----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:49:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.660931105000000 7.076937425000001 b 4.292519104999999 0.000000000000000 7.076937425000001 c 4.292519104999999 4.660931105000000 0.000000000000000 Atomic positions (fractional): *1 P 0.29364842218973 0.85887714094552 0.70635157781027 30.974 2 P 0.14112285905448 0.70635157781027 0.85887714094552 30.974 3 P 0.70635157781027 0.14112285905448 0.29364842218973 30.974 4 P 0.85887714094552 0.29364842218973 0.14112285905448 30.974 *5 P 0.15347579071354 0.15347579071354 0.84652420928646 30.974 6 P 0.84652420928646 0.84652420928646 0.15347579071354 30.974 *7 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 8 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 *9 K 0.72847264154680 0.27152735845320 0.72847264154680 39.098 10 K 0.27152735845320 0.72847264154680 0.27152735845320 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.585038209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.321862210000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.153874850000003 Atomic positions (fractional): *1 P 0.78261435937789 0.00000000000000 0.07626278156763 30.974 > 1 2 P 0.28261435937789 0.00000000000000 0.42373721843237 30.974 > 2 3 P 0.71738564062211 0.00000000000000 0.42373721843237 30.974 > 3 4 P 0.21738564062211 0.00000000000000 0.07626278156763 30.974 > 4 *5 P 0.00000000000000 0.00000000000000 0.15347579071354 30.974 > 5 6 P 0.50000000000000 0.00000000000000 0.34652420928646 30.974 > 6 7 P 0.78261435937789 0.50000000000000 0.57626278156763 30.974 > 1 8 P 0.28261435937789 0.50000000000000 0.92373721843237 30.974 > 2 9 P 0.71738564062211 0.50000000000000 0.92373721843237 30.974 > 3 10 P 0.21738564062211 0.50000000000000 0.57626278156763 30.974 > 4 11 P 0.00000000000000 0.50000000000000 0.65347579071354 30.974 > 5 12 P 0.50000000000000 0.50000000000000 0.84652420928646 30.974 > 6 13 P 0.28261435937789 0.00000000000000 0.57626278156763 30.974 > 1 14 P 0.78261435937789 0.00000000000000 0.92373721843237 30.974 > 2 15 P 0.21738564062211 0.00000000000000 0.92373721843237 30.974 > 3 16 P 0.71738564062211 0.00000000000000 0.57626278156763 30.974 > 4 17 P 0.50000000000000 0.00000000000000 0.65347579071354 30.974 > 5 18 P 0.00000000000000 0.00000000000000 0.84652420928646 30.974 > 6 19 P 0.28261435937789 0.50000000000000 0.07626278156763 30.974 > 1 20 P 0.78261435937789 0.50000000000000 0.42373721843237 30.974 > 2 21 P 0.21738564062211 0.50000000000000 0.42373721843237 30.974 > 3 22 P 0.71738564062211 0.50000000000000 0.07626278156763 30.974 > 4 23 P 0.50000000000000 0.50000000000000 0.15347579071354 30.974 > 5 24 P 0.00000000000000 0.50000000000000 0.34652420928646 30.974 > 6 *25 K 0.75000000000000 0.25000000000000 0.25000000000000 39.098 > 7 26 K 0.75000000000000 0.75000000000000 0.25000000000000 39.098 > 8 *27 K 0.50000000000000 0.22847264154680 0.00000000000000 39.098 > 9 28 K 0.50000000000000 0.77152735845320 0.00000000000000 39.098 > 10 29 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 > 7 30 K 0.75000000000000 0.25000000000000 0.75000000000000 39.098 > 8 31 K 0.50000000000000 0.72847264154680 0.50000000000000 39.098 > 9 32 K 0.50000000000000 0.27152735845320 0.50000000000000 39.098 > 10 33 K 0.25000000000000 0.25000000000000 0.75000000000000 39.098 > 7 34 K 0.25000000000000 0.75000000000000 0.75000000000000 39.098 > 8 35 K 0.00000000000000 0.22847264154680 0.50000000000000 39.098 > 9 36 K 0.00000000000000 0.77152735845320 0.50000000000000 39.098 > 10 37 K 0.25000000000000 0.75000000000000 0.25000000000000 39.098 > 7 38 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 > 8 39 K 0.00000000000000 0.72847264154680 0.00000000000000 39.098 > 9 40 K 0.00000000000000 0.27152735845320 0.00000000000000 39.098 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.170076419999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.321862210000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.153874850000003 Atomic positions (fractional): *1 P 0.39130717968895 0.00000000000000 0.07626278156763 30.974 > 1 2 P 0.89130717968895 0.00000000000000 0.07626278156763 30.974 > 1 3 P 0.14130717968895 0.00000000000000 0.42373721843237 30.974 > 2 4 P 0.64130717968895 0.00000000000000 0.42373721843237 30.974 > 2 5 P 0.35869282031105 0.00000000000000 0.42373721843237 30.974 > 3 6 P 0.85869282031105 0.00000000000000 0.42373721843237 30.974 > 3 7 P 0.10869282031105 0.00000000000000 0.07626278156763 30.974 > 4 8 P 0.60869282031105 0.00000000000000 0.07626278156763 30.974 > 4 *9 P 0.00000000000000 0.00000000000000 0.15347579071354 30.974 > 5 10 P 0.50000000000000 0.00000000000000 0.15347579071354 30.974 > 5 11 P 0.25000000000000 0.00000000000000 0.34652420928646 30.974 > 6 12 P 0.75000000000000 0.00000000000000 0.34652420928646 30.974 > 6 13 P 0.39130717968895 0.50000000000000 0.57626278156763 30.974 > 1 14 P 0.89130717968895 0.50000000000000 0.57626278156763 30.974 > 1 15 P 0.14130717968895 0.50000000000000 0.92373721843237 30.974 > 2 16 P 0.64130717968895 0.50000000000000 0.92373721843237 30.974 > 2 17 P 0.35869282031105 0.50000000000000 0.92373721843237 30.974 > 3 18 P 0.85869282031105 0.50000000000000 0.92373721843237 30.974 > 3 19 P 0.10869282031105 0.50000000000000 0.57626278156763 30.974 > 4 20 P 0.60869282031105 0.50000000000000 0.57626278156763 30.974 > 4 21 P 0.00000000000000 0.50000000000000 0.65347579071354 30.974 > 5 22 P 0.50000000000000 0.50000000000000 0.65347579071354 30.974 > 5 23 P 0.25000000000000 0.50000000000000 0.84652420928646 30.974 > 6 24 P 0.75000000000000 0.50000000000000 0.84652420928646 30.974 > 6 25 P 0.14130717968895 0.00000000000000 0.57626278156763 30.974 > 1 26 P 0.64130717968895 0.00000000000000 0.57626278156763 30.974 > 1 27 P 0.39130717968895 0.00000000000000 0.92373721843237 30.974 > 2 28 P 0.89130717968895 0.00000000000000 0.92373721843237 30.974 > 2 29 P 0.10869282031105 0.00000000000000 0.92373721843237 30.974 > 3 30 P 0.60869282031105 0.00000000000000 0.92373721843237 30.974 > 3 31 P 0.35869282031105 0.00000000000000 0.57626278156763 30.974 > 4 32 P 0.85869282031105 0.00000000000000 0.57626278156763 30.974 > 4 33 P 0.25000000000000 0.00000000000000 0.65347579071354 30.974 > 5 34 P 0.75000000000000 0.00000000000000 0.65347579071354 30.974 > 5 35 P 0.00000000000000 0.00000000000000 0.84652420928646 30.974 > 6 36 P 0.50000000000000 0.00000000000000 0.84652420928646 30.974 > 6 37 P 0.14130717968895 0.50000000000000 0.07626278156763 30.974 > 1 38 P 0.64130717968895 0.50000000000000 0.07626278156763 30.974 > 1 39 P 0.39130717968895 0.50000000000000 0.42373721843237 30.974 > 2 40 P 0.89130717968895 0.50000000000000 0.42373721843237 30.974 > 2 41 P 0.10869282031105 0.50000000000000 0.42373721843237 30.974 > 3 42 P 0.60869282031105 0.50000000000000 0.42373721843237 30.974 > 3 43 P 0.35869282031105 0.50000000000000 0.07626278156763 30.974 > 4 44 P 0.85869282031105 0.50000000000000 0.07626278156763 30.974 > 4 45 P 0.25000000000000 0.50000000000000 0.15347579071354 30.974 > 5 46 P 0.75000000000000 0.50000000000000 0.15347579071354 30.974 > 5 47 P 0.00000000000000 0.50000000000000 0.34652420928646 30.974 > 6 48 P 0.50000000000000 0.50000000000000 0.34652420928646 30.974 > 6 *49 K 0.37500000000000 0.25000000000000 0.25000000000000 39.098 > 7 50 K 0.87500000000000 0.25000000000000 0.25000000000000 39.098 > 7 51 K 0.37500000000000 0.75000000000000 0.25000000000000 39.098 > 8 52 K 0.87500000000000 0.75000000000000 0.25000000000000 39.098 > 8 *53 K 0.25000000000000 0.22847264154680 0.00000000000000 39.098 > 9 54 K 0.75000000000000 0.22847264154680 0.00000000000000 39.098 > 9 55 K 0.25000000000000 0.77152735845320 0.00000000000000 39.098 > 10 56 K 0.75000000000000 0.77152735845320 0.00000000000000 39.098 > 10 57 K 0.37500000000000 0.75000000000000 0.75000000000000 39.098 > 7 58 K 0.87500000000000 0.75000000000000 0.75000000000000 39.098 > 7 59 K 0.37500000000000 0.25000000000000 0.75000000000000 39.098 > 8 60 K 0.87500000000000 0.25000000000000 0.75000000000000 39.098 > 8 61 K 0.25000000000000 0.72847264154680 0.50000000000000 39.098 > 9 62 K 0.75000000000000 0.72847264154680 0.50000000000000 39.098 > 9 63 K 0.25000000000000 0.27152735845320 0.50000000000000 39.098 > 10 64 K 0.75000000000000 0.27152735845320 0.50000000000000 39.098 > 10 65 K 0.12500000000000 0.25000000000000 0.75000000000000 39.098 > 7 66 K 0.62500000000000 0.25000000000000 0.75000000000000 39.098 > 7 67 K 0.12500000000000 0.75000000000000 0.75000000000000 39.098 > 8 68 K 0.62500000000000 0.75000000000000 0.75000000000000 39.098 > 8 69 K 0.00000000000000 0.22847264154680 0.50000000000000 39.098 > 9 70 K 0.50000000000000 0.22847264154680 0.50000000000000 39.098 > 9 71 K 0.00000000000000 0.77152735845320 0.50000000000000 39.098 > 10 72 K 0.50000000000000 0.77152735845320 0.50000000000000 39.098 > 10 73 K 0.12500000000000 0.75000000000000 0.25000000000000 39.098 > 7 74 K 0.62500000000000 0.75000000000000 0.25000000000000 39.098 > 7 75 K 0.12500000000000 0.25000000000000 0.25000000000000 39.098 > 8 76 K 0.62500000000000 0.25000000000000 0.25000000000000 39.098 > 8 77 K 0.00000000000000 0.72847264154680 0.00000000000000 39.098 > 9 78 K 0.50000000000000 0.72847264154680 0.00000000000000 39.098 > 9 79 K 0.00000000000000 0.27152735845320 0.00000000000000 39.098 > 10 80 K 0.50000000000000 0.27152735845320 0.00000000000000 39.098 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7627174 0.0000000 0.0000000 0.0000000 4.1037042 0.0000000 0.0000000 0.0000000 5.4473755 -------------------------- Born effective charges -------------------------- 1 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 2 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 3 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 4 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 5 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 6 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 7 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 8 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 9 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 10 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 5034/5034 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 570 Number of blocks in projector: 570 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: 120 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (570, 556), data: False |-- (56, 56), data: True |-- (64, 64), data: True |-- (110, 106), data: True |-- (110, 106), data: True |-- (110, 106), data: True |-- (120, 118), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.358 Solver_block: 160 / 160 - Time: 0.247 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.637 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 5034/5034 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 570 Number of blocks in projector: 570 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: 120 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 110 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (570, 556), data: False |-- (56, 56), data: True |-- (64, 64), data: True |-- (110, 106), data: True |-- (110, 106), data: True |-- (110, 106), data: True |-- (120, 118), 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 22:49:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:49:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.660931105000000 7.076937425000001 b 4.292519104999999 0.000000000000000 7.076937425000001 c 4.292519104999999 4.660931105000000 0.000000000000000 Atomic positions (fractional): 1 P 0.29364842218973 0.85887714094552 0.70635157781027 30.974 2 P 0.14112285905448 0.70635157781027 0.85887714094552 30.974 3 P 0.70635157781027 0.14112285905448 0.29364842218973 30.974 4 P 0.85887714094552 0.29364842218973 0.14112285905448 30.974 5 P 0.15347579071354 0.15347579071354 0.84652420928646 30.974 6 P 0.84652420928646 0.84652420928646 0.15347579071354 30.974 7 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 8 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 9 K 0.72847264154680 0.27152735845320 0.72847264154680 39.098 10 K 0.27152735845320 0.72847264154680 0.27152735845320 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.170076419999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.321862210000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.153874850000003 Atomic positions (fractional): 1 P 0.39130717968895 0.00000000000000 0.07626278156763 30.974 > 1 2 P 0.89130717968895 0.00000000000000 0.07626278156763 30.974 > 1 3 P 0.14130717968895 0.00000000000000 0.42373721843237 30.974 > 3 4 P 0.64130717968895 0.00000000000000 0.42373721843237 30.974 > 3 5 P 0.35869282031105 0.00000000000000 0.42373721843237 30.974 > 5 6 P 0.85869282031105 0.00000000000000 0.42373721843237 30.974 > 5 7 P 0.10869282031105 0.00000000000000 0.07626278156763 30.974 > 7 8 P 0.60869282031105 0.00000000000000 0.07626278156763 30.974 > 7 9 P 0.00000000000000 0.00000000000000 0.15347579071354 30.974 > 9 10 P 0.50000000000000 0.00000000000000 0.15347579071354 30.974 > 9 11 P 0.25000000000000 0.00000000000000 0.34652420928646 30.974 > 11 12 P 0.75000000000000 0.00000000000000 0.34652420928646 30.974 > 11 13 P 0.39130717968895 0.50000000000000 0.57626278156763 30.974 > 1 14 P 0.89130717968895 0.50000000000000 0.57626278156763 30.974 > 1 15 P 0.14130717968895 0.50000000000000 0.92373721843237 30.974 > 3 16 P 0.64130717968895 0.50000000000000 0.92373721843237 30.974 > 3 17 P 0.35869282031105 0.50000000000000 0.92373721843237 30.974 > 5 18 P 0.85869282031105 0.50000000000000 0.92373721843237 30.974 > 5 19 P 0.10869282031105 0.50000000000000 0.57626278156763 30.974 > 7 20 P 0.60869282031105 0.50000000000000 0.57626278156763 30.974 > 7 21 P 0.00000000000000 0.50000000000000 0.65347579071354 30.974 > 9 22 P 0.50000000000000 0.50000000000000 0.65347579071354 30.974 > 9 23 P 0.25000000000000 0.50000000000000 0.84652420928646 30.974 > 11 24 P 0.75000000000000 0.50000000000000 0.84652420928646 30.974 > 11 25 P 0.14130717968895 0.00000000000000 0.57626278156763 30.974 > 1 26 P 0.64130717968895 0.00000000000000 0.57626278156763 30.974 > 1 27 P 0.39130717968895 0.00000000000000 0.92373721843237 30.974 > 3 28 P 0.89130717968895 0.00000000000000 0.92373721843237 30.974 > 3 29 P 0.10869282031105 0.00000000000000 0.92373721843237 30.974 > 5 30 P 0.60869282031105 0.00000000000000 0.92373721843237 30.974 > 5 31 P 0.35869282031105 0.00000000000000 0.57626278156763 30.974 > 7 32 P 0.85869282031105 0.00000000000000 0.57626278156763 30.974 > 7 33 P 0.25000000000000 0.00000000000000 0.65347579071354 30.974 > 9 34 P 0.75000000000000 0.00000000000000 0.65347579071354 30.974 > 9 35 P 0.00000000000000 0.00000000000000 0.84652420928646 30.974 > 11 36 P 0.50000000000000 0.00000000000000 0.84652420928646 30.974 > 11 37 P 0.14130717968895 0.50000000000000 0.07626278156763 30.974 > 1 38 P 0.64130717968895 0.50000000000000 0.07626278156763 30.974 > 1 39 P 0.39130717968895 0.50000000000000 0.42373721843237 30.974 > 3 40 P 0.89130717968895 0.50000000000000 0.42373721843237 30.974 > 3 41 P 0.10869282031105 0.50000000000000 0.42373721843237 30.974 > 5 42 P 0.60869282031105 0.50000000000000 0.42373721843237 30.974 > 5 43 P 0.35869282031105 0.50000000000000 0.07626278156763 30.974 > 7 44 P 0.85869282031105 0.50000000000000 0.07626278156763 30.974 > 7 45 P 0.25000000000000 0.50000000000000 0.15347579071354 30.974 > 9 46 P 0.75000000000000 0.50000000000000 0.15347579071354 30.974 > 9 47 P 0.00000000000000 0.50000000000000 0.34652420928646 30.974 > 11 48 P 0.50000000000000 0.50000000000000 0.34652420928646 30.974 > 11 49 K 0.37500000000000 0.25000000000000 0.25000000000000 39.098 > 49 50 K 0.87500000000000 0.25000000000000 0.25000000000000 39.098 > 49 51 K 0.37500000000000 0.75000000000000 0.25000000000000 39.098 > 51 52 K 0.87500000000000 0.75000000000000 0.25000000000000 39.098 > 51 53 K 0.25000000000000 0.22847264154680 0.00000000000000 39.098 > 53 54 K 0.75000000000000 0.22847264154680 0.00000000000000 39.098 > 53 55 K 0.25000000000000 0.77152735845320 0.00000000000000 39.098 > 55 56 K 0.75000000000000 0.77152735845320 0.00000000000000 39.098 > 55 57 K 0.37500000000000 0.75000000000000 0.75000000000000 39.098 > 49 58 K 0.87500000000000 0.75000000000000 0.75000000000000 39.098 > 49 59 K 0.37500000000000 0.25000000000000 0.75000000000000 39.098 > 51 60 K 0.87500000000000 0.25000000000000 0.75000000000000 39.098 > 51 61 K 0.25000000000000 0.72847264154680 0.50000000000000 39.098 > 53 62 K 0.75000000000000 0.72847264154680 0.50000000000000 39.098 > 53 63 K 0.25000000000000 0.27152735845320 0.50000000000000 39.098 > 55 64 K 0.75000000000000 0.27152735845320 0.50000000000000 39.098 > 55 65 K 0.12500000000000 0.25000000000000 0.75000000000000 39.098 > 49 66 K 0.62500000000000 0.25000000000000 0.75000000000000 39.098 > 49 67 K 0.12500000000000 0.75000000000000 0.75000000000000 39.098 > 51 68 K 0.62500000000000 0.75000000000000 0.75000000000000 39.098 > 51 69 K 0.00000000000000 0.22847264154680 0.50000000000000 39.098 > 53 70 K 0.50000000000000 0.22847264154680 0.50000000000000 39.098 > 53 71 K 0.00000000000000 0.77152735845320 0.50000000000000 39.098 > 55 72 K 0.50000000000000 0.77152735845320 0.50000000000000 39.098 > 55 73 K 0.12500000000000 0.75000000000000 0.25000000000000 39.098 > 49 74 K 0.62500000000000 0.75000000000000 0.25000000000000 39.098 > 49 75 K 0.12500000000000 0.25000000000000 0.25000000000000 39.098 > 51 76 K 0.62500000000000 0.25000000000000 0.25000000000000 39.098 > 51 77 K 0.00000000000000 0.72847264154680 0.00000000000000 39.098 > 53 78 K 0.50000000000000 0.72847264154680 0.00000000000000 39.098 > 53 79 K 0.00000000000000 0.27152735845320 0.00000000000000 39.098 > 55 80 K 0.50000000000000 0.27152735845320 0.00000000000000 39.098 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7627174 0.0000000 0.0000000 0.0000000 4.1037042 0.0000000 0.0000000 0.0000000 5.4473755 -------------------------- Born effective charges -------------------------- 1 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 2 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 3 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 4 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 5 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 6 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 7 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 8 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 9 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 10 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) 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 22:49:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:49:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.660931105000000 7.076937425000001 b 4.292519104999999 0.000000000000000 7.076937425000001 c 4.292519104999999 4.660931105000000 0.000000000000000 Atomic positions (fractional): 1 P 0.29364842218973 0.85887714094552 0.70635157781027 30.974 2 P 0.14112285905448 0.70635157781027 0.85887714094552 30.974 3 P 0.70635157781027 0.14112285905448 0.29364842218973 30.974 4 P 0.85887714094552 0.29364842218973 0.14112285905448 30.974 5 P 0.15347579071354 0.15347579071354 0.84652420928646 30.974 6 P 0.84652420928646 0.84652420928646 0.15347579071354 30.974 7 K 0.75000000000000 0.75000000000000 0.75000000000000 39.098 8 K 0.25000000000000 0.25000000000000 0.25000000000000 39.098 9 K 0.72847264154680 0.27152735845320 0.72847264154680 39.098 10 K 0.27152735845320 0.72847264154680 0.27152735845320 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.170076419999997 0.000000000000000 0.000000000000000 b 0.000000000000000 9.321862210000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.153874850000003 Atomic positions (fractional): 1 P 0.39130717968895 0.00000000000000 0.07626278156763 30.974 > 1 2 P 0.89130717968895 0.00000000000000 0.07626278156763 30.974 > 1 3 P 0.14130717968895 0.00000000000000 0.42373721843237 30.974 > 3 4 P 0.64130717968895 0.00000000000000 0.42373721843237 30.974 > 3 5 P 0.35869282031105 0.00000000000000 0.42373721843237 30.974 > 5 6 P 0.85869282031105 0.00000000000000 0.42373721843237 30.974 > 5 7 P 0.10869282031105 0.00000000000000 0.07626278156763 30.974 > 7 8 P 0.60869282031105 0.00000000000000 0.07626278156763 30.974 > 7 9 P 0.00000000000000 0.00000000000000 0.15347579071354 30.974 > 9 10 P 0.50000000000000 0.00000000000000 0.15347579071354 30.974 > 9 11 P 0.25000000000000 0.00000000000000 0.34652420928646 30.974 > 11 12 P 0.75000000000000 0.00000000000000 0.34652420928646 30.974 > 11 13 P 0.39130717968895 0.50000000000000 0.57626278156763 30.974 > 1 14 P 0.89130717968895 0.50000000000000 0.57626278156763 30.974 > 1 15 P 0.14130717968895 0.50000000000000 0.92373721843237 30.974 > 3 16 P 0.64130717968895 0.50000000000000 0.92373721843237 30.974 > 3 17 P 0.35869282031105 0.50000000000000 0.92373721843237 30.974 > 5 18 P 0.85869282031105 0.50000000000000 0.92373721843237 30.974 > 5 19 P 0.10869282031105 0.50000000000000 0.57626278156763 30.974 > 7 20 P 0.60869282031105 0.50000000000000 0.57626278156763 30.974 > 7 21 P 0.00000000000000 0.50000000000000 0.65347579071354 30.974 > 9 22 P 0.50000000000000 0.50000000000000 0.65347579071354 30.974 > 9 23 P 0.25000000000000 0.50000000000000 0.84652420928646 30.974 > 11 24 P 0.75000000000000 0.50000000000000 0.84652420928646 30.974 > 11 25 P 0.14130717968895 0.00000000000000 0.57626278156763 30.974 > 1 26 P 0.64130717968895 0.00000000000000 0.57626278156763 30.974 > 1 27 P 0.39130717968895 0.00000000000000 0.92373721843237 30.974 > 3 28 P 0.89130717968895 0.00000000000000 0.92373721843237 30.974 > 3 29 P 0.10869282031105 0.00000000000000 0.92373721843237 30.974 > 5 30 P 0.60869282031105 0.00000000000000 0.92373721843237 30.974 > 5 31 P 0.35869282031105 0.00000000000000 0.57626278156763 30.974 > 7 32 P 0.85869282031105 0.00000000000000 0.57626278156763 30.974 > 7 33 P 0.25000000000000 0.00000000000000 0.65347579071354 30.974 > 9 34 P 0.75000000000000 0.00000000000000 0.65347579071354 30.974 > 9 35 P 0.00000000000000 0.00000000000000 0.84652420928646 30.974 > 11 36 P 0.50000000000000 0.00000000000000 0.84652420928646 30.974 > 11 37 P 0.14130717968895 0.50000000000000 0.07626278156763 30.974 > 1 38 P 0.64130717968895 0.50000000000000 0.07626278156763 30.974 > 1 39 P 0.39130717968895 0.50000000000000 0.42373721843237 30.974 > 3 40 P 0.89130717968895 0.50000000000000 0.42373721843237 30.974 > 3 41 P 0.10869282031105 0.50000000000000 0.42373721843237 30.974 > 5 42 P 0.60869282031105 0.50000000000000 0.42373721843237 30.974 > 5 43 P 0.35869282031105 0.50000000000000 0.07626278156763 30.974 > 7 44 P 0.85869282031105 0.50000000000000 0.07626278156763 30.974 > 7 45 P 0.25000000000000 0.50000000000000 0.15347579071354 30.974 > 9 46 P 0.75000000000000 0.50000000000000 0.15347579071354 30.974 > 9 47 P 0.00000000000000 0.50000000000000 0.34652420928646 30.974 > 11 48 P 0.50000000000000 0.50000000000000 0.34652420928646 30.974 > 11 49 K 0.37500000000000 0.25000000000000 0.25000000000000 39.098 > 49 50 K 0.87500000000000 0.25000000000000 0.25000000000000 39.098 > 49 51 K 0.37500000000000 0.75000000000000 0.25000000000000 39.098 > 51 52 K 0.87500000000000 0.75000000000000 0.25000000000000 39.098 > 51 53 K 0.25000000000000 0.22847264154680 0.00000000000000 39.098 > 53 54 K 0.75000000000000 0.22847264154680 0.00000000000000 39.098 > 53 55 K 0.25000000000000 0.77152735845320 0.00000000000000 39.098 > 55 56 K 0.75000000000000 0.77152735845320 0.00000000000000 39.098 > 55 57 K 0.37500000000000 0.75000000000000 0.75000000000000 39.098 > 49 58 K 0.87500000000000 0.75000000000000 0.75000000000000 39.098 > 49 59 K 0.37500000000000 0.25000000000000 0.75000000000000 39.098 > 51 60 K 0.87500000000000 0.25000000000000 0.75000000000000 39.098 > 51 61 K 0.25000000000000 0.72847264154680 0.50000000000000 39.098 > 53 62 K 0.75000000000000 0.72847264154680 0.50000000000000 39.098 > 53 63 K 0.25000000000000 0.27152735845320 0.50000000000000 39.098 > 55 64 K 0.75000000000000 0.27152735845320 0.50000000000000 39.098 > 55 65 K 0.12500000000000 0.25000000000000 0.75000000000000 39.098 > 49 66 K 0.62500000000000 0.25000000000000 0.75000000000000 39.098 > 49 67 K 0.12500000000000 0.75000000000000 0.75000000000000 39.098 > 51 68 K 0.62500000000000 0.75000000000000 0.75000000000000 39.098 > 51 69 K 0.00000000000000 0.22847264154680 0.50000000000000 39.098 > 53 70 K 0.50000000000000 0.22847264154680 0.50000000000000 39.098 > 53 71 K 0.00000000000000 0.77152735845320 0.50000000000000 39.098 > 55 72 K 0.50000000000000 0.77152735845320 0.50000000000000 39.098 > 55 73 K 0.12500000000000 0.75000000000000 0.25000000000000 39.098 > 49 74 K 0.62500000000000 0.75000000000000 0.25000000000000 39.098 > 49 75 K 0.12500000000000 0.25000000000000 0.25000000000000 39.098 > 51 76 K 0.62500000000000 0.25000000000000 0.25000000000000 39.098 > 51 77 K 0.00000000000000 0.72847264154680 0.00000000000000 39.098 > 53 78 K 0.50000000000000 0.72847264154680 0.00000000000000 39.098 > 53 79 K 0.00000000000000 0.27152735845320 0.00000000000000 39.098 > 55 80 K 0.50000000000000 0.27152735845320 0.00000000000000 39.098 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7627174 0.0000000 0.0000000 0.0000000 4.1037042 0.0000000 0.0000000 0.0000000 5.4473755 -------------------------- Born effective charges -------------------------- 1 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 2 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 3 P -1.2047092 0.0000000 0.7798720 0.0000000 -0.8264864 0.0000000 0.6683600 0.0000000 -0.3812923 4 P -1.2047092 0.0000000 -0.7798720 0.0000000 -0.8264864 0.0000000 -0.6683600 0.0000000 -0.3812923 5 