.823) 1.910 11.246 ( 2.363 -0.037 1.794) 2.967 11.378 ( -2.072 0.181 -1.092) 2.349 11.410 ( 0.991 -0.007 1.328) 1.657 14.700 ( 0.829 0.204 -3.577) 3.678 14.726 ( -0.405 0.217 2.738) 2.776 33.740 ( 2.211 1.326 -15.558) 15.770 33.805 ( 0.989 1.452 10.857) 10.998 ======================= Grid point 21 (15/114) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -5.228 12.224 -0.829) 13.321 1.518 ( 5.738 -1.259 6.795) 8.982 1.636 ( 0.985 5.075 -7.167) 8.836 1.994 ( 15.460 2.718 7.694) 17.481 2.015 ( 4.307 -5.353 -1.617) 7.058 2.091 ( 15.655 3.664 0.494) 16.085 2.299 ( -2.102 1.418 -1.955) 3.202 2.372 ( -3.582 6.014 -5.058) 8.636 2.443 ( -1.975 0.696 -1.270) 2.450 2.604 ( 1.042 -4.842 -1.634) 5.215 2.721 ( -0.970 -4.285 -3.958) 5.913 2.759 ( -3.105 -4.851 1.883) 6.059 2.848 ( -1.800 1.134 0.091) 2.130 3.008 ( -2.678 2.920 -3.445) 5.251 3.088 ( -5.572 0.095 4.423) 7.115 3.181 ( -3.069 3.569 -3.508) 5.870 3.266 ( -5.705 -1.512 -5.020) 7.748 3.428 ( 1.806 -6.491 5.771) 8.871 3.536 ( 1.429 -0.677 -1.921) 2.488 3.586 ( 5.012 5.035 4.598) 8.462 3.641 ( 0.455 -1.339 -0.771) 1.611 3.796 ( -1.775 6.038 -3.972) 7.442 4.055 ( -3.238 -1.065 -1.465) 3.710 4.308 ( -2.395 -4.296 -0.080) 4.919 4.492 ( -6.913 3.032 3.734) 8.422 4.640 ( 7.130 -2.012 6.167) 9.639 4.893 ( -2.222 3.766 4.136) 6.019 5.117 ( 2.814 -11.106 -4.527) 12.319 11.135 ( -0.555 -0.074 -1.444) 1.549 11.286 ( 2.051 -0.124 1.520) 2.556 11.347 ( -1.376 0.099 -1.014) 1.712 11.428 ( 0.745 -0.046 0.922) 1.186 14.690 ( 0.444 0.159 -2.526) 2.570 14.729 ( -0.261 0.455 1.938) 2.008 33.673 ( 0.590 1.791 -9.616) 9.800 33.809 ( -1.610 4.450 8.250) 9.511 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -2.528 13.358 -1.389) 13.666 1.506 ( -1.314 5.201 -4.271) 6.857 1.688 ( 8.926 -0.634 6.443) 11.027 2.008 ( -2.549 9.254 -4.990) 10.818 2.111 ( 7.690 0.104 3.384) 8.402 2.230 ( 6.245 -1.714 0.629) 6.507 2.297 ( -5.089 -4.929 2.540) 7.526 2.363 ( 9.177 1.016 -3.704) 9.949 2.423 ( 3.843 0.539 -4.128) 5.665 2.659 ( -4.352 2.944 1.154) 5.379 2.675 ( -0.426 7.287 -3.042) 7.908 2.701 ( -6.277 1.839 3.513) 7.425 2.776 ( -0.918 -0.869 -0.477) 1.351 2.930 ( 1.108 0.504 -8.248) 8.338 3.025 ( -6.876 -0.400 3.938) 7.933 3.063 ( -3.335 1.389 -4.583) 5.835 3.245 ( -4.323 -3.937 -0.269) 5.853 3.524 ( 1.514 1.703 3.726) 4.367 3.581 ( -0.400 -1.303 2.322) 2.692 3.605 ( 3.014 -2.318 4.844) 6.158 3.693 ( -0.134 -3.469 -2.275) 4.150 3.804 ( 5.244 -6.189 0.203) 8.114 4.047 ( -1.264 -3.266 -0.483) 3.535 4.309 ( -4.444 -2.491 -0.283) 5.103 4.383 ( -4.594 2.773 0.770) 5.421 4.735 ( 3.171 1.866 4.214) 5.594 4.815 ( -1.172 5.601 1.280) 5.864 5.327 ( 5.225 -12.727 -4.161) 14.374 11.122 ( -0.416 0.166 -0.798) 0.916 11.319 ( 1.460 -0.336 1.018) 1.812 11.329 ( -0.612 -0.078 -0.587) 0.852 11.439 ( 0.293 -0.031 0.287) 0.411 14.683 ( 0.158 0.092 -1.264) 1.277 14.727 ( 0.022 0.561 0.878) 1.042 33.606 ( -0.722 2.720 -3.820) 4.745 33.722 ( -2.986 7.422 4.366) 9.114 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.000 14.021 -0.000) 14.021 1.353 ( -0.000 15.604 -0.000) 15.604 1.800 ( 0.000 -0.587 0.000) 0.587 1.914 ( 0.000 -5.325 0.000) 5.325 2.177 ( -0.000 22.572 -0.000) 22.572 2.201 ( 0.000 -0.676 0.000) 0.676 2.264 ( -0.000 4.159 -0.000) 4.159 2.402 ( -0.000 0.865 -0.000) 0.865 2.428 ( 0.000 -6.559 0.000) 6.559 2.474 ( -0.000 3.124 -0.000) 3.124 2.666 ( 0.000 -0.986 0.000) 0.986 2.673 ( -0.000 2.476 -0.000) 2.476 2.784 ( 0.000 -3.739 0.000) 3.739 2.982 ( 0.000 -0.248 0.000) 0.248 2.989 ( 0.000 -6.687 0.000) 6.687 3.014 ( 0.000 -0.651 0.000) 0.651 3.243 ( 0.000 -0.238 0.000) 0.238 3.553 ( 0.000 -2.379 0.000) 2.379 3.633 ( 0.000 -3.539 0.000) 3.539 3.649 ( 0.000 -1.760 0.000) 1.760 3.723 ( 0.000 -1.494 0.000) 1.494 3.977 ( 0.000 -9.290 0.000) 9.290 4.108 ( 0.000 -4.809 0.000) 4.809 4.261 ( -0.000 3.442 -0.000) 3.442 4.325 ( 0.000 -0.127 0.000) 0.127 4.711 ( -0.000 5.951 -0.000) 5.951 4.741 ( -0.000 3.676 -0.000) 3.676 5.531 ( 0.000 -10.994 0.000) 10.994 11.113 ( -0.000 0.264 -0.000) 0.264 11.326 ( 0.000 -0.227 0.000) 0.227 11.341 ( 0.000 -0.606 0.000) 0.606 11.440 ( -0.000 0.099 -0.000) 0.099 14.679 ( -0.000 0.087 -0.000) 0.087 14.722 ( -0.000 0.550 -0.000) 0.550 33.535 ( -0.000 5.250 -0.000) 5.250 33.597 ( -0.000 7.138 -0.000) 7.138 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 2.663 -0.000 3.603) 4.480 1.525 ( -6.891 0.000 -0.426) 6.904 1.711 ( 2.973 -0.000 -5.968) 6.667 1.835 ( 0.698 -0.000 2.359) 2.460 2.015 ( 28.085 -0.000 4.321) 28.415 2.223 ( 0.510 -0.000 0.712) 0.875 2.322 ( 2.699 -0.000 -0.772) 2.807 2.449 ( 7.368 -0.000 -6.754) 9.996 2.484 ( 1.735 -0.000 11.579) 11.708 2.520 ( -3.926 0.000 -2.197) 4.499 2.596 ( -5.162 0.000 -15.175) 16.029 2.811 ( 5.830 -0.000 4.991) 7.675 2.846 ( -2.128 0.000 7.691) 7.980 2.918 ( -0.488 0.000 -9.452) 9.464 3.074 ( -10.009 0.000 4.678) 11.048 3.161 ( -5.734 0.000 -2.862) 6.409 3.341 ( -2.874 0.000 -4.957) 5.729 3.426 ( -1.026 0.000 0.721) 1.254 3.514 ( -5.453 0.000 -3.788) 6.640 3.525 ( 1.077 -0.000 -2.300) 2.540 3.658 ( 0.962 -0.000 3.459) 3.590 3.893 ( 0.640 -0.000 -2.440) 2.523 4.238 ( -0.439 0.000 0.008) 0.439 4.240 ( 0.699 -0.000 0.012) 0.700 4.442 ( 5.435 -0.000 3.441) 6.432 4.605 ( -3.054 0.000 3.856) 4.920 4.907 ( -2.357 0.000 -1.730) 2.923 4.948 ( -2.476 0.000 5.524) 6.053 11.133 ( -0.277 0.000 -1.373) 1.400 11.283 ( 1.906 -0.000 1.345) 2.333 11.349 ( -1.556 0.000 -0.980) 1.839 11.428 ( 0.759 -0.000 1.031) 1.280 14.693 ( 0.425 -0.000 -2.821) 2.853 14.736 ( -0.340 0.000 2.194) 2.220 33.700 ( 0.992 -0.000 -11.129) 11.173 33.878 ( 0.436 -0.000 8.478) 8.490 ======================= Grid point 29 (19/114) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -4.041 9.020 -1.146) 9.950 1.499 ( -4.879 -1.433 -0.699) 5.133 1.771 ( 12.209 2.586 -2.585) 12.745 1.952 ( 2.217 -6.337 4.647) 8.165 2.214 ( 2.723 2.077 1.445) 3.717 2.281 ( -3.256 4.459 -1.548) 5.734 2.354 ( 3.265 4.150 -0.936) 5.363 2.393 ( 10.205 -1.483 -4.933) 11.431 2.437 ( -0.968 0.416 -3.323) 3.487 2.587 ( 0.097 -1.323 2.963) 3.246 2.592 ( 5.832 -1.593 -2.654) 6.602 2.782 ( -1.476 3.434 2.270) 4.373 2.856 ( -0.233 1.510 2.556) 2.978 2.932 ( -5.610 -2.641 0.030) 6.201 3.049 ( -2.755 1.873 -1.018) 3.484 3.076 ( -5.075 -8.155 3.715) 10.298 3.223 ( -3.030 7.136 -8.143) 11.244 3.437 ( 4.002 -2.957 6.830) 8.450 3.448 ( -3.605 -3.214 -3.225) 5.807 3.594 ( -0.621 -5.647 -2.772) 6.321 3.696 ( 2.516 -1.331 1.556) 3.244 3.888 ( 1.608 2.087 -1.236) 2.910 4.051 ( -4.095 13.821 -0.213) 14.416 4.271 ( 0.031 -0.890 0.209) 0.915 4.458 ( -3.630 3.805 2.186) 5.695 4.725 ( 6.740 -5.692 5.747) 10.528 4.925 ( -2.500 -11.057 -5.065) 12.416 4.928 ( -1.412 2.000 2.393) 3.424 11.125 ( -0.182 0.056 -0.755) 0.779 11.310 ( 1.123 -0.207 0.741) 1.361 11.329 ( -0.806 0.009 -0.553) 0.978 11.440 ( 0.404 0.033 0.541) 0.676 14.685 ( 0.159 0.061 -1.468) 1.478 14.739 ( -0.144 0.244 1.138) 1.173 33.659 ( 0.278 0.971 -5.463) 5.556 33.889 ( -0.371 3.422 4.528) 5.688 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -0.000 11.500 -0.000) 11.500 1.482 ( 0.000 -1.611 0.000) 1.611 1.850 ( -0.000 3.188 -0.000) 3.188 2.001 ( -0.000 2.600 -0.000) 2.600 2.180 ( 0.000 -1.953 0.000) 1.953 2.214 ( 0.000 -0.183 0.000) 0.183 2.341 ( -0.000 5.478 -0.000) 5.478 2.375 ( -0.000 1.446 -0.000) 1.446 2.494 ( 0.000 -1.249 0.000) 1.249 2.647 ( 0.000 -2.976 0.000) 2.976 2.655 ( -0.000 0.287 -0.000) 0.287 2.706 ( -0.000 1.767 -0.000) 1.767 2.808 ( -0.000 3.317 -0.000) 3.317 2.945 ( -0.000 0.577 -0.000) 0.577 2.988 ( -0.000 1.359 -0.000) 1.359 3.071 ( -0.000 5.300 -0.000) 5.300 3.144 ( 0.000 -5.086 0.000) 5.086 3.481 ( 0.000 -5.838 0.000) 5.838 3.608 ( 0.000 -4.355 0.000) 4.355 3.615 ( 0.000 -5.249 0.000) 5.249 3.738 ( -0.000 17.150 -0.000) 17.150 3.760 ( 0.000 -3.531 0.000) 3.531 3.959 ( 0.000 -5.049 0.000) 5.049 4.273 ( -0.000 0.096 -0.000) 0.096 4.387 ( -0.000 2.488 -0.000) 2.488 4.797 ( -0.000 1.622 -0.000) 1.622 4.880 ( -0.000 4.132 -0.000) 4.132 5.129 ( 0.000 -17.297 0.000) 17.297 11.120 ( -0.000 0.175 -0.000) 0.175 11.322 ( 0.000 -0.075 0.000) 0.075 11.326 ( 0.000 -0.438 0.000) 0.438 11.443 ( -0.000 0.087 -0.000) 0.087 14.682 ( -0.000 0.074 -0.000) 0.074 14.737 ( -0.000 0.421 -0.000) 0.421 33.626 ( -0.000 1.966 -0.000) 1.966 33.822 ( -0.000 6.786 -0.000) 6.786 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -0.000 0.000 -0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.910 ( 0.000 -0.000 0.000) 0.000 1.939 ( 0.000 -0.000 0.000) 0.000 2.192 ( 0.000 -0.000 0.000) 0.000 2.239 ( 0.000 -0.000 0.000) 0.000 2.350 ( 0.000 -0.000 0.000) 0.000 2.423 ( 0.000 -0.000 0.000) 0.000 2.602 ( 0.000 -0.000 0.000) 0.000 2.607 ( 0.000 -0.000 0.000) 0.000 2.609 ( -0.000 0.000 -0.000) 0.000 2.779 ( -0.000 0.000 -0.000) 0.000 2.839 ( 0.000 -0.000 0.000) 0.000 2.922 ( -0.000 0.000 -0.000) 0.000 2.935 ( 0.000 -0.000 0.000) 0.000 3.066 ( 0.000 -0.000 0.000) 0.000 3.250 ( 0.000 -0.000 0.000) 0.000 3.387 ( 0.000 -0.000 0.000) 0.000 3.448 ( -0.000 0.000 -0.000) 0.000 3.532 ( 0.000 -0.000 0.000) 0.000 3.691 ( 0.000 -0.000 0.000) 0.000 3.891 ( 0.000 -0.000 0.000) 0.000 4.173 ( -0.000 0.000 -0.000) 0.000 4.247 ( 0.000 -0.000 0.000) 0.000 4.595 ( -0.000 0.003 -0.000) 0.003 4.610 ( 0.000 -0.003 0.000) 0.003 4.820 ( 0.000 -0.000 0.000) 0.000 4.941 ( 0.000 -0.000 0.000) 0.000 11.122 ( 0.000 -0.000 0.000) 0.000 11.319 ( 0.000 -0.000 0.000) 0.000 11.321 ( 0.000 -0.000 0.000) 0.000 11.445 ( 0.000 -0.000 0.000) 0.000 14.683 ( 0.000 -0.000 0.000) 0.000 14.743 ( 0.000 -0.000 0.000) 0.000 33.654 ( 0.000 -0.000 0.000) 0.000 33.925 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 5.695 -0.000 24.592) 25.243 0.523 ( -2.720 0.000 25.175) 25.321 0.862 ( 7.883 -0.000 41.946) 42.680 1.925 ( 17.760 -0.000 -10.573) 20.669 2.032 ( 0.178 -0.000 -2.611) 2.617 2.203 ( 6.631 -0.000 -8.522) 10.797 2.273 ( -15.148 0.000 5.876) 16.247 2.566 ( -4.107 0.000 -1.561) 4.393 2.577 ( -4.014 0.000 -3.201) 5.134 2.622 ( -7.292 0.000 -10.562) 12.835 2.680 ( -2.246 0.000 -1.875) 2.926 2.737 ( -2.078 0.000 -0.972) 2.295 2.828 ( -3.623 0.000 -3.503) 5.040 3.022 ( 3.016 -0.000 9.513) 9.979 3.070 ( 0.401 -0.000 -1.414) 1.469 3.181 ( 6.681 -0.000 4.289) 7.939 3.270 ( 1.476 -0.000 6.410) 6.578 3.548 ( -3.617 0.000 -9.582) 10.242 3.585 ( 0.350 -0.000 -4.967) 4.980 3.727 ( -0.052 0.000 -0.628) 0.630 3.776 ( -4.027 0.000 2.600) 4.793 3.786 ( 2.726 -0.000 -2.179) 3.490 4.159 ( -5.090 0.000 -4.215) 6.608 4.342 ( -7.029 0.000 -3.926) 8.051 4.477 ( -0.789 0.000 7.232) 7.275 4.638 ( -1.948 0.000 4.063) 4.506 4.771 ( -0.740 0.000 7.057) 7.095 5.600 ( 43.599 -0.000 -5.742) 43.975 11.109 ( 0.806 -0.000 0.592) 1.000 11.195 ( -0.798 0.000 -0.708) 1.066 11.350 ( 0.313 -0.000 1.223) 1.263 11.498 ( 6.659 -0.000 -1.010) 6.735 14.677 ( 1.455 -0.000 0.183) 1.467 14.702 ( -1.387 0.000 -0.191) 1.400 33.446 ( 7.051 -0.000 2.365) 7.437 33.681 ( -67.862 0.000 -1.188) 67.873 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -2.977 -3.991 20.233) 20.837 0.745 ( 8.352 -3.246 22.686) 24.392 1.401 ( 14.141 -19.575 33.356) 41.180 1.951 ( 0.292 5.347 -2.258) 5.811 2.060 ( -2.066 0.036 -9.353) 9.579 2.103 ( -8.612 1.485 -0.796) 8.775 2.192 ( 4.022 -1.291 -8.554) 9.541 2.419 ( -3.667 4.777 -8.184) 10.161 2.549 ( 0.584 2.413 -3.389) 4.201 2.622 ( 1.333 0.570 0.909) 1.711 2.682 ( 4.095 4.217 0.408) 5.892 2.694 ( -1.838 -0.412 -4.291) 4.686 2.814 ( 0.156 -4.297 -4.958) 6.563 3.084 ( 3.703 0.271 4.663) 5.961 3.131 ( 3.561 -2.350 -0.692) 4.322 3.223 ( 1.124 3.422 3.452) 4.989 3.304 ( 1.664 1.385 1.929) 2.900 3.522 ( -1.145 -5.338 -6.891) 8.792 3.579 ( 5.086 4.340 -8.001) 10.427 3.703 ( -2.725 1.681 2.451) 4.032 3.740 ( -3.429 0.475 1.501) 3.773 3.845 ( 4.673 -2.198 -4.410) 6.791 4.052 ( -2.802 2.465 -2.842) 4.691 4.309 ( -4.915 -8.365 -4.922) 10.879 4.507 ( -0.023 0.323 6.189) 6.198 4.561 ( -8.150 0.859 2.654) 8.614 4.780 ( 5.187 5.884 5.453) 9.553 5.753 ( -6.037 2.119 -1.090) 6.490 11.131 ( 1.515 -0.175 1.183) 1.930 11.199 ( -1.498 -2.452 -2.349) 3.712 11.362 ( 0.580 0.131 1.545) 1.655 11.515 ( -0.024 2.165 -1.796) 2.813 14.692 ( -0.687 -0.109 -0.650) 0.952 14.703 ( 1.737 -0.047 1.180) 2.101 33.238 ( -4.121 -2.807 -1.126) 5.111 33.584 ( 8.037 -1.222 7.173) 10.841 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 6.456 -6.158 11.831) 14.818 1.044 ( 7.946 -8.324 18.241) 21.568 1.790 ( -7.776 -0.520 9.266) 12.107 1.830 ( -7.930 5.038 -5.386) 10.830 1.962 ( 1.355 4.746 -10.207) 11.338 2.033 ( -3.335 -5.298 1.825) 6.521 2.268 ( 8.673 -10.107 10.357) 16.871 2.384 ( 5.156 -0.299 -8.903) 10.293 2.478 ( -1.535 0.891 -4.100) 4.468 2.584 ( -1.780 4.298 -1.518) 4.894 2.615 ( -2.176 1.995 0.748) 3.045 2.724 ( 4.611 -0.063 -0.781) 4.677 2.865 ( 2.137 -3.935 -3.817) 5.884 3.114 ( -1.262 4.355 5.895) 7.437 3.178 ( -0.057 1.762 2.197) 2.816 3.225 ( 1.551 -5.142 -2.677) 6.001 3.314 ( 1.496 -0.652 -2.431) 2.928 3.461 ( -1.786 7.359 -10.299) 12.784 3.572 ( 1.001 -0.579 -1.429) 1.838 3.636 ( -1.693 4.171 3.738) 5.851 3.701 ( -2.671 -1.319 1.847) 3.505 3.899 ( 4.096 0.258 -4.370) 5.995 3.991 ( -0.641 3.194 0.288) 3.271 4.356 ( -2.681 -7.756 -4.959) 9.588 4.466 ( -5.135 -0.431 2.154) 5.585 4.543 ( 2.286 -0.245 1.630) 2.818 4.806 ( 6.076 4.860 3.508) 8.535 5.582 ( -13.488 2.408 3.289) 14.090 11.164 ( 1.900 -0.251 1.604) 2.499 11.193 ( -1.752 -1.721 -2.513) 3.514 11.378 ( 0.851 0.137 1.685) 1.893 11.462 ( -2.001 1.698 -1.106) 2.848 14.677 ( -1.052 -0.163 -0.918) 1.406 14.733 ( 1.351 0.037 2.197) 2.579 33.313 ( 8.525 -3.441 -11.259) 14.536 33.749 ( 6.513 -1.398 10.290) 12.258 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 14.019 -5.289 3.217) 15.325 1.363 ( 5.881 -11.161 14.171) 18.972 1.539 ( -14.360 6.333 -7.292) 17.306 1.687 ( -7.252 4.455 3.126) 9.067 1.817 ( -3.321 8.331 -6.362) 10.996 2.010 ( 0.500 -1.703 -2.662) 3.200 2.317 ( -0.586 1.816 -9.604) 9.792 2.446 ( -3.804 -0.663 -1.660) 4.203 2.527 ( 4.107 0.437 -3.644) 5.508 2.610 ( 2.448 -3.023 -3.051) 4.944 2.729 ( 6.066 -8.593 14.720) 18.091 2.774 ( 4.149 0.111 -0.011) 4.151 2.921 ( 1.024 -2.691 -4.013) 4.939 3.019 ( -7.154 2.629 1.896) 7.854 3.166 ( -1.733 0.400 1.519) 2.339 3.256 ( -2.527 3.090 -3.306) 5.183 3.299 ( 1.465 0.031 -1.289) 1.952 3.363 ( 4.701 -0.992 -0.699) 4.855 3.532 ( -3.458 0.205 3.593) 4.991 3.603 ( -2.116 -1.593 -2.340) 3.534 3.737 ( 1.298 0.526 7.715) 7.841 3.855 ( -2.213 4.478 -0.407) 5.012 3.994 ( 4.795 -0.536 -2.405) 5.391 4.376 ( -0.698 -0.156 1.440) 1.608 4.474 ( 0.097 -4.920 -4.592) 6.731 4.594 ( 2.697 -0.883 0.252) 2.849 4.825 ( 5.248 5.403 1.210) 7.629 5.372 ( -12.861 3.424 0.887) 13.338 11.175 ( -1.638 -1.001 -2.306) 3.000 11.204 ( 1.953 -0.122 1.765) 2.635 11.398 ( 1.016 0.044 1.612) 1.906 11.410 ( -1.967 1.015 -1.200) 2.517 14.662 ( -0.581 -0.215 -1.467) 1.593 14.757 ( 0.301 0.083 2.943) 2.959 33.405 ( 6.772 -2.935 -11.902) 14.004 33.889 ( 2.915 -1.263 11.753) 12.175 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -13.435 6.704 -9.140) 17.578 1.327 ( 12.700 3.261 -0.467) 13.121 1.430 ( -10.385 6.929 -3.968) 13.100 1.653 ( 4.991 4.419 8.726) 10.980 1.733 ( 4.356 -9.509 2.160) 10.680 2.093 ( 3.500 -4.914 -1.621) 6.247 2.235 ( -1.923 1.454 -3.199) 4.006 2.451 ( -3.220 -5.635 -2.762) 7.053 2.535 ( 1.812 6.864 -0.686) 7.132 2.653 ( 1.694 -2.893 -8.191) 8.850 2.741 ( 2.454 1.985 -8.526) 9.091 2.762 ( -1.847 5.973 -2.497) 6.732 2.878 ( -5.715 2.005 7.339) 9.515 2.947 ( -6.083 -5.506 -3.648) 8.979 3.178 ( -3.400 -5.051 -2.858) 6.726 3.255 ( -1.710 2.708 6.012) 6.812 3.292 ( 3.605 1.754 0.308) 4.021 3.469 ( 3.795 -3.256 2.227) 5.474 3.562 ( 0.040 -2.656 4.451) 5.183 3.657 ( 2.515 -4.305 2.728) 5.683 3.759 ( -2.005 -2.844 7.826) 8.564 3.822 ( 1.340 -0.372 4.985) 5.176 4.066 ( 3.331 -2.166 -0.132) 3.976 4.380 ( 2.671 3.272 3.447) 5.452 4.516 ( 0.389 -3.738 -6.212) 7.260 4.624 ( 1.434 0.996 -0.377) 1.786 4.791 ( 2.327 7.432 -0.337) 7.795 5.172 ( -6.969 3.441 -4.661) 9.063 11.153 ( -1.532 -0.498 -2.011) 2.576 11.238 ( 1.901 0.406 1.675) 2.566 11.370 ( -1.492 0.423 -1.082) 1.891 11.419 ( 0.952 -0.090 1.231) 1.559 14.654 ( 0.082 -0.253 -1.801) 1.821 14.768 ( -1.035 -0.099 3.291) 3.451 33.449 ( 3.757 -1.307 -10.771) 11.482 33.981 ( -1.982 -2.370 12.677) 13.048 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -12.794 10.546 -2.872) 16.827 1.122 ( -5.485 17.221 2.083) 18.193 1.426 ( 9.633 2.586 -6.331) 11.814 1.756 ( 9.915 -0.661 2.532) 10.254 1.928 ( -7.956 19.557 -9.354) 23.093 2.007 ( 6.677 -9.770 2.861) 12.175 2.274 ( -0.474 -4.873 2.876) 5.679 2.403 ( -1.304 -6.784 -4.399) 8.190 2.549 ( 1.764 -4.947 -1.152) 5.377 2.668 ( -1.989 0.986 2.434) 3.294 2.702 ( 1.602 -1.056 -4.725) 5.100 2.755 ( 0.905 -2.546 -5.890) 6.480 2.827 ( -3.848 -1.564 4.225) 5.925 2.924 ( -4.209 -3.413 -4.534) 7.065 3.132 ( -6.491 -2.200 -4.136) 8.005 3.180 ( -1.576 4.912 3.767) 6.388 3.369 ( 3.460 -1.425 2.132) 4.307 3.538 ( 0.054 -2.233 1.754) 2.840 3.664 ( 5.595 -2.602 3.705) 7.197 3.682 ( -0.736 -1.725 -0.976) 2.114 3.816 ( -2.300 -0.905 8.777) 9.118 3.978 ( 1.992 -8.008 3.222) 8.859 4.144 ( 1.512 -1.932 7.819) 8.194 4.365 ( -0.797 3.781 1.155) 4.033 4.517 ( -1.341 -1.363 -5.383) 5.712 4.594 ( 2.581 6.490 -0.601) 7.010 4.693 ( -1.231 4.584 1.854) 5.096 5.072 ( 5.984 4.352 -10.609) 12.935 11.130 ( -1.216 -0.121 -1.445) 1.892 11.258 ( 1.802 1.179 1.056) 2.399 11.347 ( -0.897 -0.007 -0.635) 1.099 11.436 ( 0.581 -0.165 0.508) 0.789 14.652 ( 0.542 -0.203 -1.721) 1.816 14.766 ( -2.285 -0.510 3.209) 3.972 33.436 ( 1.844 0.965 -9.207) 9.439 34.042 ( -7.740 -6.369 13.812) 17.066 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -5.572 10.059 10.707) 15.713 0.829 ( -3.194 19.920 9.840) 22.446 1.334 ( -9.222 31.286 -0.198) 32.617 1.547 ( 10.519 -0.563 -10.144) 14.624 1.908 ( 8.539 -1.273 0.633) 8.656 2.255 ( 5.185 -5.203 -0.085) 7.346 2.288 ( -2.385 -7.428 -8.488) 11.529 2.512 ( -0.059 -6.747 -1.403) 6.892 2.633 ( -3.071 -6.296 -0.589) 7.030 2.684 ( 3.108 -0.233 6.343) 7.068 2.715 ( -9.246 -9.780 -2.106) 13.623 2.755 ( 3.391 1.322 1.890) 4.101 2.860 ( -3.085 -3.382 -4.672) 6.540 2.890 ( 0.920 -0.243 1.054) 1.420 3.072 ( -4.226 -3.299 -3.950) 6.659 3.141 ( 0.849 1.794 2.021) 2.833 3.385 ( -3.969 1.730 2.496) 4.997 3.579 ( 1.364 -3.092 -2.921) 4.467 3.683 ( 1.139 0.745 -0.599) 1.487 3.780 ( 0.247 -1.780 4.421) 4.772 3.846 ( -3.318 -2.565 4.415) 6.090 4.062 ( 3.042 1.835 0.666) 3.614 4.157 ( 0.252 1.312 -6.557) 6.692 4.296 ( -5.713 -2.420 1.795) 6.458 4.477 ( -2.954 0.132 1.048) 3.137 4.543 ( 2.041 5.342 2.836) 6.383 4.690 ( 0.393 0.313 7.971) 7.987 5.074 ( 18.115 10.768 -12.254) 24.377 11.111 ( -0.697 0.081 -0.763) 1.037 11.262 ( 1.946 2.232 -0.140) 2.964 11.339 ( -0.356 -0.190 0.016) 0.404 11.442 ( -0.073 -0.078 -0.176) 0.206 14.655 ( 0.759 -0.066 -1.284) 1.493 14.755 ( -3.202 -0.930 2.590) 4.222 33.394 ( 2.109 2.233 -6.728) 7.396 34.110 ( -14.837 -15.055 13.730) 25.205 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.396 8.074 22.622) 24.023 0.548 ( -8.038 17.861 11.740) 22.835 0.841 ( -2.323 26.303 26.503) 37.412 1.719 ( 16.561 -2.457 -9.772) 19.386 2.017 ( 5.724 0.179 -0.416) 5.742 2.201 ( -1.264 -0.297 -11.204) 11.279 2.397 ( -6.976 -4.628 1.587) 8.521 2.536 ( -0.419 -1.850 -0.786) 2.054 2.661 ( -3.298 -5.660 -2.955) 7.186 2.717 ( -8.200 -8.956 -1.696) 12.261 2.762 ( -2.621 -3.912 -1.116) 4.839 2.765 ( -5.767 -0.977 -6.896) 9.042 2.852 ( 4.898 0.002 1.417) 5.099 2.962 ( 0.799 -1.897 7.994) 8.255 3.071 ( 0.860 -2.642 -4.312) 5.129 3.149 ( -1.885 0.799 -0.059) 2.048 3.259 ( -4.388 4.003 0.368) 5.951 3.613 ( -0.483 -2.306 -5.543) 6.023 3.668 ( -0.949 3.263 1.655) 3.780 3.770 ( -3.653 -0.553 -5.356) 6.507 3.805 ( -1.239 2.178 1.939) 3.169 3.885 ( -4.915 7.600 -13.317) 16.101 4.215 ( -4.149 -2.762 -2.807) 5.720 4.413 ( 9.388 -7.969 10.387) 16.110 4.461 ( -1.929 -2.713 3.812) 5.061 4.491 ( -2.209 3.792 3.190) 5.425 4.733 ( -4.069 -2.091 11.585) 12.456 5.143 ( 35.346 20.645 -2.949) 41.040 11.103 ( 0.009 0.103 -0.063) 0.121 11.240 ( 1.320 3.663 -1.875) 4.321 11.341 ( 0.031 -0.154 0.689) 0.707 11.441 ( 0.603 0.028 0.762) 0.972 14.662 ( 1.012 0.032 -0.639) 1.197 14.732 ( -3.496 -0.813 1.142) 3.767 33.381 ( 4.398 1.636 -2.756) 5.442 34.182 ( -30.287 -26.806 0.918) 40.456 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 7.051 -0.000 15.791) 17.294 1.030 ( 13.006 -0.000 21.522) 25.147 1.644 ( 15.767 -0.000 35.545) 38.885 1.883 ( -4.894 0.000 -10.463) 11.551 1.901 ( -14.773 0.000 4.113) 15.335 2.155 ( 2.123 -0.000 -11.572) 11.765 2.158 ( 1.316 -0.000 -3.032) 3.306 2.342 ( 0.919 -0.000 -13.139) 13.171 2.571 ( 0.249 -0.000 -1.769) 1.786 2.576 ( -6.909 0.000 -8.177) 10.705 2.667 ( 2.938 -0.000 0.451) 2.973 2.732 ( -1.410 0.000 -3.118) 3.422 2.833 ( 3.675 -0.000 -0.154) 3.678 3.046 ( -0.445 0.000 -4.888) 4.909 3.187 ( 1.869 -0.000 6.612) 6.871 3.199 ( -0.989 0.000 -11.946) 11.986 3.441 ( 5.434 -0.000 8.002) 9.672 3.459 ( 1.332 -0.000 -0.958) 1.641 3.649 ( 1.002 -0.000 -4.732) 4.837 3.685 ( -6.151 0.000 7.579) 9.761 3.729 ( 0.917 -0.000 -5.224) 5.303 3.860 ( 3.233 -0.000 -3.841) 5.021 4.045 ( 0.782 -0.000 -1.818) 1.979 4.162 ( -1.844 0.000 -3.121) 3.625 4.456 ( -8.014 0.000 0.560) 8.034 4.562 ( 3.966 -0.000 2.143) 4.508 4.886 ( 2.943 -0.000 0.956) 3.094 5.603 ( -17.574 0.000 10.052) 20.246 11.160 ( -0.812 0.000 -1.588) 1.783 11.160 ( 2.065 -0.000 1.474) 2.537 11.380 ( 0.764 -0.000 1.663) 1.830 11.494 ( -3.110 0.000 -1.612) 3.503 14.675 ( -1.062 0.000 -0.809) 1.335 14.734 ( 1.563 -0.000 2.226) 2.720 33.271 ( 13.214 -0.000 -15.966) 20.725 33.730 ( 7.359 -0.000 11.310) 13.493 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 18.078 -2.059 7.922) 19.845 1.265 ( 10.819 2.952 19.507) 22.501 1.679 ( -10.840 4.592 -3.680) 12.334 1.775 ( -5.234 0.904 -3.910) 6.595 1.988 ( 1.690 -0.318 6.995) 7.204 2.076 ( 3.267 6.986 -5.265) 9.338 2.249 ( 2.342 -10.083 14.256) 17.617 2.345 ( 2.527 -3.024 -16.600) 17.061 2.438 ( -0.369 -3.692 -3.467) 5.078 2.544 ( -2.804 -0.628 -4.442) 5.290 2.653 ( -1.400 7.137 -0.735) 7.310 2.744 ( -1.491 -5.622 -4.296) 7.231 2.820 ( 3.303 2.336 3.269) 5.201 3.091 ( -1.567 -8.233 -5.704) 10.138 3.152 ( 1.958 0.428 -7.773) 8.027 3.228 ( 1.320 0.713 4.446) 4.692 3.390 ( 1.891 7.565 0.287) 7.803 3.517 ( -1.806 3.373 0.031) 3.826 3.580 ( -3.581 6.755 -0.041) 7.646 3.615 ( -4.519 1.363 1.750) 5.034 3.710 ( 0.181 -3.379 5.449) 6.414 3.905 ( 1.061 -2.973 -5.766) 6.574 4.042 ( 1.665 3.547 -0.070) 3.918 4.204 ( 0.793 -6.967 -2.257) 7.366 4.398 ( -1.903 -2.347 -0.137) 3.024 4.612 ( 4.144 1.925 0.161) 4.572 4.911 ( 2.405 0.797 -0.421) 2.568 5.422 ( -16.410 0.567 8.889) 18.672 11.147 ( -0.841 -0.735 -1.794) 2.113 11.199 ( 2.322 -0.145 1.585) 2.815 11.399 ( 0.891 0.043 1.608) 1.839 11.438 ( -2.996 0.715 -1.331) 3.356 14.658 ( -0.556 -0.064 -1.438) 1.543 14.762 ( 0.671 0.174 2.987) 3.066 33.359 ( 11.428 -0.466 -16.620) 20.176 33.876 ( 4.567 0.010 12.972) 13.752 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 20.310 0.650 -1.703) 20.392 1.438 ( -0.519 1.136 -2.109) 2.451 1.452 ( -0.182 4.307 10.920) 11.740 1.658 ( -3.884 4.112 -2.440) 6.160 1.976 ( 2.922 10.507 3.834) 11.560 2.003 ( 1.791 -0.028 -0.549) 1.874 2.237 ( -1.116 -6.040 -12.082) 13.554 2.401 ( -0.985 2.398 -6.862) 7.335 2.487 ( -1.670 -2.295 -10.754) 11.122 2.512 ( -3.856 -1.414 -1.407) 4.341 2.734 ( 1.844 -8.956 9.501) 13.186 2.796 ( 1.278 -7.238 4.202) 8.466 2.864 ( 3.135 1.611 1.193) 3.721 3.057 ( -2.302 4.268 -4.424) 6.564 3.210 ( -2.124 3.435 -4.766) 6.247 3.218 ( 1.722 0.491 5.661) 5.938 3.318 ( 1.374 -1.362 -0.513) 2.002 3.424 ( 2.483 2.820 -2.043) 4.277 3.495 ( -4.256 -0.855 5.802) 7.246 3.548 ( -2.807 2.293 1.023) 3.766 3.783 ( -2.224 -2.227 8.377) 8.948 3.856 ( -3.670 3.836 -2.276) 5.776 4.029 ( 2.898 0.240 -3.105) 4.254 4.321 ( 0.934 -8.148 -2.236) 8.501 4.459 ( 5.441 -0.779 1.905) 5.817 4.623 ( 1.101 0.964 -0.168) 1.473 4.926 ( 2.463 1.191 -2.039) 3.411 5.233 ( -13.625 1.659 3.202) 14.094 11.137 ( -0.813 -0.585 -1.687) 1.962 11.240 ( 2.275 -0.123 1.450) 2.700 11.386 ( -2.257 0.607 -1.156) 2.608 11.418 ( 0.847 0.022 1.374) 1.614 14.648 ( 0.124 -0.128 -1.841) 1.850 14.775 ( -0.549 0.417 3.161) 3.236 33.421 ( 8.118 -0.501 -13.139) 15.453 33.969 ( 0.147 0.802 12.519) 12.545 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.577 11.851 -4.487) 13.845 1.415 ( 0.280 5.788 -5.949) 8.305 1.575 ( 11.188 3.967 1.258) 11.937 1.711 ( 10.849 -6.971 2.415) 13.120 1.920 ( 7.396 11.691 8.795) 16.393 2.075 ( 4.205 -4.014 -0.744) 5.861 2.221 ( -2.767 4.729 -4.755) 7.254 2.312 ( -0.579 -6.862 -5.996) 9.131 2.506 ( -3.609 -5.748 -5.834) 8.949 2.539 ( 1.979 -7.114 -7.609) 10.603 2.776 ( -1.589 0.370 -3.158) 3.555 2.790 ( -2.967 5.119 -1.844) 6.197 2.891 ( -1.935 5.836 3.995) 7.332 2.930 ( -2.902 9.395 5.026) 11.043 3.030 ( -4.473 -2.660 -8.364) 9.851 3.295 ( -0.273 -1.708 3.534) 3.935 3.348 ( -1.672 2.158 3.492) 4.432 3.465 ( 1.754 -2.254 0.658) 2.931 3.513 ( -0.213 -2.824 1.321) 3.125 3.647 ( 6.341 -8.575 6.397) 12.436 3.760 ( -2.795 0.313 3.684) 4.635 3.800 ( -4.803 -1.472 7.769) 9.252 4.062 ( 1.253 -2.399 -0.505) 2.753 4.404 ( -2.050 -5.945 -2.603) 6.806 4.513 ( 2.056 5.148 2.789) 6.205 4.649 ( 3.575 -1.266 0.898) 3.897 4.891 ( -1.546 5.703 -1.088) 6.008 5.094 ( -1.861 -1.635 -6.769) 7.208 11.125 ( -0.651 -0.225 -1.259) 1.435 11.276 ( 2.075 0.120 0.942) 2.282 11.351 ( -1.411 0.254 -0.745) 1.616 11.434 ( 0.566 -0.001 0.924) 1.084 14.647 ( 0.685 -0.182 -1.760) 1.897 14.769 ( -1.548 0.514 2.742) 3.190 33.456 ( 5.611 0.452 -9.613) 11.139 33.980 ( -5.590 1.114 11.360) 12.710 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -2.483 13.190 4.326) 14.101 1.303 ( 3.004 10.416 -0.996) 10.886 1.613 ( 7.582 6.792 -3.827) 10.874 1.917 ( 4.173 2.837 5.355) 7.358 1.970 ( 10.737 -6.724 -4.507) 13.447 2.114 ( 3.348 11.762 -2.350) 12.453 2.216 ( 2.329 -5.614 0.462) 6.095 2.319 ( -0.099 2.508 -4.908) 5.513 2.484 ( -3.548 -2.073 -1.072) 4.246 2.585 ( -5.982 0.971 0.810) 6.114 2.631 ( 1.927 -5.168 -6.435) 8.475 2.789 ( -1.151 3.300 -1.877) 3.967 2.828 ( -0.106 -1.626 2.876) 3.305 2.834 ( -0.415 0.151 0.475) 0.648 2.966 ( -6.444 -1.857 -2.812) 7.272 3.272 ( -2.554 3.901 5.707) 7.370 3.348 ( -1.866 -2.973 -1.590) 3.853 3.489 ( -1.177 -2.537 0.842) 2.920 3.618 ( 0.813 -4.704 2.062) 5.201 3.710 ( 0.577 -1.807 -1.134) 2.210 3.793 ( -3.912 -1.322 7.390) 8.466 3.920 ( 4.332 -7.857 3.303) 9.561 4.140 ( -0.524 -4.804 6.688) 8.251 4.377 ( -6.828 3.848 -2.512) 8.230 4.442 ( -4.014 -1.205 2.817) 5.050 4.697 ( 2.325 3.227 -0.038) 3.978 4.753 ( -1.855 5.641 -0.165) 5.941 5.178 ( 14.240 -2.738 -11.015) 18.210 11.114 ( -0.331 0.093 -0.617) 0.706 11.300 ( 1.934 0.521 -0.141) 2.008 11.334 ( -0.608 -0.108 -0.108) 0.627 11.441 ( 0.115 0.040 0.396) 0.414 14.653 ( 1.013 -0.124 -1.277) 1.635 14.749 ( -1.977 0.442 1.884) 2.767 33.462 ( 4.452 2.177 -6.403) 8.097 33.906 ( -12.784 -0.279 10.598) 16.608 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -1.254 11.308 13.882) 17.949 1.130 ( -0.869 19.625 5.771) 20.474 1.629 ( 8.921 1.285 -10.043) 13.494 1.779 ( 3.067 29.080 7.081) 30.087 2.035 ( 7.798 1.158 4.931) 9.299 2.117 ( -0.004 -7.501 -5.914) 9.552 2.279 ( 3.302 0.604 -4.435) 5.562 2.355 ( -0.789 -8.207 -5.693) 10.020 2.461 ( -6.476 -2.799 2.169) 7.381 2.590 ( -1.855 -5.679 2.296) 6.401 2.637 ( 0.210 -1.889 -7.502) 7.739 2.787 ( -5.387 0.232 1.590) 5.622 2.838 ( 1.742 -4.027 2.990) 5.310 2.884 ( 2.780 -1.207 2.022) 3.643 2.961 ( 2.473 -3.209 -1.298) 4.254 3.209 ( -3.606 2.405 4.154) 6.004 3.314 ( -5.522 0.250 1.224) 5.661 3.521 ( 0.627 -3.579 -4.685) 5.929 3.661 ( -0.722 -2.942 -1.430) 3.350 3.733 ( -3.121 -2.810 0.369) 4.216 3.805 ( -3.021 -0.662 5.652) 6.443 4.119 ( 0.292 -2.034 -4.127) 4.610 4.161 ( 3.384 1.767 -2.062) 4.339 4.172 ( -7.019 -2.018 0.594) 7.328 4.466 ( -2.883 -1.644 11.695) 12.157 4.621 ( -1.042 4.995 -0.655) 5.144 4.707 ( -1.921 1.075 0.966) 2.404 5.396 ( 21.640 -0.776 -10.431) 24.035 11.109 ( 0.175 0.269 0.090) 0.334 11.309 ( 1.562 1.004 -2.244) 2.913 11.335 ( -0.004 -0.278 0.554) 0.620 11.443 ( 0.164 0.045 0.452) 0.482 14.663 ( 1.211 0.032 -0.590) 1.347 14.725 ( -1.683 0.354 0.774) 1.886 33.459 ( 5.034 3.348 -2.802) 6.664 33.752 ( -22.001 -2.987 10.119) 24.400 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -4.618 8.035 19.326) 21.433 0.816 ( -2.916 21.402 9.404) 23.558 1.454 ( 9.111 29.709 23.622) 39.034 1.804 ( 9.570 -5.761 -7.824) 13.637 2.095 ( 4.514 3.015 -5.370) 7.636 2.182 ( 3.512 -2.007 -4.372) 5.956 2.238 ( -8.970 -2.782 -1.768) 9.557 2.383 ( -6.847 -7.221 -0.254) 9.954 2.487 ( 2.694 -4.529 -3.198) 6.164 2.627 ( -0.642 -1.296 -8.081) 8.209 2.650 ( -0.916 -0.799 1.984) 2.327 2.718 ( -4.697 -2.521 3.498) 6.376 2.887 ( -1.200 0.754 -2.185) 2.605 2.991 ( 3.019 -3.082 5.006) 6.608 3.039 ( 5.076 -2.648 -1.853) 6.018 3.177 ( 0.981 0.941 3.310) 3.578 3.268 ( 0.092 1.379 4.938) 5.127 3.542 ( -0.445 -3.316 -7.126) 7.872 3.683 ( -4.587 2.875 -3.994) 6.727 3.688 ( -1.053 -3.439 -1.664) 3.963 3.783 ( -3.546 0.528 3.677) 5.136 3.901 ( -1.721 6.383 -10.594) 12.487 4.092 ( -5.711 -2.078 -3.841) 7.190 4.447 ( 6.092 -7.599 8.385) 12.852 4.483 ( 0.479 2.544 0.711) 2.685 4.525 ( -2.723 2.668 5.692) 6.851 4.672 ( -5.312 -1.510 4.887) 7.374 5.646 ( 18.449 -1.972 -9.122) 20.675 11.113 ( 0.828 0.289 0.717) 1.133 11.276 ( -0.756 2.349 -4.347) 4.999 11.346 ( 0.353 -0.269 1.188) 1.268 11.466 ( 2.211 -1.222 0.492) 2.574 14.679 ( 1.476 0.116 0.206) 1.495 14.705 ( -0.753 0.320 -0.278) 0.864 33.489 ( 6.742 2.824 1.904) 7.554 33.491 ( -28.409 -1.487 8.543) 29.703 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 25.453 -0.000 2.603) 25.586 1.453 ( 1.529 -0.000 5.857) 6.053 1.661 ( 0.887 -0.000 3.581) 3.690 1.664 ( -3.970 0.000 -6.121) 7.296 2.008 ( -9.826 0.000 -0.376) 9.834 2.123 ( 5.285 -0.000 -2.189) 5.720 2.235 ( -1.385 0.000 -9.802) 9.899 2.287 ( 2.707 -0.000 -17.908) 18.112 2.394 ( 3.814 -0.000 16.891) 17.317 2.535 ( 2.279 -0.000 6.119) 6.529 2.651 ( -1.602 0.000 -3.778) 4.104 2.745 ( 2.778 -0.000 2.705) 3.878 2.910 ( -4.369 0.000 -8.483) 9.542 2.914 ( 1.849 -0.000 6.447) 6.707 3.175 ( 4.870 -0.000 -6.153) 7.847 3.246 ( -1.409 0.000 1.337) 1.942 3.432 ( -4.026 0.000 -0.319) 4.038 3.488 ( -3.610 0.000 -2.305) 4.283 3.592 ( -6.552 0.000 9.553) 11.585 3.598 ( -4.798 0.000 -7.088) 8.559 3.728 ( 3.300 -0.000 10.633) 11.133 3.822 ( -0.251 0.000 -6.449) 6.454 4.122 ( 4.170 -0.000 -0.137) 4.172 4.177 ( 2.886 -0.000 -1.888) 3.449 4.366 ( 1.444 -0.000 0.747) 1.626 4.671 ( 2.123 -0.000 -1.526) 2.615 4.915 ( -0.121 0.000 -2.692) 2.695 5.264 ( -14.598 0.000 8.241) 16.763 11.127 ( -0.360 0.000 -1.400) 1.446 11.237 ( 2.357 -0.000 1.317) 2.700 11.397 ( -2.718 0.000 -1.211) 2.975 11.419 ( 0.826 -0.000 1.371) 1.601 14.646 ( 0.185 -0.000 -1.991) 1.999 14.782 ( -0.381 0.000 3.260) 3.283 33.417 ( 9.554 -0.000 -14.960) 17.750 33.987 ( 1.453 -0.000 13.112) 13.192 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.696 6.156 -5.201) 8.089 1.540 ( -0.070 3.270 -1.576) 3.631 1.626 ( 24.608 0.484 -0.922) 24.630 1.674 ( -4.166 2.746 0.345) 5.001 1.952 ( -1.741 -7.669 1.446) 7.996 2.132 ( 5.711 0.953 -10.330) 11.842 2.201 ( 4.673 8.445 6.838) 11.829 2.304 ( 3.862 -8.035 -14.127) 16.705 2.411 ( -2.228 0.058 -3.389) 4.057 2.558 ( -4.503 10.494 -2.418) 11.672 2.658 ( -0.951 -1.422 0.105) 1.714 2.761 ( 2.986 -6.461 12.269) 14.184 2.943 ( 1.289 0.960 4.158) 4.458 3.007 ( -0.594 -5.738 1.273) 5.908 3.194 ( 0.291 -0.248 0.546) 0.666 3.217 ( -2.649 -2.420 -1.615) 3.935 3.306 ( -7.160 5.706 -2.064) 9.386 3.461 ( -4.582 0.960 2.523) 5.318 3.478 ( 2.818 -1.590 2.516) 4.099 3.586 ( -2.284 -0.228 1.577) 2.785 3.742 ( -0.373 2.525 3.844) 4.615 3.856 ( -1.249 -1.585 1.125) 2.310 4.081 ( 1.017 7.682 -1.832) 7.962 4.239 ( 1.914 -3.969 -1.446) 4.638 4.503 ( 7.406 -8.188 1.792) 11.185 4.642 ( -1.999 2.777 -1.087) 3.590 4.905 ( -0.680 -2.395 -5.005) 5.590 5.108 ( -11.109 1.801 3.515) 11.790 11.119 ( -0.126 -0.129 -0.965) 0.982 11.274 ( 2.039 -0.127 0.849) 2.212 11.358 ( -1.895 0.196 -0.825) 2.076 11.434 ( 0.594 0.020 0.987) 1.152 14.643 ( 0.813 -0.057 -2.015) 2.173 14.784 ( -1.311 0.365 2.830) 3.141 33.465 ( 7.654 0.200 -10.603) 13.079 34.034 ( -2.421 1.565 11.168) 11.534 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -2.478 11.110 0.077) 11.383 1.504 ( 3.391 5.583 -5.167) 8.328 1.627 ( 0.227 -3.598 2.503) 4.389 1.918 ( 20.476 1.388 -6.775) 21.612 2.080 ( 4.567 -3.638 1.942) 6.153 2.194 ( 2.923 -6.696 -6.527) 9.797 2.211 ( 5.845 9.506 4.618) 12.077 2.246 ( -2.544 6.371 -3.599) 7.747 2.419 ( -1.526 -1.123 -1.177) 2.230 2.439 ( 6.520 -4.200 -7.837) 11.026 2.687 ( -0.683 -3.729 1.192) 3.974 2.845 ( -5.172 0.745 0.875) 5.298 2.913 ( -2.122 4.319 4.236) 6.411 2.971 ( -1.081 3.917 -2.076) 4.564 3.050 ( -5.200 8.755 -0.140) 10.184 3.197 ( -6.029 -5.249 2.324) 8.325 3.320 ( -4.370 -3.191 7.183) 8.993 3.465 ( 1.388 -5.348 -1.708) 5.783 3.549 ( 0.959 3.477 -0.181) 3.611 3.654 ( 6.339 -4.706 5.710) 9.743 3.714 ( 0.189 2.013 3.513) 4.053 3.808 ( -5.299 2.526 7.638) 9.633 4.017 ( -1.647 -2.535 -1.500) 3.375 4.298 ( -1.284 -3.896 -0.442) 4.125 4.526 ( -7.319 2.510 -0.706) 7.770 4.726 ( 7.641 -1.495 1.781) 7.987 4.907 ( -1.483 1.055 -4.083) 4.471 4.998 ( -0.149 -5.510 -5.576) 7.841 11.116 ( 0.076 0.050 -0.375) 0.386 11.302 ( 1.493 -0.192 0.099) 1.509 11.334 ( -0.962 0.090 -0.232) 0.994 11.443 ( 0.210 0.054 0.498) 0.543 14.649 ( 1.265 -0.094 -1.477) 1.947 14.768 ( -1.698 0.643 1.849) 2.592 33.508 ( 6.340 1.057 -6.097) 8.859 33.984 ( -6.718 3.883 8.378) 11.419 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.913 11.343 6.611) 13.268 1.461 ( 3.881 3.450 -1.087) 5.306 1.728 ( 4.852 1.727 -2.790) 5.858 1.923 ( -1.791 4.669 -2.227) 5.475 2.113 ( 6.208 4.058 -2.751) 7.910 2.210 ( 8.682 -2.300 -4.580) 10.081 2.295 ( 1.524 -3.339 -0.761) 3.748 2.334 ( 7.100 0.238 1.926) 7.360 2.396 ( -0.723 -0.781 0.628) 1.236 2.573 ( 6.737 -3.314 -5.924) 9.563 2.666 ( -6.334 7.156 -3.094) 10.045 2.714 ( -5.222 1.717 2.750) 6.146 2.835 ( 5.359 3.918 -2.981) 7.277 2.875 ( -2.031 3.858 6.350) 7.703 2.960 ( -3.284 1.746 4.590) 5.908 3.190 ( -7.736 -3.223 4.137) 9.346 3.308 ( -2.632 -0.551 4.145) 4.941 3.499 ( 2.235 4.182 -2.974) 5.597 3.548 ( -2.964 -5.463 -0.220) 6.219 3.664 ( -0.861 -0.381 1.057) 1.415 3.770 ( -3.066 -1.499 4.533) 5.674 3.884 ( 4.207 -8.224 4.316) 10.196 4.068 ( -3.189 -5.196 2.873) 6.740 4.299 ( -4.941 -0.165 -1.250) 5.099 4.398 ( -4.429 0.343 2.648) 5.172 4.742 ( -0.411 2.350 -3.574) 4.297 4.799 ( -1.505 5.067 -2.828) 5.995 5.215 ( 11.700 -11.046 -6.376) 17.308 11.117 ( 0.365 0.255 0.317) 0.547 11.318 ( 0.696 -0.117 -1.132) 1.334 11.328 ( -0.127 -0.149 0.478) 0.516 11.444 ( -0.127 0.050 0.107) 0.174 14.664 ( 1.504 -0.016 -0.615) 1.625 14.742 ( -1.460 0.697 0.657) 1.746 33.543 ( 5.689 2.374 -1.984) 6.476 33.833 ( -10.408 6.002 5.625) 13.266 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -2.904 10.611 10.436) 15.163 1.412 ( 0.161 16.411 5.361) 17.265 1.643 ( 1.654 -2.921 -9.432) 10.011 1.992 ( 2.633 -3.015 2.450) 4.694 2.113 ( 4.113 2.914 -4.657) 6.863 2.223 ( -5.216 1.006 -7.251) 8.989 2.299 ( -4.349 0.212 -0.650) 4.402 2.335 ( 7.542 11.273 6.159) 14.896 2.437 ( 2.623 5.228 -0.897) 5.917 2.522 ( 2.677 -0.589 6.017) 6.612 2.597 ( 1.070 -1.432 -3.809) 4.208 2.716 ( -5.663 1.646 3.457) 6.836 2.842 ( 5.275 -4.743 1.298) 7.211 2.897 ( -1.858 0.110 0.714) 1.994 2.990 ( 6.832 -2.552 0.574) 7.316 3.157 ( -2.855 -0.943 6.160) 6.855 3.322 ( 0.447 0.614 5.825) 5.874 3.466 ( -0.275 -0.362 -6.596) 6.612 3.555 ( -4.867 -5.492 -2.826) 7.863 3.661 ( -2.229 -1.312 0.025) 2.586 3.794 ( -1.367 -1.403 4.718) 5.109 3.994 ( -8.738 -4.582 -0.225) 9.869 4.062 ( -3.610 1.273 -5.819) 6.965 4.245 ( 8.092 -3.105 -0.354) 8.675 4.444 ( -3.084 -3.848 11.305) 12.334 4.657 ( -1.973 3.594 -5.353) 6.743 4.708 ( -0.960 3.839 -2.336) 4.595 5.477 ( 8.735 -9.524 -5.429) 14.017 11.123 ( 0.801 0.355 0.976) 1.312 11.308 ( -0.686 0.304 -2.717) 2.819 11.337 ( 0.431 -0.257 1.101) 1.210 11.444 ( -0.028 -0.408 0.012) 0.409 14.683 ( 1.573 0.135 0.325) 1.612 14.718 ( -0.945 0.543 -0.347) 1.143 33.567 ( 0.182 3.908 2.642) 4.720 33.621 ( -5.094 6.932 2.100) 8.855 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -1.907 9.305 12.246) 15.498 1.145 ( 0.140 20.579 8.451) 22.247 1.738 ( 1.332 -8.504 -4.257) 9.603 1.918 ( -6.222 6.671 7.276) 11.668 2.086 ( -5.643 2.264 -13.776) 15.058 2.143 ( -4.888 -3.423 -5.703) 8.254 2.221 ( 7.655 9.411 7.681) 14.358 2.321 ( 8.265 5.331 5.933) 11.486 2.473 ( 2.604 -1.924 -2.194) 3.911 2.588 ( -5.540 -2.370 3.878) 7.166 2.622 ( -5.304 -0.363 -0.147) 5.319 2.650 ( 4.718 -3.538 1.096) 5.998 2.855 ( 2.636 0.370 -5.937) 6.506 3.030 ( 4.549 -3.735 6.456) 8.737 3.112 ( 6.948 0.501 0.893) 7.023 3.208 ( 1.026 -2.097 4.935) 5.459 3.341 ( 1.093 3.142 3.193) 4.611 3.444 ( 0.769 -3.564 -8.834) 9.557 3.561 ( -4.149 -6.144 -3.684) 8.279 3.631 ( -3.828 -0.293 -1.743) 4.216 3.776 ( -2.889 2.233 0.997) 3.785 3.906 ( -1.681 1.749 -5.010) 5.567 3.969 ( -3.171 -2.714 -2.831) 5.043 4.463 ( 1.779 -4.336 8.149) 9.401 4.482 ( -1.624 -1.769 -0.853) 2.549 4.548 ( -1.182 3.919 -1.318) 4.300 4.659 ( 2.080 0.427 1.236) 2.457 5.626 ( -1.981 -6.967 -3.029) 7.851 11.139 ( 1.362 0.342 1.446) 2.016 11.260 ( -2.068 1.398 -3.373) 4.196 11.356 ( 0.731 -0.241 1.536) 1.718 11.456 ( -0.327 -1.523 -0.426) 1.615 14.698 ( -0.857 0.287 -0.774) 1.189 14.706 ( 1.549 0.165 1.231) 1.986 33.387 ( -3.425 7.309 -2.158) 8.355 33.648 ( 6.928 3.087 6.012) 9.678 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -4.769 0.000 -2.049) 5.190 1.506 ( -1.055 0.000 -2.828) 3.018 1.596 ( 3.577 -0.000 -4.223) 5.534 1.940 ( 3.513 -0.000 6.143) 7.076 1.955 ( 23.752 -0.000 -8.025) 25.071 2.169 ( 2.281 -0.000 -10.145) 10.398 2.236 ( 7.013 -0.000 -5.403) 8.853 2.358 ( 3.704 -0.000 -2.878) 4.690 2.403 ( 1.786 -0.000 1.774) 2.517 2.504 ( -4.684 0.000 -1.975) 5.084 2.697 ( -1.086 0.000 5.310) 5.420 2.807 ( 0.130 -0.000 1.309) 1.315 2.927 ( -0.562 0.000 4.625) 4.659 3.026 ( -0.053 0.000 8.316) 8.317 3.101 ( -5.687 0.000 -0.254) 5.693 3.193 ( -7.352 0.000 5.096) 8.945 3.268 ( -1.188 0.000 -1.636) 2.022 3.384 ( -4.752 0.000 -4.748) 6.718 3.534 ( -1.919 0.000 3.068) 3.619 3.548 ( 4.785 -0.000 11.128) 12.114 3.800 ( -6.086 0.000 7.713) 9.825 3.812 ( 3.365 -0.000 -5.438) 6.395 4.216 ( 1.429 -0.000 -2.298) 2.706 4.218 ( 1.433 -0.000 -2.074) 2.521 4.502 ( 5.976 -0.000 1.944) 6.284 4.612 ( -3.249 0.000 -2.836) 4.313 4.834 ( -2.326 0.000 -5.150) 5.651 5.014 ( -6.726 0.000 0.369) 6.736 11.117 ( 0.263 -0.000 -0.239) 0.356 11.298 ( 1.386 -0.000 0.156) 1.395 11.336 ( -1.129 0.000 -0.278) 1.163 11.444 ( 0.236 -0.000 0.478) 0.533 14.648 ( 1.364 -0.000 -1.626) 2.122 14.778 ( -1.765 0.000 1.938) 2.622 33.523 ( 7.079 -0.000 -6.080) 9.332 34.049 ( -4.733 0.000 8.145) 9.420 ======================= Grid point 95 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -2.079 7.417 1.067) 7.776 1.480 ( -4.002 -1.604 -0.699) 4.368 1.725 ( 13.410 0.693 -3.240) 13.813 2.022 ( -0.040 -3.334 0.259) 3.344 2.151 ( 6.224 0.395 -6.108) 8.729 2.158 ( 6.560 -0.385 -4.840) 8.161 2.276 ( 0.331 4.076 -1.684) 4.422 2.358 ( 2.869 -3.867 -3.300) 5.838 2.446 ( 9.291 3.948 2.207) 10.333 2.519 ( 8.210 2.202 -3.852) 9.332 2.635 ( -5.877 1.695 0.192) 6.120 2.833 ( -1.447 -0.612 2.868) 3.270 2.895 ( -6.395 -2.356 1.618) 7.005 3.004 ( -6.537 0.410 -0.085) 6.550 3.018 ( -2.111 4.360 5.697) 7.478 3.143 ( -3.857 2.281 4.543) 6.381 3.283 ( 0.179 -1.197 9.137) 9.217 3.364 ( -0.223 -4.691 -1.300) 4.873 3.546 ( -0.316 -1.728 0.682) 1.885 3.713 ( -0.082 -4.027 13.061) 13.668 3.737 ( -3.762 -1.299 1.319) 4.192 3.854 ( 3.788 -2.093 0.075) 4.329 4.022 ( -3.454 15.025 -2.723) 15.655 4.258 ( 0.273 -1.484 -1.580) 2.185 4.459 ( -4.895 3.934 -2.130) 6.631 4.780 ( -3.239 -5.348 -8.431) 10.496 4.788 ( 8.418 -9.302 0.005) 12.545 4.933 ( -2.526 0.881 -2.026) 3.356 11.122 ( 0.483 0.108 0.488) 0.694 11.312 ( 0.540 -0.172 -0.626) 0.844 11.326 ( -0.318 -0.001 0.350) 0.473 11.445 ( -0.183 0.026 -0.068) 0.197 14.663 ( 1.742 -0.016 -0.719) 1.885 14.758 ( -1.753 0.319 0.725) 1.924 33.590 ( 6.624 0.898 -1.273) 6.804 33.982 ( -6.707 3.266 4.377) 8.649 ======================= Grid point 96 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -1.092 9.456 3.602) 10.178 1.483 ( 1.478 -1.852 -1.123) 2.622 1.806 ( 0.321 5.609 -1.537) 5.824 1.969 ( 0.584 -1.361 -3.174) 3.503 2.186 ( 1.291 0.710 -2.260) 2.698 2.255 ( 3.949 2.233 4.828) 6.625 2.265 ( 0.884 -1.271 -5.447) 5.662 2.321 ( -3.055 2.627 -1.992) 4.494 2.547 ( 7.855 1.905 -0.774) 8.120 2.571 ( 3.443 0.721 -6.318) 7.232 2.621 ( 5.706 -5.059 0.096) 7.627 2.777 ( -8.512 4.408 5.437) 11.020 2.817 ( -7.467 -1.734 0.073) 7.666 2.948 ( 1.550 3.777 5.093) 6.527 3.001 ( 6.210 1.178 -0.325) 6.329 3.137 ( -2.018 -0.946 8.670) 8.952 3.327 ( 0.488 1.134 9.322) 9.403 3.420 ( -4.413 -3.486 -0.583) 5.655 3.562 ( -0.222 -2.383 -0.800) 2.524 3.686 ( -5.095 2.410 1.085) 5.740 3.740 ( -1.645 8.800 -0.030) 8.952 3.861 ( 1.688 -3.884 6.523) 7.777 3.959 ( -0.708 -5.123 1.292) 5.331 4.252 ( -0.687 0.186 -3.436) 3.509 4.372 ( -0.616 0.250 0.645) 0.926 4.706 ( -3.613 0.211 -7.706) 8.514 4.830 ( -0.236 3.467 -4.554) 5.729 5.121 ( 5.950 -14.945 -1.685) 16.174 11.132 ( 0.699 0.224 1.167) 1.379 11.308 ( -0.634 -0.157 -1.654) 1.778 11.332 ( 0.505 -0.103 1.022) 1.145 11.439 ( -0.524 -0.055 -0.495) 0.724 14.686 ( 1.837 0.097 0.420) 1.887 14.732 ( -1.387 0.394 -0.413) 1.500 33.658 ( 5.924 2.374 2.968) 7.038 33.830 ( -6.846 6.410 0.571) 9.395 ======================= Grid point 97 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.181 10.229 4.317) 11.104 1.522 ( -2.405 -4.938 -6.031) 8.157 1.649 ( -0.496 11.858 6.493) 13.528 2.018 ( -8.369 -3.443 -4.983) 10.331 2.070 ( -4.995 7.332 1.714) 9.036 2.167 ( 1.042 2.087 -6.426) 6.836 2.244 ( -0.925 -0.551 -3.645) 3.801 2.383 ( 2.640 -2.463 0.674) 3.673 2.541 ( -7.493 -0.394 3.764) 8.395 2.573 ( -1.459 -1.615 -5.121) 5.565 2.636 ( 3.287 3.014 -0.068) 4.460 2.761 ( 3.394 5.944 1.816) 7.081 2.847 ( 7.439 -5.859 4.864) 10.646 2.986 ( 4.672 5.007 6.299) 9.305 3.090 ( 8.414 1.157 2.589) 8.879 3.175 ( 0.055 -1.061 7.448) 7.523 3.366 ( -4.871 -3.961 5.204) 8.155 3.388 ( -0.147 -1.104 -4.885) 5.010 3.473 ( 0.172 7.322 -0.405) 7.335 3.626 ( -2.686 0.463 0.232) 2.736 3.734 ( -3.731 -6.825 3.485) 8.523 3.854 ( -5.761 1.461 1.646) 6.167 4.032 ( 1.131 0.436 -3.036) 3.269 4.282 ( 7.403 -5.267 -2.346) 9.383 4.411 ( -0.595 -2.153 3.700) 4.322 4.614 ( -3.345 0.340 -6.016) 6.892 4.755 ( 0.531 4.108 -4.141) 5.858 5.352 ( 0.147 -12.322 -2.162) 12.511 11.147 ( 1.039 0.223 1.697) 2.002 11.281 ( -1.726 0.230 -2.563) 3.098 11.350 ( 0.938 -0.127 1.471) 1.749 11.430 ( -0.773 -0.447 -0.756) 1.170 14.706 ( -0.858 0.298 -0.823) 1.226 14.712 ( 1.383 0.287 1.213) 1.861 33.615 ( -3.827 7.913 -2.291) 9.084 33.744 ( 5.363 3.355 5.518) 8.394 ======================= Grid point 98 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 4.797 8.689 4.797) 11.024 1.450 ( 0.230 11.237 5.631) 12.571 1.592 ( -2.954 -3.925 -0.725) 4.965 1.787 ( -15.415 0.697 -0.649) 15.444 1.945 ( -12.841 0.065 -9.462) 15.951 2.050 ( -0.003 2.959 -1.572) 3.351 2.324 ( 2.348 -4.137 -7.817) 9.150 2.436 ( 2.045 -2.871 0.754) 3.604 2.501 ( -0.167 0.766 2.088) 2.230 2.567 ( -0.081 -1.797 -0.917) 2.019 2.688 ( 6.856 1.158 -0.322) 6.961 2.742 ( 4.842 8.140 8.725) 12.878 2.924 ( 3.507 4.487 -0.983) 5.780 3.057 ( 1.803 -2.667 7.569) 8.225 3.189 ( -2.588 -0.296 3.979) 4.756 3.212 ( 3.533 0.355 2.951) 4.616 3.319 ( -3.002 -0.655 -5.483) 6.285 3.373 ( -2.029 -1.332 -4.812) 5.389 3.509 ( 3.504 -1.369 6.708) 7.691 3.587 ( 1.104 0.347 -1.367) 1.791 3.752 ( -5.199 -0.470 0.088) 5.221 3.817 ( -1.744 -3.529 3.311) 5.144 3.976 ( 2.774 3.502 -5.277) 6.914 4.406 ( -4.357 -0.864 1.463) 4.677 4.485 ( 6.476 -4.316 -2.345) 8.128 4.574 ( 0.997 0.166 -0.818) 1.301 4.706 ( 2.375 0.954 -1.211) 2.832 5.437 ( -7.609 -7.899 -1.302) 11.045 11.171 ( 1.512 0.145 1.932) 2.458 11.232 ( -2.205 0.864 -2.824) 3.685 11.374 ( 1.080 -0.095 1.666) 1.988 11.422 ( -1.269 -0.961 -1.008) 1.884 14.683 ( -0.948 0.249 -1.299) 1.628 14.736 ( 1.054 0.258 2.343) 2.582 33.463 ( 1.622 6.548 -7.551) 10.126 33.811 ( 5.046 2.884 9.341) 11.001 ======================= Grid point 103 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 0.286 -0.000 -0.112) 0.307 1.451 ( 2.148 -0.000 1.238) 2.479 1.825 ( 3.987 -0.000 -5.283) 6.619 1.969 ( -6.565 0.000 2.368) 6.979 2.202 ( 4.988 -0.000 -11.772) 12.785 2.224 ( 7.937 -0.000 1.310) 8.045 2.309 ( -0.732 0.000 7.136) 7.173 2.365 ( 3.311 -0.000 -4.271) 5.404 2.516 ( -7.337 0.000 -7.397) 10.419 2.584 ( 4.753 -0.000 -3.649) 5.992 2.655 ( 4.825 -0.000 1.065) 4.941 2.795 ( -4.861 0.000 -0.929) 4.949 2.806 ( 3.999 -0.000 3.753) 5.485 2.956 ( -5.774 0.000 6.639) 8.799 3.083 ( -4.113 0.000 9.793) 10.621 3.102 ( -2.046 0.000 3.433) 3.997 3.354 ( 3.316 -0.000 1.508) 3.643 3.360 ( 2.196 -0.000 7.488) 7.804 3.548 ( 0.919 -0.000 2.723) 2.874 3.584 ( -10.619 0.000 3.068) 11.053 3.767 ( -1.971 0.000 9.522) 9.724 3.854 ( 3.016 -0.000 -3.468) 4.596 4.139 ( 0.580 -0.000 -2.176) 2.252 4.221 ( 0.823 -0.000 -2.833) 2.950 4.546 ( 0.358 -0.000 -6.095) 6.105 4.546 ( -3.900 0.000 -3.477) 5.225 4.812 ( 4.541 -0.000 -1.527) 4.791 4.898 ( -1.251 0.000 -4.131) 4.317 11.135 ( 0.626 -0.000 1.230) 1.380 11.305 ( -0.607 0.000 -1.357) 1.487 11.331 ( 0.525 -0.000 0.989) 1.119 11.438 ( -0.584 0.000 -0.635) 0.862 14.688 ( 2.004 -0.000 0.449) 2.054 14.738 ( -1.590 0.000 -0.460) 1.655 33.693 ( 6.592 -0.000 3.655) 7.537 33.928 ( -6.768 0.000 0.143) 6.770 ======================= Grid point 104 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 2.735 8.205 -0.067) 8.649 1.469 ( -0.439 0.251 -3.364) 3.402 1.842 ( -5.928 -2.011 -0.150) 6.262 1.900 ( 1.546 -0.549 3.468) 3.836 2.076 ( -12.451 1.288 -9.288) 15.586 2.267 ( 3.928 1.022 -1.900) 4.482 2.336 ( 1.274 1.063 -6.805) 7.004 2.376 ( -13.633 -3.927 -2.666) 14.436 2.473 ( 6.857 2.218 2.331) 7.574 2.593 ( 3.758 1.662 -2.621) 4.874 2.681 ( 0.500 0.631 6.969) 7.015 2.755 ( 0.488 0.429 -4.095) 4.146 2.837 ( -2.207 2.713 7.858) 8.601 2.999 ( 3.048 -5.296 6.481) 8.907 3.082 ( 6.000 0.774 3.595) 7.038 3.141 ( -0.885 -0.658 7.020) 7.106 3.362 ( -1.002 2.268 -0.865) 2.626 3.431 ( -0.768 3.151 8.177) 8.797 3.489 ( -0.052 -4.888 0.951) 4.980 3.610 ( -2.822 -2.022 1.510) 3.786 3.763 ( -4.328 0.061 4.454) 6.211 3.899 ( 3.922 -2.361 0.216) 4.583 4.059 ( 3.120 12.023 2.137) 12.604 4.235 ( 1.262 -0.570 -3.852) 4.093 4.402 ( 1.769 2.838 -2.201) 4.004 4.578 ( -5.095 -3.714 -7.807) 10.035 4.840 ( 0.227 1.730 -5.994) 6.243 4.970 ( 2.591 -11.995 -0.907) 12.306 11.151 ( 0.697 0.054 1.790) 1.921 11.282 ( -1.549 -0.035 -1.972) 2.508 11.349 ( 1.112 -0.016 1.391) 1.782 11.424 ( -0.886 -0.054 -1.037) 1.365 14.713 ( -1.102 0.151 -1.287) 1.701 14.719 ( 1.758 0.133 1.621) 2.395 33.785 ( 0.925 3.346 3.004) 4.590 33.818 ( -0.872 1.576 1.027) 2.074 ======================= Grid point 105 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -2.908 7.049 -3.630) 8.445 1.425 ( -0.091 2.302 -2.236) 3.211 1.735 ( -10.902 1.538 1.504) 11.112 1.826 ( -12.099 -0.402 -7.394) 14.185 2.050 ( -6.014 3.431 0.105) 6.925 2.101 ( -4.513 -2.730 2.420) 5.803 2.255 ( -2.627 2.141 -7.041) 7.814 2.371 ( 1.644 -6.146 -2.614) 6.879 2.443 ( 3.449 6.186 0.281) 7.089 2.611 ( 0.218 0.718 -0.237) 0.787 2.704 ( 1.204 1.931 -0.551) 2.342 2.839 ( 4.346 1.047 -3.290) 5.550 2.872 ( 4.149 -6.289 8.641) 11.464 3.108 ( -0.430 4.205 3.428) 5.442 3.147 ( -0.858 -2.853 9.861) 10.302 3.217 ( 7.155 -2.179 1.724) 7.675 3.323 ( -2.161 1.134 -4.860) 5.439 3.384 ( 0.175 1.564 2.911) 3.310 3.563 ( -1.868 -2.002 0.362) 2.762 3.595 ( -0.238 0.087 9.015) 9.018 3.702 ( 0.015 5.731 3.977) 6.976 3.901 ( 0.753 7.396 5.206) 9.076 4.061 ( 3.591 -0.205 -1.042) 3.745 4.276 ( 5.784 -5.652 -3.570) 8.840 4.405 ( 0.592 1.119 -4.265) 4.449 4.531 ( -2.082 -3.160 -2.605) 4.594 4.779 ( 0.001 2.332 -6.320) 6.736 5.145 ( -2.509 -12.071 -2.158) 12.516 11.171 ( 0.897 -0.086 2.104) 2.289 11.245 ( -2.158 0.175 -2.423) 3.249 11.373 ( 1.362 0.030 1.548) 2.062 11.407 ( -1.097 -0.228 -1.216) 1.654 14.689 ( -0.787 0.174 -1.839) 2.008 14.747 ( 1.145 0.449 2.782) 3.042 33.641 ( -3.521 5.200 -6.897) 9.328 33.896 ( 4.937 2.724 10.536) 11.950 ======================= Grid point 106 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.885 -2.487 -1.246) 3.360 1.347 ( -7.786 1.492 -5.958) 9.917 1.570 ( -14.840 -1.934 -2.034) 15.103 1.601 ( -10.840 -2.532 -2.323) 11.371 1.850 ( 1.429 13.120 2.254) 13.388 2.133 ( -0.460 3.078 0.905) 3.241 2.237 ( 0.047 -3.042 -2.827) 4.153 2.438 ( 0.711 -3.436 -1.942) 4.010 2.519 ( 7.009 -5.588 -2.883) 9.416 2.577 ( 0.065 4.409 3.209) 5.454 2.709 ( 2.325 -1.762 -6.526) 7.149 2.819 ( 1.474 2.197 -8.303) 8.715 2.941 ( -5.404 2.289 3.479) 6.823 3.076 ( -2.598 -0.211 3.904) 4.694 3.200 ( -3.491 -2.041 9.082) 9.941 3.237 ( 0.465 -0.522 -6.157) 6.197 3.293 ( 0.140 3.311 3.100) 4.538 3.434 ( 5.945 2.907 2.497) 7.074 3.537 ( -0.003 0.121 3.733) 3.735 3.662 ( -0.646 -0.254 3.776) 3.839 3.710 ( 4.743 0.597 9.402) 10.547 3.843 ( 0.865 6.169 2.162) 6.593 4.051 ( 3.399 3.127 -2.026) 5.043 4.355 ( -2.483 -0.177 -0.817) 2.620 4.483 ( 7.461 -7.588 -3.707) 11.269 4.568 ( 1.177 -2.530 -0.121) 2.793 4.722 ( 0.144 0.678 -4.221) 4.277 5.209 ( -6.928 -8.080 -3.247) 11.128 11.195 ( -0.997 0.293 -0.923) 1.390 11.202 ( 0.176 -0.163 0.553) 0.603 11.389 ( -1.266 -0.409 -1.192) 1.787 11.398 ( 1.227 0.087 1.426) 1.883 14.669 ( -0.411 0.236 -1.866) 1.925 14.763 ( 0.017 0.537 3.337) 3.380 33.509 ( 0.328 3.856 -9.594) 10.345 33.960 ( 2.310 3.609 12.339) 13.062 ======================= Grid point 112 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -8.256 0.000 -6.664) 10.609 1.525 ( 6.010 -0.000 -0.540) 6.034 1.750 ( -5.656 0.000 -3.099) 6.449 1.795 ( -20.831 0.000 -15.164) 25.766 1.880 ( -1.034 0.000 7.130) 7.205 2.176 ( -17.927 0.000 -9.632) 20.351 2.258 ( 5.544 -0.000 2.742) 6.185 2.373 ( -0.685 0.000 -2.060) 2.171 2.567 ( 8.363 -0.000 2.504) 8.730 2.630 ( 0.060 -0.000 -9.937) 9.937 2.658 ( -3.041 0.000 10.095) 10.543 2.804 ( 6.442 -0.000 3.141) 7.167 2.865 ( -3.027 0.000 6.069) 6.782 3.086 ( 7.104 -0.000 11.470) 13.492 3.151 ( 2.906 -0.000 8.779) 9.248 3.201 ( -0.099 0.000 0.818) 0.824 3.364 ( -0.738 0.000 -8.329) 8.362 3.416 ( -1.743 0.000 1.865) 2.552 3.480 ( 3.401 -0.000 1.134) 3.585 3.637 ( 0.443 -0.000 8.204) 8.216 3.770 ( 0.809 -0.000 7.639) 7.682 3.916 ( 2.901 -0.000 0.284) 2.915 4.197 ( 0.085 -0.000 -4.111) 4.112 4.241 ( 1.936 -0.000 1.379) 2.377 4.416 ( -2.443 0.000 1.851) 3.065 4.461 ( 0.944 -0.000 -9.673) 9.719 4.822 ( -1.049 0.000 -6.676) 6.758 4.892 ( 2.084 -0.000 -3.410) 3.996 11.169 ( 0.546 -0.000 2.124) 2.193 11.247 ( -2.107 0.000 -2.189) 3.038 11.374 ( 1.509 -0.000 1.480) 2.113 11.404 ( -1.062 0.000 -1.311) 1.687 14.692 ( -0.714 0.000 -2.113) 2.231 14.755 ( 1.346 -0.000 3.049) 3.332 33.720 ( -5.728 0.000 -7.176) 9.181 33.939 ( 5.606 -0.000 11.815) 13.078 ======================= Grid point 113 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -13.219 4.925 -7.928) 16.181 1.413 ( -25.477 -5.499 -9.918) 27.887 1.566 ( -5.337 5.872 -7.204) 10.717 1.622 ( 1.282 3.382 2.077) 4.171 1.894 ( -18.890 -9.742 -11.956) 24.387 2.051 ( 7.605 -6.381 6.585) 11.913 2.266 ( 0.937 9.174 0.461) 9.234 2.390 ( 7.244 -1.241 0.199) 7.352 2.592 ( 4.085 4.235 -4.200) 7.229 2.630 ( 2.228 1.815 1.584) 3.282 2.728 ( 0.213 0.393 2.493) 2.532 2.850 ( -2.126 -0.830 7.116) 7.473 2.909 ( 4.731 -3.153 2.866) 6.367 3.108 ( -6.121 -1.241 -4.917) 7.948 3.187 ( -0.645 4.380 5.318) 6.920 3.268 ( -0.158 -1.817 5.514) 5.807 3.306 ( 4.837 4.133 -2.269) 6.754 3.439 ( 4.241 -2.396 1.776) 5.185 3.530 ( -0.049 0.285 0.233) 0.371 3.672 ( 0.967 1.225 9.098) 9.231 3.796 ( 1.558 3.431 6.686) 7.674 4.022 ( 3.110 -4.101 3.489) 6.218 4.121 ( 1.317 6.202 0.179) 6.342 4.244 ( -0.070 -2.485 -1.746) 3.038 4.410 ( 1.228 2.390 -5.872) 6.457 4.475 ( 2.730 -3.643 -0.279) 4.561 4.755 ( -1.631 0.959 -7.650) 7.880 4.953 ( -1.230 -8.073 -4.328) 9.242 11.189 ( 0.518 -0.300 2.151) 2.233 11.205 ( -2.270 0.091 -2.234) 3.186 11.383 ( -1.083 -0.045 -1.292) 1.686 11.401 ( 1.548 0.088 1.249) 1.992 14.674 ( -0.211 0.089 -2.328) 2.339 14.781 ( 0.230 0.478 3.952) 3.987 33.594 ( -4.280 1.693 -9.382) 10.450 34.059 ( 4.272 2.444 14.351) 15.171 ======================= Grid point 114 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -14.063 -6.186 -4.222) 15.933 1.076 ( -23.785 -7.240 -5.007) 25.362 1.407 ( -0.957 1.679 -9.064) 9.268 1.658 ( 8.067 4.101 2.812) 9.476 1.841 ( -12.748 -19.053 -12.356) 26.043 2.092 ( 2.526 11.669 3.174) 12.354 2.275 ( 4.482 0.774 6.752) 8.141 2.484 ( 4.894 2.429 -0.594) 5.496 2.579 ( 5.836 3.418 -0.799) 6.810 2.645 ( -1.748 -0.151 -10.042) 10.194 2.662 ( 2.270 2.017 3.101) 4.341 2.850 ( -0.343 1.652 1.225) 