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 6 P 0.1977132 0.0000000 0.0000000 0.0000000 -0.9283759 0.0000000 0.0000000 0.0000000 -1.3990650 7 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 8 K 0.9883789 0.0000000 0.0000000 0.0000000 1.1802321 0.0000000 0.0000000 0.0000000 1.7836637 9 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 10 K 1.2233263 0.0000000 0.0000000 0.0000000 1.4011166 0.0000000 0.0000000 0.0000000 0.3779858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) 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 ... [ 9 9 9 ] 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: 0.63, Number of G-points: 293, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 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 1.478 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.782 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 10.398 ( 0.000 0.000 0.000) 0.000 10.722 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 15.074 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -11.398 11.463 15.675) 22.517 0.435 ( -15.740 14.069 7.136) 22.285 0.788 ( -24.947 30.847 9.788) 40.862 1.478 ( 0.147 0.739 -0.723) 1.044 1.794 ( -2.948 -0.045 2.504) 3.869 2.348 ( 0.719 0.568 1.090) 1.424 2.429 ( -10.631 -5.765 -4.528) 12.913 2.526 ( -2.540 2.862 -1.029) 3.963 2.751 ( 1.192 -0.959 -6.509) 6.686 2.949 ( -0.550 -1.300 2.327) 2.722 2.987 ( -0.095 0.137 -0.246) 0.298 3.051 ( -1.223 3.372 3.551) 5.048 3.350 ( 1.275 -1.370 4.552) 4.922 3.669 ( 6.658 -2.906 5.187) 8.927 3.859 ( 2.155 -11.363 4.696) 12.483 3.972 ( 0.492 2.066 0.787) 2.265 4.225 ( -19.992 -14.107 3.774) 24.757 4.680 ( 5.761 -2.168 -1.021) 6.239 4.896 ( -1.300 1.931 -1.059) 2.558 5.001 ( -0.198 -0.742 1.223) 1.444 5.259 ( 31.005 33.273 -13.787) 47.523 5.782 ( 0.112 0.721 -1.099) 1.319 5.917 ( -0.032 -0.908 0.139) 0.919 10.395 ( 0.206 -0.496 0.369) 0.651 10.710 ( 1.242 0.026 -0.907) 1.539 11.367 ( -6.215 -1.445 -5.531) 8.444 11.470 ( 0.308 -4.110 5.448) 6.831 14.714 ( -0.615 0.131 0.328) 0.709 15.076 ( -0.154 0.136 -0.077) 0.219 15.215 ( 0.789 -0.266 -0.528) 0.986 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -10.622 10.766 12.458) 19.595 0.848 ( -14.031 13.343 6.733) 20.500 1.475 ( -2.076 4.357 -0.164) 4.829 1.512 ( -18.254 22.923 7.405) 30.224 1.858 ( -3.401 -0.926 4.554) 5.759 2.368 ( -0.668 1.836 0.833) 2.124 2.491 ( -9.843 -2.079 -1.587) 10.184 2.558 ( -0.881 -0.618 -3.976) 4.119 2.685 ( 1.116 0.500 -2.333) 2.634 2.968 ( -1.139 -0.775 2.851) 3.167 2.991 ( -0.981 0.251 -0.877) 1.340 3.141 ( -1.979 3.777 2.429) 4.907 3.347 ( 0.411 -1.777 1.933) 2.658 3.568 ( 5.268 -3.043 -0.640) 6.118 3.750 ( 1.683 -8.377 4.666) 9.736 4.002 ( 0.167 2.628 0.179) 2.640 4.314 ( -9.473 -7.596 1.039) 12.186 4.552 ( 6.839 -3.334 -1.466) 7.749 4.914 ( -0.412 0.976 -1.738) 2.036 5.007 ( -0.401 -1.128 1.947) 2.286 5.119 ( 18.202 12.381 -7.551) 23.273 5.778 ( 0.277 0.721 -1.334) 1.541 5.901 ( 0.197 -1.680 -0.185) 1.701 10.388 ( 0.277 -0.744 0.608) 1.000 10.680 ( 1.907 0.043 -1.445) 2.393 11.392 ( -2.519 0.253 -1.322) 2.856 11.460 ( -0.082 -1.782 1.647) 2.428 14.730 ( -0.964 0.208 0.516) 1.113 15.079 ( -0.187 0.194 -0.184) 0.326 15.192 ( 1.203 -0.408 -0.774) 1.488 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -8.470 8.857 7.907) 14.585 1.211 ( -11.132 11.392 5.663) 16.905 1.478 ( 0.188 1.193 -1.742) 2.120 1.819 ( -0.402 -2.209 2.887) 3.657 2.128 ( -11.218 16.140 7.913) 21.189 2.403 ( -5.127 -1.675 -3.984) 6.706 2.505 ( 1.852 0.196 1.788) 2.582 2.602 ( -7.778 1.631 -0.250) 7.951 2.689 ( -0.502 0.856 -0.279) 1.031 2.993 ( -0.356 0.489 0.714) 0.936 3.015 ( -2.980 0.553 -0.686) 3.108 3.212 ( -0.525 3.446 -0.753) 3.566 3.329 ( 0.081 -2.359 1.225) 2.659 3.476 ( 3.035 -1.581 -0.163) 3.426 3.698 ( -0.284 -4.134 3.851) 5.657 4.019 ( 0.079 0.147 -1.369) 1.379 4.278 ( 1.566 -7.090 -0.068) 7.261 4.423 ( 4.398 -3.586 -1.325) 5.828 4.904 ( 1.338 1.403 -2.697) 3.321 4.977 ( 6.147 2.315 -1.937) 6.848 5.038 ( 1.960 1.717 0.586) 2.671 5.772 ( 0.250 0.425 -0.975) 1.093 5.873 ( 0.389 -1.689 -0.441) 1.788 10.381 ( 0.206 -0.635 0.577) 0.882 10.645 ( 1.703 0.028 -1.278) 2.129 11.409 ( 0.130 0.138 0.885) 0.905 11.462 ( -1.530 -0.332 -0.464) 1.633 14.749 ( -0.875 0.192 0.470) 1.011 15.081 ( -0.088 0.149 -0.258) 0.311 15.166 ( 1.029 -0.353 -0.615) 1.250 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.712 4.201 3.283) 6.497 1.463 ( -5.110 3.441 2.530) 6.660 1.476 ( -0.211 2.734 -1.583) 3.166 1.783 ( 1.671 -2.919 1.667) 3.754 2.247 ( 1.708 -0.782 -2.169) 2.870 2.519 ( -8.152 0.803 2.043) 8.443 2.553 ( -1.104 3.127 1.492) 3.637 2.643 ( 3.943 0.206 1.843) 4.357 2.762 ( -5.117 2.898 0.500) 5.901 3.004 ( 0.398 1.376 -0.057) 1.433 3.033 ( -1.232 -1.199 -3.318) 3.737 3.241 ( -0.417 2.393 0.353) 2.454 3.318 ( -0.481 -1.666 0.777) 1.901 3.462 ( -0.027 1.240 0.512) 1.342 3.708 ( -1.003 -0.570 1.666) 2.026 3.955 ( 2.173 -4.168 -1.996) 5.107 4.190 ( 2.042 -1.392 0.427) 2.508 4.333 ( 2.201 -1.944 -0.828) 3.051 4.882 ( 1.126 1.030 -1.580) 2.197 4.941 ( 1.240 0.481 -0.203) 1.346 5.045 ( 0.062 0.201 0.611) 0.646 5.768 ( 0.091 0.104 -0.373) 0.398 5.851 ( 0.202 -0.690 -0.213) 0.750 10.377 ( 0.072 -0.245 0.238) 0.349 10.622 ( 0.680 0.007 -0.505) 0.848 11.411 ( 0.346 -0.038 0.550) 0.651 11.476 ( -0.822 0.098 -0.358) 0.902 14.762 ( -0.354 0.079 0.190) 0.409 15.081 ( -0.002 0.049 -0.140) 0.148 15.150 ( 0.386 -0.134 -0.214) 0.461 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -0.000 0.000 19.404) 19.404 0.329 ( -0.000 0.000 21.167) 21.167 0.603 ( -0.000 0.000 37.537) 37.537 1.465 ( 0.000 -0.000 -1.572) 1.572 1.798 ( -0.000 0.000 3.750) 3.750 2.309 ( 0.000 -0.000 -1.329) 1.329 2.357 ( -0.000 0.000 0.128) 0.128 2.499 ( -0.000 0.000 1.258) 1.258 2.684 ( 0.000 -0.000 -9.391) 9.391 2.978 ( 0.000 -0.000 -1.423) 1.423 2.979 ( -0.000 0.000 3.831) 3.831 3.064 ( -0.000 0.000 6.361) 6.361 3.405 ( -0.000 0.000 0.729) 0.729 3.892 ( -0.000 0.000 0.873) 0.873 3.955 ( -0.000 0.000 0.178) 0.178 3.969 ( -0.000 0.000 1.351) 1.351 4.494 ( 0.000 -0.000 -6.736) 6.736 4.720 ( 0.000 -0.000 -1.350) 1.350 4.726 ( 0.000 -0.000 -2.124) 2.124 4.964 ( -0.000 0.000 0.514) 0.514 5.017 ( -0.000 0.000 1.933) 1.933 5.784 ( -0.000 0.000 0.158) 0.158 5.907 ( 0.000 -0.000 -1.814) 1.814 10.404 ( -0.000 0.000 0.765) 0.765 10.709 ( 0.000 -0.000 -1.832) 1.832 11.272 ( 0.000 -0.000 -0.166) 0.166 11.557 ( -0.000 0.000 0.619) 0.619 14.713 ( -0.000 0.000 0.663) 0.663 15.072 ( 0.000 -0.000 -0.228) 0.228 15.215 ( 0.000 -0.000 -1.033) 1.033 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -11.428 8.864 15.042) 20.867 0.696 ( -10.049 10.018 17.436) 22.480 1.083 ( -14.359 18.836 25.475) 34.784 1.455 ( 0.060 0.891 -2.115) 2.296 1.852 ( -3.581 -0.268 3.607) 5.090 2.341 ( -1.393 -0.442 -4.561) 4.789 2.368 ( -7.519 -0.197 -1.890) 7.755 2.528 ( -1.267 1.028 1.084) 1.959 2.636 ( 0.827 2.296 -4.568) 5.179 2.967 ( -0.593 -0.180 -1.760) 1.866 3.014 ( -0.286 -0.518 5.092) 5.126 3.118 ( -0.180 1.814 3.390) 3.849 3.397 ( 1.246 -1.097 1.922) 2.540 3.727 ( 13.699 -2.134 2.267) 14.048 3.937 ( 2.011 -9.705 3.719) 10.586 3.992 ( -0.643 -0.048 1.608) 1.732 4.283 ( -10.719 -12.620 1.142) 16.597 4.652 ( 5.346 -2.067 -2.317) 6.182 4.850 ( 0.725 7.857 -5.480) 9.607 5.031 ( -0.518 -0.947 2.262) 2.506 5.054 ( 7.791 15.577 -8.156) 19.232 5.771 ( 1.112 0.142 -0.342) 1.172 5.902 ( -1.432 -0.831 -2.003) 2.599 10.406 ( 0.223 -0.586 0.988) 1.170 10.684 ( 1.058 0.005 -2.343) 2.570 11.316 ( -4.833 0.626 -1.762) 5.182 11.525 ( 2.309 -2.322 2.228) 3.961 14.724 ( -0.534 0.121 0.864) 1.023 15.072 ( -0.203 0.133 -0.321) 0.402 15.200 ( 0.673 -0.231 -1.301) 1.483 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -11.752 9.922 11.383) 19.135 1.026 ( -6.295 6.945 14.605) 17.355 1.451 ( 0.099 1.407 -2.104) 2.533 1.700 ( -15.505 19.155 15.122) 28.914 1.932 ( -5.593 0.681 3.746) 6.766 2.308 ( -2.870 -0.036 -8.443) 8.917 2.467 ( -9.130 0.438 -1.419) 9.250 2.546 ( -0.062 -1.453 1.339) 1.977 2.650 ( 1.365 4.785 0.403) 4.993 2.963 ( -0.949 0.358 -1.999) 2.242 3.049 ( 0.649 -0.755 5.725) 5.810 3.164 ( -0.244 3.180 0.240) 3.198 3.377 ( 1.117 -2.260 1.890) 3.151 3.565 ( 8.874 -1.920 0.246) 9.083 3.815 ( 2.185 -8.388 2.736) 9.089 4.016 ( -0.451 0.135 1.947) 2.004 4.314 ( -6.834 -5.717 -1.658) 9.063 4.523 ( 6.328 -3.278 -2.033) 7.410 4.862 ( 2.154 5.063 -5.265) 7.615 5.011 ( 6.849 4.041 -3.273) 8.599 5.045 ( -0.230 -0.349 1.198) 1.269 5.761 ( 0.409 0.590 -0.723) 1.019 5.885 ( -0.332 -1.303 -1.742) 2.200 10.401 ( 0.425 -0.844 0.964) 1.350 10.650 ( 1.240 0.024 -2.234) 2.555 11.371 ( -3.940 1.039 -1.218) 4.253 11.488 ( 2.058 -1.762 1.808) 3.257 14.741 ( -0.749 0.180 0.829) 1.132 15.075 ( -0.225 0.192 -0.346) 0.455 15.176 ( 0.871 -0.319 -1.186) 1.505 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -4.561 4.870 6.065) 9.017 1.324 ( -8.933 8.170 8.632) 14.868 1.456 ( -0.008 1.652 -0.723) 1.803 1.896 ( 0.792 -4.633 6.390) 7.933 2.193 ( -3.435 7.163 -2.777) 8.416 2.360 ( -12.001 5.901 2.221) 13.556 2.534 ( -1.611 -2.383 0.525) 2.924 2.591 ( -8.772 4.221 -2.554) 10.064 2.694 ( 3.783 4.856 2.817) 6.769 2.970 ( -1.048 1.384 -1.823) 2.517 3.058 ( 1.866 -1.033 3.403) 4.016 3.208 ( 0.085 3.375 0.948) 3.506 3.351 ( 0.133 -2.714 1.472) 3.090 3.464 ( 4.402 0.624 -1.423) 4.668 3.737 ( 0.646 -3.817 0.582) 3.914 4.021 ( 0.128 -3.243 1.867) 3.744 4.257 ( 1.770 -4.959 -2.659) 5.899 4.398 ( 4.201 -3.369 -1.690) 5.644 4.853 ( 1.419 3.823 -3.189) 5.177 4.959 ( 2.876 0.627 -0.355) 2.965 5.049 ( -0.748 -1.186 0.439) 1.469 5.761 ( -0.001 0.496 -0.308) 0.584 5.858 ( 0.341 -0.791 -1.320) 1.576 10.391 ( 0.533 -0.755 0.666) 1.140 10.622 ( 0.618 -0.002 -1.483) 1.607 11.418 ( -1.838 0.647 0.121) 1.952 11.461 ( 0.549 -0.984 0.351) 1.180 14.758 ( -0.530 0.145 0.552) 0.779 15.077 ( -0.189 0.167 -0.209) 0.327 15.155 ( 0.552 -0.224 -0.797) 0.995 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.174 1.308 -2.451) 3.017 1.489 ( -0.250 1.846 2.649) 3.238 1.514 ( -2.522 0.867 3.403) 4.324 1.835 ( 4.100 -5.786 4.521) 8.410 2.208 ( -1.848 2.008 -2.453) 3.669 2.509 ( -4.604 -1.009 -3.154) 5.671 2.551 ( -2.578 -1.236 -0.648) 2.931 2.668 ( 7.106 2.009 0.315) 7.391 2.765 ( -3.460 5.562 -0.196) 6.554 3.022 ( -2.206 2.352 4.291) 5.368 3.043 ( 1.637 0.149 2.293) 2.822 3.252 ( 0.986 2.398 0.996) 2.778 3.322 ( 0.659 -2.086 -0.334) 2.213 3.447 ( -0.181 2.032 -2.169) 2.978 3.703 ( 0.702 -0.406 -1.931) 2.094 3.963 ( 1.070 -4.467 2.540) 5.249 4.178 ( 1.118 -1.245 -1.749) 2.420 4.320 ( 1.141 -1.134 -0.715) 1.761 4.875 ( -1.574 1.133 0.636) 2.041 4.940 ( 0.593 -0.027 0.028) 0.594 5.041 ( -0.608 -1.201 -1.062) 1.714 5.767 ( -0.217 0.236 0.301) 0.440 5.843 ( 0.323 0.420 -0.693) 0.873 10.381 ( 0.500 -0.384 0.209) 0.665 10.614 ( -0.562 -0.031 -0.470) 0.733 11.419 ( 0.634 -1.115 0.541) 1.392 11.469 ( -1.153 0.669 -0.400) 1.392 14.765 ( 0.045 0.023 0.165) 0.172 15.081 ( -0.180 0.088 0.070) 0.212 15.145 ( -0.100 0.000 -0.360) 0.374 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 5.001 -4.769 -3.854) 7.912 1.428 ( 7.268 -8.458 -1.555) 11.259 1.516 ( 0.870 -1.540 2.273) 2.881 1.781 ( 0.875 0.172 0.965) 1.314 2.280 ( -2.492 -1.031 2.464) 3.653 2.446 ( 4.395 -0.859 -6.535) 7.922 2.516 ( 0.570 -4.399 -2.095) 4.906 2.615 ( 1.111 1.348 -1.668) 2.415 2.776 ( 6.499 0.405 1.816) 6.760 3.020 ( 1.766 -1.112 1.920) 2.836 3.103 ( 3.790 -0.980 3.638) 5.344 3.247 ( -1.875 -0.496 1.481) 2.441 3.306 ( 1.685 1.338 -0.234) 2.164 3.427 ( 0.442 0.696 -3.948) 4.033 3.666 ( 1.989 0.327 -2.690) 3.361 4.017 ( -2.719 3.226 5.168) 6.671 4.163 ( -2.528 1.670 -2.984) 4.253 4.343 ( -2.957 2.536 0.445) 3.921 4.917 ( -1.446 -0.510 2.296) 2.761 4.949 ( -3.706 -1.488 0.966) 4.109 5.023 ( -1.117 -1.236 -2.047) 2.639 5.776 ( -0.421 -0.019 0.581) 0.718 5.850 ( -0.017 1.606 -0.168) 1.615 10.374 ( 0.297 0.120 -0.155) 0.356 10.628 ( -1.769 -0.039 0.307) 1.796 11.403 ( -0.124 -0.953 -0.357) 1.026 11.480 ( 0.571 0.471 0.219) 0.772 14.759 ( 0.694 -0.125 -0.125) 0.717 15.084 ( -0.094 -0.033 0.197) 0.221 15.152 ( -0.859 0.266 0.045) 0.900 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 11.699 -10.983 -3.604) 16.446 1.148 ( 12.282 -12.999 -2.127) 18.010 1.501 ( 0.112 -1.539 0.844) 1.759 1.805 ( 0.632 2.375 0.454) 2.499 2.016 ( 14.255 -20.710 -4.800) 25.596 2.412 ( 2.947 -2.828 -1.088) 4.227 2.528 ( -3.772 5.147 3.387) 7.225 2.591 ( 2.686 0.464 -2.335) 3.589 2.690 ( 6.980 0.851 0.376) 7.041 2.992 ( 2.585 -0.749 0.609) 2.759 3.033 ( 3.233 -1.573 0.644) 3.652 3.222 ( 3.494 -5.006 0.398) 6.118 3.315 ( -0.040 2.239 -0.531) 2.302 3.472 ( -3.015 5.888 -0.497) 6.634 3.645 ( 0.459 2.996 -2.123) 3.700 4.046 ( -0.112 -3.912 1.381) 4.150 4.269 ( -0.434 9.632 -0.718) 9.669 4.438 ( -4.890 3.679 0.502) 6.140 4.932 ( 0.311 0.327 0.991) 1.089 4.988 ( -0.563 -0.036 -0.610) 0.831 5.052 ( -13.677 -6.948 1.604) 15.424 5.787 ( -0.650 -0.272 0.603) 0.928 5.874 ( -0.234 2.007 -0.110) 2.024 10.374 ( -0.015 0.546 -0.222) 0.589 10.659 ( -2.413 -0.043 0.491) 2.462 11.397 ( -0.796 -0.493 -0.487) 1.055 11.470 ( 2.331 0.697 0.327) 2.455 14.744 ( 1.086 -0.219 -0.181) 1.123 15.084 ( 0.086 -0.164 0.105) 0.213 15.173 ( -1.380 0.454 0.235) 1.472 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 13.994 -13.616 -0.000) 19.525 0.793 ( 15.193 -14.592 -0.000) 21.065 1.441 ( 22.487 -29.171 -0.000) 36.832 1.490 ( -0.254 -1.162 -0.000) 1.189 1.818 ( 2.744 1.521 -0.000) 3.137 2.352 ( 0.322 -2.114 -0.000) 2.139 2.502 ( 7.670 2.026 -0.000) 7.933 2.612 ( 4.702 -1.330 -0.000) 4.887 2.693 ( -4.380 5.488 0.000) 7.021 2.954 ( 2.385 -0.110 -0.000) 2.387 2.999 ( 1.201 -0.437 -0.000) 1.278 3.114 ( 3.142 -4.635 -0.000) 5.599 3.327 ( 1.229 1.737 0.000) 2.128 3.577 ( -2.621 4.598 0.000) 5.293 3.704 ( -2.133 6.752 0.000) 7.081 4.001 ( -0.556 -4.266 -0.000) 4.302 4.302 ( 11.165 8.433 -0.000) 13.991 4.564 ( -7.085 3.343 0.000) 7.834 4.929 ( 1.287 -0.086 -0.000) 1.290 4.988 ( 0.170 0.800 0.000) 0.818 5.190 ( -24.021 -13.952 0.000) 27.779 5.793 ( -0.674 -0.757 0.000) 1.013 5.898 ( -0.222 1.594 0.000) 1.609 10.383 ( -0.246 0.684 0.000) 0.727 10.692 ( -2.176 -0.046 0.000) 2.177 11.405 ( -1.168 -0.002 0.000) 1.168 11.444 ( 4.271 2.163 -0.000) 4.788 14.726 ( 1.044 -0.218 -0.000) 1.066 15.080 ( 0.184 -0.214 -0.000) 0.282 15.198 ( -1.339 0.453 0.000) 1.413 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 0.000 18.318) 18.318 0.666 ( -0.000 0.000 21.755) 21.755 1.163 ( -0.000 0.000 33.289) 33.289 1.431 ( 0.000 -0.000 -2.654) 2.654 1.840 ( -0.000 0.000 0.274) 0.274 2.273 ( 0.000 -0.000 -12.115) 12.115 2.309 ( -0.000 0.000 2.165) 2.165 2.526 ( -0.000 0.000 2.195) 2.195 2.622 ( -0.000 0.000 2.903) 2.903 2.947 ( 0.000 -0.000 -2.459) 2.459 3.052 ( -0.000 0.000 5.076) 5.076 3.131 ( -0.000 0.000 1.779) 1.779 3.425 ( -0.000 0.000 2.019) 2.019 3.912 ( -0.000 0.000 1.572) 1.572 3.958 ( -0.000 0.000 0.271) 0.271 4.004 ( -0.000 0.000 3.132) 3.132 4.342 ( 0.000 -0.000 -12.267) 12.267 4.687 ( 0.000 -0.000 -2.576) 2.576 4.689 ( 0.000 -0.000 -2.482) 2.482 4.974 ( -0.000 0.000 0.799) 0.799 5.052 ( -0.000 0.000 2.292) 2.292 5.787 ( -0.000 0.000 0.256) 0.256 5.868 ( 0.000 -0.000 -2.918) 2.918 10.420 ( -0.000 0.000 1.168) 1.168 10.670 ( 0.000 -0.000 -2.859) 2.859 11.268 ( 0.000 -0.000 -0.270) 0.270 11.570 ( -0.000 0.000 0.970) 0.970 14.727 ( -0.000 0.000 1.080) 1.080 15.067 ( 0.000 -0.000 -0.406) 0.406 15.194 ( 0.000 -0.000 -1.594) 1.594 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -9.792 5.129 16.462) 19.829 0.971 ( -9.023 8.805 18.005) 21.979 1.414 ( -0.262 1.019 -2.343) 2.569 1.493 ( -5.776 10.367 23.578) 26.397 1.872 ( -5.795 -0.200 -1.339) 5.951 2.187 ( -1.446 2.194 -14.080) 14.323 2.364 ( -4.873 -0.290 2.166) 5.341 2.553 ( -1.508 -0.597 1.860) 2.467 2.662 ( 2.444 2.719 6.333) 7.313 2.932 ( -0.705 0.137 -2.480) 2.582 3.096 ( -0.034 0.328 4.764) 4.775 3.137 ( 0.701 1.558 -0.965) 1.962 3.431 ( 0.809 -1.454 2.821) 3.275 3.755 ( 14.078 -1.894 1.366) 14.270 3.966 ( 1.930 -7.826 -0.304) 8.066 4.030 ( -1.047 -0.477 3.474) 3.659 4.238 ( -8.772 -4.904 -6.141) 11.777 4.614 ( 5.064 -1.768 -2.383) 5.869 4.747 ( 0.212 8.090 -6.062) 10.111 4.998 ( 1.634 3.304 -0.822) 3.776 5.065 ( -0.655 -1.370 1.904) 2.436 5.769 ( 1.781 0.019 0.089) 1.783 5.862 ( -1.872 -0.457 -2.801) 3.400 10.423 ( 0.318 -0.607 1.129) 1.320 10.643 ( 0.672 -0.016 -2.711) 2.793 11.297 ( -3.343 1.056 -0.793) 3.595 11.553 ( 2.001 -1.556 1.446) 2.919 14.739 ( -0.398 0.103 1.053) 1.130 15.066 ( -0.230 0.147 -0.429) 0.508 15.177 ( 0.471 -0.183 -1.496) 1.579 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -9.750 5.386 13.251) 17.310 1.242 ( -3.212 2.545 12.266) 12.932 1.418 ( -0.568 2.251 -1.673) 2.862 1.933 ( -11.737 15.289 2.220) 19.403 1.946 ( -7.692 0.849 7.647) 10.879 2.159 ( -3.122 4.534 -8.798) 10.378 2.446 ( -6.616 0.127 -0.263) 6.623 2.561 ( -1.719 -3.752 0.571) 4.166 2.719 ( 4.151 5.231 6.719) 9.473 2.930 ( -0.724 0.922 -2.060) 2.370 3.097 ( 2.405 1.132 -1.266) 2.944 3.178 ( -1.144 2.919 3.050) 4.374 3.413 ( 1.383 -2.952 2.891) 4.357 3.569 ( 11.136 -2.015 -0.048) 11.317 3.824 ( 2.863 -6.851 -1.365) 7.550 4.064 ( -0.885 -1.173 3.801) 4.075 4.260 ( -5.723 -4.005 -4.672) 8.404 4.493 ( 5.929 -3.160 -1.645) 6.917 4.776 ( 0.926 6.121 -4.673) 7.756 4.987 ( 2.642 0.853 -0.305) 2.794 5.065 ( -1.071 -2.401 0.951) 2.795 5.758 ( 0.633 0.453 0.296) 0.832 5.851 ( -0.560 -0.475 -2.404) 2.514 10.416 ( 0.644 -0.905 0.854) 1.401 10.615 ( 0.471 -0.016 -1.974) 2.029 11.355 ( -3.821 1.621 -0.795) 4.226 11.514 ( 2.281 -2.051 1.329) 3.343 14.754 ( -0.478 0.143 0.772) 0.919 15.069 ( -0.338 0.218 -0.291) 0.497 15.157 ( 0.530 -0.227 -1.104) 1.245 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.691 -0.416 1.552) 1.749 1.448 ( -4.427 2.857 3.863) 6.533 1.482 ( -3.769 3.978 6.219) 8.289 1.973 ( -3.432 -4.795 0.411) 5.911 2.119 ( 2.849 4.972 -1.520) 5.928 2.422 ( -11.132 12.597 2.602) 17.011 2.525 ( -4.250 -5.687 -1.280) 7.214 2.533 ( -6.966 2.441 -2.896) 7.929 2.757 ( 6.497 4.361 3.471) 8.561 2.962 ( -2.204 4.182 0.972) 4.827 3.078 ( 2.344 2.379 -0.399) 3.363 3.254 ( -0.680 2.093 3.970) 4.539 3.372 ( 1.667 -3.343 1.140) 3.906 3.433 ( 6.129 0.468 -2.388) 6.594 3.724 ( 1.481 -3.365 -1.600) 4.010 4.067 ( 0.122 -5.145 3.525) 6.238 4.201 ( 0.817 -3.268 -4.123) 5.324 4.376 ( 4.196 -3.151 -1.032) 5.348 4.818 ( -1.432 4.468 -1.239) 4.853 4.959 ( 1.735 -0.304 0.204) 1.773 5.049 ( -1.023 -2.883 -0.296) 3.074 5.764 ( -0.047 0.442 0.538) 0.697 5.835 ( 0.233 0.288 -1.513) 1.558 10.400 ( 0.841 -0.846 0.436) 1.270 10.602 ( -0.333 -0.041 -0.975) 1.031 11.416 ( -2.929 1.562 -0.233) 3.327 11.469 ( 1.666 -2.125 0.525) 2.751 14.765 ( -0.204 0.099 0.370) 0.434 15.075 ( -0.376 0.205 -0.031) 0.429 15.143 ( 0.198 -0.121 -0.629) 0.670 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.215 -0.583 -1.314) 1.454 1.519 ( -1.145 2.426 0.984) 2.858 1.561 ( 0.768 -3.796 1.942) 4.332 1.896 ( 4.621 -7.550 2.331) 9.153 2.186 ( -3.059 8.570 -0.253) 9.103 2.449 ( -2.280 -6.088 -3.081) 7.194 2.547 ( -1.306 -2.402 -0.012) 2.734 2.639 ( 3.010 2.277 -2.172) 4.355 2.783 ( 0.638 6.873 1.437) 7.051 3.068 ( 1.982 1.686 0.707) 2.697 3.110 ( -4.214 5.361 4.949) 8.425 3.258 ( 4.326 -1.340 -1.054) 4.650 3.320 ( 1.869 -0.257 0.892) 2.086 3.405 ( -0.682 1.054 -2.525) 2.820 3.672 ( 1.398 -0.494 -1.293) 1.967 4.008 ( 0.126 -3.555 2.313) 4.243 4.146 ( 0.481 -1.469 -1.807) 2.378 4.313 ( 0.478 -0.627 -0.218) 0.818 4.891 ( -3.954 1.710 0.950) 4.411 4.941 ( 0.544 -0.343 0.108) 0.652 5.021 ( -0.626 -2.603 -1.085) 2.888 5.774 ( -0.336 0.150 0.360) 0.515 5.833 ( 0.350 1.333 -0.477) 1.459 10.383 ( 0.783 -0.474 0.082) 0.919 10.608 ( -1.368 -0.059 -0.192) 1.383 11.426 ( 0.909 -1.972 0.264) 2.188 11.464 ( -1.466 1.188 -0.216) 1.899 14.767 ( 0.310 -0.015 0.064) 0.317 15.082 ( -0.303 0.111 0.095) 0.337 15.141 ( -0.417 0.093 -0.204) 0.474 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 5.517 -5.018 -0.000) 7.457 1.416 ( 8.087 -10.103 -0.000) 12.941 1.535 ( 1.072 -1.204 -0.000) 1.612 1.793 ( 1.929 -0.957 -0.000) 2.154 2.324 ( 4.166 -12.272 -0.000) 12.960 2.362 ( -4.585 10.011 0.000) 11.011 2.499 ( 1.055 -4.736 -0.000) 4.852 2.599 ( 2.895 1.445 -0.000) 3.236 2.794 ( 6.850 1.544 -0.000) 7.022 3.041 ( 2.985 -0.484 -0.000) 3.024 3.128 ( 6.078 -3.781 -0.000) 7.158 3.263 ( -4.953 2.177 0.000) 5.410 3.342 ( 3.271 -5.416 -0.000) 6.327 3.352 ( 0.596 7.796 0.000) 7.818 3.643 ( 2.005 -0.082 -0.000) 2.007 4.096 ( -5.709 8.275 0.000) 10.053 4.102 ( 0.228 -3.546 -0.000) 3.553 4.347 ( -3.200 2.715 0.000) 4.197 4.934 ( 0.138 0.216 0.000) 0.257 4.972 ( -7.925 -2.537 0.000) 8.321 4.994 ( -0.086 -1.470 -0.000) 1.473 5.782 ( -0.559 -0.022 0.000) 0.560 5.848 ( 0.087 1.968 0.000) 1.970 10.372 ( 0.440 0.070 -0.000) 0.445 10.631 ( -2.195 -0.053 0.000) 2.196 11.400 ( -0.041 -1.377 -0.000) 1.378 11.482 ( 0.478 0.736 0.000) 0.877 14.758 ( 0.826 -0.143 -0.000) 0.839 15.086 ( -0.103 -0.038 0.000) 0.110 15.152 ( -1.070 0.328 0.000) 1.119 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 0.000 14.993) 14.993 1.009 ( -0.000 0.000 21.806) 21.806 1.388 ( 0.000 -0.000 -2.495) 2.495 1.624 ( -0.000 0.000 24.517) 24.517 1.796 ( 0.000 -0.000 -5.080) 5.080 2.024 ( 0.000 -0.000 -18.158) 18.158 2.372 ( -0.000 0.000 4.925) 4.925 2.564 ( -0.000 0.000 2.376) 2.376 2.723 ( -0.000 0.000 8.357) 8.357 2.906 ( 0.000 -0.000 -2.621) 2.621 3.119 ( 0.000 -0.000 -3.140) 3.140 3.126 ( -0.000 0.000 3.943) 3.943 3.475 ( -0.000 0.000 4.450) 4.450 3.938 ( -0.000 0.000 1.672) 1.672 3.962 ( -0.000 0.000 0.221) 0.221 4.062 ( -0.000 0.000 3.880) 3.880 4.123 ( 0.000 -0.000 -14.955) 14.955 4.646 ( 0.000 -0.000 -2.786) 2.786 4.651 ( 0.000 -0.000 -1.889) 1.889 4.987 ( -0.000 0.000 0.701) 0.701 5.083 ( -0.000 0.000 1.647) 1.647 5.791 ( -0.000 0.000 0.244) 0.244 5.822 ( 0.000 -0.000 -2.728) 2.728 10.438 ( -0.000 0.000 1.032) 1.032 10.626 ( 0.000 -0.000 -2.574) 2.574 11.264 ( 0.000 -0.000 -0.253) 0.253 11.585 ( -0.000 0.000 0.871) 0.871 14.745 ( -0.000 0.000 1.027) 1.027 15.060 ( 0.000 -0.000 -0.427) 0.427 15.169 ( 0.000 -0.000 -1.413) 1.413 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -11.537 3.901 12.590) 17.516 1.263 ( -6.216 5.167 18.936) 20.589 1.378 ( -0.004 0.826 -1.681) 1.873 1.710 ( 0.270 4.828 -0.353) 4.848 1.843 ( -7.805 -2.030 -6.093) 10.107 1.997 ( -3.083 10.026 -1.618) 10.613 2.415 ( -2.059 -0.990 3.281) 3.997 2.581 ( -1.486 -1.911 1.524) 2.861 2.782 ( 2.940 2.083 7.783) 8.576 2.896 ( -0.687 0.579 -1.977) 2.171 3.083 ( 1.635 1.168 -4.495) 4.924 3.164 ( -0.508 1.580 2.888) 3.330 3.494 ( 1.385 -1.949 5.169) 5.695 3.761 ( 14.162 -1.976 -1.185) 14.349 3.925 ( 3.060 -5.890 -4.410) 7.969 4.085 ( -3.016 -1.485 2.756) 4.347 4.144 ( -9.287 -0.189 -3.935) 10.088 4.582 ( 4.958 -1.274 -1.586) 5.359 4.677 ( -1.080 4.035 -2.970) 5.125 4.996 ( 0.732 0.988 0.182) 1.242 5.088 ( -0.661 -1.785 0.999) 2.150 5.774 ( 1.503 0.017 0.580) 1.611 5.820 ( -1.389 -0.039 -2.377) 2.754 10.439 ( 0.421 -0.601 0.740) 1.042 10.606 ( 0.281 -0.036 -1.800) 1.823 11.288 ( -2.646 1.211 -0.376) 2.934 11.571 ( 1.618 -1.432 0.815) 2.309 14.754 ( -0.260 0.085 0.735) 0.784 15.060 ( -0.295 0.159 -0.307) 0.454 15.156 ( 0.320 -0.138 -0.998) 1.057 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 1.393 -2.853 1.592) 3.552 1.381 ( -9.698 2.343 9.020) 13.450 1.431 ( -2.012 1.157 3.273) 4.013 1.839 ( -6.333 3.915 -6.174) 9.672 1.996 ( -17.231 18.156 -3.844) 25.324 2.152 ( 0.952 5.196 5.019) 7.287 2.459 ( -4.305 -0.493 1.074) 4.464 2.565 ( -1.699 -5.516 0.049) 5.772 2.816 ( 4.754 2.970 4.441) 7.151 2.902 ( -0.357 2.497 -1.457) 2.913 3.054 ( 1.795 3.159 -2.395) 4.352 3.224 ( -1.420 3.199 1.723) 3.901 3.466 ( 2.944 -3.790 3.355) 5.856 3.554 ( 11.181 -2.395 -1.856) 11.585 3.793 ( 2.997 -5.020 -1.660) 6.078 4.123 ( -1.194 -0.967 3.471) 3.796 4.188 ( -5.473 -4.365 -4.003) 8.064 4.474 ( 5.725 -3.020 -0.624) 6.503 4.727 ( -1.130 5.365 -1.504) 5.686 4.987 ( 1.673 0.012 0.094) 1.675 5.074 ( -1.056 -3.198 0.236) 3.376 5.769 ( 0.638 0.190 0.887) 1.109 5.816 ( -0.485 0.379 -1.687) 1.796 10.425 ( 0.803 -0.927 0.337) 1.272 10.593 ( -0.051 -0.050 -0.782) 0.785 11.347 ( -3.600 1.893 -0.274) 4.077 11.528 ( 2.154 -2.299 0.483) 3.187 14.763 ( -0.282 0.116 0.317) 0.440 15.066 ( -0.483 0.242 -0.095) 0.549 15.144 ( 0.357 -0.169 -0.467) 0.612 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.553 -2.117 -0.000) 2.188 1.472 ( -1.424 2.674 0.000) 3.030 1.556 ( -6.194 0.515 0.000) 6.215 1.940 ( -7.107 1.484 0.000) 7.260 2.139 ( 7.540 1.917 -0.000) 7.780 2.426 ( -12.957 16.067 0.000) 20.641 2.505 ( -3.703 -8.098 -0.000) 8.904 2.526 ( -4.460 -0.250 0.000) 4.467 2.784 ( 6.623 2.987 -0.000) 7.266 2.978 ( -3.471 6.200 0.000) 7.106 3.071 ( 2.100 4.566 0.000) 5.026 3.292 ( -1.606 2.260 0.000) 2.773 3.388 ( 3.173 -4.000 -0.000) 5.105 3.402 ( 7.205 -0.442 -0.000) 7.219 3.708 ( 1.722 -3.042 -0.000) 3.496 4.112 ( -0.092 -8.747 -0.000) 8.748 4.150 ( 0.416 0.362 -0.000) 0.551 4.367 ( 4.152 -3.058 -0.000) 5.157 4.809 ( -2.676 4.697 0.000) 5.406 4.961 ( 1.495 -0.531 -0.000) 1.587 5.046 ( -0.987 -3.633 -0.000) 3.765 5.771 ( -0.001 0.215 0.000) 0.215 5.820 ( 0.153 0.951 0.000) 0.963 10.404 ( 0.967 -0.878 -0.000) 1.306 10.594 ( -0.709 -0.060 0.000) 0.711 11.413 ( -3.101 1.855 0.000) 3.613 11.474 ( 1.836 -2.525 -0.000) 3.122 14.768 ( -0.069 0.079 0.000) 0.105 15.075 ( -0.479 0.223 0.000) 0.528 15.137 ( 0.080 -0.081 -0.000) 0.114 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 0.000 6.751) 6.751 1.326 ( -0.000 0.000 12.026) 12.026 1.373 ( -0.000 0.000 6.034) 6.034 1.716 ( 0.000 -0.000 -3.673) 3.673 1.730 ( 0.000 -0.000 -17.995) 17.995 1.899 ( -0.000 0.000 9.409) 9.409 2.434 ( -0.000 0.000 2.277) 2.277 2.594 ( -0.000 0.000 1.151) 1.151 2.850 ( -0.000 0.000 6.499) 6.499 2.873 ( 0.000 -0.000 -1.251) 1.251 3.049 ( 0.000 -0.000 -4.618) 4.618 3.169 ( -0.000 0.000 1.452) 1.452 3.562 ( -0.000 0.000 5.530) 5.530 3.907 ( 0.000 -0.000 -10.154) 10.154 3.959 ( -0.000 0.000 0.750) 0.750 3.966 ( -0.000 0.000 0.001) 0.001 4.111 ( -0.000 0.000 1.883) 1.883 4.611 ( 