2.086 2.961 ( -3.023 8.440 -3.041) 9.467 3.034 ( -6.313 0.999 2.299) 6.792 3.083 ( -2.544 -5.658 -0.009) 6.204 3.293 ( -1.088 -0.001 6.544) 6.633 3.310 ( -0.522 2.914 -2.675) 3.990 3.528 ( 3.920 1.176 -1.623) 4.403 3.555 ( 4.441 -3.072 4.314) 6.912 3.715 ( 0.916 1.992 6.566) 6.922 3.808 ( 0.532 2.356 7.549) 7.926 4.033 ( 4.169 8.672 4.770) 10.740 4.106 ( 0.535 -0.538 1.141) 1.370 4.322 ( 0.504 -2.820 0.902) 3.003 4.432 ( 5.037 -6.493 -4.874) 9.554 4.546 ( 1.180 -2.183 -0.545) 2.540 4.686 ( -2.337 -0.251 -4.664) 5.223 5.013 ( -1.852 -7.391 -6.607) 10.085 11.163 ( -1.955 0.195 -2.006) 2.808 11.217 ( 0.935 -0.915 1.840) 2.258 11.364 ( -1.033 -0.056 -1.048) 1.472 11.423 ( 1.197 0.206 0.837) 1.475 14.660 ( 0.176 0.179 -2.111) 2.126 14.784 ( -1.286 0.915 4.046) 4.343 33.483 ( -1.456 0.918 -10.158) 10.303 34.110 ( 0.181 5.860 15.058) 16.159 ======================= Grid point 121 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -26.840 0.000 -8.862) 28.265 0.990 ( -15.553 0.000 -5.456) 16.482 1.383 ( -26.763 0.000 -14.415) 30.398 1.500 ( -2.088 0.000 -7.294) 7.586 1.765 ( 7.119 -0.000 -0.056) 7.120 2.189 ( 13.292 -0.000 8.941) 16.020 2.347 ( 0.092 -0.000 -0.215) 0.233 2.494 ( 8.054 -0.000 -0.395) 8.064 2.588 ( 0.682 -0.000 -8.704) 8.731 2.699 ( 0.433 -0.000 1.848) 1.898 2.800 ( 3.440 -0.000 3.489) 4.900 2.849 ( -4.349 0.000 9.891) 10.805 2.924 ( 0.952 -0.000 2.029) 2.241 2.995 ( 0.717 -0.000 -8.443) 8.474 3.222 ( -3.789 0.000 6.070) 7.156 3.264 ( -4.160 0.000 1.201) 4.330 3.385 ( -2.162 0.000 -2.702) 3.460 3.453 ( 6.165 -0.000 4.168) 7.441 3.585 ( 4.453 -0.000 0.073) 4.454 3.716 ( -0.331 0.000 6.636) 6.644 3.912 ( 2.884 -0.000 5.235) 5.977 3.974 ( -0.757 0.000 0.865) 1.149 4.198 ( -1.695 0.000 -0.147) 1.702 4.199 ( 3.279 -0.000 0.512) 3.319 4.462 ( 5.188 -0.000 -13.270) 14.248 4.477 ( 1.484 -0.000 9.135) 9.255 4.689 ( -3.616 0.000 -6.478) 7.418 4.858 ( -0.864 0.000 -4.708) 4.787 11.165 ( -2.070 0.000 -1.930) 2.831 11.200 ( 0.142 -0.000 1.900) 1.905 11.364 ( -0.905 0.000 -1.033) 1.373 11.427 ( 1.361 -0.000 0.592) 1.485 14.663 ( 0.244 -0.000 -2.318) 2.331 14.802 ( -1.050 0.000 4.574) 4.693 33.496 ( -3.777 0.000 -10.205) 10.881 34.217 ( 4.231 -0.000 16.556) 17.088 ======================= Grid point 122 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -20.959 -2.722 3.309) 21.392 0.673 ( -15.410 -3.910 -1.136) 15.939 1.169 ( -18.246 -21.216 -9.613) 29.589 1.491 ( 4.833 -0.884 -9.484) 10.681 1.833 ( 7.605 3.029 0.124) 8.187 2.293 ( 2.337 6.781 0.518) 7.190 2.402 ( 6.877 3.495 3.690) 8.551 2.542 ( 4.639 -1.822 -3.883) 6.318 2.573 ( 0.345 0.240 -3.801) 3.824 2.708 ( 3.207 1.258 0.412) 3.470 2.750 ( -0.735 5.939 0.018) 5.984 2.859 ( -1.325 -0.520 5.538) 5.718 2.947 ( -2.415 -1.648 -2.586) 3.903 2.991 ( -3.973 5.106 4.061) 7.639 3.098 ( -0.953 8.141 -3.854) 9.058 3.241 ( -5.276 -0.296 0.327) 5.295 3.328 ( -1.310 -3.267 2.886) 4.552 3.580 ( 5.404 -1.894 0.920) 5.800 3.612 ( 3.209 1.326 0.857) 3.576 3.760 ( -0.023 -1.189 4.235) 4.399 3.894 ( 0.181 3.999 3.848) 5.553 4.021 ( -2.902 -5.701 -2.365) 6.820 4.168 ( 2.419 3.114 -1.754) 4.315 4.320 ( 5.816 -4.172 3.596) 8.010 4.421 ( 1.097 1.230 -6.502) 6.707 4.534 ( -0.896 0.076 0.083) 0.903 4.632 ( -1.732 -1.664 2.841) 3.720 4.876 ( 0.830 -6.890 -6.094) 9.236 11.132 ( -1.523 0.037 -1.447) 2.101 11.218 ( 0.343 -1.186 1.318) 1.806 11.349 ( -0.651 0.068 -0.554) 0.858 11.441 ( 0.712 0.153 -0.118) 0.738 14.656 ( 0.492 0.073 -1.893) 1.957 14.794 ( -2.532 0.981 4.150) 4.959 33.411 ( -1.366 -0.550 -9.325) 9.440 34.295 ( 0.954 8.182 16.098) 18.083 ======================= Grid point 130 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -11.826 0.000 12.382) 17.123 0.516 ( -17.053 0.000 5.474) 17.910 0.626 ( -18.123 0.000 12.023) 21.748 1.578 ( 13.491 -0.000 -9.737) 16.638 1.944 ( 6.422 -0.000 -0.766) 6.468 2.289 ( -2.725 0.000 -8.575) 8.998 2.527 ( 3.232 -0.000 -6.045) 6.855 2.540 ( -4.690 0.000 0.056) 4.690 2.663 ( 11.493 -0.000 9.890) 15.163 2.722 ( 0.460 -0.000 0.834) 0.953 2.762 ( -1.813 0.000 -3.040) 3.540 2.869 ( -1.452 0.000 7.094) 7.241 2.884 ( -1.514 0.000 -6.928) 7.092 3.111 ( -3.489 0.000 -0.950) 3.616 3.133 ( -6.394 0.000 3.674) 7.374 3.170 ( 4.454 -0.000 1.447) 4.683 3.210 ( -5.408 0.000 -6.445) 8.413 3.621 ( 1.517 -0.000 3.411) 3.733 3.683 ( 2.611 -0.000 -2.117) 3.361 3.731 ( 0.798 -0.000 -2.046) 2.196 3.855 ( -4.676 0.000 -5.265) 7.042 3.979 ( -1.248 0.000 -10.126) 10.202 4.228 ( 5.786 -0.000 0.953) 5.864 4.390 ( -1.115 0.000 -1.874) 2.181 4.405 ( 7.031 -0.000 5.018) 8.638 4.550 ( -2.350 0.000 3.085) 3.878 4.593 ( 1.438 -0.000 4.953) 5.158 4.798 ( -2.880 0.000 4.690) 5.504 11.110 ( -0.839 0.000 -0.791) 1.153 11.211 ( -0.385 0.000 0.727) 0.822 11.342 ( -0.287 0.000 0.080) 0.298 11.444 ( -0.160 0.000 -0.672) 0.690 14.656 ( 0.668 -0.000 -1.346) 1.502 14.781 ( -3.483 0.000 3.042) 4.625 33.359 ( 1.006 -0.000 -6.805) 6.879 34.489 ( 4.140 -0.000 8.670) 9.608 ======================= Grid point 131 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 6.481 -0.000 23.257) 24.143 0.993 ( -7.697 0.000 21.194) 22.549 1.643 ( 8.351 -0.000 31.678) 32.760 1.688 ( 16.669 -0.000 -12.928) 21.095 1.860 ( -1.825 0.000 -12.195) 12.331 2.119 ( 2.597 -0.000 3.538) 4.389 2.358 ( -14.143 0.000 -7.468) 15.993 2.384 ( -7.007 0.000 -1.523) 7.171 2.525 ( 4.805 -0.000 -2.246) 5.304 2.562 ( 6.368 -0.000 1.541) 6.552 2.675 ( -0.341 0.000 1.058) 1.112 2.708 ( -5.542 0.000 -3.167) 6.383 2.754 ( -4.534 0.000 -3.301) 5.609 3.031 ( -3.097 0.000 -8.792) 9.322 3.091 ( -1.483 0.000 -11.516) 11.611 3.146 ( 4.306 -0.000 1.828) 4.678 3.402 ( 3.605 -0.000 2.378) 4.318 3.420 ( 2.014 -0.000 7.828) 8.083 3.507 ( -2.475 0.000 -2.141) 3.272 3.696 ( 1.470 -0.000 -4.650) 4.877 3.780 ( 4.251 -0.000 1.604) 4.543 3.808 ( -4.309 0.000 0.514) 4.340 4.111 ( -5.107 0.000 -0.065) 5.107 4.250 ( -4.771 0.000 -4.989) 6.903 4.614 ( -2.402 0.000 5.995) 6.458 4.711 ( 2.111 -0.000 1.998) 2.906 4.954 ( -13.590 0.000 11.185) 17.601 5.435 ( 28.143 -0.000 -10.353) 29.987 11.126 ( 1.396 -0.000 1.063) 1.755 11.175 ( -1.389 0.000 -1.174) 1.819 11.383 ( 0.360 -0.000 2.038) 2.069 11.469 ( 1.866 -0.000 -1.826) 2.610 14.682 ( 2.505 -0.000 0.317) 2.525 14.696 ( -2.437 0.000 -0.325) 2.459 33.508 ( 14.413 -0.000 3.659) 14.870 33.644 ( -35.115 0.000 -2.483) 35.203 ======================= Grid point 132 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -8.804 -1.361 15.555) 17.925 1.203 ( 8.269 -0.102 22.057) 23.556 1.691 ( -2.635 -0.728 -18.034) 18.240 1.795 ( 11.584 2.869 -13.821) 18.260 2.042 ( 5.029 -2.164 21.411) 22.100 2.101 ( -10.317 1.482 -5.182) 11.640 2.170 ( -2.232 -0.222 1.998) 3.004 2.310 ( -0.930 -6.399 8.631) 10.784 2.506 ( -1.185 3.443 -0.484) 3.673 2.597 ( -6.598 -1.020 -3.750) 7.658 2.684 ( 0.273 -0.304 2.716) 2.747 2.712 ( 5.013 1.638 1.257) 5.422 2.761 ( 2.340 -2.826 -1.002) 3.803 2.933 ( -0.696 -6.054 -21.515) 22.362 3.071 ( 0.997 -2.385 -2.507) 3.600 3.209 ( 5.557 2.194 1.239) 6.102 3.398 ( 0.931 5.231 5.900) 7.940 3.440 ( -0.086 4.730 -4.580) 6.585 3.534 ( 2.777 -2.251 3.717) 5.157 3.689 ( 1.583 0.327 -5.286) 5.528 3.755 ( -2.906 0.123 -1.097) 3.109 3.826 ( 3.447 2.065 3.193) 5.133 4.087 ( -1.523 -1.234 5.623) 5.955 4.218 ( -3.293 -5.277 -3.800) 7.289 4.582 ( -5.116 2.476 2.520) 6.217 4.680 ( -10.251 -2.124 6.463) 12.303 4.840 ( -1.369 3.777 1.744) 4.379 5.606 ( 8.370 2.593 -11.279) 14.283 11.157 ( 1.482 -0.384 1.048) 1.855 11.159 ( -0.936 -1.017 -1.391) 1.961 11.398 ( 0.453 0.131 1.896) 1.954 11.465 ( -0.005 0.844 -2.773) 2.898 14.675 ( -0.856 -0.097 -0.874) 1.228 14.725 ( 3.245 -0.026 0.988) 3.392 33.281 ( -17.976 -1.577 2.652) 18.239 33.740 ( 14.267 -0.216 8.162) 16.438 ======================= Grid point 133 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -1.421 -2.340 8.173) 8.619 1.427 ( 6.644 -2.374 17.172) 18.565 1.596 ( -4.011 -2.417 -13.673) 14.453 1.762 ( 1.524 4.032 -10.523) 11.372 1.867 ( -9.740 2.231 -6.226) 11.773 2.023 ( -2.936 5.194 2.790) 6.587 2.177 ( 1.171 1.049 -1.253) 2.011 2.407 ( -4.718 0.196 -3.159) 5.681 2.517 ( -2.391 -0.485 -1.565) 2.898 2.642 ( -4.941 2.352 0.912) 5.548 2.714 ( 5.700 -6.127 7.264) 11.082 2.757 ( -1.684 -3.441 -10.176) 10.874 2.775 ( 6.435 -8.204 14.369) 17.754 2.979 ( 2.893 -4.410 -7.830) 9.440 3.166 ( 4.433 -5.467 -1.278) 7.153 3.239 ( 2.087 2.236 2.388) 3.880 3.301 ( -1.822 8.374 -3.391) 9.216 3.378 ( 1.627 3.178 4.553) 5.786 3.558 ( -0.135 0.585 -2.195) 2.276 3.678 ( -1.579 0.932 1.163) 2.171 3.766 ( 4.771 -1.145 -0.891) 4.987 3.864 ( 3.727 1.739 4.346) 5.983 4.075 ( -5.628 3.266 7.004) 9.560 4.261 ( 0.437 -6.008 -3.535) 6.985 4.473 ( -5.746 -0.922 -0.643) 5.855 4.625 ( -5.702 -1.152 5.167) 7.781 4.818 ( 4.253 3.677 -1.777) 5.897 5.518 ( -3.933 5.312 -8.621) 10.864 11.147 ( -1.286 -1.032 -1.935) 2.542 11.198 ( 1.974 -0.545 1.558) 2.573 11.412 ( 0.646 0.103 1.629) 1.755 11.425 ( -1.433 1.110 -2.223) 2.868 14.658 ( -1.142 -0.026 -0.950) 1.485 14.774 ( 2.817 0.115 1.708) 3.297 33.203 ( -3.175 -4.276 -1.339) 5.492 33.953 ( 10.373 0.355 9.791) 14.269 ======================= Grid point 134 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 4.281 -1.965 -1.113) 4.840 1.371 ( -10.581 3.401 -8.991) 14.295 1.610 ( -10.282 2.627 -1.529) 10.722 1.687 ( 2.424 -3.192 10.732) 11.456 1.789 ( 7.028 0.488 -5.042) 8.664 1.943 ( 1.440 4.919 1.620) 5.376 2.187 ( 0.901 -2.238 -1.563) 2.874 2.363 ( -3.164 -3.391 -5.252) 7.007 2.471 ( -3.939 -1.631 -2.302) 4.845 2.570 ( -2.708 -1.367 -0.897) 3.163 2.701 ( 2.130 5.196 -6.871) 8.874 2.773 ( 0.739 -2.917 -5.465) 6.239 2.936 ( -0.919 3.355 -2.120) 4.073 3.081 ( -2.193 -3.119 -1.251) 4.013 3.111 ( -4.135 3.892 6.131) 8.357 3.234 ( 2.199 1.217 -1.711) 3.040 3.367 ( 6.024 -4.307 5.148) 9.019 3.405 ( -0.203 -2.095 3.062) 3.716 3.588 ( 1.750 -2.187 2.188) 3.555 3.643 ( -1.411 -1.026 4.904) 5.205 3.843 ( 1.875 -0.601 2.850) 3.464 3.925 ( 3.090 0.740 7.873) 8.490 3.983 ( -0.613 0.581 1.356) 1.597 4.347 ( 3.131 -4.451 -3.332) 6.381 4.447 ( -1.152 0.071 1.584) 1.960 4.615 ( -0.950 -0.775 1.836) 2.208 4.808 ( 3.446 3.852 -2.456) 5.722 5.294 ( -9.203 6.938 -8.448) 14.290 11.134 ( -1.114 -0.695 -1.688) 2.138 11.237 ( 1.684 -0.338 1.405) 2.219 11.382 ( -1.487 0.778 -1.465) 2.228 11.428 ( 0.674 0.041 1.305) 1.470 14.639 ( -0.961 -0.028 -0.909) 1.323 14.810 ( 1.286 0.111 2.126) 2.487 33.245 ( 1.589 -3.846 -4.296) 5.982 34.101 ( 5.040 0.036 8.946) 10.268 ======================= Grid point 135 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -8.007 4.285 -6.611) 11.233 1.253 ( 0.823 1.829 -5.133) 5.511 1.423 ( -1.011 7.353 3.303) 8.124 1.718 ( 1.609 4.139 0.305) 4.451 1.942 ( 5.411 -2.926 13.750) 15.064 1.962 ( 3.137 -1.962 -7.757) 8.594 2.216 ( -1.086 -3.016 -0.845) 3.315 2.349 ( -3.933 -4.434 -5.723) 8.239 2.483 ( -0.318 -5.125 -5.761) 7.717 2.557 ( 0.063 7.549 0.665) 7.578 2.595 ( 2.728 0.893 -5.486) 6.192 2.781 ( -0.171 -0.818 -2.528) 2.663 2.840 ( -3.734 0.398 -3.457) 5.104 2.952 ( -4.832 2.187 2.181) 5.734 3.169 ( -3.717 -4.366 4.188) 7.100 3.243 ( 1.627 -1.686 -4.327) 4.921 3.345 ( -1.440 5.295 1.731) 5.754 3.530 ( 4.952 -2.323 1.183) 5.596 3.605 ( -0.435 -2.535 1.603) 3.031 3.681 ( -1.374 -0.721 1.178) 1.949 3.903 ( 0.479 -3.431 1.908) 3.955 3.973 ( -0.928 0.513 7.491) 7.565 4.138 ( 6.960 -6.618 7.703) 12.312 4.423 ( 2.331 -1.728 -0.337) 2.922 4.453 ( 3.551 1.899 2.760) 4.882 4.614 ( -0.062 1.593 -0.053) 1.595 4.774 ( 1.460 3.903 -1.176) 4.330 5.022 ( -8.347 6.187 -9.971) 14.400 11.120 ( -0.821 -0.307 -1.169) 1.461 11.263 ( 1.139 0.231 0.840) 1.434 11.352 ( -0.918 0.273 -0.661) 1.164 11.441 ( 0.421 0.026 0.861) 0.959 14.627 ( -0.147 -0.097 -0.847) 0.865 14.825 ( -0.729 -0.252 2.184) 2.316 33.285 ( 2.171 -1.358 -5.419) 5.993 34.185 ( -0.509 -2.149 7.145) 7.479 ======================= Grid point 136 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.500 5.515 7.182) 9.069 1.175 ( -0.901 4.892 1.036) 5.081 1.372 ( 4.832 9.765 2.890) 11.272 1.702 ( 3.465 5.724 -4.440) 8.030 1.889 ( 2.478 9.984 1.369) 10.377 2.113 ( 2.895 -5.491 6.619) 9.074 2.210 ( -5.317 2.979 -7.576) 9.724 2.318 ( 0.777 -8.246 0.050) 8.283 2.517 ( 0.514 -6.597 -5.185) 8.406 2.576 ( 1.645 -4.770 -4.384) 6.684 2.604 ( 1.725 -0.509 -7.132) 7.356 2.786 ( -0.925 -1.695 -0.946) 2.150 2.818 ( -0.887 -2.623 0.390) 2.796 2.923 ( -2.054 -1.541 5.477) 6.049 3.159 ( -7.028 -1.780 6.899) 10.008 3.248 ( -0.435 6.547 2.206) 6.922 3.303 ( 1.701 -5.584 -6.481) 8.722 3.571 ( 0.797 0.685 -1.596) 1.911 3.653 ( 1.367 0.828 0.685) 1.739 3.736 ( 2.363 -5.115 0.545) 5.661 3.963 ( -3.798 -1.937 4.362) 6.099 3.970 ( 2.473 -2.693 0.876) 3.760 4.197 ( -3.166 6.022 -5.252) 8.595 4.383 ( -6.340 2.414 -0.721) 6.822 4.552 ( 8.406 4.060 -0.032) 9.336 4.569 ( 0.775 1.778 5.756) 6.074 4.794 ( 0.904 -4.541 8.918) 10.049 4.863 ( 2.893 3.989 -9.230) 10.462 11.110 ( -0.414 0.022 -0.521) 0.666 11.268 ( 0.509 0.972 -0.046) 1.098 11.343 ( -0.235 -0.149 0.223) 0.356 11.446 ( 0.026 0.060 0.386) 0.392 14.629 ( 0.647 -0.104 -0.634) 0.911 14.820 ( -2.727 -0.777 1.859) 3.391 33.287 ( 2.711 1.406 -5.508) 6.298 34.227 ( -6.301 -6.038 4.425) 9.785 ======================= Grid point 137 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 3.151 5.081 19.462) 20.359 1.057 ( -5.022 14.050 12.448) 19.432 1.349 ( 7.800 0.247 -8.447) 11.500 1.536 ( 5.545 20.569 15.344) 26.254 1.926 ( 7.686 0.829 1.441) 7.863 2.065 ( -4.734 0.276 -9.096) 10.258 2.266 ( 3.456 -7.065 -0.556) 7.885 2.465 ( 3.912 -6.715 -2.556) 8.181 2.532 ( -9.073 -10.321 -12.637) 18.669 2.595 ( -1.109 -2.293 -3.716) 4.506 2.678 ( 4.377 -3.811 -2.222) 6.214 2.757 ( -4.172 -0.474 -3.703) 5.599 2.875 ( 4.138 0.197 4.386) 6.033 2.978 ( -1.477 -3.713 6.231) 7.402 3.129 ( -4.740 -0.452 5.867) 7.556 3.200 ( 1.317 1.974 4.276) 4.891 3.326 ( -3.770 -1.283 -5.307) 6.635 3.542 ( -1.367 0.026 -1.597) 2.102 3.657 ( 1.609 0.349 -2.681) 3.146 3.764 ( -3.515 -0.543 -4.729) 5.917 3.887 ( -5.793 10.916 -7.321) 14.363 3.938 ( -5.437 3.143 -0.433) 6.295 4.161 ( 6.531 -6.124 2.689) 9.348 4.300 ( -1.093 -4.159 -0.236) 4.306 4.514 ( -0.553 3.326 -2.607) 4.262 4.620 ( 1.931 3.299 5.919) 7.046 4.874 ( 16.844 7.346 -5.207) 19.100 4.953 ( -1.797 -6.630 14.049) 15.638 11.105 ( 0.115 0.221 0.118) 0.276 11.249 ( -0.212 1.598 -0.963) 1.878 11.350 ( 0.246 -0.327 1.112) 1.185 11.445 ( -0.049 0.065 0.119) 0.144 14.639 ( 1.100 -0.005 -0.320) 1.146 14.793 ( -4.299 -0.966 1.072) 4.534 33.283 ( 5.507 2.487 -4.366) 7.455 34.221 ( -13.813 -9.815 -1.034) 16.976 ======================= Grid point 138 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -2.652 7.981 19.285) 21.040 0.959 ( -0.444 4.244 24.200) 24.574 1.459 ( 9.266 6.948 19.262) 22.476 1.528 ( 12.879 4.153 1.092) 13.576 1.940 ( -0.792 0.572 -10.566) 10.611 2.052 ( 5.004 -0.693 0.751) 5.107 2.396 ( 1.354 -6.458 -1.730) 6.822 2.471 ( -5.176 -4.744 -10.395) 12.544 2.547 ( -3.719 -2.130 -1.999) 4.729 2.557 ( -5.059 -2.871 -6.515) 8.734 2.687 ( -1.728 0.694 -0.941) 2.086 2.738 ( 0.548 -0.785 -1.280) 1.599 2.894 ( -2.939 3.473 -1.780) 4.886 3.035 ( -1.278 -3.613 2.793) 4.742 3.107 ( -0.439 0.628 2.245) 2.372 3.191 ( -3.019 2.614 -1.433) 4.243 3.288 ( 1.242 -3.770 3.325) 5.178 3.508 ( -2.296 7.360 -7.933) 11.062 3.544 ( -4.260 -0.507 -4.213) 6.013 3.690 ( 2.234 0.253 -1.743) 2.845 3.748 ( 0.132 1.481 -2.364) 2.793 3.869 ( -4.420 0.806 1.496) 4.736 4.169 ( -5.507 -2.428 -1.494) 6.201 4.384 ( -3.506 4.045 -6.483) 8.407 4.570 ( 9.153 -7.314 4.406) 12.518 4.616 ( -1.531 1.095 6.562) 6.827 5.016 ( -5.440 -2.773 14.339) 15.585 5.079 ( 27.456 5.299 -4.061) 28.256 11.109 ( 0.746 0.221 0.649) 1.013 11.210 ( -1.099 1.490 -1.238) 2.228 11.367 ( 0.395 -0.233 1.797) 1.855 11.450 ( 0.984 -0.101 -0.229) 1.015 14.655 ( 1.580 0.069 -0.047) 1.582 14.744 ( -4.612 -0.410 0.160) 4.633 33.343 ( 10.424 1.476 -1.282) 10.606 34.067 ( -26.917 -7.751 -7.979) 29.125 ======================= Grid point 140 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.918 0.000 10.620) 10.660 1.440 ( 8.563 -0.000 17.389) 19.383 1.568 ( -0.640 0.000 -18.288) 18.299 1.826 ( -4.145 0.000 -11.336) 12.070 1.890 ( -3.843 0.000 -16.940) 17.371 2.173 ( -3.386 0.000 9.302) 9.899 2.200 ( -2.762 0.000 4.015) 4.873 2.371 ( 15.401 -0.000 27.705) 31.698 2.416 ( -12.743 0.000 -9.919) 16.149 2.544 ( -1.509 0.000 1.099) 1.867 2.658 ( -2.443 0.000 -5.908) 6.394 2.712 ( 1.428 -0.000 2.934) 3.263 2.823 ( 5.698 -0.000 -14.172) 15.274 2.883 ( 6.200 -0.000 3.808) 7.276 3.012 ( -2.329 0.000 -1.969) 3.049 3.278 ( 1.007 -0.000 1.834) 2.092 3.501 ( 5.399 -0.000 -6.805) 8.686 3.502 ( -0.229 0.000 2.746) 2.756 3.545 ( 1.205 -0.000 1.775) 2.145 3.696 ( -0.750 0.000 0.345) 0.825 3.703 ( 2.469 -0.000 -7.002) 7.425 3.898 ( -0.078 0.000 6.112) 6.113 4.101 ( 1.190 -0.000 6.864) 6.966 4.140 ( -2.101 0.000 1.694) 2.699 4.468 ( -13.646 0.000 0.603) 13.660 4.599 ( -0.515 0.000 1.119) 1.232 4.867 ( 1.226 -0.000 -2.769) 3.028 5.600 ( -4.103 0.000 -7.427) 8.485 11.129 ( -0.899 0.000 -1.346) 1.619 11.189 ( 2.168 -0.000 1.281) 2.518 11.414 ( 0.540 -0.000 1.583) 1.673 11.444 ( -1.607 0.000 -2.827) 3.252 14.658 ( -1.095 0.000 -0.922) 1.431 14.777 ( 3.082 -0.000 1.906) 3.624 33.139 ( -2.719 0.000 -0.670) 2.801 33.966 ( 10.903 -0.000 11.989) 16.205 ======================= Grid point 141 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 9.774 0.265 3.679) 10.447 1.451 ( -3.867 3.333 -12.299) 13.316 1.571 ( 0.129 -3.108 0.027) 3.111 1.706 ( -0.826 0.620 0.932) 1.391 1.811 ( 4.468 1.938 -18.186) 18.827 2.125 ( -2.265 3.503 7.240) 8.356 2.176 ( -9.206 1.274 -8.866) 12.844 2.243 ( -0.855 -2.520 5.281) 5.913 2.483 ( -3.796 2.288 -0.701) 4.487 2.640 ( -0.165 3.346 -2.645) 4.268 2.661 ( -2.427 1.699 -1.252) 3.216 2.785 ( 8.344 -10.348 18.381) 22.684 2.833 ( 5.649 1.012 -4.578) 7.341 2.982 ( 4.708 -0.596 1.488) 4.974 3.077 ( 1.480 -9.873 1.725) 10.131 3.271 ( -1.243 0.454 -0.632) 1.467 3.406 ( -1.017 8.449 -0.330) 8.517 3.467 ( -0.923 5.909 -1.281) 6.116 3.554 ( -0.087 -1.709 -0.098) 1.714 3.701 ( -1.033 1.811 2.087) 2.950 3.765 ( 5.930 -3.016 -4.409) 7.981 3.904 ( -5.614 -1.724 8.241) 10.120 4.103 ( -2.079 5.290 5.330) 7.792 4.174 ( 0.716 -5.619 0.197) 5.668 4.389 ( -0.328 -3.630 -0.692) 3.710 4.603 ( 0.911 0.203 -1.096) 1.440 4.858 ( 0.825 0.221 -4.504) 4.584 5.447 ( -9.922 3.190 -5.396) 11.736 11.117 ( -0.550 -0.380 -1.129) 1.312 11.226 ( 2.117 -0.293 1.042) 2.377 11.402 ( -2.005 0.497 -1.967) 2.852 11.429 ( 0.602 0.010 1.227) 1.366 14.637 ( -1.176 -0.037 -0.792) 1.419 14.819 ( 1.598 0.300 2.475) 2.961 33.164 ( 4.890 -1.592 -3.929) 6.472 34.130 ( 5.331 1.140 12.005) 13.185 ======================= Grid point 142 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 7.564 6.585 -6.421) 11.908 1.315 ( 3.678 1.675 -6.622) 7.758 1.530 ( -4.017 1.576 -2.985) 5.247 1.754 ( -1.591 0.916 6.142) 6.411 1.808 ( 10.796 -4.025 -14.643) 18.632 2.092 ( -2.143 -7.658 -4.093) 8.944 2.121 ( 2.625 4.319 6.274) 8.057 2.305 ( 3.092 1.830 4.227) 5.548 2.378 ( -6.742 2.350 -1.512) 7.298 2.482 ( -4.769 1.590 -1.660) 5.294 2.688 ( 1.016 -2.020 -3.117) 3.850 2.853 ( 4.993 4.085 -4.059) 7.622 2.925 ( -2.314 1.456 -3.194) 4.204 3.054 ( 1.112 -1.503 8.685) 8.884 3.187 ( -2.899 4.531 1.080) 5.486 3.224 ( -1.991 1.103 -5.061) 5.549 3.370 ( 3.240 -5.119 6.119) 8.610 3.447 ( 3.432 1.277 1.283) 3.880 3.586 ( -0.577 -3.522 3.536) 5.024 3.640 ( -2.665 3.955 5.583) 7.343 3.831 ( -3.659 -3.002 3.035) 5.623 3.930 ( 2.359 -5.094 2.399) 6.105 4.024 ( -1.602 4.133 4.625) 6.406 4.288 ( 1.809 -6.793 -0.194) 7.032 4.484 ( 6.407 -1.821 0.462) 6.677 4.604 ( 0.022 -0.453 -1.553) 1.618 4.839 ( 0.433 -0.043 -5.750) 5.767 5.204 ( -11.787 5.872 -6.161) 14.538 11.112 ( -0.232 -0.263 -0.723) 0.804 11.261 ( 1.715 -0.282 0.571) 1.830 11.364 ( -1.491 0.440 -1.013) 1.855 11.441 ( 0.433 -0.000 0.826) 0.933 14.623 ( -0.455 -0.154 -0.735) 0.878 14.833 ( -0.438 0.555 2.419) 2.520 33.245 ( 6.706 -1.242 -4.547) 8.197 34.195 ( -0.477 1.939 9.498) 9.705 ======================= Grid point 143 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 6.296 9.553 -0.212) 11.443 1.287 ( 2.022 5.214 -5.207) 7.641 1.577 ( 12.814 1.422 -0.860) 12.922 1.725 ( -2.061 -2.841 -3.395) 4.883 1.971 ( 8.190 -0.826 -6.114) 10.254 2.125 ( 2.431 5.964 9.800) 11.727 2.161 ( -2.282 0.006 -1.887) 2.961 2.222 ( 0.860 -5.215 -2.829) 5.995 2.398 ( 0.682 -3.393 0.008) 3.461 2.486 ( -1.290 -7.513 -1.730) 7.817 2.682 ( 2.256 4.008 -5.881) 7.466 2.782 ( -1.496 11.594 1.492) 11.785 2.815 ( -2.610 -0.836 -4.884) 5.601 3.036 ( -2.354 7.551 7.445) 10.862 3.109 ( -2.998 -0.628 7.758) 8.341 3.205 ( 0.866 -1.310 -7.499) 7.662 3.408 ( -0.691 3.796 0.285) 3.869 3.538 ( 2.179 -5.845 2.199) 6.614 3.580 ( -0.840 -0.103 4.484) 4.563 3.655 ( -0.132 -1.433 -0.518) 1.529 3.828 ( -3.778 -4.094 1.604) 5.797 3.977 ( -3.945 0.852 5.797) 7.063 4.125 ( 2.448 -7.897 4.710) 9.515 4.406 ( 0.977 -5.505 3.776) 6.747 4.535 ( -0.181 1.437 0.566) 1.555 4.641 ( 5.437 -0.459 -1.856) 5.763 4.812 ( 0.288 1.702 -5.346) 5.618 4.945 ( -6.288 4.030 -8.020) 10.959 11.110 ( 0.101 0.029 -0.139) 0.175 11.282 ( 1.108 0.088 -0.237) 1.136 11.342 ( -0.676 0.108 -0.077) 0.689 11.447 ( 0.072 0.020 0.364) 0.372 14.623 ( 0.542 -0.245 -0.579) 0.830 14.818 ( -2.215 0.504 1.945) 2.991 33.318 ( 6.748 0.713 -4.030) 7.891 34.165 ( -6.437 1.284 6.625) 9.326 ======================= Grid point 144 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 5.701 8.447 12.283) 15.960 1.269 ( 8.111 2.774 -3.594) 9.296 1.576 ( -0.643 12.338 1.999) 12.516 1.821 ( 11.602 -2.531 -7.394) 13.989 1.934 ( 1.067 0.419 -3.093) 3.299 2.159 ( -0.223 -3.090 -4.836) 5.743 2.233 ( 4.775 1.968 4.048) 6.562 2.255 ( 1.539 0.581 1.451) 2.193 2.437 ( 2.420 1.570 -1.192) 3.122 2.558 ( -3.704 -3.022 -1.862) 5.131 2.616 ( -2.700 0.669 0.706) 2.870 2.632 ( 4.786 2.719 -2.843) 6.195 2.819 ( -0.871 -3.767 0.236) 3.873 2.999 ( 0.960 3.331 9.247) 9.876 3.082 ( -6.426 0.101 7.426) 9.821 3.225 ( 2.198 -3.284 -6.665) 7.748 3.335 ( -0.995 4.286 0.876) 4.487 3.530 ( -5.458 -1.133 0.950) 5.654 3.648 ( -2.292 -1.174 0.141) 2.578 3.691 ( 1.473 -3.341 -1.676) 4.018 3.901 ( -0.052 -4.617 4.425) 6.395 3.968 ( 1.566 -3.856 2.547) 4.880 4.155 ( -5.030 0.641 -5.362) 7.379 4.307 ( -10.743 4.902 -4.866) 12.771 4.612 ( -0.271 1.736 -0.517) 1.832 4.679 ( 2.411 -2.541 10.564) 11.130 4.740 ( -2.586 -2.297 -0.714) 3.531 4.976 ( 14.741 -0.779 -8.104) 16.840 11.113 ( 0.484 0.315 0.500) 0.764 11.283 ( 0.404 0.703 -1.366) 1.588 11.341 ( 0.064 -0.250 0.813) 0.853 11.447 ( -0.196 0.013 -0.036) 0.200 14.637 ( 1.295 -0.156 -0.278) 1.334 14.783 ( -3.278 0.283 1.256) 3.522 33.366 ( 7.477 2.983 -3.151) 8.645 34.058 ( -13.195 -0.883 4.228) 13.884 ======================= Grid point 145 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.390 5.432 18.196) 19.040 1.283 ( -2.043 16.425 9.373) 19.022 1.430 ( 10.668 -0.805 -9.399) 14.240 1.915 ( 8.995 6.890 1.003) 11.375 1.969 ( 2.222 0.181 -8.492) 8.780 2.089 ( -2.143 2.623 -2.043) 3.955 2.249 ( 4.973 -1.878 -1.063) 5.420 2.311 ( 2.341 3.853 9.767) 10.757 2.460 ( 0.325 -2.820 -6.323) 6.931 2.510 ( -2.065 -0.345 3.187) 3.813 2.640 ( 0.145 -3.966 2.673) 4.785 2.726 ( 5.758 -1.470 -4.203) 7.279 2.874 ( -0.396 -5.004 2.300) 5.522 2.987 ( -6.210 1.573 3.270) 7.192 3.060 ( -2.389 -1.772 4.636) 5.508 3.236 ( -1.400 -0.462 -0.013) 1.474 3.307 ( 2.895 2.078 0.527) 3.602 3.468 ( -5.133 -1.446 -1.138) 5.453 3.624 ( -2.572 -0.591 -3.918) 4.724 3.704 ( -2.014 -1.196 -1.955) 3.051 3.865 ( -5.450 2.518 -3.180) 6.794 3.921 ( -5.736 6.983 -8.113) 12.145 4.124 ( -4.464 -1.658 -0.114) 4.763 4.263 ( 8.252 -9.945 4.162) 13.577 4.536 ( -1.228 3.753 -4.060) 5.664 4.671 ( -1.851 1.844 1.538) 3.032 4.856 ( -7.412 -7.700 16.247) 19.447 5.186 ( 22.210 0.309 -10.637) 24.628 11.120 ( 0.927 0.507 1.040) 1.483 11.258 ( -0.461 1.389 -2.447) 2.851 11.356 ( 0.465 -0.421 1.555) 1.677 11.445 ( 0.111 -0.224 -0.390) 0.463 14.658 ( 1.798 0.079 0.030) 1.800 14.739 ( -3.285 0.190 0.451) 3.321 33.420 ( 10.088 3.674 -1.261) 10.810 33.875 ( -21.048 -2.797 2.201) 21.347 ======================= Grid point 146 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -8.369 5.071 17.458) 20.014 1.107 ( 0.455 9.654 17.868) 20.314 1.616 ( 14.624 -4.420 -10.229) 18.386 1.837 ( -1.836 4.613 -11.206) 12.257 1.949 ( 7.237 7.653 9.631) 14.272 2.101 ( 0.822 -0.842 2.944) 3.170 2.305 ( -0.925 0.150 0.518) 1.070 2.325 ( -7.527 -1.831 0.546) 7.765 2.449 ( 3.189 -2.095 1.230) 4.008 2.577 ( 5.923 -0.077 3.706) 6.987 2.690 ( -0.269 0.480 1.641) 1.731 2.747 ( -0.832 1.010 -0.575) 1.429 2.811 ( -9.437 2.190 -5.211) 11.000 2.989 ( 4.185 -4.216 0.059) 5.941 3.105 ( 1.903 -2.807 1.516) 3.715 3.199 ( -2.064 5.832 -9.955) 11.721 3.317 ( 2.014 0.186 2.937) 3.566 3.431 ( -4.268 -3.996 -3.295) 6.711 3.529 ( -0.924 2.549 -2.007) 3.373 3.692 ( 0.543 -0.703 -1.861) 2.063 3.766 ( 0.088 1.317 -2.865) 3.155 3.810 ( -4.037 -0.612 -1.041) 4.214 4.095 ( -3.201 -0.697 4.108) 5.255 4.370 ( -2.582 4.095 -7.402) 8.845 4.571 ( 1.485 -5.209 4.910) 7.311 4.653 ( 3.009 -0.707 2.496) 3.973 4.871 ( -14.203 -4.565 13.799) 20.322 5.431 ( 20.707 -1.416 -12.192) 24.071 11.134 ( 1.411 0.537 1.348) 2.024 11.210 ( -1.306 1.756 -2.534) 3.348 11.378 ( 0.504 -0.343 1.953) 2.046 11.455 ( 0.783 -0.803 -1.359) 1.762 14.685 ( 2.477 0.178 0.347) 2.508 14.699 ( -2.047 0.243 -0.321) 2.086 33.538 ( 13.435 2.154 2.703) 13.873 33.591 ( -26.294 -1.139 1.747) 26.377 ======================= Grid point 149 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 18.268 -0.000 -0.792) 18.285 1.410 ( -5.093 0.000 -6.280) 8.086 1.462 ( 4.375 -0.000 -12.658) 13.393 1.725 ( 2.951 -0.000 -11.785) 12.149 1.805 ( 0.283 -0.000 -13.164) 13.168 1.970 ( -3.794 0.000 2.327) 4.451 2.164 ( -2.401 0.000 5.229) 5.754 2.317 ( 1.809 -0.000 6.264) 6.520 2.452 ( -4.388 0.000 0.276) 4.397 2.610 ( -1.957 0.000 -0.569) 2.038 2.755 ( -0.088 0.000 2.194) 2.196 2.797 ( 0.557 -0.000 -0.629) 0.841 2.914 ( 6.224 -0.000 9.503) 11.360 3.055 ( 8.217 -0.000 -4.876) 9.555 3.079 ( 3.533 -0.000 11.956) 12.467 3.230 ( -3.403 0.000 -0.528) 3.443 3.448 ( -5.734 0.000 1.640) 5.964 3.477 ( -2.930 0.000 -1.906) 3.495 3.529 ( 1.597 -0.000 3.518) 3.864 3.663 ( 1.497 -0.000 -8.917) 9.042 3.804 ( -10.715 0.000 9.594) 14.382 3.875 ( 6.900 -0.000 3.651) 7.806 4.136 ( 2.220 -0.000 -2.154) 3.093 4.176 ( -1.555 0.000 5.809) 6.014 4.373 ( 4.081 -0.000 0.066) 4.082 4.612 ( 1.146 -0.000 -4.169) 4.324 4.826 ( -1.079 0.000 -5.911) 6.008 5.296 ( -12.074 0.000 -4.481) 12.879 11.108 ( 0.064 -0.000 -0.462) 0.467 11.255 ( 1.920 -0.000 0.428) 1.967 11.371 ( -1.786 0.000 -1.199) 2.151 11.441 ( 0.442 -0.000 0.779) 0.896 14.621 ( -0.574 0.000 -0.733) 0.931 14.843 ( -0.363 0.000 2.639) 2.664 33.226 ( 8.507 -0.000 -4.346) 9.553 34.233 ( -0.263 0.000 10.942) 10.946 ======================= Grid point 150 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 5.711 6.061 -4.782) 9.603 1.431 ( 5.870 2.552 -6.049) 8.807 1.551 ( 15.305 -0.596 -7.384) 17.004 1.647 ( -8.035 -3.038 -2.951) 9.083 1.832 ( 12.729 -4.650 -14.259) 19.671 2.051 ( 4.719 -1.904 7.866) 9.369 2.172 ( 0.168 -1.880 0.731) 2.024 2.338 ( -0.561 0.959 2.410) 2.653 2.377 ( -1.986 3.890 -0.704) 4.424 2.495 ( -6.036 5.407 -2.359) 8.440 2.731 ( 2.038 2.422 4.723) 5.685 2.859 ( 1.385 0.021 2.234) 2.629 2.979 ( -0.210 1.123 0.322) 1.188 3.121 ( 1.866 3.161 3.432) 5.025 3.153 ( 2.481 -0.621 -1.072) 2.773 3.210 ( -4.010 1.201 3.207) 5.274 3.358 ( -2.413 -2.730 4.550) 5.829 3.439 ( -5.905 -2.349 -0.940) 6.424 3.577 ( 4.969 0.214 -0.867) 5.049 3.712 ( -6.770 2.148 8.408) 11.006 3.741 ( 3.420 -5.100 3.475) 7.055 3.940 ( 3.161 0.364 2.225) 3.883 4.095 ( -3.519 7.894 4.486) 9.738 4.209 ( 1.429 -6.455 -0.746) 6.654 4.521 ( 7.297 -7.613 0.354) 10.552 4.577 ( -1.801 0.843 -4.945) 5.330 4.780 ( -2.042 -1.134 -7.010) 7.389 5.087 ( -11.073 3.400 -5.494) 12.820 11.111 ( 0.491 0.019 0.188) 0.526 11.279 ( 1.380 -0.155 -0.273) 1.415 11.347 ( -1.057 0.129 -0.299) 1.106 11.448 ( 0.100 -0.005 0.283) 0.300 14.617 ( 0.494 -0.138 -0.636) 0.817 14.835 ( -2.108 0.450 2.111) 3.017 33.330 ( 9.480 0.179 -2.937) 9.926 34.231 ( -5.222 1.959 7.892) 9.664 ======================= Grid point 151 (75/114) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 2.350 6.284 3.167) 7.418 1.424 ( 7.552 7.102 -2.851) 10.752 1.592 ( 0.208 -6.323 -6.015) 8.730 1.779 ( 16.691 -0.155 -5.088) 17.450 2.044 ( 10.584 -5.616 -4.386) 12.759 2.138 ( -2.025 1.263 -0.341) 2.410 2.180 ( -0.449 5.100 2.369) 5.641 2.284 ( 8.524 0.562 1.350) 8.649 2.376 ( -0.601 -5.196 -1.338) 5.399 2.401 ( 0.001 2.326 -0.639) 2.412 2.708 ( -6.623 -0.085 -4.197) 7.841 2.821 ( 3.449 8.592 3.934) 10.059 2.939 ( 0.208 4.671 3.548) 5.870 3.067 ( -4.568 3.328 6.055) 8.282 3.135 ( -5.049 0.349 4.908) 7.050 3.191 ( 3.767 0.974 -1.516) 4.176 3.378 ( -5.667 -1.440 -0.110) 5.848 3.482 ( 2.360 -5.129 1.600) 5.869 3.629 ( -1.804 -0.653 1.522) 2.449 3.665 ( 3.925 2.376 4.820) 6.655 3.765 ( -1.268 2.197 0.531) 2.592 3.958 ( -6.261 1.894 3.151) 7.261 4.059 ( 0.454 -4.885 3.284) 5.904 4.319 ( -2.735 -7.003 2.139) 7.817 4.486 ( -5.498 -0.725 -0.782) 5.600 4.693 ( 2.193 0.480 -5.209) 5.672 4.775 ( 3.031 -5.302 -5.646) 8.317 4.898 ( -1.511 1.145 -5.665) 5.974 11.121 ( 0.799 0.234 0.846) 1.187 11.291 ( 0.611 -0.028 -1.157) 1.308 11.338 ( -0.222 -0.021 0.569) 0.611 11.446 ( -0.302 -0.022 -0.216) 0.372 14.631 ( 1.536 -0.208 -0.338) 1.587 14.800 ( -3.024 0.686 1.235) 3.338 33.435 ( 9.669 1.751 -1.211) 9.901 34.121 ( -9.792 3.671 4.765) 11.492 ======================= Grid point 152 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -2.353 4.905 8.056) 9.721 1.398 ( 5.263 2.371 -5.134) 7.725 1.702 ( 3.630 2.967 1.512) 4.926 1.866 ( 5.093 2.383 -2.775) 6.271 2.060 ( 5.578 6.100 -1.896) 8.481 2.113 ( 3.805 -0.916 -5.508) 6.757 2.295 ( 8.860 -2.394 -0.411) 9.187 2.328 ( -3.110 2.407 -0.516) 3.966 2.441 ( 4.790 -2.710 2.809) 6.179 2.456 ( -1.974 -2.828 -3.260) 4.746 2.605 ( 4.464 -2.842 -3.254) 6.212 2.793 ( -0.359 3.170 3.509) 4.743 2.894 ( 4.000 9.616 9.217) 13.908 3.011 ( -2.945 2.636 4.950) 6.335 3.063 ( -10.846 -1.366 3.367) 11.438 3.207 ( 2.952 1.574 -0.155) 3.350 3.342 ( -0.408 0.488 0.756) 0.988 3.496 ( -1.276 3.013 1.771) 3.720 3.600 ( -4.497 -0.449 2.801) 5.317 3.664 ( -1.146 1.313 -0.552) 1.828 3.862 ( 0.610 -5.959 4.761) 7.652 3.936 ( 1.573 -4.795 2.076) 5.457 4.055 ( -4.604 -1.135 -4.602) 6.608 4.191 ( -9.679 3.652 -8.024) 13.092 4.561 ( -3.145 -6.707 3.662) 8.263 4.644 ( -2.305 -0.969 -1.805) 3.084 4.735 ( -1.219 1.733 1.127) 2.400 5.077 ( 13.719 -7.736 -7.650) 17.509 11.134 ( 1.070 0.451 1.436) 1.847 11.282 ( -0.320 0.377 -2.186) 2.241 11.346 ( 0.454 -0.252 1.306) 1.406 11.439 ( -0.521 -0.165 -0.627) 0.832 14.658 ( 2.230 -0.042 0.081) 2.232 14.753 ( -2.951 0.657 0.324) 3.040 33.528 ( 10.293 3.523 0.304) 10.883 33.920 ( -13.882 4.668 2.610) 14.877 ======================= Grid point 153 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -7.486 4.298 10.446) 13.551 1.475 ( 6.891 -4.182 -7.255) 10.845 1.550 ( -0.433 16.181 8.220) 18.155 1.970 ( 2.093 0.515 -9.078) 9.330 1.995 ( 3.562 0.911 -3.025) 4.762 2.088 ( -0.505 5.174 -3.851) 6.469 2.257 ( -10.478 -2.208 -1.501) 10.813 2.333 ( 4.325 0.076 -3.666) 5.670 2.497 ( 7.293 -2.692 5.681) 9.628 2.605 ( 4.153 -5.589 1.852) 7.205 2.731 ( 1.405 6.282 7.811) 10.122 2.804 ( -5.706 3.202 1.719) 6.765 2.834 ( 4.873 -1.845 5.103) 7.294 2.915 ( 2.161 7.407 3.249) 8.372 3.015 ( 0.764 -3.008 -0.667) 3.174 3.258 ( 2.954 -0.415 4.050) 5.031 3.337 ( -1.080 -0.305 -2.031) 2.320 3.425 ( -3.233 3.633 -1.982) 5.252 3.564 ( -3.528 -0.382 4.557) 5.776 3.641 ( -2.744 -1.220 -0.642) 3.071 3.820 ( -3.343 3.194 -5.994) 7.570 3.902 ( -3.117 5.360 -8.406) 10.445 4.012 ( -7.044 -5.288 5.767) 10.528 4.250 ( 8.808 -9.594 -0.774) 13.047 4.535 ( -1.265 0.488 -3.420) 3.679 4.627 ( -3.697 -2.077 -3.208) 5.318 4.757 ( -6.454 -2.555 14.465) 16.044 5.315 ( 12.369 -6.991 -10.582) 17.715 11.151 ( 1.354 0.592 1.823) 2.347 11.249 ( -1.227 0.936 -2.920) 3.303 11.367 ( 0.742 -0.353 1.778) 1.959 11.434 ( -0.466 -0.604 -1.068) 1.312 14.691 ( 2.636 0.238 0.475) 2.689 14.710 ( -2.100 0.466 -0.443) 2.196 33.622 ( 7.791 3.704 2.582) 9.005 33.660 ( -11.970 5.460 1.270) 13.217 ======================= Grid point 154 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -7.545 3.841 10.475) 13.469 1.382 ( 2.536 12.711 14.164) 19.200 1.638 ( 7.048 -7.167 -6.027) 11.720 1.790 ( -2.930 6.612 -14.780) 16.455 2.021 ( -10.461 -1.631 -0.824) 10.619 2.035 ( -3.464 -2.275 -2.808) 5.006 2.149 ( -0.021 -1.059 -2.704) 2.904 2.405 ( 3.603 -0.923 -1.451) 3.993 2.599 ( -9.833 0.150 -1.317) 9.922 2.644 ( 4.836 -2.644 3.731) 6.655 2.685 ( -3.084 1.115 2.620) 4.197 2.740 ( 1.280 4.640 10.557) 11.602 2.810 ( 6.991 7.764 8.515) 13.478 3.097 ( 9.858 -1.242 0.044) 9.936 3.112 ( 11.060 -1.752 -2.510) 11.475 3.182 ( -6.482 8.059 -12.078) 15.901 3.286 ( -5.193 -2.304 -3.748) 6.806 3.344 ( -1.410 -0.740 2.560) 3.015 3.555 ( 0.429 0.908 2.754) 2.931 3.660 ( -0.821 -4.605 3.818) 6.038 3.752 ( -1.083 4.296 -5.067) 6.730 3.796 ( 3.168 -0.406 -2.102) 3.823 4.049 ( -4.823 -4.630 8.082) 10.488 4.349 ( 0.047 1.251 -7.258) 7.366 4.543 ( -2.030 0.200 -0.350) 2.070 4.655 ( 1.329 -8.190 2.706) 8.727 4.727 ( -7.633 0.944 9.811) 12.467 5.477 ( 5.293 -6.414 -11.200) 13.950 11.172 ( 1.612 0.633 1.830) 2.520 11.198 ( -1.609 1.319 -2.734) 3.436 11.391 ( 0.723 -0.271 1.879) 2.031 11.432 ( -0.648 -1.146 -1.742) 2.184 14.680 ( -1.250 0.190 -0.909) 1.557 14.728 ( 2.963 0.242 0.942) 3.118 33.384 ( -12.452 5.677 0.842) 13.711 33.768 ( 12.570 2.072 5.643) 13.933 ======================= Grid point 158 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.529 -0.000 -4.322) 4.355 1.459 ( 8.755 -0.000 -2.756) 9.178 1.526 ( -1.603 0.000 -2.569) 3.028 1.787 ( 17.977 -0.000 -7.451) 19.460 1.907 ( 12.614 -0.000 -4.965) 13.556 2.141 ( 2.596 -0.000 5.920) 6.464 2.161 ( 3.695 -0.000 -2.040) 4.221 2.346 ( 0.731 -0.000 0.376) 0.822 2.413 ( 1.698 -0.000 -1.819) 2.489 2.468 ( -1.923 0.000 1.121) 2.226 2.702 ( -4.635 0.000 -3.600) 5.869 2.933 ( -4.122 0.000 -0.610) 4.167 2.933 ( -2.053 0.000 7.334) 7.615 3.181 ( -2.501 0.000 7.433) 7.842 3.202 ( -2.748 0.000 6.704) 7.245 3.251 ( 6.823 -0.000 0.011) 6.823 3.281 ( -4.018 0.000 4.162) 5.785 3.350 ( -1.949 0.000 0.932) 2.161 3.589 ( -0.941 0.000 -3.085) 3.226 3.735 ( 0.417 -0.000 2.667) 2.700 3.759 ( 3.668 -0.000 6.336) 7.321 3.981 ( -3.943 0.000 9.197) 10.007 4.157 ( 1.216 -0.000 -3.852) 4.040 4.171 ( -1.060 0.000 0.183) 1.076 4.509 ( -3.876 0.000 -6.638) 7.687 4.526 ( 4.879 -0.000 1.070) 4.995 4.710 ( -1.409 0.000 -7.083) 7.222 4.953 ( -7.611 0.000 -6.276) 9.865 11.124 ( 0.918 -0.000 0.984) 1.345 11.289 ( 0.720 -0.000 -1.039) 1.265 11.338 ( -0.373 0.000 0.463) 0.595 11.446 ( -0.318 0.000 -0.288) 0.429 14.628 ( 1.647 -0.000 -0.396) 1.694 14.811 ( -3.140 0.000 1.269) 3.386 33.461 ( 10.670 -0.000 -0.277) 10.673 34.185 ( -8.645 0.000 4.891) 9.933 ======================= Grid point 159 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.874 4.218 -0.298) 4.318 1.464 ( -2.922 0.616 -1.310) 3.261 1.653 ( 13.896 -2.186 -2.167) 14.233 1.921 ( 8.669 0.135 -6.850) 11.049 2.077 ( 