0.000 -0.000 -1.353) 1.353 4.630 ( 0.000 -0.000 -0.679) 0.679 4.995 ( -0.000 0.000 0.275) 0.275 5.101 ( -0.000 0.000 0.586) 0.586 5.790 ( 0.000 -0.000 -1.126) 1.126 5.794 ( -0.000 0.000 0.102) 0.102 10.450 ( -0.000 0.000 0.414) 0.414 10.596 ( 0.000 -0.000 -1.038) 1.038 11.261 ( 0.000 -0.000 -0.104) 0.104 11.595 ( -0.000 0.000 0.349) 0.349 14.757 ( -0.000 0.000 0.429) 0.429 15.055 ( 0.000 -0.000 -0.191) 0.191 15.153 ( 0.000 -0.000 -0.561) 0.561 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -13.839 3.679 0.000) 14.320 1.358 ( -0.219 1.455 0.000) 1.471 1.546 ( 2.290 -9.283 -0.000) 9.562 1.579 ( -9.478 12.994 0.000) 16.084 1.718 ( -1.598 3.421 0.000) 3.776 2.052 ( -4.155 9.205 0.000) 10.100 2.444 ( -1.290 -1.147 0.000) 1.726 2.594 ( -1.452 -2.580 -0.000) 2.961 2.869 ( 2.565 0.920 -0.000) 2.725 2.871 ( 0.332 1.096 0.000) 1.145 3.029 ( 1.131 1.777 0.000) 2.107 3.188 ( -0.424 1.791 0.000) 1.840 3.558 ( 2.064 -2.454 -0.000) 3.206 3.726 ( 12.702 -1.921 -0.000) 12.847 3.882 ( 3.193 -3.938 -0.000) 5.070 4.099 ( -11.983 -3.135 0.000) 12.386 4.127 ( -0.005 1.215 0.000) 1.215 4.568 ( 4.882 -0.934 -0.000) 4.971 4.653 ( -1.467 2.728 0.000) 3.097 4.998 ( 0.566 0.571 -0.000) 0.804 5.096 ( -0.648 -1.982 -0.000) 2.086 5.786 ( 0.910 -0.216 -0.000) 0.935 5.794 ( -0.736 0.396 0.000) 0.836 10.445 ( 0.468 -0.596 -0.000) 0.758 10.591 ( 0.112 -0.045 -0.000) 0.121 11.285 ( -2.440 1.258 0.000) 2.745 11.578 ( 1.474 -1.436 -0.000) 2.057 14.760 ( -0.199 0.077 0.000) 0.213 15.058 ( -0.343 0.164 0.000) 0.380 15.148 ( 0.276 -0.120 -0.000) 0.301 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 19.746 0.000) 19.746 0.572 ( 0.000 23.688 0.000) 23.688 1.074 ( 0.000 43.878 0.000) 43.878 1.495 ( 0.000 1.339 0.000) 1.339 1.771 ( 0.000 0.658 0.000) 0.658 2.300 ( -0.000 -1.367 -0.000) 1.367 2.351 ( 0.000 0.244 0.000) 0.244 2.571 ( 0.000 6.140 0.000) 6.140 2.770 ( -0.000 -2.078 -0.000) 2.078 2.898 ( -0.000 -3.961 -0.000) 3.961 2.992 ( 0.000 0.195 0.000) 0.195 3.075 ( 0.000 3.552 0.000) 3.552 3.310 ( -0.000 -1.067 -0.000) 1.067 3.616 ( -0.000 -3.551 -0.000) 3.551 3.836 ( -0.000 -4.056 -0.000) 4.056 3.914 ( -0.000 -3.002 -0.000) 3.002 4.012 ( 0.000 3.989 0.000) 3.989 4.673 ( -0.000 -5.884 -0.000) 5.884 4.899 ( 0.000 1.510 0.000) 1.510 4.981 ( -0.000 -1.421 -0.000) 1.421 5.753 ( -0.000 -2.778 -0.000) 2.778 5.880 ( -0.000 -1.880 -0.000) 1.880 5.901 ( -0.000 -1.648 -0.000) 1.648 10.391 ( -0.000 -0.551 -0.000) 0.551 10.723 ( 0.000 0.054 0.000) 0.054 11.299 ( 0.000 2.094 0.000) 2.094 11.422 ( -0.000 -0.387 -0.000) 0.387 14.711 ( 0.000 0.259 0.000) 0.259 15.078 ( 0.000 0.300 0.000) 0.300 15.217 ( -0.000 -0.522 -0.000) 0.522 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -5.884 17.002 7.194) 19.376 0.905 ( -5.651 21.776 3.663) 22.793 1.509 ( 0.346 1.693 -0.571) 1.819 1.651 ( -8.405 36.254 2.195) 37.280 1.797 ( -1.451 0.899 2.600) 3.110 2.345 ( -7.735 -1.581 -1.025) 7.961 2.366 ( -1.767 0.477 1.854) 2.605 2.621 ( 2.104 3.472 -5.155) 6.562 2.712 ( 3.039 -0.686 1.570) 3.489 2.896 ( -3.730 -2.830 3.156) 5.646 2.994 ( -0.222 0.527 -0.510) 0.767 3.144 ( -1.908 4.268 1.239) 4.836 3.309 ( -0.007 -1.931 3.137) 3.684 3.562 ( 2.540 -5.177 1.921) 6.078 3.693 ( 5.866 -4.397 0.653) 7.360 4.006 ( -10.404 -3.998 -3.453) 11.669 4.087 ( -3.958 1.711 4.416) 6.172 4.562 ( 3.184 -7.719 -0.967) 8.406 4.922 ( -0.322 1.340 -0.263) 1.403 4.970 ( -0.788 -1.632 0.830) 1.993 5.555 ( 18.112 -0.505 -7.866) 19.753 5.812 ( 1.548 0.896 -2.244) 2.870 5.877 ( -0.061 -2.303 -0.053) 2.305 10.380 ( 0.397 -0.678 0.188) 0.808 10.711 ( 1.226 0.043 -0.931) 1.541 11.362 ( -4.248 1.426 -0.843) 4.559 11.423 ( 0.266 -0.879 2.150) 2.337 14.720 ( -0.577 0.332 0.313) 0.736 15.082 ( -0.065 0.372 -0.106) 0.392 15.203 ( 0.724 -0.663 -0.469) 1.087 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -6.208 13.292 6.973) 16.243 1.262 ( -5.557 19.330 4.282) 20.564 1.516 ( 0.618 1.895 -1.167) 2.310 1.797 ( 1.063 -0.206 1.338) 1.721 2.161 ( -8.116 19.908 4.013) 21.871 2.364 ( -1.335 -3.036 -2.902) 4.407 2.483 ( -7.542 1.138 -0.923) 7.683 2.562 ( 0.063 4.568 1.106) 4.700 2.718 ( 3.221 2.177 2.789) 4.784 2.947 ( -3.001 -1.218 3.395) 4.692 3.012 ( -1.737 1.868 -1.193) 2.816 3.214 ( -3.015 0.860 -1.121) 3.330 3.317 ( 0.714 0.528 1.931) 2.126 3.473 ( 3.602 -4.201 3.035) 6.311 3.621 ( 0.002 -3.079 2.154) 3.757 4.019 ( -4.050 -3.641 -4.676) 7.178 4.174 ( -2.935 -1.132 3.721) 4.872 4.411 ( 3.026 -8.359 -1.290) 8.983 4.928 ( 0.405 0.728 -0.902) 1.228 4.978 ( -1.517 -1.013 1.000) 2.080 5.264 ( 15.423 -0.216 -7.691) 17.236 5.794 ( 0.818 0.456 -1.100) 1.444 5.850 ( -0.120 -2.391 0.161) 2.399 10.371 ( 0.145 -0.583 0.424) 0.735 10.681 ( 1.911 0.024 -1.449) 2.398 11.406 ( -0.628 0.527 0.006) 0.820 11.437 ( -1.950 0.139 0.601) 2.045 14.737 ( -0.861 0.316 0.476) 1.033 15.085 ( 0.011 0.324 -0.210) 0.386 15.179 ( 1.006 -0.612 -0.630) 1.335 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.741 7.238 5.209) 9.086 1.487 ( 0.335 3.520 -1.501) 3.842 1.573 ( 0.342 13.244 1.310) 13.314 1.787 ( 1.109 1.551 0.202) 1.917 2.255 ( 2.050 -5.560 -3.273) 6.769 2.405 ( -7.950 2.227 1.316) 8.360 2.542 ( -3.296 1.382 0.138) 3.577 2.705 ( 6.243 1.904 5.603) 8.602 2.758 ( -2.928 8.713 3.451) 9.819 2.989 ( -2.656 -1.194 1.177) 3.141 3.050 ( -1.267 2.141 -3.805) 4.546 3.213 ( -0.946 -4.036 -0.398) 4.164 3.315 ( 0.722 1.450 0.713) 1.770 3.464 ( 0.592 0.713 3.403) 3.527 3.641 ( -3.366 -1.691 3.291) 5.002 3.964 ( -0.036 -1.606 -4.341) 4.629 4.192 ( 1.286 -0.355 1.286) 1.853 4.294 ( -0.968 -6.649 -0.678) 6.753 4.919 ( 0.704 0.597 -1.755) 1.983 4.981 ( 1.344 -0.804 -1.390) 2.094 5.062 ( 5.082 -1.880 -2.706) 6.057 5.782 ( 0.770 0.324 -0.668) 1.070 5.832 ( -0.427 -1.539 0.798) 1.785 10.370 ( -0.237 -0.240 0.371) 0.502 10.646 ( 1.704 0.019 -1.299) 2.143 11.409 ( -0.126 -0.111 -0.045) 0.174 11.469 ( -1.224 0.795 -0.036) 1.460 14.754 ( -0.698 0.210 0.402) 0.832 15.085 ( 0.174 0.191 -0.257) 0.364 15.157 ( 0.709 -0.381 -0.404) 0.900 ======================= Grid point 90 (30/125) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 5.187 -0.570 0.637) 5.257 1.469 ( 1.476 -0.199 -0.717) 1.653 1.608 ( 11.185 4.608 -3.801) 12.680 1.844 ( -1.835 7.848 -3.315) 8.715 2.207 ( -1.727 -0.858 1.750) 2.604 2.477 ( -5.948 -4.203 -2.598) 7.733 2.569 ( 1.402 -1.205 0.701) 1.977 2.693 ( 5.373 2.946 3.768) 7.194 2.822 ( 6.940 0.623 0.956) 7.034 2.984 ( -0.388 -1.912 -1.293) 2.341 3.031 ( 0.306 0.416 1.632) 1.712 3.185 ( -1.702 -4.617 0.504) 4.946 3.346 ( -0.280 1.763 0.075) 1.787 3.447 ( 1.877 -2.855 1.761) 3.844 3.703 ( -2.532 1.087 1.668) 3.221 3.987 ( -2.246 6.056 -1.667) 6.671 4.182 ( -1.093 0.059 -0.160) 1.106 4.281 ( -4.492 -1.086 0.592) 4.659 4.864 ( 2.290 -3.649 -2.093) 4.789 4.935 ( 0.242 -0.350 -0.434) 0.608 5.039 ( -1.564 -0.408 -1.035) 1.919 5.773 ( 0.727 0.282 -0.093) 0.785 5.839 ( -0.925 -0.307 1.411) 1.716 10.376 ( -0.519 0.171 0.024) 0.547 10.622 ( 0.681 0.023 -0.552) 0.877 11.410 ( -0.827 -0.017 -1.146) 1.413 11.483 ( 0.511 0.428 0.518) 0.844 14.764 ( -0.136 0.058 0.107) 0.183 15.083 ( 0.236 0.065 -0.087) 0.259 15.147 ( 0.046 -0.101 -0.006) 0.111 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 9.249 -4.080 -6.367) 11.947 1.373 ( 14.879 -1.480 -6.689) 16.380 1.470 ( 3.028 0.123 0.704) 3.112 1.914 ( 1.174 6.454 -5.290) 8.427 2.164 ( 8.100 -6.940 -4.368) 11.526 2.431 ( 1.630 -6.099 -2.882) 6.939 2.496 ( 1.068 -0.429 2.807) 3.034 2.667 ( 4.642 1.382 -1.242) 5.000 2.726 ( 7.496 -0.170 5.228) 9.141 2.987 ( 0.288 0.125 1.478) 1.511 3.042 ( 0.902 0.035 -0.386) 0.982 3.148 ( -1.300 -4.152 0.896) 4.442 3.367 ( -0.675 1.773 -1.166) 2.227 3.438 ( -0.751 -0.627 3.766) 3.891 3.753 ( -2.335 3.127 -1.399) 4.146 4.027 ( 0.733 0.530 -2.419) 2.582 4.275 ( -7.556 4.003 1.625) 8.704 4.376 ( -5.183 3.024 1.635) 6.220 4.788 ( -1.119 -6.735 1.241) 6.939 4.937 ( -0.727 0.342 -0.455) 0.923 5.043 ( -1.176 0.220 -2.288) 2.582 5.767 ( 0.677 -0.028 0.487) 0.834 5.868 ( -1.233 0.695 1.632) 2.160 10.386 ( -0.623 0.450 -0.405) 0.869 10.622 ( -0.658 0.009 0.451) 0.798 11.411 ( -1.146 0.027 -1.908) 2.226 11.478 ( 1.529 0.245 1.178) 1.946 14.760 ( 0.542 -0.058 -0.263) 0.605 15.080 ( 0.214 -0.015 0.182) 0.281 15.153 ( -0.687 0.099 0.401) 0.802 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 11.882 -4.017 -11.946) 17.322 1.061 ( 19.440 -1.271 -9.075) 21.492 1.459 ( 0.742 -0.358 1.525) 1.734 1.662 ( 23.747 -11.307 -11.689) 28.782 1.968 ( 4.513 1.853 -5.275) 7.185 2.349 ( -0.307 -2.886 -1.321) 3.189 2.561 ( -0.045 2.099 4.706) 5.153 2.607 ( 5.153 1.005 1.456) 5.448 2.664 ( 7.601 -1.159 5.210) 9.288 2.991 ( 1.037 0.247 1.361) 1.729 3.013 ( -0.151 0.267 -4.663) 4.673 3.125 ( 0.187 -2.796 0.463) 2.841 3.378 ( 0.302 1.253 -1.208) 1.767 3.508 ( -4.282 0.855 4.004) 5.925 3.835 ( -4.880 5.614 -3.120) 8.066 3.987 ( 0.235 -1.460 -2.879) 3.237 4.430 ( -3.739 4.044 2.175) 5.922 4.466 ( -4.724 0.352 1.573) 4.992 4.757 ( -4.064 -7.381 2.971) 8.934 4.951 ( -1.145 0.241 -0.164) 1.181 5.038 ( -0.469 0.419 -2.779) 2.850 5.764 ( 0.385 -0.237 1.050) 1.143 5.904 ( -0.940 0.755 1.050) 1.599 10.395 ( -0.558 0.427 -0.677) 0.976 10.644 ( -1.672 -0.012 1.246) 2.086 11.406 ( 0.309 -0.070 -0.920) 0.973 11.477 ( 0.303 0.581 0.828) 1.056 14.746 ( 0.985 -0.077 -0.513) 1.114 15.079 ( 0.253 -0.049 0.252) 0.361 15.172 ( -1.232 0.145 0.759) 1.454 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 13.783 -0.000 -16.007) 21.123 0.714 ( 21.253 -0.000 -9.658) 23.344 1.102 ( 31.380 -0.000 -14.050) 34.382 1.464 ( 0.069 0.000 1.374) 1.376 1.878 ( 5.011 -0.000 -4.383) 6.657 2.338 ( -1.477 0.000 -1.464) 2.079 2.536 ( 2.805 -0.000 -1.363) 3.119 2.560 ( 10.901 -0.000 6.448) 12.665 2.678 ( -0.598 0.000 9.343) 9.362 2.983 ( -0.382 -0.000 -4.519) 4.535 2.989 ( 0.879 0.000 0.996) 1.329 3.084 ( 1.461 -0.000 -3.405) 3.705 3.371 ( -0.180 -0.000 -2.090) 2.097 3.607 ( -5.613 0.000 2.219) 6.036 3.930 ( -6.202 0.000 -4.967) 7.946 3.957 ( -0.611 -0.000 -1.956) 2.049 4.476 ( 0.756 0.000 2.767) 2.869 4.582 ( -7.841 0.000 1.414) 7.967 4.742 ( -0.976 0.000 1.615) 1.887 4.962 ( -0.377 0.000 0.089) 0.388 5.022 ( 0.064 -0.000 -2.421) 2.422 5.769 ( -0.023 0.000 1.182) 1.182 5.922 ( -0.330 0.000 0.171) 0.372 10.399 ( -0.377 -0.000 -0.663) 0.763 10.679 ( -1.899 0.000 1.437) 2.381 11.391 ( 2.295 -0.000 1.797) 2.914 11.494 ( -1.566 0.000 -0.471) 1.635 14.728 ( 1.003 -0.000 -0.531) 1.135 15.077 ( 0.255 -0.000 0.162) 0.302 15.197 ( -1.275 0.000 0.840) 1.527 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 19.821 -0.000 -0.000) 19.821 0.634 ( 24.034 -0.000 -0.000) 24.034 0.990 ( 35.686 -0.000 -0.000) 35.686 1.475 ( -0.094 0.000 0.000) 0.094 1.840 ( 5.030 -0.000 -0.000) 5.030 2.321 ( -1.794 0.000 0.000) 1.794 2.525 ( 2.808 -0.000 -0.000) 2.808 2.626 ( 7.625 -0.000 -0.000) 7.625 2.773 ( -2.119 0.000 0.000) 2.119 2.941 ( -0.487 0.000 0.000) 0.487 2.992 ( 1.351 -0.000 -0.000) 1.351 3.045 ( 3.500 -0.000 -0.000) 3.500 3.350 ( 1.934 -0.000 -0.000) 1.934 3.640 ( -1.572 0.000 0.000) 1.572 3.865 ( -5.731 0.000 0.000) 5.731 3.942 ( -0.984 0.000 0.000) 0.984 4.496 ( 0.408 -0.000 -0.000) 0.408 4.594 ( -7.920 0.000 0.000) 7.920 4.756 ( -1.130 0.000 0.000) 1.130 4.966 ( 0.110 -0.000 -0.000) 0.110 4.998 ( -0.388 0.000 0.000) 0.388 5.782 ( -0.022 0.000 0.000) 0.022 5.918 ( -0.286 0.000 0.000) 0.286 10.394 ( -0.305 0.000 0.000) 0.305 10.691 ( -2.169 0.000 0.000) 2.169 11.405 ( -1.516 0.000 0.000) 1.516 11.495 ( 0.862 -0.000 -0.000) 0.862 14.723 ( 1.083 -0.000 -0.000) 1.083 15.078 ( 0.261 -0.000 -0.000) 0.261 15.204 ( -1.411 0.000 0.000) 1.411 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.000 14.596 16.616) 22.116 0.655 ( -0.000 21.186 9.875) 23.374 1.171 ( -0.000 37.887 12.598) 39.927 1.485 ( 0.000 1.463 -1.333) 1.979 1.802 ( -0.000 0.380 3.395) 3.416 2.294 ( 0.000 -0.935 -0.456) 1.040 2.365 ( -0.000 0.543 0.368) 0.656 2.552 ( 0.000 3.802 -1.710) 4.169 2.708 ( 0.000 1.073 -5.484) 5.588 2.944 ( -0.000 -2.075 4.479) 4.936 2.986 ( -0.000 0.205 -0.061) 0.214 3.112 ( -0.000 2.839 3.751) 4.704 3.370 ( -0.000 -2.359 3.301) 4.057 3.728 ( -0.000 -12.876 10.633) 16.699 3.843 ( 0.000 -4.096 0.815) 4.176 3.906 ( 0.000 -3.446 -0.532) 3.487 4.060 ( -0.000 1.879 5.199) 5.528 4.656 ( 0.000 -5.778 -1.986) 6.110 4.897 ( -0.000 1.743 -0.423) 1.793 4.995 ( -0.000 -1.696 1.544) 2.293 5.547 ( 0.000 9.737 -26.583) 28.311 5.784 ( 0.000 0.783 -1.016) 1.283 5.889 ( 0.000 -1.424 -1.473) 2.049 10.393 ( -0.000 -0.653 0.495) 0.819 10.708 ( 0.000 0.009 -1.823) 1.823 11.299 ( -0.000 2.143 -0.090) 2.145 11.474 ( -0.000 -2.977 4.226) 5.169 14.716 ( -0.000 0.250 0.648) 0.695 15.076 ( 0.000 0.302 -0.224) 0.376 15.209 ( 0.000 -0.493 -0.990) 1.106 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -3.750 12.745 13.203) 18.730 1.011 ( -3.953 19.908 9.347) 22.346 1.491 ( 0.381 1.899 -1.649) 2.544 1.731 ( -5.690 25.741 8.197) 27.607 1.862 ( -4.759 5.134 4.869) 8.527 2.314 ( -3.697 -1.172 -3.021) 4.916 2.388 ( -3.703 1.413 -0.309) 3.975 2.554 ( 1.104 0.755 -2.714) 3.026 2.713 ( 0.620 3.795 0.800) 3.928 2.970 ( -0.904 0.940 0.297) 1.337 2.999 ( 0.785 -0.551 6.105) 6.180 3.171 ( -1.516 1.590 1.641) 2.742 3.356 ( 1.210 -1.763 1.678) 2.718 3.618 ( 6.706 -6.412 4.405) 10.270 3.716 ( 3.123 -5.642 2.383) 6.875 3.964 ( -7.399 -4.040 -1.554) 8.572 4.152 ( -5.521 -0.302 3.247) 6.412 4.536 ( 2.932 -7.572 -2.158) 8.401 4.915 ( 0.234 1.553 -0.777) 1.752 4.989 ( -1.135 -2.252 1.294) 2.834 5.345 ( 12.618 4.062 -16.362) 21.058 5.783 ( 0.391 0.853 -1.084) 1.434 5.867 ( -0.875 -1.884 -1.160) 2.379 10.387 ( 0.248 -0.821 0.731) 1.127 10.684 ( 0.991 0.027 -2.390) 2.588 11.351 ( -2.997 2.292 -0.530) 3.810 11.464 ( 0.691 -2.314 2.444) 3.436 14.729 ( -0.496 0.306 0.824) 1.009 15.079 ( -0.083 0.369 -0.308) 0.488 15.190 ( 0.584 -0.580 -1.181) 1.439 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -3.522 10.296 7.549) 13.244 1.350 ( -3.015 17.185 6.719) 18.696 1.496 ( 0.879 2.591 -1.011) 2.917 1.837 ( 1.452 -1.012 3.678) 4.081 2.251 ( -6.952 13.815 5.856) 16.537 2.281 ( -1.806 -2.050 -5.041) 5.733 2.467 ( -5.268 -0.561 -1.054) 5.401 2.589 ( -5.544 8.063 -0.240) 9.788 2.772 ( 3.333 5.168 5.241) 8.079 2.985 ( -0.853 0.815 -1.510) 1.916 3.030 ( 1.950 -0.421 5.774) 6.109 3.214 ( -2.275 -0.161 0.883) 2.446 3.327 ( 1.396 -0.810 0.047) 1.614 3.517 ( 4.448 -1.499 1.825) 5.036 3.670 ( -0.954 -3.817 3.228) 5.089 3.963 ( -2.946 -4.779 -2.052) 5.977 4.212 ( -2.307 -1.522 0.848) 2.891 4.386 ( 2.482 -8.045 -1.747) 8.598 4.911 ( 0.929 0.673 -1.473) 1.867 4.989 ( -1.170 -1.772 0.187) 2.131 5.123 ( 9.112 0.704 -9.024) 12.844 5.778 ( 0.607 0.727 -0.764) 1.216 5.849 ( -0.487 -1.546 -0.300) 1.649 10.381 ( 0.219 -0.723 0.749) 1.064 10.650 ( 1.236 0.019 -2.280) 2.594 11.406 ( -1.676 1.469 0.049) 2.229 11.447 ( -0.157 -1.221 0.583) 1.362 14.747 ( -0.644 0.273 0.760) 1.033 15.081 ( -0.018 0.324 -0.321) 0.457 15.166 ( 0.656 -0.478 -0.992) 1.282 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.196 5.482 -0.756) 5.537 1.488 ( 0.882 2.241 2.723) 3.635 1.596 ( 3.941 12.074 1.956) 12.851 1.811 ( 3.317 -1.133 2.887) 4.541 2.200 ( -0.947 -2.720 -2.913) 4.096 2.429 ( -5.391 -1.345 1.063) 5.657 2.528 ( -3.985 1.962 -1.720) 4.764 2.784 ( 0.133 4.053 4.374) 5.965 2.808 ( 3.840 7.470 0.180) 8.401 2.990 ( -0.619 -1.050 1.451) 1.895 3.040 ( 0.651 1.115 2.379) 2.706 3.233 ( -0.868 -2.420 2.517) 3.598 3.323 ( 0.046 1.492 0.377) 1.539 3.488 ( 1.689 0.514 -0.228) 1.780 3.685 ( -2.383 -1.268 1.319) 3.004 3.921 ( -0.580 -1.147 -0.509) 1.382 4.193 ( 1.469 -1.256 -1.135) 2.241 4.281 ( -1.527 -5.759 -0.890) 6.024 4.885 ( 0.994 -0.386 -2.196) 2.442 4.958 ( 2.232 -1.024 -1.128) 2.702 5.022 ( -1.048 -1.738 -2.538) 3.250 5.775 ( 0.573 0.594 -0.135) 0.836 5.843 ( -0.444 -0.478 0.450) 0.793 10.377 ( 0.082 -0.376 0.465) 0.604 10.622 ( 0.635 0.001 -1.540) 1.666 11.409 ( 0.221 -1.220 -0.029) 1.241 11.467 ( -1.329 1.338 -0.146) 1.892 14.761 ( -0.351 0.156 0.466) 0.604 15.082 ( 0.057 0.212 -0.154) 0.268 15.149 ( 0.239 -0.236 -0.590) 0.679 ======================= Grid point 100 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 6.783 -0.925 -3.617) 7.743 1.499 ( 3.421 -1.281 2.976) 4.712 1.551 ( 13.025 1.923 -3.139) 13.535 1.815 ( 0.589 4.776 -0.214) 4.816 2.221 ( -2.421 -0.423 0.721) 2.561 2.438 ( -3.460 -5.005 -2.716) 6.663 2.547 ( 1.013 0.646 -3.128) 3.351 2.716 ( 8.591 1.323 -1.934) 8.905 2.841 ( 4.384 1.187 3.798) 5.920 2.992 ( -0.010 -1.447 1.586) 2.147 3.096 ( 0.970 0.930 5.617) 5.775 3.203 ( 0.720 -4.065 1.463) 4.380 3.336 ( 0.171 0.634 -1.057) 1.244 3.466 ( 1.431 0.828 0.571) 1.749 3.698 ( -0.882 0.376 -2.296) 2.488 3.993 ( -2.496 4.379 2.493) 5.624 4.166 ( -2.335 0.881 -1.872) 3.119 4.288 ( -5.731 -0.526 0.265) 5.762 4.847 ( -0.741 -4.018 -0.048) 4.086 4.930 ( -0.004 -0.537 -0.071) 0.542 5.010 ( -1.915 -1.108 -2.529) 3.359 5.775 ( 0.433 0.353 0.320) 0.644 5.857 ( -0.717 0.685 0.868) 1.318 10.377 ( -0.076 0.067 0.044) 0.111 10.613 ( -0.555 -0.012 -0.536) 0.772 11.392 ( -0.551 -1.051 -1.053) 1.586 11.491 ( 0.151 0.975 0.476) 1.095 14.765 ( 0.261 0.009 0.090) 0.276 15.083 ( 0.060 0.098 0.120) 0.166 15.146 ( -0.442 0.017 -0.178) 0.477 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 13.795 -5.410 -4.623) 15.522 1.286 ( 18.322 -2.801 -4.093) 18.982 1.486 ( 1.283 -0.703 1.001) 1.773 1.865 ( 2.664 4.452 -0.811) 5.251 2.062 ( 13.354 -10.693 -7.019) 18.491 2.382 ( -0.874 -6.154 -2.358) 6.648 2.552 ( -0.493 5.067 2.785) 5.803 2.643 ( 3.141 0.743 -1.713) 3.654 2.802 ( 8.793 1.648 4.082) 9.834 2.982 ( -0.311 -1.624 -0.553) 1.743 3.053 ( 3.783 -2.062 0.935) 4.408 3.190 ( 1.533 -3.403 3.227) 4.934 3.345 ( -1.092 2.206 -1.417) 2.840 3.496 ( 0.030 2.965 3.521) 4.603 3.706 ( -1.718 3.378 -4.046) 5.543 4.005 ( 0.863 -2.717 -0.592) 2.911 4.295 ( -8.416 5.145 0.938) 9.909 4.395 ( -5.866 3.124 0.721) 6.685 4.813 ( -4.030 -7.628 1.644) 8.782 4.936 ( -0.616 0.315 0.535) 0.874 5.002 ( -1.381 -0.253 -2.828) 3.157 5.777 ( 0.217 0.023 0.669) 0.703 5.886 ( -0.822 1.190 0.554) 1.549 10.381 ( -0.228 0.400 -0.257) 0.527 10.628 ( -1.769 -0.025 0.259) 1.788 11.384 ( -1.257 -0.607 -1.405) 1.980 11.496 ( 1.277 0.759 0.983) 1.781 14.757 ( 0.879 -0.088 -0.169) 0.899 15.084 ( 0.147 -0.010 0.188) 0.239 15.158 ( -1.179 0.189 0.195) 1.210 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 17.829 -5.538 -5.680) 19.514 0.963 ( 21.815 -2.211 -3.263) 22.168 1.476 ( 0.666 -0.611 0.654) 1.116 1.534 ( 27.251 -13.789 -4.316) 30.844 1.900 ( 4.102 2.569 -2.635) 5.511 2.319 ( -1.309 -3.029 -1.317) 3.552 2.572 ( 3.935 0.132 -0.409) 3.958 2.688 ( -1.485 4.151 4.275) 6.141 2.724 ( 8.239 1.143 1.808) 8.513 2.954 ( -0.315 -1.634 -1.642) 2.337 3.013 ( 1.882 -0.306 0.596) 1.998 3.119 ( 3.696 -2.874 -0.702) 4.734 3.365 ( 0.923 1.392 -0.395) 1.716 3.580 ( -1.819 2.803 4.227) 5.388 3.768 ( -4.305 5.735 -4.204) 8.312 3.955 ( -0.224 -2.788 -1.104) 3.007 4.452 ( -3.455 4.563 0.710) 5.767 4.482 ( -5.141 0.665 0.534) 5.211 4.796 ( -6.635 -9.910 1.556) 12.027 4.956 ( -0.683 0.482 0.771) 1.137 4.996 ( -0.930 0.216 -2.124) 2.329 5.780 ( 0.037 -0.200 0.754) 0.781 5.909 ( -0.571 0.799 -0.129) 0.990 10.388 ( -0.327 0.412 -0.269) 0.591 10.658 ( -2.407 -0.024 0.476) 2.454 11.388 ( -1.529 -0.188 -0.806) 1.738 11.496 ( 1.442 1.034 0.946) 2.011 14.740 ( 1.195 -0.088 -0.197) 1.214 15.081 ( 0.263 -0.061 0.079) 0.281 15.181 ( -1.583 0.190 0.306) 1.624 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 17.279 13.893) 22.172 0.906 ( -0.000 12.095 15.918) 19.992 1.440 ( -0.000 13.544 9.066) 16.298 1.467 ( -0.000 12.551 9.938) 16.009 1.843 ( -0.000 0.366 0.691) 0.782 2.300 ( -0.000 -0.744 1.767) 1.917 2.304 ( 0.000 2.319 -8.815) 9.115 2.535 ( 0.000 0.372 -0.292) 0.473 2.683 ( -0.000 4.520 3.407) 5.660 2.948 ( 0.000 0.331 -1.951) 1.979 3.057 ( -0.000 0.509 6.588) 6.607 3.157 ( -0.000 1.582 1.231) 2.004 3.399 ( -0.000 -2.067 1.361) 2.475 3.847 ( 0.000 -11.132 3.626) 11.707 3.861 ( 0.000 -4.196 1.488) 4.452 3.913 ( 0.000 -6.070 1.909) 6.363 4.127 ( -0.000 -0.805 2.066) 2.217 4.619 ( 0.000 -5.626 -2.488) 6.152 4.874 ( 0.000 3.620 -3.198) 4.830 5.022 ( -0.000 -2.348 1.708) 2.903 5.189 ( 0.000 11.538 -16.535) 20.163 5.781 ( -0.000 -0.185 0.138) 0.231 5.858 ( 0.000 -0.794 -2.301) 2.434 10.407 ( -0.000 -0.901 1.088) 1.413 10.670 ( 0.000 -0.029 -2.873) 2.874 11.297 ( -0.000 2.270 -0.152) 2.275 11.524 ( -0.000 -3.028 2.189) 3.736 14.730 ( -0.000 0.223 1.054) 1.077 15.071 ( 0.000 0.309 -0.398) 0.504 15.189 ( 0.000 -0.416 -1.519) 1.574 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.649 10.846 10.863) 15.439 1.188 ( -2.664 14.379 12.090) 18.974 1.461 ( 0.105 2.651 -1.895) 3.261 1.857 ( -1.925 2.400 3.185) 4.428 1.958 ( -9.512 21.541 9.764) 25.491 2.248 ( 2.024 1.668 -5.101) 5.736 2.367 ( -6.638 1.298 -0.774) 6.808 2.521 ( -0.340 -1.821 -1.621) 2.461 2.779 ( 2.034 6.530 6.635) 9.528 2.948 ( -0.605 1.301 -1.705) 2.228 3.112 ( 1.967 0.760 5.844) 6.213 3.184 ( -1.552 1.583 0.291) 2.236 3.371 ( 0.881 -3.025 1.205) 3.373 3.668 ( 10.778 -5.143 1.808) 12.078 3.755 ( 0.845 -6.917 1.639) 7.159 3.961 ( -6.946 -5.721 1.073) 9.063 4.178 ( -4.190 0.120 0.034) 4.192 4.501 ( 2.690 -7.383 -2.081) 8.128 4.886 ( 0.749 3.145 -3.484) 4.753 5.005 ( -1.228 -3.319 0.631) 3.595 5.118 ( 5.864 3.785 -10.650) 12.734 5.774 ( 0.848 0.519 -0.125) 1.002 5.845 ( -1.204 -0.843 -1.544) 2.131 10.402 ( 0.252 -1.012 1.005) 1.448 10.642 ( 0.605 -0.017 -2.775) 2.840 11.345 ( -2.337 2.786 -0.275) 3.647 11.494 ( 1.057 -2.978 1.465) 3.483 14.744 ( -0.359 0.261 0.998) 1.092 15.073 ( -0.120 0.384 -0.400) 0.567 15.169 ( 0.380 -0.455 -1.355) 1.479 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.603 5.432 2.224) 5.901 1.451 ( -0.250 9.535 4.779) 10.669 1.512 ( 0.035 8.939 4.225) 9.887 1.890 ( -1.054 -1.817 1.743) 2.730 2.199 ( 2.509 0.477 -1.727) 3.083 2.380 ( -6.827 8.847 7.747) 13.597 2.443 ( -4.153 -1.576 -2.355) 5.028 2.546 ( -8.003 9.423 -4.091) 13.022 2.864 ( 5.254 5.778 4.483) 9.005 2.971 ( -1.389 2.704 0.551) 3.090 3.102 ( 2.497 -1.659 2.697) 4.032 3.245 ( -0.963 1.941 3.185) 3.852 3.337 ( 0.609 -2.100 1.453) 2.625 3.525 ( 6.189 -1.079 -0.774) 6.330 3.696 ( -0.462 -3.427 -0.038) 3.459 3.960 ( -2.997 -6.423 1.360) 7.217 4.202 ( -0.770 -0.724 -1.782) 2.071 4.361 ( 2.118 -7.647 -1.337) 8.047 4.875 ( 1.114 1.741 -3.041) 3.677 4.985 ( -0.311 -2.167 -0.516) 2.249 5.015 ( 2.090 -1.067 -4.240) 4.847 5.773 ( 0.594 0.776 0.081) 0.981 5.841 ( -0.613 -0.303 -0.680) 0.965 10.393 ( 0.401 -0.863 0.726) 1.196 10.615 ( 0.448 -0.023 -2.052) 2.101 11.407 ( -2.163 2.394 0.012) 3.227 11.454 ( 0.825 -2.558 0.337) 2.709 14.759 ( -0.372 0.217 0.701) 0.823 15.076 ( -0.141 0.352 -0.239) 0.448 15.150 ( 0.319 -0.336 -0.942) 1.050 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.717 3.303 -2.641) 4.564 1.536 ( 0.496 3.595 2.365) 4.331 1.629 ( 7.642 7.552 1.811) 10.896 1.861 ( 3.233 -3.088 2.444) 5.095 2.192 ( -2.029 0.490 2.617) 3.348 2.405 ( -2.922 -2.704 -4.571) 6.061 2.516 ( -1.241 1.211 0.577) 1.827 2.738 ( -0.805 5.675 -5.359) 7.847 2.863 ( 3.447 4.734 3.965) 7.072 3.060 ( 0.948 -2.559 4.758) 5.485 3.079 ( -2.429 3.613 2.511) 5.026 3.276 ( 1.805 -1.543 2.142) 3.198 3.335 ( 0.917 1.415 1.908) 2.547 3.460 ( 2.300 1.448 -3.213) 4.209 3.676 ( -1.075 -1.247 -1.678) 2.351 3.947 ( -1.892 -0.694 2.920) 3.548 4.161 ( 1.632 -1.491 -2.608) 3.419 4.269 ( -1.889 -5.179 -0.518) 5.537 4.864 ( -0.774 -0.852 -0.436) 1.231 4.948 ( 1.298 -1.081 -0.264) 1.709 4.980 ( -2.589 -2.466 -2.616) 4.431 5.776 ( 0.415 0.590 0.261) 0.767 5.846 ( -0.385 0.641 0.061) 0.751 10.383 ( 0.406 -0.472 0.327) 0.703 10.601 ( -0.329 -0.043 -1.038) 1.089 11.408 ( 0.503 -2.335 -0.055) 2.389 11.465 ( -1.467 1.963 -0.107) 2.453 14.768 ( -0.027 0.105 0.309) 0.327 15.081 ( -0.133 0.251 0.022) 0.284 15.140 ( -0.112 -0.121 -0.501) 0.527 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 7.294 -0.381 -1.829) 7.529 1.509 ( 14.793 -0.845 -1.024) 14.853 1.541 ( 3.433 -1.327 0.990) 3.811 1.824 ( 1.891 2.759 0.699) 3.417 2.246 ( 2.014 -4.808 2.175) 5.648 2.381 ( -4.940 -0.827 -3.854) 6.320 2.505 ( 2.398 1.372 -1.387) 3.091 2.681 ( 5.609 1.027 -1.471) 5.889 2.900 ( 5.381 3.179 2.450) 6.713 3.020 ( 0.163 -4.188 1.369) 4.409 3.159 ( 5.382 -3.055 1.714) 6.421 3.230 ( -3.256 2.213 1.523) 4.221 3.325 ( 2.166 -2.783 -0.009) 3.527 3.464 ( 1.619 6.375 -0.556) 6.601 3.655 ( -0.335 -0.799 -2.049) 2.225 4.050 ( -0.974 0.368 3.977) 4.111 4.124 ( -4.560 4.038 -3.268) 6.912 4.291 ( -6.505 -0.432 0.088) 6.520 4.855 ( -2.694 -4.976 0.608) 5.691 4.936 ( -0.342 -0.305 1.017) 1.116 4.967 ( -1.987 -1.306 -2.541) 3.480 5.780 ( 0.179 0.329 0.214) 0.432 5.866 ( -0.459 1.308 0.250) 1.408 10.378 ( 0.236 0.017 0.024) 0.238 10.607 ( -1.377 -0.052 -0.226) 1.396 11.380 ( -0.375 -1.753 -0.438) 1.845 11.496 ( -0.109 1.370 0.205) 1.390 14.766 ( 0.521 -0.022 0.034) 0.522 15.085 ( -0.030 0.112 0.105) 0.156 15.143 ( -0.785 0.102 -0.122) 0.801 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 15.650 -5.814 -0.000) 16.696 1.252 ( 19.088 -3.194 -0.000) 19.353 1.495 ( 1.057 -1.248 -0.000) 1.635 1.870 ( 1.157 5.570 0.000) 5.689 1.992 ( 17.361 -13.753 -0.000) 22.148 2.364 ( -0.463 -6.086 -0.000) 6.103 2.577 ( -3.852 7.451 0.000) 8.387 2.623 ( 4.318 0.426 -0.000) 4.339 2.838 ( 9.744 2.102 -0.000) 9.968 2.980 ( -0.375 -3.619 -0.000) 3.639 3.060 ( 3.533 -1.828 -0.000) 3.978 3.221 ( 4.706 -4.316 -0.000) 6.385 3.331 ( -2.381 2.940 0.000) 3.783 3.532 ( 0.400 6.353 0.000) 6.365 3.662 ( -1.697 2.235 0.000) 2.806 4.001 ( 0.938 -4.430 -0.000) 4.528 4.303 ( -8.623 5.859 0.000) 10.425 4.400 ( -6.079 3.147 0.000) 6.845 4.828 ( -5.425 -8.338 -0.000) 9.948 4.951 ( 0.192 0.822 0.000) 0.844 4.967 ( -2.130 -0.712 0.000) 2.246 5.783 ( -0.056 0.087 0.000) 0.104 5.889 ( -0.511 1.295 0.000) 1.392 10.379 ( -0.065 0.383 0.000) 0.388 10.630 ( -2.211 -0.043 0.000) 2.212 11.372 ( -1.213 -0.889 0.000) 1.504 11.505 ( 1.050 1.021 -0.000) 1.465 14.755 ( 1.008 -0.099 -0.000) 1.013 15.085 ( 0.155 -0.018 -0.000) 0.156 15.159 ( -1.399 0.233 0.000) 1.418 