3.691 -3.715 -0.417) 5.253 2.144 ( 1.573 2.711 0.979) 3.284 2.268 ( 7.828 -3.769 -1.211) 8.772 2.365 ( 4.536 3.328 1.968) 5.960 2.435 ( 4.492 -0.171 -3.560) 5.734 2.450 ( 3.785 4.728 1.605) 6.265 2.588 ( -7.546 0.977 -3.539) 8.392 2.884 ( -5.510 -2.156 1.205) 6.038 2.947 ( -2.273 -4.086 5.061) 6.890 3.088 ( -5.303 8.444 6.052) 11.664 3.122 ( -2.234 6.485 4.404) 8.151 3.284 ( -0.510 0.463 7.530) 7.561 3.360 ( 2.956 0.646 1.307) 3.296 3.426 ( 3.127 -7.934 2.639) 8.927 3.600 ( -0.118 -0.845 1.691) 1.894 3.737 ( 1.456 0.956 2.348) 2.924 3.781 ( -4.476 -3.019 0.431) 5.416 3.930 ( -5.770 6.801 -3.692) 9.653 4.089 ( -0.295 4.330 11.316) 12.120 4.191 ( -2.153 -3.171 -5.404) 6.625 4.406 ( -3.195 0.201 -1.334) 3.468 4.622 ( -3.747 -3.542 -5.698) 7.685 4.733 ( 5.881 -5.301 -5.068) 9.401 4.854 ( -0.262 -2.160 -5.547) 5.959 11.144 ( 1.103 0.182 1.636) 1.982 11.286 ( -0.185 -0.000 -1.819) 1.829 11.342 ( 0.365 -0.057 1.165) 1.223 11.437 ( -0.700 -0.045 -0.793) 1.058 14.657 ( 2.619 -0.053 0.064) 2.621 14.768 ( -3.288 0.324 0.256) 3.313 33.603 ( 11.062 1.498 2.173) 11.372 34.048 ( -11.076 3.001 1.818) 11.618 ======================= Grid point 160 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -3.055 5.114 2.344) 6.402 1.416 ( 0.359 0.412 -4.562) 4.595 1.833 ( 6.945 2.391 2.898) 7.897 1.913 ( -0.650 -1.270 -1.709) 2.226 2.112 ( -2.797 -0.070 -4.487) 5.288 2.145 ( 4.288 0.589 -4.066) 5.938 2.293 ( -6.056 3.377 0.311) 6.941 2.391 ( 0.767 2.588 2.016) 3.369 2.442 ( 5.791 2.958 -2.530) 6.978 2.488 ( 1.953 -3.272 -3.396) 5.105 2.643 ( 11.051 -6.091 2.113) 12.794 2.818 ( -9.075 -1.906 -0.880) 9.315 2.900 ( -3.627 8.603 5.922) 11.056 3.011 ( 2.220 3.671 1.740) 4.630 3.116 ( 4.808 -1.348 8.526) 9.880 3.298 ( -1.775 0.679 5.507) 5.826 3.361 ( -1.343 1.605 -0.059) 2.094 3.504 ( -1.747 2.373 0.321) 2.964 3.586 ( -1.845 0.701 5.601) 5.938 3.724 ( -1.387 7.966 0.151) 8.087 3.778 ( -4.915 -6.474 6.682) 10.522 3.895 ( 6.820 -7.774 0.059) 10.342 3.995 ( -5.928 7.287 -1.540) 9.519 4.120 ( 0.141 2.280 -8.234) 8.545 4.441 ( -3.006 -5.462 2.692) 6.791 4.577 ( -3.035 -1.641 -2.860) 4.482 4.735 ( -0.644 0.317 -2.043) 2.165 5.037 ( 7.360 -12.107 -6.902) 15.760 11.165 ( 1.184 0.330 2.093) 2.427 11.265 ( -1.108 0.242 -2.502) 2.747 11.360 ( 0.875 -0.166 1.633) 1.860 11.422 ( -0.917 -0.217 -1.148) 1.485 14.697 ( 3.109 0.152 0.606) 3.172 14.722 ( -2.670 0.317 -0.593) 2.753 33.731 ( 10.504 3.396 3.966) 11.730 33.833 ( -11.371 5.575 -0.524) 12.675 ======================= Grid point 161 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -4.115 5.354 3.818) 7.757 1.426 ( -0.055 -4.247 -3.073) 5.242 1.783 ( 1.160 8.842 5.671) 10.569 1.938 ( -10.475 -3.219 -2.308) 11.199 1.983 ( -4.467 6.158 -8.818) 11.646 2.128 ( 0.312 2.931 -5.898) 6.594 2.146 ( -1.718 5.108 3.516) 6.435 2.385 ( 2.735 -0.278 -1.101) 2.961 2.501 ( -8.327 -6.696 -2.416) 10.955 2.533 ( 5.215 -4.308 -1.079) 6.850 2.674 ( -2.125 0.012 -3.949) 4.485 2.764 ( -4.768 5.882 5.620) 9.430 2.979 ( 12.269 -4.482 4.724) 13.890 3.031 ( 5.665 0.259 -2.528) 6.209 3.215 ( 1.144 3.633 8.184) 9.027 3.270 ( -1.382 0.649 -1.362) 2.046 3.331 ( -0.140 -0.358 2.937) 2.962 3.407 ( -1.163 6.836 1.373) 7.069 3.578 ( -1.392 0.199 3.219) 3.512 3.665 ( 0.526 6.822 7.990) 10.519 3.794 ( -4.644 0.587 -3.400) 5.785 3.865 ( -0.502 -3.860 4.570) 6.003 3.939 ( -0.267 5.943 -4.826) 7.661 4.223 ( 8.787 -9.045 -3.997) 13.228 4.464 ( -3.336 -4.371 1.872) 5.808 4.554 ( -1.451 -0.574 -2.461) 2.914 4.729 ( -2.972 -0.728 4.922) 5.795 5.234 ( 3.139 -10.860 -9.487) 14.758 11.187 ( 1.270 0.383 2.244) 2.607 11.225 ( -1.717 0.624 -2.810) 3.352 11.384 ( 0.998 -0.199 1.798) 2.066 11.408 ( -1.012 -0.547 -1.383) 1.799 14.684 ( -1.804 0.107 -1.071) 2.101 14.739 ( 3.071 0.454 1.093) 3.291 33.576 ( -10.329 7.033 -1.623) 12.601 33.857 ( 11.020 3.832 5.075) 12.723 ======================= Grid point 162 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.567 4.958 3.612) 6.160 1.482 ( -5.417 -7.201 -2.538) 9.361 1.696 ( 2.043 10.757 9.473) 14.479 1.742 ( -9.624 1.621 -7.063) 12.047 1.786 ( -13.484 -2.673 -1.328) 13.810 1.983 ( -0.961 5.474 -6.101) 8.253 2.193 ( 4.579 1.337 -2.047) 5.191 2.414 ( 0.990 -0.303 -2.024) 2.273 2.492 ( -0.816 -2.711 -1.228) 3.086 2.625 ( -2.223 -1.376 -1.173) 2.866 2.645 ( -1.015 0.204 -3.977) 4.110 2.721 ( 1.361 -7.171 1.065) 7.376 3.071 ( -2.522 2.873 3.029) 4.877 3.093 ( -3.847 1.626 -7.966) 8.994 3.152 ( 2.718 -1.735 2.876) 4.320 3.235 ( -1.887 8.458 -5.070) 10.040 3.339 ( 4.363 3.754 5.892) 8.237 3.364 ( 4.453 -0.043 5.616) 7.168 3.601 ( 0.447 2.971 0.808) 3.111 3.621 ( 1.930 0.373 6.518) 6.808 3.820 ( 3.603 0.098 6.353) 7.304 3.838 ( 0.815 2.863 -2.766) 4.063 3.943 ( -0.597 -3.980 4.260) 5.860 4.352 ( 3.911 -0.439 -4.781) 6.192 4.483 ( -4.705 -1.839 -0.292) 5.060 4.593 ( 1.635 -4.223 3.944) 6.005 4.721 ( -0.384 -0.994 2.496) 2.714 5.320 ( -3.468 -8.636 -10.071) 13.713 11.176 ( -1.730 0.877 -2.459) 3.132 11.212 ( 1.453 0.361 1.972) 2.476 11.396 ( -1.205 -0.836 -1.524) 2.115 11.409 ( 0.869 -0.129 1.647) 1.866 14.658 ( -1.235 -0.040 -1.123) 1.670 14.777 ( 2.492 0.407 1.585) 2.982 33.360 ( -5.124 6.294 -2.962) 8.640 33.979 ( 9.291 2.480 7.008) 11.899 ======================= Grid point 167 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.930 -0.000 -0.056) 0.931 1.443 ( -0.760 0.000 -1.677) 1.841 1.746 ( 4.519 -0.000 -1.740) 4.842 1.955 ( 0.626 -0.000 -11.518) 11.535 2.065 ( -0.098 0.000 6.672) 6.673 2.238 ( 3.182 -0.000 0.438) 3.212 2.286 ( 2.512 -0.000 -3.393) 4.222 2.360 ( -5.903 0.000 -7.321) 9.405 2.448 ( -6.311 0.000 2.738) 6.880 2.550 ( 12.359 -0.000 4.884) 13.289 2.581 ( 4.381 -0.000 -5.936) 7.377 2.795 ( -3.650 0.000 -0.994) 3.783 2.987 ( 7.268 -0.000 11.947) 13.984 3.131 ( -8.658 0.000 9.038) 12.516 3.185 ( -2.237 0.000 4.106) 4.676 3.265 ( -2.951 0.000 7.247) 7.825 3.401 ( 2.260 -0.000 1.683) 2.818 3.411 ( 3.303 -0.000 -1.803) 3.763 3.602 ( -13.031 0.000 0.827) 13.058 3.670 ( 6.097 -0.000 4.361) 7.496 3.786 ( 1.737 -0.000 -0.362) 1.774 3.867 ( -5.977 0.000 -2.312) 6.409 4.139 ( 0.855 -0.000 -3.893) 3.985 4.213 ( 1.688 -0.000 9.659) 9.805 4.391 ( -0.503 0.000 -7.648) 7.665 4.511 ( -3.492 0.000 0.427) 3.518 4.738 ( 5.592 -0.000 -5.771) 8.036 4.784 ( -1.222 0.000 -6.847) 6.955 11.170 ( 1.069 -0.000 2.159) 2.409 11.267 ( -1.034 0.000 -2.281) 2.504 11.358 ( 0.909 -0.000 1.580) 1.822 11.419 ( -0.987 0.000 -1.218) 1.567 14.699 ( 3.404 -0.000 0.650) 3.465 14.726 ( -2.987 0.000 -0.665) 3.060 33.784 ( 11.358 -0.000 4.955) 12.392 33.920 ( -11.529 0.000 -1.185) 11.590 ======================= Grid point 168 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -3.748 6.128 -1.593) 7.358 1.422 ( 2.647 2.652 -0.728) 3.817 1.800 ( -5.789 -5.678 -3.157) 8.702 1.831 ( -8.215 -3.444 -7.930) 11.926 2.081 ( -2.426 0.918 7.469) 7.907 2.196 ( -1.544 1.385 -4.211) 4.695 2.251 ( -1.761 4.966 -2.406) 5.793 2.312 ( -5.727 -5.656 -2.586) 8.454 2.483 ( 3.923 -0.930 -2.996) 5.023 2.500 ( -1.197 4.653 -3.569) 5.985 2.714 ( 5.300 2.032 0.831) 5.737 2.818 ( 6.499 -3.688 3.520) 8.260 2.992 ( -6.539 5.444 6.196) 10.525 3.139 ( 4.665 5.740 3.337) 8.114 3.198 ( 5.706 -2.267 8.864) 10.783 3.260 ( -4.270 -0.264 3.419) 5.476 3.330 ( -2.119 4.841 -2.216) 5.730 3.470 ( -10.769 -6.099 2.791) 12.687 3.537 ( 2.245 -3.771 -0.154) 4.391 3.744 ( 0.387 1.438 7.915) 8.054 3.801 ( 1.988 2.152 1.150) 3.147 3.892 ( 7.060 -6.754 -0.603) 9.789 4.081 ( -0.068 8.058 -2.466) 8.427 4.187 ( 1.652 7.758 -1.511) 8.075 4.366 ( -1.350 -2.488 1.551) 3.228 4.507 ( -1.728 -2.263 1.106) 3.055 4.712 ( -0.255 0.487 -5.420) 5.448 4.888 ( 2.731 -11.868 -7.015) 14.054 11.194 ( 0.895 0.087 2.384) 2.548 11.236 ( -1.683 0.152 -2.545) 3.055 11.381 ( 1.167 -0.053 1.719) 2.078 11.399 ( -1.077 -0.118 -1.394) 1.766 14.686 ( -2.200 0.015 -1.268) 2.540 14.750 ( 3.521 0.244 1.259) 3.747 33.732 ( -10.856 3.221 -3.404) 11.824 33.949 ( 10.848 2.020 6.460) 12.787 ======================= Grid point 169 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -6.260 1.870 0.982) 6.607 1.394 ( 0.116 4.768 -0.832) 4.842 1.652 ( -16.787 -5.917 -7.672) 19.382 1.749 ( -14.140 -1.006 -1.328) 14.238 2.036 ( -6.620 5.895 -1.290) 8.957 2.113 ( -1.670 3.604 -3.242) 5.127 2.190 ( 3.542 -6.777 3.990) 8.625 2.348 ( 0.784 -3.220 -0.576) 3.363 2.419 ( 1.746 4.348 -3.183) 5.665 2.535 ( 4.258 -0.630 -4.390) 6.148 2.671 ( -0.713 4.390 -4.812) 6.553 2.864 ( -1.663 8.482 5.477) 10.233 3.013 ( 0.992 -4.484 1.634) 4.874 3.109 ( 3.747 2.217 -2.399) 4.971 3.188 ( -4.825 1.574 2.642) 5.722 3.275 ( 0.542 -1.551 0.539) 1.729 3.345 ( 3.655 -1.630 4.678) 6.156 3.479 ( -2.571 1.596 1.945) 3.598 3.543 ( -2.239 -2.332 -0.273) 3.245 3.764 ( 0.021 1.119 5.509) 5.622 3.835 ( 3.420 2.149 8.276) 9.209 3.940 ( 2.801 8.622 -1.343) 9.164 4.027 ( 3.297 3.209 -1.444) 4.822 4.203 ( 8.467 -6.076 -2.302) 10.673 4.391 ( -2.240 -2.079 4.746) 5.645 4.529 ( 0.624 -1.302 0.042) 1.444 4.695 ( -1.500 -1.400 -0.055) 2.053 5.028 ( -1.557 -11.543 -9.187) 14.834 11.194 ( -1.916 0.401 -2.478) 3.158 11.216 ( 0.790 -0.024 2.241) 2.377 11.381 ( -1.047 -0.260 -1.327) 1.710 11.406 ( 1.092 -0.060 1.589) 1.929 14.656 ( -1.313 -0.107 -1.425) 1.941 14.794 ( 2.763 0.675 1.735) 3.331 33.523 ( -8.175 4.577 -4.790) 10.522 34.079 ( 9.310 3.738 6.977) 12.220 ======================= Grid point 170 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 3.306 2.198 0.918) 4.075 1.224 ( -17.828 -2.286 -3.515) 18.314 1.437 ( -16.702 -7.079 -5.131) 18.852 1.650 ( -2.606 -2.061 2.285) 4.033 1.940 ( 2.893 8.337 5.459) 10.376 2.014 ( -3.964 0.189 -5.156) 6.506 2.273 ( 2.336 5.340 0.555) 5.855 2.424 ( 3.751 -1.809 -1.735) 4.511 2.448 ( 5.243 -6.262 -3.962) 9.078 2.513 ( -4.863 -0.476 -7.682) 9.104 2.638 ( 2.863 -0.666 -3.918) 4.899 2.719 ( -1.539 7.668 3.905) 8.742 2.993 ( -4.367 -1.271 -0.766) 4.612 3.062 ( -7.100 5.957 -4.056) 10.117 3.198 ( 3.761 -1.813 1.417) 4.409 3.289 ( -1.152 2.185 -1.203) 2.747 3.330 ( -5.851 2.274 1.298) 6.410 3.463 ( 5.753 -0.994 3.385) 6.748 3.592 ( 0.886 -2.312 0.903) 2.636 3.733 ( -1.786 3.257 -0.200) 3.720 3.906 ( 1.975 0.767 5.507) 5.900 3.909 ( 5.142 3.942 5.744) 8.659 4.059 ( 8.532 3.638 5.334) 10.699 4.373 ( 5.553 -3.405 -3.250) 7.280 4.411 ( -2.319 -1.727 4.532) 5.375 4.573 ( 0.668 -3.313 0.578) 3.429 4.709 ( 0.348 -1.589 2.236) 2.765 5.070 ( -6.194 -8.828 -10.390) 14.975 11.151 ( -1.610 0.496 -2.023) 2.633 11.239 ( 0.914 -0.191 1.743) 1.977 11.365 ( -1.000 -0.345 -1.085) 1.515 11.427 ( 0.791 -0.032 1.281) 1.506 14.638 ( -0.657 -0.091 -1.200) 1.371 14.820 ( 1.180 0.798 2.053) 2.499 33.357 ( -3.355 3.625 -5.492) 7.386 34.160 ( 5.565 4.026 7.088) 9.871 ======================= Grid point 176 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -9.397 0.000 -0.814) 9.432 1.451 ( -14.015 0.000 -7.849) 16.063 1.574 ( 0.719 -0.000 -3.459) 3.533 1.683 ( -8.760 0.000 -2.283) 9.053 2.015 ( -22.814 0.000 -6.951) 23.849 2.036 ( -0.916 0.000 7.243) 7.301 2.291 ( 6.063 -0.000 1.100) 6.162 2.317 ( 2.162 -0.000 -3.069) 3.754 2.449 ( 0.547 -0.000 -7.504) 7.524 2.592 ( 8.114 -0.000 0.395) 8.124 2.802 ( -0.426 0.000 0.338) 0.544 2.865 ( 6.026 -0.000 3.829) 7.139 2.942 ( -6.124 0.000 -0.321) 6.133 3.193 ( -9.315 0.000 3.751) 10.042 3.280 ( 1.311 -0.000 3.566) 3.799 3.304 ( 3.136 -0.000 1.633) 3.536 3.308 ( 4.372 -0.000 6.917) 8.183 3.427 ( -1.466 0.000 -0.503) 1.550 3.484 ( 2.455 -0.000 -1.746) 3.013 3.777 ( -0.148 0.000 3.953) 3.955 3.871 ( 3.004 -0.000 2.740) 4.066 3.934 ( 6.423 -0.000 2.360) 6.843 4.146 ( 1.128 -0.000 1.146) 1.608 4.216 ( -2.794 0.000 -8.899) 9.327 4.371 ( 0.609 -0.000 6.423) 6.452 4.504 ( 1.392 -0.000 5.387) 5.564 4.689 ( -1.357 0.000 -6.341) 6.485 4.778 ( 2.592 -0.000 -6.654) 7.141 11.199 ( -1.957 0.000 -2.407) 3.102 11.215 ( 0.441 -0.000 2.324) 2.366 11.378 ( -0.976 0.000 -1.316) 1.638 11.405 ( 1.189 -0.000 1.542) 1.947 14.654 ( -1.344 0.000 -1.585) 2.078 14.805 ( 3.099 -0.000 1.830) 3.599 33.592 ( -9.729 0.000 -5.603) 11.228 34.140 ( 9.833 -0.000 7.569) 12.409 ======================= Grid point 177 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -13.756 1.367 2.206) 13.999 1.252 ( -20.557 -6.667 -4.261) 22.028 1.447 ( -11.516 7.248 -4.097) 14.211 1.646 ( 4.562 1.100 0.153) 4.695 1.715 ( -21.365 -9.992 -5.473) 24.213 2.187 ( 8.192 -3.918 5.124) 10.426 2.267 ( 2.914 5.625 0.002) 6.335 2.372 ( 4.663 0.541 -1.220) 4.850 2.456 ( 3.197 -2.040 -7.131) 8.076 2.605 ( 1.221 7.995 -5.283) 9.660 2.719 ( -0.228 4.677 -2.739) 5.425 2.920 ( 0.135 -2.250 0.614) 2.336 2.976 ( 1.083 -2.888 1.995) 3.674 3.106 ( -6.365 0.794 7.794) 10.094 3.224 ( -4.310 9.196 -1.308) 10.240 3.305 ( 3.553 2.246 0.617) 4.249 3.386 ( 1.584 -2.553 3.693) 4.760 3.471 ( 1.511 -4.636 -0.640) 4.918 3.497 ( 0.949 2.243 -2.533) 3.514 3.806 ( 0.237 -0.274 3.509) 3.528 3.914 ( 2.034 0.806 3.740) 4.333 4.010 ( 1.546 -1.765 -4.336) 4.930 4.094 ( 0.992 3.855 -1.401) 4.220 4.227 ( 3.240 -4.352 2.017) 5.789 4.403 ( -0.087 0.408 6.365) 6.379 4.544 ( 1.372 1.291 0.322) 1.911 4.666 ( 0.373 -2.262 1.392) 2.682 4.832 ( 0.144 -5.976 -5.718) 8.272 11.161 ( -1.839 0.169 -2.051) 2.760 11.231 ( 0.120 -0.259 1.937) 1.957 11.361 ( -0.736 -0.037 -0.943) 1.197 11.426 ( 0.897 0.003 1.160) 1.467 14.635 ( -0.443 -0.080 -1.484) 1.551 14.844 ( 1.652 0.642 2.120) 2.764 33.432 ( -7.171 1.440 -6.622) 9.866 34.277 ( 7.728 2.965 6.884) 10.765 ======================= Grid point 178 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -18.623 0.376 2.705) 18.822 1.086 ( -9.241 -12.132 7.286) 16.902 1.267 ( -0.744 1.812 -4.228) 4.659 1.642 ( -7.549 -9.095 -3.819) 12.422 1.728 ( 0.706 -6.989 1.065) 7.105 2.154 ( 2.725 8.873 2.789) 9.692 2.342 ( -5.015 0.309 -4.400) 6.679 2.403 ( 1.607 6.446 -7.301) 9.871 2.480 ( 10.000 -5.773 -2.364) 11.786 2.530 ( 7.173 4.552 -2.646) 8.898 2.678 ( 1.899 2.231 1.915) 3.500 2.862 ( -3.983 12.684 -4.456) 14.021 2.946 ( -0.270 1.265 3.341) 3.582 3.025 ( -7.620 5.148 -3.450) 9.822 3.135 ( -2.779 -6.907 3.276) 8.134 3.268 ( -5.092 2.405 1.233) 5.764 3.378 ( 0.929 4.751 -0.710) 4.893 3.508 ( 4.300 -3.047 -0.143) 5.272 3.589 ( 3.856 -2.742 0.247) 4.738 3.779 ( 0.225 4.368 0.434) 4.396 3.946 ( -0.125 -0.626 4.210) 4.258 4.016 ( 2.504 3.250 -2.428) 4.768 4.124 ( 0.482 -7.320 -2.050) 7.617 4.375 ( 5.196 -5.382 2.733) 7.965 4.417 ( -1.577 0.067 3.870) 4.179 4.533 ( -0.526 -0.773 -0.172) 0.951 4.744 ( 2.159 -1.101 7.692) 8.065 4.859 ( -1.383 -3.510 -6.483) 7.501 11.128 ( -1.288 0.189 -1.417) 1.924 11.247 ( 0.179 -0.736 1.168) 1.392 11.349 ( -0.482 0.023 -0.390) 0.620 11.440 ( 0.426 -0.007 0.740) 0.854 14.628 ( 0.188 -0.038 -1.084) 1.101 14.849 ( -0.658 1.187 2.107) 2.506 33.313 ( -2.721 0.595 -6.607) 7.170 34.317 ( 2.547 6.025 5.301) 8.420 ======================= Grid point 185 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -14.609 0.000 7.248) 16.308 1.004 ( -14.202 0.000 6.337) 15.552 1.251 ( -24.791 0.000 0.557) 24.798 1.362 ( -5.731 0.000 -6.003) 8.299 1.760 ( 7.390 -0.000 -0.852) 7.439 2.301 ( -2.232 0.000 -5.852) 6.263 2.333 ( 13.142 -0.000 3.381) 13.570 2.406 ( 0.041 -0.000 -6.168) 6.168 2.455 ( 6.346 -0.000 -1.924) 6.631 2.690 ( 1.121 -0.000 -7.764) 7.845 2.712 ( 1.938 -0.000 0.753) 2.079 2.940 ( -1.965 0.000 0.678) 2.079 2.955 ( 4.762 -0.000 1.221) 4.916 3.082 ( -4.707 0.000 6.735) 8.217 3.233 ( -6.841 0.000 -1.635) 7.034 3.314 ( -4.587 0.000 -2.659) 5.302 3.368 ( -2.267 0.000 4.966) 5.459 3.484 ( 7.054 -0.000 -1.795) 7.278 3.560 ( 5.021 -0.000 -2.477) 5.599 3.774 ( -3.192 0.000 -1.147) 3.392 3.954 ( 1.112 -0.000 -0.517) 1.226 3.955 ( -5.088 0.000 -2.298) 5.583 4.103 ( 1.647 -0.000 -2.524) 3.014 4.266 ( 5.319 -0.000 5.280) 7.495 4.416 ( -1.422 0.000 1.846) 2.330 4.590 ( 0.633 -0.000 -2.830) 2.900 4.607 ( -0.615 0.000 -0.729) 0.954 4.862 ( 4.265 -0.000 9.730) 10.624 11.131 ( -1.450 0.000 -1.473) 2.067 11.234 ( -0.470 0.000 1.383) 1.461 11.350 ( -0.332 0.000 -0.289) 0.440 11.440 ( 0.435 -0.000 0.633) 0.768 14.627 ( 0.332 -0.000 -1.211) 1.256 14.871 ( -0.256 0.000 2.004) 2.020 33.321 ( -4.834 0.000 -7.127) 8.612 34.424 ( 5.972 -0.000 4.111) 7.250 ======================= Grid point 186 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -11.503 1.961 14.190) 18.372 0.895 ( -6.137 -8.397 16.133) 19.195 1.189 ( -7.078 -16.477 10.204) 20.633 1.314 ( 1.693 -1.043 -7.461) 7.722 1.834 ( 7.134 1.881 -0.034) 7.378 2.192 ( -5.478 0.399 -10.164) 11.553 2.346 ( 2.324 7.582 -1.570) 8.084 2.477 ( 4.815 0.963 -5.357) 7.267 2.563 ( 10.199 -0.525 -1.075) 10.269 2.666 ( 5.374 2.116 -1.312) 5.923 2.736 ( 0.782 0.959 0.001) 1.237 2.870 ( -5.705 5.504 -3.278) 8.578 2.957 ( -9.081 4.612 -6.424) 12.041 3.048 ( 3.967 -3.437 0.593) 5.282 3.069 ( -4.131 7.545 3.286) 9.208 3.239 ( -4.799 2.425 5.957) 8.025 3.385 ( -3.696 -3.767 1.028) 5.377 3.535 ( 4.180 1.805 -3.962) 6.036 3.609 ( 3.903 -1.678 -1.734) 4.589 3.792 ( -1.420 -6.627 -2.622) 7.267 3.869 ( -7.115 -4.049 -6.155) 10.242 3.960 ( -2.959 -2.143 0.515) 3.690 4.129 ( 7.228 5.234 2.400) 9.241 4.379 ( -2.771 0.677 -0.969) 3.012 4.416 ( 7.972 -4.349 0.539) 9.098 4.540 ( -0.743 0.878 1.694) 2.048 4.682 ( 1.326 -6.538 -1.255) 6.788 4.950 ( 2.162 3.391 14.136) 14.696 11.109 ( -0.763 0.005 -0.750) 1.070 11.237 ( -0.601 -0.854 0.532) 1.172 11.348 ( 0.008 0.134 0.459) 0.478 11.445 ( -0.034 -0.026 0.280) 0.284 14.630 ( 0.749 -0.005 -0.747) 1.058 14.852 ( -2.751 1.020 1.492) 3.292 33.253 ( -0.253 -0.732 -6.387) 6.434 34.440 ( -0.139 6.234 -0.345) 6.245 ======================= Grid point 194 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -8.539 0.000 17.519) 19.490 0.811 ( -4.942 0.000 24.510) 25.003 1.156 ( 4.097 -0.000 29.574) 29.856 1.379 ( 12.150 -0.000 -9.871) 15.654 1.934 ( 5.915 -0.000 -0.653) 5.951 2.069 ( -4.136 0.000 -9.613) 10.465 2.450 ( 3.924 -0.000 -2.448) 4.625 2.493 ( 1.586 -0.000 -5.080) 5.322 2.661 ( 1.376 -0.000 -5.948) 6.105 2.684 ( 0.383 -0.000 -2.504) 2.533 2.750 ( 0.938 -0.000 -0.338) 0.997 2.810 ( -10.350 0.000 -15.910) 18.981 2.868 ( -0.973 0.000 3.522) 3.654 3.069 ( 1.774 -0.000 -0.762) 1.930 3.077 ( -2.675 0.000 1.452) 3.044 3.255 ( -9.568 0.000 5.040) 10.814 3.296 ( 0.619 -0.000 9.632) 9.652 3.541 ( -4.543 0.000 -15.380) 16.037 3.593 ( -0.830 0.000 -3.267) 3.371 3.646 ( 3.557 -0.000 -1.068) 3.714 3.774 ( -3.449 0.000 -2.902) 4.507 3.909 ( -3.984 0.000 1.486) 4.252 4.264 ( -2.280 0.000 0.504) 2.335 4.423 ( -0.427 0.000 -5.179) 5.197 4.474 ( 15.123 -0.000 3.408) 15.502 4.552 ( 3.629 -0.000 1.931) 4.110 4.686 ( 9.055 -0.000 4.234) 9.996 5.052 ( -3.062 0.000 16.404) 16.687 11.102 ( -0.052 0.000 -0.065) 0.083 11.218 ( -1.185 0.000 -0.048) 1.186 11.356 ( 0.298 -0.000 1.271) 1.306 11.444 ( -0.007 0.000 0.157) 0.158 14.639 ( 1.036 -0.000 -0.361) 1.098 14.815 ( -4.707 0.000 0.477) 4.731 33.245 ( 4.775 -0.000 -4.640) 6.658 34.424 ( -8.527 0.000 -9.595) 12.837 ======================= Grid point 195 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 11.259 -0.000 -4.910) 12.283 1.332 ( -11.259 0.000 4.910) 12.283 1.492 ( -8.496 0.000 -9.474) 12.725 1.492 ( 8.496 -0.000 9.474) 12.725 2.119 ( -12.233 0.000 -11.770) 16.976 2.119 ( 12.233 -0.000 11.770) 16.976 2.406 ( -4.191 0.000 -9.155) 10.069 2.406 ( 4.191 -0.000 9.155) 10.069 2.551 ( -6.806 0.000 -17.167) 18.467 2.551 ( 6.806 -0.000 17.167) 18.467 2.623 ( -9.541 0.000 -4.351) 10.486 2.623 ( 9.541 -0.000 4.351) 10.486 2.709 ( -1.460 0.000 -2.303) 2.727 2.709 ( 1.460 -0.000 2.303) 2.727 3.115 ( 4.921 -0.000 -3.346) 5.951 3.115 ( -4.921 0.000 3.346) 5.951 3.467 ( -4.522 0.000 -2.275) 5.062 3.467 ( 4.522 -0.000 2.275) 5.062 3.577 ( -0.077 0.000 -6.871) 6.872 3.577 ( 0.077 -0.000 6.871) 6.872 3.803 ( -5.984 0.000 -0.749) 6.031 3.803 ( 5.984 -0.000 0.749) 6.031 4.155 ( 0.270 -0.000 -3.984) 3.994 4.155 ( -0.270 0.000 3.984) 3.994 4.704 ( 3.373 -0.000 -2.610) 4.265 4.704 ( -3.373 0.000 2.610) 4.265 5.200 ( 22.268 -0.000 -12.617) 25.594 5.200 ( -22.268 0.000 12.617) 25.594 11.150 ( -1.610 0.000 -1.289) 2.062 11.150 ( 1.610 -0.000 1.289) 2.062 11.427 ( 0.186 -0.000 -2.230) 2.238 11.427 ( -0.186 0.000 2.230) 2.238 14.689 ( -2.859 0.000 -0.369) 2.883 14.689 ( 2.859 -0.000 0.369) 2.883 33.583 ( -22.804 0.000 -3.542) 23.077 33.583 ( 22.804 -0.000 3.542) 23.077 ======================= Grid point 197 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -8.974 -2.092 -0.037) 9.215 1.332 ( -4.842 0.332 -9.474) 10.645 1.412 ( 4.471 -1.676 -15.600) 16.314 1.656 ( 7.215 0.737 14.721) 16.410 1.905 ( -12.278 -2.065 -10.610) 16.359 2.215 ( 0.246 5.825 -0.969) 5.910 2.304 ( -4.354 2.770 5.739) 7.718 2.373 ( -3.882 -1.855 -12.105) 12.847 2.505 ( 2.890 -0.503 -2.079) 3.595 2.542 ( -2.210 -0.121 -1.703) 2.793 2.688 ( -0.184 -1.154 1.004) 1.541 2.712 ( -0.120 0.201 1.381) 1.401 2.807 ( 5.738 -7.864 11.836) 15.326 2.864 ( 10.407 -4.083 14.100) 17.994 3.084 ( -1.249 -1.654 2.354) 3.137 3.156 ( 7.744 3.005 -4.720) 9.554 3.373 ( -2.992 3.186 -3.295) 5.474 3.499 ( 1.460 3.350 3.067) 4.770 3.533 ( -0.331 1.213 -6.067) 6.196 3.627 ( 1.687 -1.963 2.827) 3.833 3.733 ( -3.042 -1.006 -0.441) 3.234 3.876 ( 5.642 0.926 0.983) 5.801 4.161 ( 1.044 -0.543 -0.680) 1.359 4.237 ( 2.215 -3.470 7.501) 8.557 4.612 ( -7.974 4.662 0.052) 9.237 4.719 ( 0.664 -0.896 -2.926) 3.132 4.931 ( -22.404 -0.949 7.470) 23.636 5.337 ( 11.301 2.983 -15.055) 19.059 11.128 ( -1.214 -0.487 -1.273) 1.825 11.185 ( 1.776 -0.692 1.347) 2.334 11.411 ( -0.447 0.405 -2.515) 2.586 11.432 ( -0.112 0.129 1.438) 1.448 14.660 ( -1.427 -0.093 -0.537) 1.528 14.741 ( 4.329 0.104 0.516) 4.361 33.320 ( -15.710 -1.363 1.309) 15.823 33.905 ( 20.570 1.942 8.180) 22.222 ======================= Grid point 198 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -8.906 -0.278 4.212) 9.855 1.282 ( -2.532 -4.217 -13.549) 14.414 1.405 ( 5.644 -5.730 -18.039) 19.751 1.734 ( -12.223 -3.286 -3.749) 13.201 1.808 ( 3.534 -0.344 11.300) 11.845 2.119 ( -1.316 2.719 -2.311) 3.803 2.203 ( -3.661 3.433 2.636) 5.669 2.342 ( -2.416 -0.675 0.945) 2.681 2.483 ( 1.491 1.906 -6.819) 7.236 2.528 ( -1.260 1.007 2.053) 2.611 2.652 ( -4.616 3.405 0.532) 5.761 2.724 ( 3.449 0.364 0.036) 3.469 2.928 ( -0.090 0.030 -1.615) 1.617 3.051 ( 1.639 -3.226 3.705) 5.179 3.163 ( 4.386 0.388 -1.556) 4.670 3.261 ( 3.546 0.651 1.437) 3.881 3.300 ( 2.328 -0.201 0.507) 2.391 3.467 ( -2.836 -1.067 4.473) 5.403 3.546 ( 6.512 -0.692 4.690) 8.055 3.693 ( 2.089 -0.814 1.048) 2.475 3.759 ( 2.059 -4.884 2.477) 5.850 3.949 ( 6.187 0.817 1.747) 6.481 4.171 ( -2.667 2.968 1.083) 4.134 4.269 ( -4.128 1.663 3.863) 5.894 4.464 ( -2.631 -1.981 0.585) 3.345 4.707 ( -7.511 -3.964 -0.028) 8.493 4.775 ( -4.417 0.678 0.913) 4.561 5.272 ( 1.107 6.392 -15.058) 16.396 11.117 ( -0.804 -0.538 -1.071) 1.443 11.226 ( 1.461 -0.962 1.275) 2.165 11.382 ( -0.882 0.606 -1.968) 2.240 11.438 ( 0.280 0.031 0.870) 0.914 14.642 ( -1.112 -0.015 -0.559) 1.245 14.797 ( 4.004 0.458 0.565) 4.069 33.217 ( -6.787 -3.209 2.213) 7.827 34.128 ( 12.996 3.841 7.240) 15.365 ======================= Grid point 199 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -7.765 0.035 -5.594) 9.570 1.200 ( -1.752 -0.305 -5.180) 5.477 1.531 ( -1.889 -6.443 -10.014) 12.057 1.639 ( -0.786 -3.493 0.756) 3.659 1.860 ( -1.334 0.335 4.582) 4.784 2.119 ( 2.786 2.030 7.350) 8.118 2.170 ( -1.280 -2.474 -0.930) 2.937 2.317 ( -1.871 1.737 3.866) 4.633 2.454 ( 0.644 0.768 -5.980) 6.064 2.498 ( -2.332 -1.632 -1.650) 3.290 2.559 ( -2.000 0.992 0.026) 2.233 2.741 ( 3.536 5.295 0.691) 6.405 2.865 ( -2.615 1.842 -3.341) 4.626 3.076 ( -0.018 -0.351 -5.792) 5.803 3.164 ( -0.236 6.736 4.498) 8.103 3.238 ( -0.642 -3.529 1.660) 3.952 3.330 ( 3.912 1.166 -6.079) 7.322 3.502 ( -1.571 -2.432 4.480) 5.334 3.668 ( 2.569 -1.875 2.602) 4.109 3.678 ( -2.398 2.597 1.762) 3.949 3.976 ( -4.214 3.030 2.739) 5.868 4.022 ( 4.567 -1.672 1.165) 5.001 4.040 ( 6.254 -6.908 7.285) 11.828 4.328 ( 5.931 -2.744 2.297) 6.927 4.495 ( -1.955 -2.076 3.057) 4.181 4.656 ( -5.898 -2.874 0.912) 6.624 4.755 ( 1.246 1.012 -0.873) 1.827 5.057 ( -5.223 8.394 -14.229) 17.326 11.110 ( -0.400 -0.321 -0.611) 0.797 11.259 ( 0.801 -0.649 0.784) 1.295 11.356 ( -0.646 0.419 -1.028) 1.284 11.446 ( 0.306 -0.024 0.458) 0.551 14.626 ( -0.807 0.051 -0.309) 0.866 14.836 ( 2.266 0.445 0.315) 2.331 33.218 ( -1.801 -2.662 1.257) 3.451 34.231 ( 5.985 2.861 3.578) 7.537 ======================= Grid point 200 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 -0.000) 0.000 1.479 ( -0.000 0.000 -0.000) 0.000 1.715 ( -0.000 0.000 0.000) 0.000 1.859 ( 0.000 -0.000 0.000) 0.000 2.144 ( -0.000 0.000 -0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.294 ( -0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 -0.000) 0.000 2.574 ( 0.000 -0.000 -0.000) 0.000 2.683 ( -0.000 0.000 -0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 -0.000 -0.000) 0.000 3.102 ( -0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.337 ( -0.000 0.000 0.000) 0.000 3.524 ( -0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.705 ( -0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 -0.000) 0.000 4.060 ( -0.000 0.000 0.000) 0.000 4.200 ( -0.000 0.000 -0.000) 0.000 4.478 ( 0.000 0.000 -0.000) 0.000 4.485 ( -0.000 0.000 0.000) 0.000 4.648 ( 0.000 -0.000 -0.000) 0.000 4.750 ( -0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 -0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.271 ( -0.000 0.000 0.000) 0.000 11.345 ( -0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 14.619 ( -0.000 0.000 0.000) 0.000 14.848 ( -0.000 0.000 0.000) 0.000 33.231 ( -0.000 0.000 0.000) 0.000 34.258 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 206 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -1.229 0.000 -4.614) 4.775 1.238 ( -3.849 0.000 -5.143) 6.424 1.327 ( 2.949 -0.000 -24.963) 25.137 1.629 ( -14.248 0.000 -14.392) 20.252 1.813 ( 4.517 -0.000 9.901) 10.883 2.113 ( -6.109 0.000 -14.160) 15.421 2.345 ( -3.075 0.000 8.660) 9.190 2.362 ( -0.871 0.000 8.208) 8.254 2.561 ( 1.063 -0.000 3.505) 3.662 2.574 ( 5.077 -0.000 2.257) 5.556 2.688 ( 0.972 -0.000 -2.024) 2.246 2.744 ( 1.652 -0.000 1.074) 1.970 2.843 ( 3.535 -0.000 8.016) 8.761 3.027 ( -4.156 0.000 2.456) 4.827 3.034 ( 8.005 -0.000 13.029) 15.291 3.258 ( 5.532 -0.000 -0.416) 5.547 3.385 ( 3.848 -0.000 -4.053) 5.589 3.504 ( 0.503 -0.000 -8.113) 8.129 3.562 ( 1.076 -0.000 -0.869) 1.383 3.596 ( -4.190 0.000 3.203) 5.274 3.722 ( 3.284 -0.000 2.123) 3.910 3.941 ( 4.239 -0.000 -0.881) 4.330 4.225 ( 3.292 -0.000 4.459) 5.543 4.269 ( 1.788 -0.000 8.832) 9.011 4.484 ( -22.948 0.000 1.028) 22.971 4.597 ( -3.763 0.000 -1.423) 4.023 4.784 ( -1.709 0.000 -5.139) 5.416 5.371 ( 1.794 -0.000 -14.466) 14.577 11.108 ( -0.583 0.000 -0.723) 0.929 11.210 ( 1.843 -0.000 0.772) 1.998 11.392 ( -0.916 0.000 -2.286) 2.463 11.439 ( 0.153 -0.000 0.792) 0.807 14.641 ( -1.025 0.000 -0.568) 1.172 14.807 ( 4.366 -0.000 1.056) 4.491 33.169 ( -6.643 0.000 2.909) 7.252 34.204 ( 12.545 -0.000 11.637) 17.111 ======================= Grid point 207 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.268 3.508 -6.668) 8.212 1.190 ( 1.107 0.163 -6.481) 6.577 1.313 ( 7.485 -5.448 -20.389) 22.392 1.454 ( -7.025 -9.164 -11.290) 16.149 1.841 ( -5.793 0.089 0.240) 5.798 2.039 ( 1.459 -0.659 2.075) 2.621 2.283 ( -2.573 5.473 6.529) 8.899 2.389 ( -1.898 -0.287 3.935) 4.378 2.511 ( -5.902 2.645 2.560) 6.956 2.649 ( 3.154 10.409 5.383) 12.135 2.657 ( 1.047 -0.032 3.604) 3.753 2.760 ( 3.129 0.936 -1.102) 3.447 2.921 ( 3.023 -0.095 0.421) 3.054 3.049 ( -0.446 -5.745 1.560) 5.970 3.130 ( 0.910 1.210 -3.170) 3.513 3.358 ( 3.023 0.037 8.922) 9.420 3.383 ( 2.987 4.980 -2.614) 6.368 3.439 ( -1.164 0.968 -1.322) 2.010 3.572 ( -1.675 -3.311 1.493) 4.000 3.687 ( 4.160 -10.810 3.199) 12.016 3.778 ( 5.304 3.341 2.807) 6.868 3.993 ( 0.497 -1.733 -0.282) 1.825 4.166 ( -10.886 5.407 0.599) 12.169 4.266 ( 0.935 0.140 7.028) 7.092 4.398 ( 0.361 -5.228 2.229) 5.694 4.569 ( -2.193 -2.276 -1.950) 3.714 4.747 ( -0.484 -0.664 -5.994) 6.050 5.247 ( -4.994 3.928 -13.513) 14.932 11.104 ( 0.016 -0.136 -0.187) 0.232 11.239 ( 1.501 -0.516 0.277) 1.611 11.367 ( -0.929 0.273 -1.425) 1.722 11.445 ( 0.283 -0.034 0.373) 0.470 14.626 ( -0.968 -0.029 -0.286) 1.010 14.855 ( 2.430 0.615 1.020) 2.707 33.159 ( 0.812 -1.184 2.715) 3.071 34.341 ( 4.079 3.198 8.454) 9.917 ======================= Grid point 208 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 8.637 6.396 -6.163) 12.389 1.221 ( 6.853 0.982 -2.050) 7.220 1.354 ( 0.026 -7.304 -14.646) 16.367 1.614 ( 7.478 -5.566 -1.185) 9.397 1.773 ( -2.958 -7.584 -3.144) 8.727 2.127 ( 3.321 -0.953 6.340) 7.220 2.210 ( -0.210 5.150 3.038) 5.983 2.372 ( -2.535 2.499 1.060) 3.714 2.400 ( -6.929 -1.467 1.464) 7.232 2.504 ( -5.051 5.033 2.842) 7.675 2.713 ( 8.184 11.419 5.716) 15.167 2.754 ( -1.161 -2.159 -2.790) 3.714 2.926 ( 3.430 5.964 2.686) 7.386 3.060 ( -0.485 1.510 -7.181) 7.354 3.162 ( 2.097 -5.604 1.489) 6.166 3.279 ( -3.261 6.337 4.275) 8.310 3.394 ( 4.142 2.805 -4.926) 7.021 3.470 ( -0.265 -3.038 3.388) 4.558 3.605 ( -2.798 -5.036 -0.959) 5.840 3.733 ( -1.357 5.355 4.146) 6.907 3.930 ( -7.002 0.583 3.105) 7.681 4.003 ( 5.680 -10.919 5.016) 13.291 4.078 ( 0.537 1.610 -0.045) 1.698 4.350 ( 1.643 -5.732 5.376) 8.029 4.467 ( 3.080 -1.494 -2.582) 4.288 4.580 ( -0.879 -2.489 -1.114) 2.865 4.739 ( -0.324 -2.716 -1.923) 3.343 5.009 ( -8.072 6.947 -12.206) 16.199 11.109 ( 0.507 0.019 0.420) 0.659 11.263 ( 0.815 -0.486 -0.348) 1.011 11.349 ( -0.436 0.206 -0.377) 0.612 11.449 ( 0.026 -0.048 -0.058) 0.080 14.617 ( -0.380 -0.131 0.082) 0.411 14.864 ( -0.000 0.894 0.533) 1.041 33.224 ( 4.433 -0.376 2.041) 4.895 34.330 ( -1.684 4.044 3.519) 5.619 ======================= Grid point 209 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 16.727 6.765 3.371) 18.355 1.230 ( 1.471 2.532 -0.491) 2.969 1.473 ( 9.898 -8.009 -7.748) 14.904 1.674 ( 1.137 -2.043 -0.560) 2.405 1.926 ( 5.319 0.847 1.092) 5.496 2.089 ( -2.759 3.137 -5.594) 6.981 2.221 ( 0.162 0.082 3.277) 3.282 2.303 ( -0.652 0.237 7.734) 7.765 2.419 ( -3.426 -1.769 0.331) 3.870 2.452 ( 1.254 -5.694 -0.720) 5.875 2.604 ( -0.480 8.191 -1.016) 8.268 2.779 ( 0.696 -0.864 -0.537) 1.232 2.893 ( 4.764 10.518 9.118) 14.713 3.040 ( 3.417 -0.719 -6.176) 7.095 3.181 ( -3.195 3.705 5.463) 7.333 3.241 ( -1.508 -1.108 3.364) 3.849 3.375 ( 2.416 2.458 -2.880) 4.491 3.521 ( 0.760 -2.320 -2.113) 3.229 3.618 ( -1.401 -1.361 -1.849) 2.690 3.677 ( -0.772 1.034 3.750) 3.965 3.886 ( -2.337 -1.488 3.299) 4.308 4.029 ( -3.223 0.874 -1.746) 3.768 4.139 ( -4.215 -3.771 -1.151) 5.771 4.395 ( -6.709 0.311 -4.658) 8.174 4.546 ( 4.347 0.809 -6.501) 7.862 4.600 ( 1.948 -6.170 -0.977) 6.544 4.779 ( -2.058 4.414 -2.479) 5.465 4.841 ( 2.400 -6.656 7.119) 10.037 11.120 ( 0.893 0.309 1.060) 1.420 11.268 ( -0.018 -0.009 -1.118) 1.118 11.348 ( 0.249 -0.123 0.609) 0.670 11.446 ( -0.354 -0.045 -0.549) 0.655 14.622 ( 0.588 -0.231 0.383) 0.738 14.840 ( -2.073 0.680 0.107) 2.184 33.290 ( 5.873 2.186 1.086) 6.360 34.233 ( -6.636 2.816 -0.090) 7.210 ======================= Grid point 210 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 6.892 3.416 -4.393) 8.858 1.343 ( 8.133 1.147 11.546) 14.169 1.657 ( -1.950 4.343 2.545) 5.398 1.715 ( 12.558 -2.089 0.312) 12.734 1.892 ( 2.569 6.603 -0.977) 7.153 1.976 ( -1.057 -0.691 -11.274) 11.344 2.202 ( -1.977 2.653 -1.634) 3.690 2.357 ( 3.130 -1.148 3.951) 5.170 2.490 ( 3.976 -5.163 0.842) 6.571 2.516 ( -0.064 1.647 3.270) 3.662 2.581 ( 0.478 -6.909 1.456) 7.077 2.773 ( 2.394 5.599 2.849) 6.722 2.877 ( 3.182 4.806 9.406) 11.031 3.063 ( -2.237 -2.273 -2.851) 4.277 3.152 ( 0.678 2.766 5.106) 5.847 3.218 ( -2.682 -1.269 -0.428) 2.998 3.361 ( 0.339 2.331 2.429) 3.383 3.497 ( -3.724 0.095 -5.089) 6.307 3.609 ( -0.521 0.234 -1.464) 1.571 3.687 ( -0.342 0.665 0.720) 1.038 3.917 ( -5.568 1.594 -6.037) 8.366 3.953 ( -5.010 1.418 -6.699) 8.485 4.017 ( 0.478 -2.188 -3.458) 4.120 4.266 ( -6.272 -0.612 2.440) 6.758 4.513 ( 0.312 1.104 -4.224) 4.377 4.679 ( -2.597 -4.504 -3.575) 6.310 4.800 ( 11.937 0.621 -4.910) 12.923 5.054 ( 0.757 -8.434 15.366) 17.545 11.134 ( 1.197 0.624 1.616) 2.106 11.251 ( -0.833 0.610 -1.819) 2.092 11.365 ( 0.758 -0.511 1.444) 1.709 11.436 ( -0.548 -0.103 -1.001) 1.145 14.641 ( 1.320 -0.143 0.584) 1.450 14.795 ( -3.420 0.350 -0.137) 3.440 33.334 ( 8.027 4.589 -0.180) 9.248 34.076 ( -11.971 0.917 -2.270) 12.219 ======================= Grid point 211 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 11.684 0.087 -8.734) 14.588 1.427 ( -5.399 -0.802 13.147) 14.236 1.508 ( -1.696 11.928 12.414) 17.299 1.714 ( -3.983 6.620 -15.024) 16.894 1.917 ( 9.384 -1.728 2.929) 9.981 2.047 ( 2.959 -4.223 -1.843) 5.475 2.194 ( 5.727 -2.356 -3.501) 7.114 2.394 ( -3.569 -1.402 -0.717) 3.901 2.544 ( 5.844 -0.178 4.859) 7.602 2.636 ( 5.803 -1.173 5.359) 7.986 2.675 ( 1.056 -2.969 -0.107) 3.153 2.759 ( 7.474 10.297 11.789) 17.346 2.896 ( -2.108 0.631 0.459) 2.248 3.008 ( -10.212 -2.672 1.984) 10.741 3.079 ( -4.235 1.803 -1.806) 4.944 3.215 ( -6.551 6.477 -6.925) 11.525 3.304 ( 1.267 0.677 -4.105) 4.349 3.403 ( -4.045 -2.467 -2.656) 5.431 3.565 ( 3.422 4.522 1.104) 5.778 3.673 ( -1.690 0.547 -0.574) 1.867 3.740 ( -2.710 -0.060 -3.704) 4.590 3.832 ( -6.519 -0.525 -4.237) 7.792 4.171 ( 3.647 -3.606 1.188) 5.264 4.256 ( -0.046 -2.024 -2.139) 2.946 4.513 ( 3.393 -1.086 1.842) 4.011 4.673 ( -5.085 -3.799 -0.511) 6.368 4.958 ( 18.213 0.066 -11.615) 21.601 5.199 ( -7.866 -6.233 16.016) 18.901 11.150 ( 1.427 0.892 1.935) 2.564 11.213 ( -1.438 1.036 -2.124) 2.766 11.393 ( 0.735 -0.698 2.011) 2.252 11.426 ( -0.403 -0.289 -1.450) 1.532 14.664 ( 1.731 0.136 0.581) 1.831 14.741 ( -3.685 0.224 -0.262) 3.701 33.401 ( 13.231 4.351 -0.795) 13.951 33.860 ( -17.339 0.047 -3.125) 17.619 ======================= Grid point 212 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 11.380 1.168 -10.425) 15.477 1.351 ( -11.380 1.168 10.425) 15.477 1.502 ( -4.311 2.952 -15.165) 16.040 1.502 ( 4.311 2.952 15.165) 16.040 2.068 ( -6.079 -3.208 -5.352) 8.712 2.068 ( 6.079 -3.208 5.352) 8.711 2.337 ( -1.672 -3.185 0.213) 3.604 2.337 ( 1.672 -3.185 -0.213) 3.604 2.676 ( -7.154 1.243 -5.411) 9.056 2.676 ( 7.154 1.243 5.411) 9.056 2.728 ( -4.866 1.406 -0.664) 5.109 2.728 ( 4.866 1.406 0.664) 5.109 2.771 ( -7.280 13.174 -22.527) 27.093 2.771 ( 7.280 13.174 22.527) 27.093 3.064 ( 0.936 -3.367 -3.330) 4.827 3.064 ( -0.936 -3.367 3.330) 4.827 3.391 ( -3.395 -3.382 -2.323) 5.325 3.391 ( 3.395 -3.382 2.323) 5.325 3.595 ( -1.864 1.573 -5.535) 6.048 3.595 ( 1.864 1.573 5.535) 6.048 3.774 ( -3.094 -2.017 -1.700) 4.066 3.774 ( 3.094 -2.017 1.700) 4.066 4.218 ( -0.913 2.119 -7.328) 7.682 4.218 ( 0.913 2.119 7.328) 7.682 4.648 ( -3.422 -3.719 -1.613) 5.305 4.648 ( 3.422 -3.719 1.613) 5.305 5.162 ( 18.714 -2.398 -14.385) 23.726 5.162 ( -18.714 -2.398 14.385) 23.726 11.167 ( -1.594 0.991 -1.855) 2.639 11.167 ( 1.594 0.991 1.855) 2.639 11.419 ( -0.194 -0.500 -2.041) 2.111 11.419 ( 0.194 -0.500 2.041) 2.111 14.692 ( -2.716 0.217 -0.362) 2.749 14.692 ( 2.716 0.217 0.362) 2.749 33.586 ( -19.941 0.877 -1.742) 20.036 33.586 ( 19.941 0.877 1.742) 20.036 ======================= Grid point 216 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.342 -0.000 -17.746) 17.750 1.202 ( 9.305 -0.000 -12.172) 15.321 1.276 ( 11.949 -0.000 2.144) 12.140 1.368 ( 15.500 -0.000 -11.406) 19.245 1.737 ( -8.566 0.000 0.455) 8.578 2.121 ( 4.626 -0.000 9.479) 10.548 2.284 ( -7.386 0.000 5.785) 9.382 2.371 ( -1.319 0.000 0.253) 1.343 2.456 ( -6.001 0.000 -0.322) 6.009 2.600 ( -4.892 0.000 0.933) 4.980 2.748 ( -1.285 0.000 -2.056) 2.425 2.944 ( 6.786 -0.000 10.893) 12.834 2.961 ( 1.518 -0.000 -1.122) 1.888 2.992 ( 4.970 -0.000 -0.353) 4.982 3.191 ( 4.737 -0.000 2.181) 5.215 3.377 ( -4.757 0.000 8.627) 9.852 3.436 ( -1.788 0.000 -1.903) 2.612 3.444 ( 1.704 -0.000 -8.978) 9.138 3.508 ( -4.754 0.000 0.797) 4.821 3.671 ( 7.182 -0.000 8.211) 10.909 3.914 ( 7.305 -0.000 1.448) 7.447 3.936 ( -6.796 0.000 2.733) 7.325 4.101 ( -1.478 0.000 -1.026) 1.799 4.304 ( -4.026 0.000 4.210) 5.826 4.391 ( 5.194 -0.000 2.195) 5.639 4.532 ( -0.764 0.000 -1.781) 1.938 4.691 ( -1.495 0.000 -6.938) 7.097 5.117 ( -8.463 0.000 -12.348) 14.970 11.109 ( 0.721 -0.000 0.600) 0.938 11.254 ( 1.224 -0.000 -0.548) 1.341 11.353 ( -0.622 0.000 -0.547) 0.829 11.448 ( 0.043 -0.000 -0.070) 0.082 14.614 ( -0.538 0.000 0.107) 0.549 14.881 ( -0.177 0.000 0.886) 0.904 33.218 ( 6.267 -0.000 2.868) 6.892 34.404 ( -3.031 0.000 5.438) 6.226 ======================= Grid point 217 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.858 -4.112 -7.442) 14.591 1.259 ( 8.725 1.551 -7.218) 11.429 1.418 ( 15.812 6.665 -1.821) 17.256 1.632 ( -4.976 -2.428 0.653) 5.575 1.680 ( 18.193 -8.181 -1.930) 20.041 2.204 ( -1.578 1.076 3.622) 4.095 2.230 ( -3.134 -2.378 5.173) 6.499 2.345 ( -0.663 0.816 0.718) 1.273 2.383 ( -1.708 2.046 0.502) 2.712 2.482 ( -5.069 6.845 2.564) 8.895 2.720 ( -2.538 0.033 -2.329) 3.445 2.947 ( 0.430 1.843 -0.282) 1.914 2.998 ( 1.316 0.354 0.853) 1.607 3.113 ( 8.611 3.470 5.257) 10.669 3.214 ( 2.998 5.948 0.563) 6.685 3.294 ( -5.680 3.392 2.998) 7.263 3.416 ( -2.901 -2.663 0.193) 3.943 3.447 ( -1.366 -0.077 1.776) 2.242 3.480 ( 1.195 -5.631 -3.877) 6.941 3.817 ( 1.639 0.016 1.757) 2.403 3.868 ( -4.899 0.740 6.429) 8.117 3.967 ( 2.126 -1.274 1.020) 2.680 4.113 ( 0.867 2.234 -2.288) 3.314 4.275 ( -2.921 -4.398 2.098) 5.681 4.483 ( 2.201 -1.160 -1.658) 2.990 4.535 ( 0.890 -3.080 -0.690) 3.279 4.662 ( -1.735 -4.185 -1.945) 4.930 4.915 ( -8.090 3.252 -10.281) 13.481 11.126 ( 1.196 0.135 1.297) 1.770 11.263 ( 0.586 -0.188 -1.263) 1.405 11.347 ( -0.051 0.033 0.366) 0.371 11.445 ( -0.379 -0.029 -0.572) 0.687 14.616 ( 0.440 -0.150 0.440) 0.640 14.861 ( -2.335 0.573 0.369) 2.432 33.334 ( 8.991 0.812 2.901) 9.483 34.329 ( -7.360 2.609 1.510) 7.953 ======================= Grid point 218 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 3.032 1.973 -4.727) 5.952 1.413 ( 2.728 5.139 -2.071) 6.176 1.514 ( 16.750 -4.754 3.958) 17.856 1.736 ( 12.196 -2.319 -0.214) 12.416 2.004 ( 11.335 -4.394 0.391) 12.163 2.112 ( -2.887 7.294 -1.626) 8.012 2.236 ( -0.624 -2.190 1.193) 2.571 2.348 ( 0.068 -0.447 0.382) 0.592 2.362 ( -2.418 1.534 -0.444) 2.898 2.414 ( 3.685 -0.400 7.342) 8.224 2.625 ( -4.622 3.610 -1.763) 6.124 2.911 ( 2.040 9.148 3.373) 9.961 2.991 ( 0.832 -0.859 -1.442) 1.873 3.137 ( -2.911 1.530 1.336) 3.549 3.178 ( 1.282 2.676 1.562) 3.353 3.244 ( -0.218 1.307 4.257) 4.458 3.383 ( -3.067 -0.600 0.235) 3.134 3.483 ( 2.653 0.244 -1.249) 2.943 3.580 ( 3.804 -4.911 -2.681) 6.766 3.766 ( 0.145 5.833 3.241) 6.675 3.850 ( -2.939 -0.542 5.772) 6.499 3.997 ( -5.637 -4.606 -1.426) 7.418 4.023 ( -1.318 5.266 -3.003) 6.204 4.246 ( -9.994 -1.288 -6.431) 11.954 4.517 ( -1.746 -2.567 -1.204) 3.330 4.555 ( 1.925 -1.668 -7.516) 7.936 4.770 ( 3.231 -4.255 -4.810) 7.189 4.813 ( -0.192 -5.962 9.038) 10.829 11.149 ( 1.451 0.387 1.899) 2.421 11.259 ( -0.254 0.045 -1.944) 1.961 11.355 ( 0.558 -0.163 1.131) 1.272 11.433 ( -0.737 -0.086 -1.063) 1.296 14.635 ( 1.536 -0.224 0.646) 1.682 14.812 ( -3.501 0.712 -0.075) 3.574 33.450 ( 10.299 3.208 2.393) 11.049 34.161 ( -10.783 3.904 -1.036) 11.515 ======================= Grid point 219 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 5.569 1.949 -4.637) 7.504 1.383 ( -4.046 -1.140 2.217) 4.752 1.779 ( 9.158 -0.469 5.914) 10.912 1.860 ( 2.931 5.522 1.842) 6.517 1.984 ( 4.722 3.275 -6.303) 8.529 2.049 ( 1.616 6.706 1.384) 7.035 2.230 ( 2.865 4.740 -4.172) 6.934 2.358 ( -3.029 -1.066 1.403) 3.505 2.466 ( 4.062 -7.734 2.110) 8.987 2.489 ( 1.340 -4.087 2.483) 4.967 2.591 ( 6.797 -0.392 2.512) 7.256 2.849 ( 3.885 4.171 0.482) 5.720 2.960 ( -6.445 0.892 -0.684) 6.542 3.070 ( -13.627 -3.026 -1.875) 14.084 3.162 ( 5.232 4.142 8.164) 10.545 3.260 ( 6.485 5.513 5.009) 9.876 3.357 ( -2.768 -0.388 -0.316) 2.813 3.462 ( -0.996 3.723 -4.839) 6.186 3.649 ( 3.114 0.445 0.774) 3.239 3.700 ( -2.912 2.994 3.402) 5.387 3.859 ( -5.721 6.741 -5.052) 10.183 3.891 ( -3.599 4.915 -7.485) 9.651 3.961 ( 4.704 -7.804 -2.448) 9.435 4.137 ( -8.569 -6.669 3.792) 11.501 4.502 ( -0.080 -0.468 -1.667) 1.733 4.559 ( -2.118 -3.303 -5.197) 6.512 4.895 ( 10.535 -4.717 -8.373) 14.260 4.988 ( -3.528 -8.842 13.615) 16.613 11.173 ( 1.542 0.641 2.332) 2.868 11.235 ( -1.047 0.500 -2.431) 2.693 11.377 ( 0.900 -0.416 1.626) 1.905 11.418 ( -0.858 -0.239 -1.449) 1.701 14.666 ( 2.284 -0.004 0.674) 2.382 14.753 ( -3.618 0.567 -0.323) 3.676 33.546 ( 12.140 5.258 1.326) 13.296 33.929 ( -13.859 4.265 -1.748) 14.605 ======================= Grid point 220 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 9.372 -1.348 -7.203) 11.897 1.336 ( -9.372 -1.348 7.203) 11.897 1.744 ( -0.981 10.927 -11.010) 15.543 1.744 ( 0.981 10.927 11.010) 15.543 2.008 ( -4.036 0.440 -3.198) 5.169 2.008 ( 4.036 0.440 3.198) 5.169 2.273 ( -7.275 -0.867 0.672) 7.357 2.273 ( 7.275 -0.867 -0.672) 7.357 2.597 ( -0.015 -5.798 -3.141) 6.594 2.597 ( 0.015 -5.798 3.141) 6.594 2.782 ( -15.440 1.291 -1.373) 15.555 2.782 ( 15.440 1.291 1.373) 15.555 2.927 ( -5.226 -2.492 -4.343) 7.238 2.927 ( 5.226 -2.492 4.343) 7.238 3.208 ( -8.304 12.240 -15.338) 21.308 3.208 ( 8.304 12.240 15.338) 21.308 3.322 ( -4.101 -0.916 -0.361) 4.218 3.322 ( 4.101 -0.916 0.361) 4.218 3.682 ( 0.058 1.848 -3.812) 4.236 3.682 ( -0.058 1.848 3.812) 4.236 3.724 ( -4.400 2.311 -8.183) 9.574 3.724 ( 4.400 2.311 8.183) 9.574 4.163 ( 2.899 -6.628 -6.994) 10.063 4.163 ( -2.899 -6.628 6.994) 10.063 4.544 ( -3.081 -2.673 -3.625) 5.457 4.544 ( 3.081 -2.673 3.625) 5.457 5.061 ( 11.414 -5.156 -14.428) 19.106 5.061 ( -11.414 -5.156 14.428) 19.106 11.195 ( -1.506 0.870 -2.471) 3.022 11.195 ( 1.506 0.870 2.471) 3.022 11.404 ( -0.771 -0.496 -1.763) 1.987 11.404 ( 0.771 -0.496 1.763) 1.987 14.701 ( -2.837 0.351 -0.470) 2.896 14.701 ( 2.837 0.351 0.470) 2.896 33.661 ( -15.314 4.396 -0.973) 15.962 33.661 ( 15.314 4.396 0.973) 15.962 ======================= Grid point 226 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 6.294 -0.000 -4.012) 7.464 1.376 ( 17.029 -0.000 -1.831) 17.128 1.537 ( -5.822 0.000 1.767) 6.084 1.683 ( 13.165 -0.000 -2.564) 13.413 1.902 ( 21.369 -0.000 3.599) 21.670 2.131 ( 0.532 -0.000 -2.084) 2.150 2.245 ( -3.717 0.000 4.361) 5.730 2.342 ( -2.335 0.000 -4.104) 4.722 2.356 ( 0.934 -0.000 1.585) 1.840 2.617 ( 3.245 -0.000 12.014) 12.445 2.622 ( -6.674 0.000 -3.062) 7.343 2.921 ( -4.089 0.000 -1.342) 4.303 2.995 ( 1.059 -0.000 -1.762) 2.056 3.247 ( 3.759 -0.000 -0.038) 3.760 3.286 ( -2.908 0.000 2.700) 3.968 3.326 ( -2.461 0.000 4.182) 4.853 3.392 ( 1.656 -0.000 2.674) 3.145 3.392 ( 0.206 -0.000 3.364) 3.370 3.434 ( 2.241 -0.000 -6.817) 7.176 3.809 ( -1.519 0.000 -0.008) 1.519 3.862 ( -2.267 0.000 5.241) 5.710 4.000 ( -3.469 0.000 -3.517) 4.940 4.097 ( 0.844 -0.000 0.058) 0.846 4.234 ( -0.885 0.000 -3.411) 3.524 4.468 ( -4.213 0.000 6.848) 8.040 4.532 ( 4.220 -0.000 -6.200) 7.501 4.590 ( -1.315 0.000 1.315) 1.860 4.792 ( -5.607 0.000 -8.103) 9.854 11.155 ( 1.526 -0.000 1.957) 2.482 11.259 ( 0.027 -0.000 -1.940) 1.940 11.353 ( 0.449 -0.000 1.040) 1.132 11.432 ( -0.792 0.000 -1.071) 1.332 14.631 ( 1.630 -0.000 0.677) 1.765 14.824 ( -3.763 0.000 -0.054) 3.764 33.498 ( 11.490 -0.000 3.567) 12.031 34.227 ( -10.613 0.000 -0.993) 10.660 ======================= Grid point 227 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.340 4.108 -1.282) 5.448 1.431 ( -3.895 3.126 -1.411) 5.190 1.675 ( 14.090 -5.417 4.191) 15.666 1.823 ( 5.675 -4.346 -2.707) 7.643 2.114 ( 4.063 1.775 3.660) 5.749 2.166 ( -2.084 5.762 0.387) 6.139 2.248 ( 9.173 -5.196 -1.466) 10.644 2.314 ( 0.014 -2.485 -4.364) 5.022 2.393 ( 7.240 2.424 2.972) 8.193 2.496 ( -4.962 2.532 -1.406) 5.745 2.642 ( -1.825 3.639 7.964) 8.944 2.874 ( -9.009 -4.521 -2.289) 10.337 3.041 ( 5.549 1.310 2.269) 6.136 3.174 ( -2.450 9.021 0.551) 9.364 3.198 ( -1.538 7.503 4.673) 8.972 3.324 ( -1.046 -1.407 -3.984) 4.353 3.373 ( 4.592 0.059 -0.578) 4.628 3.492 ( -0.655 -3.697 3.538) 5.159 3.545 ( 7.072 -6.304 -3.904) 10.247 3.799 ( -2.278 -3.620 1.374) 4.493 3.827 ( -5.415 2.760 0.118) 6.078 3.887 ( -5.975 -1.322 0.607) 6.150 4.088 ( -0.304 4.854 -1.359) 5.050 4.138 ( -2.378 7.595 -3.484) 8.688 4.470 ( -2.158 -1.249 5.314) 5.870 4.512 ( 0.248 -0.240 -8.433) 8.440 4.700 ( 2.748 -8.755 0.885) 9.219 4.746 ( -1.342 -5.166 0.109) 5.339 11.185 ( 1.530 0.221 2.395) 2.850 11.243 ( -0.709 0.091 -2.408) 2.512 11.370 ( 0.890 -0.105 1.493) 1.741 11.414 ( -1.037 -0.077 -1.451) 1.785 14.665 ( 2.746 -0.047 0.753) 2.848 14.767 ( -4.053 0.295 -0.425) 4.086 33.663 ( 12.610 2.388 3.458) 13.292 34.042 ( -12.573 2.658 -2.532) 13.098 ======================= Grid point 228 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.231 2.261 -2.461) 3.350 1.339 ( -0.231 2.261 2.461) 3.350 1.882 ( -4.581 -1.954 -1.916) 5.336 1.882 ( 4.581 -1.954 1.916) 5.336 2.082 ( -1.818 2.989 -0.973) 3.632 2.082 ( 1.818 2.989 0.973) 3.632 2.330 ( 3.389 2.370 -3.085) 5.159 2.330 ( -3.389 2.370 3.085) 5.159 2.452 ( -2.644 -1.626 -0.416) 3.131 2.452 ( 2.644 -1.626 0.416) 3.131 2.742 ( -12.937 -2.825 -5.593) 14.374 2.742 ( 12.937 -2.825 5.593) 14.374 3.001 ( 2.391 8.210 -3.187) 9.126 3.001 ( -2.391 8.210 3.187) 9.125 3.261 ( -5.760 -1.810 -5.400) 8.100 3.261 ( 5.760 -1.810 5.400) 8.100 3.451 ( -1.771 2.354 -4.527) 5.401 3.451 ( 1.771 2.354 4.527) 5.401 3.701 ( 0.667 0.766 -4.049) 4.174 3.701 ( -0.667 0.766 4.049) 4.174 3.897 ( 2.102 -6.165 -4.994) 8.207 3.897 ( -2.102 -6.165 4.994) 8.207 3.966 ( 1.212 8.012 -6.203) 10.205 3.966 ( -1.212 8.013 6.203) 10.205 4.492 ( 0.606 -1.263 -4.826) 5.025 4.492 ( -0.606 -1.263 4.826) 5.025 4.856 ( 5.591 -8.927 -10.218) 14.675 4.856 ( -5.591 -8.927 10.218) 14.675 11.213 ( -1.325 0.387 -2.586) 2.931 11.213 ( 1.325 0.387 2.586) 2.931 11.394 ( -1.042 -0.231 -1.634) 1.952 11.394 ( 1.042 -0.231 1.634) 1.952 14.709 ( -3.401 0.226 -0.623) 3.465 14.709 ( 3.401 0.226 0.623) 3.465 33.801 ( -13.278 4.560 -2.617) 14.281 33.801 ( 13.278 4.560 2.617) 14.281 ======================= Grid point 237 (114/114) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -1.506 0.000 -0.882) 1.745 1.413 ( 1.506 -0.000 0.882) 1.745 1.780 ( -3.327 0.000 -5.352) 6.302 1.780 ( 3.327 -0.000 5.352) 6.302 2.200 ( -2.519 0.000 -6.169) 6.663 2.200 ( 2.519 -0.000 6.169) 6.663 2.258 ( -0.938 0.000 -2.138) 2.335 2.258 ( 0.938 -0.000 2.138) 2.335 2.482 ( 3.510 -0.000 -3.225) 4.767 2.482 ( -3.510 0.000 3.225) 4.767 2.708 ( -5.945 0.000 -7.415) 9.504 2.708 ( 5.945 -0.000 7.415) 9.504 3.186 ( -7.728 0.000 -5.100) 9.259 3.186 ( 7.728 -0.000 5.100) 9.259 3.299 ( 3.647 -0.000 -5.601) 6.684 3.299 ( -3.647 0.000 5.601) 6.684 3.388 ( 0.651 -0.000 -2.029) 2.131 3.388 ( -0.651 0.000 2.029) 2.131 3.638 ( -13.739 0.000 2.762) 14.014 3.638 ( 13.739 -0.000 -2.762) 14.014 3.825 ( 1.188 -0.000 -0.545) 1.307 3.825 ( -1.188 0.000 0.545) 1.307 4.170 ( -0.542 0.000 -7.367) 7.387 4.170 ( 0.542 -0.000 7.367) 7.387 4.479 ( 1.179 -0.000 -7.936) 8.023 4.479 ( -1.179 0.000 7.936) 8.023 4.665 ( -1.837 0.000 -2.734) 3.293 4.665 ( 1.837 -0.000 2.734) 3.293 11.218 ( -1.212 0.000 -2.552) 2.825 11.218 ( 1.212 -0.000 2.552) 2.825 11.391 ( -1.095 0.000 -1.611) 1.947 11.391 ( 1.095 -0.000 1.611) 1.947 14.713 ( -3.736 0.000 -0.685) 3.799 14.713 ( 3.736 -0.000 0.685) 3.799 33.873 ( -13.141 0.000 -3.561) 13.615 33.873 ( 13.141 -0.000 3.561) 13.615 =================== 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 3/13824 10.0 36.253 81.594 124.000 -0.000 6.181 -0.000 3/13824 20.0 10.933 16.176 26.064 -0.000 3.038 -0.000 3/13824 30.0 5.369 6.766 10.819 -0.000 1.491 -0.000 3/13824 40.0 3.463 4.048 6.441 -0.000 0.938 -0.000 3/13824 50.0 2.571 2.886 4.580 -0.000 0.679 -0.000 3/13824 60.0 2.063 2.260 3.580 -0.000 0.531 -0.000 3/13824 70.0 1.734 1.868 2.957 -0.000 0.436 -0.000 3/13824 80.0 1.502 1.599 2.529 -0.000 0.370 -0.000 3/13824 90.0 1.327 1.401 2.216 -0.000 0.321 -0.000 3/13824 100.0 1.191 1.249 1.975 -0.000 0.284 -0.000 3/13824 110.0 1.081 1.128 1.783 -0.000 0.254 -0.000 3/13824 120.0 0.991 1.029 1.627 -0.000 0.231 -0.000 3/13824 130.0 0.914 0.946 1.496 -0.000 0.211 -0.000 3/13824 140.0 0.849 0.876 1.386 -0.000 0.194 -0.000 3/13824 150.0 0.793 0.816 1.291 -0.000 0.180 -0.000 3/13824 160.0 0.744 0.764 1.208 -0.000 0.168 -0.000 3/13824 170.0 0.700 0.718 1.136 -0.000 0.158 -0.000 3/13824 180.0 0.662 0.677 1.072 -0.000 0.148 -0.000 3/13824 190.0 0.627 0.641 1.014 -0.000 0.140 -0.000 3/13824 200.0 0.596 0.609 0.963 -0.000 0.133 -0.000 3/13824 210.0 0.568 0.579 0.917 -0.000 0.126 -0.000 3/13824 220.0 0.543 0.553 0.875 -0.000 0.120 -0.000 3/13824 230.0 0.520 0.529 0.837 -0.000 0.115 -0.000 3/13824 240.0 0.498 0.506 0.802 -0.000 0.110 -0.000 3/13824 250.0 0.479 0.486 0.770 -0.000 0.105 -0.000 3/13824 260.0 0.461 0.467 0.740 -0.000 0.101 -0.000 3/13824 270.0 0.444 0.450 0.713 -0.000 0.097 -0.000 3/13824 280.0 0.428 0.434 0.687 -0.000 0.094 -0.000 3/13824 290.0 0.414 0.419 0.664 -0.000 0.090 -0.000 3/13824 300.0 0.400 0.405 0.642 -0.000 0.087 -0.000 3/13824 310.0 0.388 0.392 0.621 -0.000 0.084 -0.000 3/13824 320.0 0.376 0.379 0.602 -0.000 0.082 -0.000 3/13824 330.0 0.365 0.368 0.584 -0.000 0.079 -0.000 3/13824 340.0 0.354 0.357 0.567 -0.000 0.077 -0.000 3/13824 350.0 0.345 0.347 0.551 -0.000 0.074 -0.000 3/13824 360.0 0.335 0.337 0.535 -0.000 0.072 -0.000 3/13824 370.0 0.327 0.328 0.521 -0.000 0.070 -0.000 3/13824 380.0 0.318 0.320 0.508 -0.000 0.068 -0.000 3/13824 390.0 0.310 0.311 0.495 -0.000 0.067 -0.000 3/13824 400.0 0.303 0.304 0.483 -0.000 0.065 -0.000 3/13824 410.0 0.296 0.296 0.471 -0.000 0.063 -0.000 3/13824 420.0 0.289 0.289 0.460 -0.000 0.062 -0.000 3/13824 430.0 0.283 0.283 0.449 -0.000 0.060 -0.000 3/13824 440.0 0.276 0.276 0.439 -0.000 0.059 -0.000 3/13824 450.0 0.271 0.270 0.430 -0.000 0.058 -0.000 3/13824 460.0 0.265 0.264 0.421 -0.000 0.056 -0.000 3/13824 470.0 0.260 0.259 0.412 -0.000 0.055 -0.000 3/13824 480.0 0.254 0.253 0.403 -0.000 0.054 -0.000 3/13824 490.0 0.250 0.248 0.395 -0.000 0.053 -0.000 3/13824 500.0 0.245 0.243 0.388 -0.000 0.052 -0.000 3/13824 510.0 0.240 0.239 0.380 -0.000 0.051 -0.000 3/13824 520.0 0.236 0.234 0.373 -0.000 0.050 -0.000 3/13824 530.0 0.232 0.230 0.366 -0.000 0.049 -0.000 3/13824 540.0 0.228 0.225 0.360 -0.000 0.048 -0.000 3/13824 550.0 0.224 0.221 0.353 -0.000 0.047 -0.000 3/13824 560.0 0.220 0.218 0.347 -0.000 0.046 -0.000 3/13824 570.0 0.216 0.214 0.341 -0.000 0.045 -0.000 3/13824 580.0 0.213 0.210 0.335 -0.000 0.044 -0.000 3/13824 590.0 0.209 0.207 0.330 -0.000 0.044 -0.000 3/13824 600.0 0.206 0.203 0.325 -0.000 0.043 -0.000 3/13824 610.0 0.203 0.200 0.319 -0.000 0.042 -0.000 3/13824 620.0 0.200 0.197 0.314 -0.000 0.041 -0.000 3/13824 630.0 0.197 0.194 0.310 -0.000 0.041 -0.000 3/13824 640.0 0.194 0.191 0.305 -0.000 0.040 -0.000 3/13824 650.0 0.191 0.188 0.300 -0.000 0.040 -0.000 3/13824 660.0 0.188 0.185 0.296 -0.000 0.039 -0.000 3/13824 670.0 0.186 0.182 0.292 -0.000 0.038 -0.000 3/13824 680.0 0.183 0.180 0.287 -0.000 0.038 -0.000 3/13824 690.0 0.181 0.177 0.283 -0.000 0.037 -0.000 3/13824 700.0 0.178 0.174 0.280 -0.000 0.037 -0.000 3/13824 710.0 0.176 0.172 0.276 -0.000 0.036 -0.000 3/13824 720.0 0.174 0.170 0.272 -0.000 0.036 -0.000 3/13824 730.0 0.172 0.167 0.268 -0.000 0.035 -0.000 3/13824 740.0 0.169 0.165 0.265 -0.000 0.035 -0.000 3/13824 750.0 0.167 0.163 0.261 -0.000 0.034 -0.000 3/13824 760.0 0.165 0.161 0.258 -0.000 0.034 -0.000 3/13824 770.0 0.163 0.159 0.255 -0.000 0.033 -0.000 3/13824 780.0 0.161 0.157 0.252 -0.000 0.033 -0.000 3/13824 790.0 0.159 0.155 0.249 -0.000 0.032 -0.000 3/13824 800.0 0.158 0.153 0.246 -0.000 0.032 -0.000 3/13824 810.0 0.156 0.151 0.243 -0.000 0.032 -0.000 3/13824 820.0 0.154 0.149 0.240 -0.000 0.031 -0.000 3/13824 830.0 0.152 0.148 0.237 -0.000 0.031 -0.000 3/13824 840.0 0.151 0.146 0.234 -0.000 0.030 -0.000 3/13824 850.0 0.149 0.144 0.232 -0.000 0.030 -0.000 3/13824 860.0 0.147 0.142 0.229 -0.000 0.030 -0.000 3/13824 870.0 0.146 0.141 0.227 -0.000 0.029 -0.000 3/13824 880.0 0.144 0.139 0.224 -0.000 0.029 -0.000 3/13824 890.0 0.143 0.138 0.222 -0.000 0.029 -0.000 3/13824 900.0 0.141 0.136 0.219 -0.000 0.028 -0.000 3/13824 910.0 0.140 0.135 0.217 -0.000 0.028 -0.000 3/13824 920.0 0.139 0.133 0.215 -0.000 0.028 -0.000 3/13824 930.0 0.137 0.132 0.213 -0.000 0.027 -0.000 3/13824 940.0 0.136 0.131 0.210 -0.000 0.027 -0.000 3/13824 950.0 0.134 0.129 0.208 -0.000 0.027 -0.000 3/13824 960.0 0.133 0.128 0.206 -0.000 0.026 -0.000 3/13824 970.0 0.132 0.127 0.204 -0.000 0.026 -0.000 3/13824 980.0 0.131 0.125 0.202 -0.000 0.026 -0.000 3/13824 990.0 0.130 0.124 0.200 -0.000 0.026 -0.000 3/13824 1000.0 0.128 0.123 0.198 -0.000 0.025 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:26:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|