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 11.472 0.000 16.608) 20.186 0.917 ( 16.267 -0.000 15.630) 22.559 1.395 ( 20.596 -0.000 20.976) 29.397 1.433 ( 0.368 -0.000 -2.473) 2.500 1.948 ( 6.042 -0.000 3.443) 6.954 2.303 ( 2.018 -0.000 -8.735) 8.965 2.471 ( 10.220 -0.000 -3.954) 10.958 2.566 ( 0.913 0.000 2.554) 2.713 2.580 ( -0.873 0.000 -0.230) 0.903 2.962 ( 0.969 -0.000 -2.265) 2.463 3.063 ( 0.445 0.000 5.266) 5.284 3.113 ( -1.269 0.000 -0.112) 1.274 3.406 ( -1.091 0.000 2.396) 2.633 3.590 ( -10.503 0.000 -0.020) 10.504 3.972 ( -6.192 0.000 0.162) 6.194 4.002 ( 0.089 0.000 3.720) 3.721 4.408 ( 3.735 -0.000 -5.562) 6.700 4.553 ( -7.634 0.000 -2.150) 7.931 4.710 ( -0.662 -0.000 -2.328) 2.420 4.966 ( -0.669 0.000 0.629) 0.919 5.062 ( 0.387 0.000 2.475) 2.505 5.754 ( -0.482 -0.000 -0.582) 0.755 5.902 ( 0.254 -0.000 -2.263) 2.277 10.413 ( -0.560 0.000 1.000) 1.146 10.650 ( -1.242 -0.000 -2.207) 2.532 11.359 ( 4.596 -0.000 -1.892) 4.970 11.513 ( -3.137 0.000 1.705) 3.570 14.739 ( 0.789 0.000 0.856) 1.165 15.072 ( 0.307 -0.000 -0.364) 0.476 15.180 ( -0.953 -0.000 -1.262) 1.581 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 14.659 13.028) 19.612 1.156 ( -0.000 7.392 16.159) 17.769 1.413 ( 0.000 2.183 -2.337) 3.198 1.759 ( -0.000 14.198 13.131) 19.339 1.810 ( 0.000 1.186 -4.499) 4.652 2.145 ( 0.000 8.006 -7.772) 11.158 2.351 ( -0.000 -1.699 4.124) 4.460 2.539 ( 0.000 -2.057 0.601) 2.143 2.780 ( -0.000 4.658 7.434) 8.773 2.915 ( 0.000 0.940 -2.013) 2.222 3.142 ( 0.000 1.510 -3.036) 3.391 3.151 ( -0.000 2.033 4.975) 5.374 3.435 ( -0.000 -3.187 3.608) 4.814 3.865 ( 0.000 -8.303 -0.405) 8.313 3.887 ( 0.000 -4.297 1.617) 4.591 3.929 ( 0.000 -7.249 -1.830) 7.477 4.130 ( -0.000 2.078 -0.163) 2.084 4.584 ( 0.000 -5.523 -1.838) 5.821 4.787 ( 0.000 6.895 -6.747) 9.647 5.042 ( 0.000 3.760 -3.733) 5.299 5.044 ( 0.000 -3.165 1.016) 3.324 5.785 ( -0.000 -0.327 0.253) 0.413 5.822 ( 0.000 0.048 -2.061) 2.062 10.424 ( -0.000 -1.006 1.024) 1.435 10.625 ( 0.000 -0.064 -2.595) 2.596 11.294 ( -0.000 2.418 -0.147) 2.422 11.549 ( 0.000 -2.775 1.103) 2.986 14.747 ( -0.000 0.187 0.999) 1.016 15.064 ( 0.000 0.321 -0.417) 0.526 15.165 ( 0.000 -0.321 -1.343) 1.381 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.298 2.067 7.346) 7.637 1.356 ( -1.167 13.022 8.844) 15.784 1.445 ( -0.883 4.856 0.495) 4.961 1.826 ( -4.665 1.490 -4.821) 6.872 2.061 ( -10.028 19.475 -1.723) 21.973 2.232 ( 3.797 7.681 6.108) 10.522 2.384 ( -4.168 -0.540 2.446) 4.863 2.503 ( 0.022 -4.046 -0.849) 4.134 2.877 ( 2.437 5.541 4.634) 7.623 2.925 ( -0.779 1.935 -0.985) 2.307 3.126 ( 1.234 1.769 -2.160) 3.052 3.226 ( -0.903 3.260 3.677) 4.997 3.410 ( 1.015 -4.543 3.672) 5.929 3.673 ( 10.883 -5.050 -1.535) 12.095 3.759 ( 1.566 -6.049 -0.417) 6.262 3.977 ( -8.684 -6.660 0.320) 10.949 4.170 ( -1.108 1.664 -0.350) 2.030 4.474 ( 2.572 -7.195 -1.187) 7.732 4.809 ( 0.190 5.065 -4.848) 7.013 5.009 ( -1.146 -4.374 -0.004) 4.522 5.026 ( 2.189 0.600 -2.267) 3.208 5.777 ( 0.835 0.328 0.396) 0.981 5.822 ( -0.948 0.258 -1.275) 1.609 10.416 ( 0.334 -1.120 0.706) 1.365 10.604 ( 0.230 -0.071 -1.849) 1.865 11.341 ( -1.983 3.081 -0.136) 3.666 11.511 ( 1.081 -3.360 0.657) 3.590 14.758 ( -0.220 0.215 0.693) 0.758 15.067 ( -0.203 0.407 -0.283) 0.535 15.150 ( 0.236 -0.344 -0.903) 0.995 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 1.241 1.429 -0.116) 1.896 1.499 ( -0.060 4.822 1.679) 5.106 1.593 ( 1.683 12.069 3.944) 12.808 1.873 ( -4.887 0.270 -2.395) 5.449 2.236 ( 4.748 0.691 4.572) 6.628 2.389 ( -5.058 -0.457 -4.076) 6.512 2.473 ( -4.650 8.099 2.922) 9.785 2.493 ( -5.374 6.241 -1.418) 8.357 2.894 ( 4.792 3.370 0.385) 5.871 2.990 ( -3.230 4.506 0.636) 5.581 3.128 ( 1.208 0.739 1.091) 1.787 3.296 ( -0.325 2.429 2.309) 3.367 3.371 ( 1.647 -1.813 2.461) 3.472 3.495 ( 7.513 -2.113 -2.486) 8.191 3.686 ( 0.278 -3.358 -0.629) 3.428 3.983 ( -4.291 -6.800 0.926) 8.094 4.173 ( 1.193 0.165 -1.250) 1.736 4.346 ( 1.997 -7.342 -0.467) 7.623 4.835 ( -0.785 2.811 -1.447) 3.258 4.974 ( -2.397 -4.643 -0.854) 5.294 4.981 ( 2.238 -0.901 -0.430) 2.451 5.778 ( 0.522 0.556 0.309) 0.822 5.830 ( -0.519 0.771 -0.463) 1.038 10.401 ( 0.560 -0.933 0.301) 1.129 10.591 ( -0.085 -0.070 -0.823) 0.830 11.407 ( -2.312 2.935 -0.005) 3.736 11.457 ( 1.178 -3.361 0.102) 3.563 14.767 ( -0.176 0.176 0.286) 0.379 15.074 ( -0.299 0.383 -0.068) 0.491 15.139 ( 0.156 -0.249 -0.405) 0.500 ======================= Grid point 119 (52/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 2.091 2.689 0.000) 3.406 1.555 ( 0.542 3.572 0.000) 3.613 1.644 ( 9.221 5.379 -0.000) 10.675 1.877 ( 1.784 -3.056 -0.000) 3.538 2.251 ( -1.728 4.123 0.000) 4.470 2.332 ( -1.165 -5.307 -0.000) 5.434 2.525 ( 0.458 0.241 -0.000) 0.517 2.688 ( -1.200 5.185 0.000) 5.322 2.897 ( 2.850 5.915 0.000) 6.566 3.086 ( 0.135 -2.024 -0.000) 2.029 3.116 ( -4.531 2.289 0.000) 5.077 3.288 ( 4.707 -1.813 -0.000) 5.044 3.393 ( 2.358 -1.916 -0.000) 3.039 3.395 ( 1.586 6.222 0.000) 6.421 3.659 ( -0.695 -1.698 -0.000) 1.835 3.978 ( -2.934 0.213 0.000) 2.942 4.134 ( 2.110 -1.979 -0.000) 2.893 4.265 ( -2.023 -4.955 -0.000) 5.352 4.864 ( -1.855 -0.745 0.000) 1.999 4.950 ( 1.127 -0.280 -0.000) 1.162 4.952 ( -2.943 -3.927 -0.000) 4.908 5.779 ( 0.360 0.476 0.000) 0.597 5.846 ( -0.345 1.173 0.000) 1.223 10.386 ( 0.546 -0.503 -0.000) 0.742 10.593 ( -0.716 -0.069 0.000) 0.719 11.407 ( 0.601 -2.816 -0.000) 2.879 11.464 ( -1.524 2.252 0.000) 2.719 14.770 ( 0.106 0.083 -0.000) 0.135 15.081 ( -0.228 0.268 0.000) 0.352 15.135 ( -0.236 -0.076 0.000) 0.248 ======================= Grid point 123 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 6.112 -1.913 13.543) 14.981 1.238 ( 15.941 0.586 13.057) 20.614 1.428 ( 1.295 -0.618 -2.201) 2.627 1.868 ( 18.579 -9.007 12.517) 24.145 2.040 ( 5.204 1.816 3.355) 6.452 2.277 ( 5.750 -1.765 -10.827) 12.386 2.538 ( -2.707 -0.896 3.006) 4.143 2.575 ( 6.155 -1.482 -2.865) 6.949 2.633 ( 4.313 1.075 1.754) 4.778 2.954 ( 0.696 -0.068 -3.020) 3.100 3.070 ( -2.095 0.354 -1.067) 2.378 3.128 ( 0.002 -2.580 3.660) 4.478 3.403 ( -0.781 1.295 1.999) 2.507 3.461 ( -7.773 0.114 -2.105) 8.053 3.850 ( -5.208 4.149 -1.126) 6.753 4.044 ( 0.817 -0.232 4.117) 4.203 4.386 ( -1.519 4.317 -3.265) 5.622 4.437 ( -5.406 -0.071 -1.934) 5.742 4.714 ( -1.553 -5.416 -2.416) 6.130 4.959 ( -1.096 0.323 0.755) 1.370 5.077 ( -0.231 0.781 2.111) 2.263 5.752 ( 0.513 -0.218 -0.279) 0.624 5.875 ( -0.929 0.425 -2.529) 2.728 10.407 ( -0.896 0.445 0.761) 1.257 10.622 ( -0.583 0.003 -1.440) 1.554 11.404 ( 3.584 -0.325 -0.965) 3.726 11.484 ( -2.428 0.638 1.468) 2.908 14.755 ( 0.642 -0.059 0.608) 0.887 15.074 ( 0.350 -0.058 -0.251) 0.435 15.159 ( -0.754 0.092 -0.934) 1.204 ======================= Grid point 124 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 11.883 0.000 16.466) 20.307 1.188 ( 12.218 0.000 18.465) 22.142 1.393 ( 0.537 -0.000 -2.382) 2.442 1.666 ( 10.819 -0.000 9.580) 14.451 1.986 ( 9.480 -0.000 3.556) 10.125 2.086 ( 4.693 -0.000 -16.984) 17.621 2.449 ( 5.751 -0.000 0.787) 5.805 2.609 ( 3.420 -0.000 2.453) 4.209 2.653 ( -5.075 0.000 7.602) 9.140 2.922 ( 0.694 -0.000 -2.831) 2.915 3.080 ( -2.688 -0.000 -3.795) 4.650 3.136 ( 0.883 0.000 3.837) 3.937 3.450 ( -1.640 0.000 3.407) 3.781 3.596 ( -12.735 0.000 0.357) 12.740 3.938 ( -6.160 0.000 -4.198) 7.454 4.066 ( 0.434 0.000 3.996) 4.020 4.321 ( 7.933 -0.000 -4.811) 9.278 4.519 ( -7.380 0.000 -1.984) 7.642 4.674 ( -0.307 -0.000 -2.127) 2.149 4.978 ( -0.685 0.000 0.754) 1.019 5.096 ( 0.533 0.000 1.677) 1.760 5.752 ( -0.772 0.000 0.423) 0.880 5.858 ( 0.505 -0.000 -3.121) 3.162 10.428 ( -0.774 0.000 0.863) 1.159 10.616 ( -0.485 -0.000 -1.939) 1.998 11.335 ( 4.434 -0.000 -1.156) 4.582 11.540 ( -2.897 0.000 1.514) 3.269 14.753 ( 0.519 0.000 0.800) 0.954 15.067 ( 0.420 -0.000 -0.316) 0.525 15.160 ( -0.613 -0.000 -1.167) 1.319 ======================= Grid point 126 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.000 13.735 6.442) 15.170 1.383 ( 0.000 -0.260 0.758) 0.801 1.402 ( -0.000 0.925 11.344) 11.382 1.734 ( 0.000 1.480 -3.743) 4.025 1.748 ( 0.000 13.686 -9.383) 16.593 2.162 ( 0.000 13.677 5.151) 14.615 2.405 ( 0.000 -2.324 2.106) 3.136 2.547 ( 0.000 -3.586 0.239) 3.594 2.882 ( -0.000 2.596 4.524) 5.216 2.891 ( 0.000 1.510 -0.838) 1.727 3.081 ( 0.000 2.558 -3.440) 4.287 3.205 ( -0.000 2.801 1.801) 3.330 3.508 ( 0.000 -4.308 4.584) 6.290 3.812 ( -0.000 -7.082 -5.531) 8.985 3.892 ( -0.000 -4.451 -0.748) 4.514 3.907 ( -0.000 -4.344 0.738) 4.406 4.144 ( 0.000 2.254 1.058) 2.490 4.564 ( -0.000 -5.459 -0.658) 5.499 4.707 ( -0.000 6.045 -2.748) 6.640 5.016 ( -0.000 1.284 -0.475) 1.369 5.054 ( 0.000 -3.794 0.288) 3.805 5.788 ( -0.000 -0.337 0.121) 0.358 5.799 ( 0.000 0.684 -0.821) 1.069 10.436 ( 0.000 -1.032 0.416) 1.113 10.595 ( 0.000 -0.088 -1.046) 1.050 11.292 ( -0.000 2.516 -0.062) 2.517 11.560 ( 0.000 -2.772 0.357) 2.795 14.759 ( 0.000 0.160 0.417) 0.446 15.059 ( 0.000 0.332 -0.185) 0.380 15.150 ( -0.000 -0.256 -0.532) 0.591 ======================= Grid point 127 (56/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.599 -2.924 -0.000) 3.333 1.450 ( -1.450 14.581 0.000) 14.653 1.454 ( -0.144 3.550 0.000) 3.553 1.771 ( -4.581 1.996 0.000) 4.997 2.023 ( -11.671 20.896 0.000) 23.935 2.303 ( 4.622 6.890 0.000) 8.296 2.413 ( -3.660 1.115 0.000) 3.826 2.494 ( 0.292 -4.987 -0.000) 4.996 2.909 ( 2.591 2.395 -0.000) 3.529 2.919 ( -1.196 2.699 0.000) 2.952 3.105 ( 0.617 4.016 0.000) 4.063 3.257 ( -0.734 3.614 0.000) 3.688 3.455 ( 1.592 -5.427 -0.000) 5.656 3.643 ( 9.435 -4.646 -0.000) 10.517 3.756 ( 2.878 -5.303 -0.000) 6.034 3.976 ( -9.721 -6.536 0.000) 11.714 4.169 ( 0.674 1.855 0.000) 1.974 4.465 ( 2.544 -7.101 -0.000) 7.543 4.768 ( -0.745 4.998 0.000) 5.053 5.008 ( -1.209 -5.051 -0.000) 5.193 5.012 ( 1.648 0.089 -0.000) 1.651 5.782 ( 0.527 0.081 -0.000) 0.533 5.810 ( -0.554 0.913 0.000) 1.068 10.422 ( 0.378 -1.148 -0.000) 1.209 10.589 ( 0.072 -0.096 -0.000) 0.120 11.340 ( -1.867 3.184 0.000) 3.691 11.516 ( 1.055 -3.510 -0.000) 3.665 14.764 ( -0.159 0.195 0.000) 0.251 15.065 ( -0.260 0.418 0.000) 0.492 15.143 ( 0.196 -0.299 -0.000) 0.358 ======================= Grid point 133 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.868 -0.077 4.178) 5.694 1.445 ( 1.840 -1.611 1.231) 2.738 1.525 ( 13.972 1.663 9.383) 16.912 2.014 ( -1.303 7.970 6.679) 10.480 2.142 ( 4.299 -2.385 -7.478) 8.950 2.430 ( 11.100 -8.812 -0.571) 14.185 2.538 ( -5.619 -3.004 4.872) 8.021 2.646 ( 4.304 -1.011 -2.602) 5.130 2.690 ( 8.267 2.600 0.224) 8.669 2.944 ( 0.649 -2.570 -2.603) 3.715 3.031 ( -2.454 -1.469 -2.069) 3.530 3.193 ( -0.897 -1.818 5.568) 5.926 3.364 ( -3.489 -1.117 -2.721) 4.564 3.393 ( -0.374 0.558 -0.671) 0.950 3.748 ( -2.744 2.827 -1.691) 4.287 4.078 ( 0.440 2.271 3.785) 4.436 4.244 ( -5.771 3.939 -2.306) 7.358 4.348 ( -4.515 2.718 -1.743) 5.550 4.777 ( 1.615 -6.825 -0.136) 7.014 4.947 ( -0.617 0.670 0.760) 1.186 5.070 ( -1.074 1.129 1.064) 1.887 5.764 ( 0.898 -0.065 0.193) 0.920 5.837 ( -1.307 -0.093 -2.168) 2.533 10.393 ( -1.038 0.523 0.368) 1.219 10.614 ( 0.574 0.031 -0.432) 0.719 11.436 ( 0.472 0.204 0.946) 1.077 11.465 ( 0.213 0.291 -0.261) 0.445 14.764 ( 0.142 -0.021 0.233) 0.274 15.079 ( 0.391 -0.043 0.017) 0.394 15.146 ( -0.199 0.010 -0.517) 0.554 ======================= Grid point 134 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.515 2.866 7.088) 7.663 1.408 ( 1.940 -1.642 2.489) 3.557 1.464 ( 13.660 2.763 15.320) 20.711 1.929 ( 11.934 -6.027 -6.902) 15.046 2.091 ( 13.539 -9.166 -9.536) 18.927 2.125 ( 4.309 2.875 6.861) 8.597 2.528 ( 6.634 0.210 -0.264) 6.643 2.650 ( -3.370 -0.172 5.874) 6.774 2.665 ( 1.723 0.637 3.151) 3.648 2.896 ( -1.183 -1.234 -4.351) 4.675 3.021 ( -2.443 -1.435 -3.295) 4.346 3.191 ( 1.560 -2.266 2.879) 3.982 3.428 ( -6.105 0.917 0.104) 6.175 3.450 ( -6.487 1.255 1.506) 6.777 3.812 ( -4.497 2.808 -3.111) 6.147 4.105 ( 0.864 -0.159 3.309) 3.424 4.336 ( 1.094 5.772 -2.756) 6.489 4.411 ( -5.951 -0.284 -1.189) 6.075 4.684 ( 0.005 -5.001 -1.298) 5.167 4.971 ( -0.929 0.455 0.638) 1.216 5.102 ( -0.123 1.253 1.034) 1.629 5.756 ( 0.350 -0.172 0.751) 0.847 5.832 ( -0.700 -0.032 -2.680) 2.770 10.417 ( -1.172 0.460 0.491) 1.352 10.603 ( 0.342 0.017 -0.939) 1.000 11.388 ( 4.178 -0.608 -0.782) 4.293 11.508 ( -2.739 0.904 1.220) 3.132 14.763 ( 0.315 -0.040 0.411) 0.519 15.072 ( 0.538 -0.075 -0.070) 0.547 15.145 ( -0.397 0.051 -0.714) 0.818 ======================= Grid point 135 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 1.086 -0.000 -0.810) 1.355 1.423 ( 15.956 0.000 13.954) 21.197 1.492 ( 9.224 -0.000 19.139) 21.246 1.646 ( 3.671 0.000 -8.582) 9.334 1.800 ( 5.979 0.000 -18.937) 19.859 2.083 ( 9.722 0.000 5.370) 11.106 2.471 ( 3.066 0.000 1.147) 3.274 2.640 ( 3.529 0.000 1.185) 3.723 2.776 ( -5.093 0.000 7.133) 8.765 2.873 ( -1.129 0.000 -3.562) 3.737 3.014 ( -2.061 0.000 -3.398) 3.974 3.178 ( 0.772 0.000 1.333) 1.540 3.513 ( -3.595 0.000 4.177) 5.511 3.586 ( -12.025 0.000 -1.970) 12.185 3.867 ( -4.913 -0.000 -3.318) 5.928 4.115 ( 0.404 -0.000 1.816) 1.860 4.270 ( 9.660 -0.000 -1.547) 9.783 4.496 ( -7.162 0.000 -0.875) 7.215 4.649 ( -0.062 -0.000 -0.893) 0.896 4.987 ( -0.618 -0.000 0.325) 0.698 5.114 ( 0.576 0.000 0.578) 0.816 5.767 ( -0.788 0.000 1.264) 1.489 5.812 ( 0.438 0.000 -2.350) 2.390 10.438 ( -0.920 0.000 0.337) 0.980 10.594 ( 0.032 0.000 -0.766) 0.766 11.323 ( 4.130 0.000 -0.384) 4.148 11.557 ( -2.569 0.000 0.581) 2.634 14.762 ( 0.322 -0.000 0.329) 0.461 15.063 ( 0.559 -0.000 -0.107) 0.569 15.146 ( -0.436 0.000 -0.492) 0.657 ======================= Grid point 143 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.180 2.155 -2.138) 3.737 1.504 ( 1.792 -1.167 2.310) 3.148 1.668 ( 6.878 9.277 3.707) 12.129 1.902 ( -4.717 9.064 3.281) 10.732 2.160 ( 2.558 -5.502 -3.692) 7.102 2.514 ( -6.676 -0.508 1.582) 6.879 2.548 ( 1.965 -0.867 -0.687) 2.255 2.641 ( 1.445 2.952 -3.217) 4.599 2.776 ( 5.363 0.812 -2.749) 6.081 3.004 ( -3.325 -2.103 -0.972) 4.052 3.057 ( 5.112 -6.317 4.823) 9.450 3.198 ( -4.374 -0.582 1.921) 4.813 3.331 ( -0.843 2.091 -1.674) 2.808 3.414 ( 2.123 -4.100 -2.235) 5.129 3.665 ( -3.555 1.929 -2.371) 4.688 4.028 ( -1.893 5.767 2.945) 6.746 4.174 ( 0.317 0.697 -1.066) 1.313 4.271 ( -3.891 -2.200 -0.534) 4.502 4.905 ( 5.387 -4.444 2.654) 7.471 4.942 ( 0.323 0.190 0.426) 0.568 5.042 ( -1.521 0.785 -0.505) 1.785 5.778 ( 0.821 0.079 0.519) 0.975 5.816 ( -0.913 -1.168 -1.341) 1.999 10.376 ( -0.877 0.285 -0.001) 0.922 10.629 ( 1.740 0.034 0.329) 1.772 11.426 ( -1.109 0.855 0.804) 1.615 11.475 ( 0.836 -0.003 -0.411) 0.931 14.762 ( -0.482 0.100 -0.072) 0.497 15.085 ( 0.363 0.044 0.193) 0.414 15.146 ( 0.499 -0.213 -0.117) 0.555 ======================= Grid point 144 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.934 3.149 0.473) 3.319 1.469 ( 2.199 -1.469 1.428) 3.006 1.693 ( 11.627 6.298 10.095) 16.636 1.981 ( 3.869 -6.198 -9.998) 12.383 2.103 ( -2.378 8.447 3.369) 9.400 2.411 ( 10.363 -11.922 -1.643) 15.882 2.589 ( 1.763 1.286 2.122) 3.044 2.654 ( -5.051 -2.018 1.098) 5.549 2.678 ( 7.802 6.002 -0.781) 9.875 2.921 ( 1.907 -8.507 -0.565) 8.736 3.004 ( -1.881 -2.568 -0.817) 3.286 3.273 ( 1.569 -2.506 3.259) 4.400 3.319 ( -5.862 -1.404 -1.745) 6.275 3.388 ( -2.914 2.618 -0.521) 3.951 3.719 ( -2.464 2.700 -1.332) 3.891 4.136 ( 0.432 1.549 3.169) 3.554 4.204 ( -4.153 5.786 -2.584) 7.577 4.328 ( -4.546 2.185 -0.669) 5.088 4.779 ( 3.259 -7.363 0.140) 8.053 4.957 ( -0.435 0.901 0.388) 1.073 5.079 ( -1.122 1.997 0.194) 2.299 5.772 ( 0.774 -0.063 0.647) 1.011 5.807 ( -1.097 -0.752 -1.435) 1.956 10.397 ( -1.289 0.579 0.148) 1.421 10.609 ( 1.355 0.039 -0.177) 1.367 11.440 ( 2.863 -0.613 -0.112) 2.930 11.469 ( -2.018 1.286 0.387) 2.424 14.767 ( -0.127 0.004 0.092) 0.157 15.080 ( 0.540 -0.062 0.081) 0.550 15.139 ( 0.101 -0.049 -0.274) 0.296 ======================= Grid point 145 (62/125) ======================= q-point: (-0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.883 0.642 -0.000) 1.092 1.482 ( -1.752 4.611 0.000) 4.933 1.667 ( 17.177 9.990 -0.000) 19.871 1.776 ( 3.231 -8.297 -0.000) 8.904 2.006 ( 19.602 -17.311 -0.000) 26.152 2.191 ( 3.453 2.826 -0.000) 4.462 2.532 ( 6.501 0.182 -0.000) 6.504 2.672 ( 4.668 4.527 -0.000) 6.503 2.741 ( -6.967 -0.811 0.000) 7.014 2.838 ( -2.305 -4.040 -0.000) 4.651 2.993 ( -1.336 -1.702 -0.000) 2.163 3.212 ( 1.388 -2.819 -0.000) 3.142 3.426 ( -9.526 0.821 0.000) 9.561 3.470 ( -4.264 2.049 0.000) 4.731 3.781 ( -3.783 2.184 0.000) 4.368 4.134 ( 0.774 -0.595 -0.000) 0.977 4.311 ( 1.967 6.966 0.000) 7.238 4.401 ( -5.985 -0.392 0.000) 5.998 4.674 ( 0.555 -5.093 -0.000) 5.123 4.976 ( -0.845 0.505 0.000) 0.985 5.110 ( -0.102 1.490 0.000) 1.493 5.768 ( 0.094 -0.043 -0.000) 0.103 5.804 ( -0.445 -0.357 0.000) 0.571 10.421 ( -1.275 0.466 0.000) 1.358 10.595 ( 0.700 0.024 -0.000) 0.701 11.382 ( 4.220 -0.700 -0.000) 4.277 11.518 ( -2.691 1.013 0.000) 2.875 14.767 ( 0.179 -0.033 -0.000) 0.182 15.072 ( 0.645 -0.084 -0.000) 0.651 15.139 ( -0.280 0.036 0.000) 0.282 ======================= Grid point 153 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -2.987 7.979 -2.334) 8.834 1.511 ( -2.166 12.037 1.341) 12.304 1.550 ( -0.555 6.118 -1.457) 6.314 1.794 ( -1.173 3.047 0.534) 3.309 2.291 ( 3.528 -8.099 1.326) 8.933 2.392 ( -6.768 6.779 -0.496) 9.592 2.539 ( -0.774 2.522 0.556) 2.696 2.615 ( 3.081 1.793 -4.642) 5.853 2.740 ( -2.586 5.952 0.237) 6.494 2.970 ( -5.102 -2.469 -0.908) 5.740 3.097 ( -4.419 3.896 1.652) 6.119 3.246 ( -0.720 -5.427 2.734) 6.119 3.307 ( 3.703 -0.307 0.218) 3.723 3.391 ( -1.750 3.289 -4.780) 6.060 3.605 ( -2.960 -1.660 -1.091) 3.565 4.033 ( -0.221 -3.895 3.506) 5.245 4.159 ( 1.108 2.103 -2.237) 3.264 4.302 ( -0.383 -7.254 0.287) 7.270 4.939 ( 0.577 0.924 0.718) 1.304 4.991 ( -1.799 0.362 0.028) 1.836 5.102 ( 11.611 -2.941 1.729) 12.102 5.791 ( 0.890 0.154 0.433) 1.002 5.821 ( -0.361 -2.229 -0.471) 2.307 10.366 ( -0.414 -0.141 -0.136) 0.458 10.660 ( 2.384 0.018 0.495) 2.435 11.410 ( -0.352 0.581 0.046) 0.680 11.469 ( -1.210 0.481 -0.033) 1.302 14.750 ( -0.912 0.242 -0.157) 0.957 15.089 ( 0.185 0.197 0.125) 0.298 15.161 ( 1.065 -0.491 0.138) 1.181 ======================= Grid point 154 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 1.308 3.151 0.000) 3.412 1.523 ( 2.098 -1.464 -0.000) 2.558 1.704 ( 3.654 13.576 0.000) 14.059 1.928 ( -6.684 7.662 0.000) 10.168 2.124 ( 5.832 -8.488 -0.000) 10.299 2.519 ( -1.322 2.217 0.000) 2.581 2.568 ( -2.786 -0.825 0.000) 2.905 2.591 ( -0.008 3.092 0.000) 3.092 2.761 ( 5.150 -0.081 -0.000) 5.150 2.990 ( -4.262 -3.957 0.000) 5.815 3.106 ( 5.828 -9.166 -0.000) 10.862 3.218 ( -4.883 3.193 0.000) 5.834 3.313 ( -1.990 2.269 0.000) 3.019 3.391 ( 2.341 -4.300 -0.000) 4.896 3.645 ( -3.655 2.137 0.000) 4.234 4.057 ( -2.027 5.312 0.000) 5.686 4.160 ( 1.266 1.358 -0.000) 1.856 4.267 ( -3.827 -2.830 0.000) 4.760 4.929 ( 7.224 -5.884 -0.000) 9.317 4.946 ( 0.291 0.962 0.000) 1.005 5.034 ( -2.039 1.779 0.000) 2.706 5.784 ( 0.841 0.184 -0.000) 0.861 5.803 ( -0.897 -1.717 -0.000) 1.937 10.376 ( -1.011 0.335 0.000) 1.065 10.632 ( 2.150 0.036 -0.000) 2.151 11.433 ( -1.284 1.226 0.000) 1.775 11.471 ( 1.021 -0.197 -0.000) 1.040 14.762 ( -0.617 0.117 0.000) 0.628 15.087 ( 0.390 0.044 -0.000) 0.393 15.145 ( 0.700 -0.266 -0.000) 0.749 ======================= Grid point 162 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -7.670 14.681 0.000) 16.564 1.226 ( -6.580 19.892 0.000) 20.952 1.526 ( 0.376 1.716 0.000) 1.756 1.788 ( 0.414 -0.494 -0.000) 0.644 2.130 ( -7.148 23.805 0.000) 24.855 2.374 ( -2.003 -1.946 0.000) 2.792 2.490 ( -11.238 3.065 0.000) 11.649 2.573 ( 5.894 -2.830 -0.000) 6.538 2.684 ( 3.309 4.413 0.000) 5.516 2.922 ( -6.045 -2.669 0.000) 6.608 3.022 ( -2.058 1.858 0.000) 2.773 3.243 ( -3.673 6.104 0.000) 7.124 3.277 ( -1.038 -2.552 -0.000) 2.755 3.448 ( 4.661 -5.691 -0.000) 7.357 3.606 ( 0.629 -2.456 -0.000) 2.535 4.088 ( -8.527 -8.793 0.000) 12.249 4.114 ( 0.784 4.679 0.000) 4.744 4.422 ( 3.289 -8.483 -0.000) 9.098 4.938 ( 0.305 0.978 0.000) 1.024 4.967 ( -1.634 -0.814 0.000) 1.826 5.330 ( 17.847 -1.070 -0.000) 17.879 5.805 ( 1.198 0.149 -0.000) 1.207 5.847 ( 0.018 -2.537 -0.000) 2.538 10.368 ( 0.151 -0.528 -0.000) 0.550 10.693 ( 2.175 0.020 -0.000) 2.175 11.406 ( 0.301 0.045 -0.000) 0.304 11.431 ( -3.305 0.822 0.000) 3.406 14.733 ( -0.942 0.331 0.000) 0.998 15.087 ( 0.008 0.332 0.000) 0.332 15.184 ( 1.152 -0.669 -0.000) 1.332 ======================= Grid point 171 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 17.951 0.000) 17.951 1.121 ( 0.000 22.156 0.000) 22.156 1.534 ( 0.000 1.807 0.000) 1.807 1.791 ( 0.000 1.001 0.000) 1.001 2.057 ( 0.000 37.518 0.000) 37.518 2.273 ( -0.000 -0.820 -0.000) 0.820 2.345 ( -0.000 -1.136 -0.000) 1.136 2.725 ( -0.000 -1.054 -0.000) 1.054 2.754 ( 0.000 8.640 0.000) 8.640 2.766 ( -0.000 -6.751 -0.000) 6.751 3.003 ( 0.000 0.974 0.000) 0.974 3.186 ( 0.000 5.333 0.000) 5.333 3.263 ( -0.000 -3.005 -0.000) 3.005 3.513 ( -0.000 -4.694 -0.000) 4.694 3.698 ( -0.000 -7.338 -0.000) 7.338 3.839 ( -0.000 -2.300 -0.000) 2.300 4.126 ( 0.000 5.227 0.000) 5.227 4.473 ( -0.000 -10.603 -0.000) 10.603 4.940 ( -0.000 -1.878 -0.000) 1.878 4.943 ( 0.000 1.919 0.000) 1.919 5.626 ( -0.000 -8.284 -0.000) 8.284 5.837 ( -0.000 -1.384 -0.000) 1.384 5.848 ( -0.000 -2.656 -0.000) 2.656 10.374 ( -0.000 -0.781 -0.000) 0.781 10.724 ( 0.000 0.013 0.000) 0.013 11.365 ( 0.000 3.182 0.000) 3.182 11.411 ( -0.000 -0.536 -0.000) 0.536 14.719 ( 0.000 0.398 0.000) 0.398 15.087 ( 0.000 0.460 0.000) 0.460 15.201 ( -0.000 -0.800 -0.000) 0.800 ======================= Grid point 172 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -2.868 15.221 4.096) 16.021 1.414 ( -3.633 20.252 2.621) 20.742 1.551 ( 0.413 1.772 -0.279) 1.841 1.804 ( 0.727 0.915 1.249) 1.710 2.273 ( -1.618 3.656 -0.633) 4.048 2.326 ( -0.948 -2.406 -0.363) 2.611 2.498 ( -2.867 18.128 -1.680) 18.430 2.622 ( 2.355 2.064 0.981) 3.282 2.768 ( -2.319 1.131 -2.452) 3.560 2.870 ( 1.495 2.941 8.263) 8.897 3.028 ( -1.049 3.026 -0.262) 3.213 3.199 ( -1.817 -2.243 -4.348) 5.218 3.301 ( -1.762 3.227 5.355) 6.495 3.443 ( 2.630 -4.282 1.046) 5.133 3.585 ( 1.896 -5.345 0.323) 5.681 3.893 ( -8.094 -1.335 -1.089) 8.275 4.184 ( 0.753 4.414 0.612) 4.519 4.325 ( 1.212 -11.743 -0.766) 11.830 4.929 ( -1.514 -1.431 -0.319) 2.108 4.962 ( 0.361 1.510 0.178) 1.562 5.425 ( 9.255 -9.582 -4.763) 14.148 5.815 ( 0.705 -0.295 -0.660) 1.010 5.816 ( -0.033 -2.597 0.141) 2.601 10.364 ( 0.165 -0.625 0.164) 0.667 10.712 ( 1.219 -0.022 -0.923) 1.529 11.405 ( -0.076 -0.140 0.106) 0.192 11.418 ( -1.839 2.259 0.318) 2.930 14.729 ( -0.517 0.377 0.290) 0.703 15.092 ( 0.059 0.427 -0.110) 0.445 15.185 ( 0.600 -0.750 -0.390) 1.037 ======================= Grid point 173 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.259 8.954 4.969) 10.243 1.544 ( 1.383 1.672 -1.633) 2.715 1.726 ( -2.917 16.678 3.768) 17.345 1.830 ( -0.456 4.582 0.987) 4.709 2.246 ( 4.532 -5.786 -1.144) 7.439 2.339 ( -5.255 0.394 -1.238) 5.413 2.519 ( -2.359 0.693 -2.637) 3.605 2.770 ( 5.464 2.539 3.345) 6.892 2.809 ( -2.306 6.925 3.587) 8.133 2.929 ( -0.162 1.431 3.798) 4.062 3.089 ( -2.101 3.144 -2.151) 4.350 3.163 ( -0.132 -3.623 -1.131) 3.798 3.340 ( 1.689 0.123 -0.164) 1.701 3.435 ( -0.321 -0.951 4.638) 4.746 3.553 ( -3.799 -0.962 2.010) 4.404 3.979 ( -3.807 5.090 -2.493) 6.828 4.176 ( -1.245 -10.315 -0.746) 10.417 4.215 ( 1.316 2.353 0.562) 2.754 4.935 ( -1.928 -0.256 -1.871) 2.699 4.974 ( -0.166 0.468 0.307) 0.584 5.139 ( 9.270 -9.569 -5.403) 14.377 5.793 ( -0.018 -1.554 0.554) 1.650 5.803 ( 0.291 -0.232 0.061) 0.377 10.361 ( -0.247 -0.281 0.316) 0.490 10.681 ( 1.882 -0.022 -1.429) 2.363 11.405 ( -0.497 -0.270 -0.360) 0.670 11.466 ( -1.252 1.649 0.229) 2.083 14.744 ( -0.737 0.274 0.430) 0.896 15.093 ( 0.232 0.292 -0.221) 0.433 15.165 ( 0.761 -0.527 -0.470) 1.038 ======================= Grid point 174 (69/125) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.372 2.284 3.367) 6.739 1.509 ( 3.079 -0.252 -1.745) 3.548 1.841 ( 6.827 6.675 -2.206) 9.799 1.978 ( 0.669 11.589 -2.578) 11.891 2.159 ( -1.997 0.293 3.078) 3.681 2.375 ( -4.692 -3.299 -2.709) 6.343 2.547 ( -1.541 -1.554 0.889) 2.362 2.750 ( 4.500 2.095 2.445) 5.534 2.885 ( 1.878 -0.059 4.488) 4.865 2.964 ( -0.311 -0.067 0.555) 0.640 3.045 ( 6.705 -4.936 1.582) 8.474 3.117 ( -3.506 0.121 -3.628) 5.047 3.344 ( 0.180 -2.234 1.087) 2.491 3.411 ( 1.152 -1.776 3.632) 4.204 3.670 ( -3.954 3.860 2.140) 5.925 4.036 ( -3.308 0.582 -1.436) 3.653 4.146 ( -1.547 0.046 -2.074) 2.588 4.252 ( -2.192 5.787 0.829) 6.244 4.863 ( 4.852 -9.693 -4.148) 11.606 4.941 ( -0.494 0.118 -1.626) 1.704 5.014 ( -2.172 -0.294 -0.633) 2.281 5.787 ( 0.552 0.105 0.279) 0.627 5.805 ( -0.781 -0.684 1.558) 1.872 10.368 ( -0.720 0.038 0.217) 0.753 10.646 ( 1.662 0.003 -1.293) 2.105 11.406 ( -1.150 -0.098 -1.383) 1.802 11.491 ( 0.182 0.819 0.544) 1.000 14.758 ( -0.536 0.131 0.341) 0.649 15.089 ( 0.397 0.130 -0.249) 0.486 15.149 ( 0.421 -0.236 -0.219) 0.530 ======================= Grid point 175 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 8.790 -0.741 -3.252) 9.402 1.463 ( 2.804 -0.203 0.414) 2.841 1.681 ( 15.963 1.538 -6.366) 17.255 2.060 ( -0.536 7.640 -5.171) 9.240 2.252 ( 6.276 4.963 1.198) 8.090 2.355 ( -6.653 -4.863 -5.051) 9.666 2.473 ( 5.880 -6.966 3.095) 9.627 2.747 ( 3.916 1.277 4.530) 6.123 2.783 ( 6.090 -1.681 -2.892) 6.949 2.980 ( 1.972 0.207 6.981) 7.257 3.024 ( -0.599 -0.033 3.816) 3.863 3.106 ( -1.660 -1.654 -5.899) 6.348 3.338 ( -2.157 -1.399 3.587) 4.413 3.418 ( 1.616 0.365 2.366) 2.888 3.745 ( -2.675 1.394 0.342) 3.036 4.081 ( 0.975 1.073 -3.582) 3.865 4.160 ( -8.997 -1.249 1.123) 9.153 4.399 ( -1.711 9.823 0.198) 9.973 4.689 ( -0.092 -9.683 -0.648) 9.705 4.939 ( -0.631 0.265 -1.402) 1.560 5.038 ( -2.626 0.127 -2.052) 3.335 5.779 ( 1.138 0.155 0.032) 1.149 5.835 ( -1.694 -0.041 2.607) 3.110 10.381 ( -0.956 0.162 -0.098) 0.974 10.623 ( 0.664 0.014 -0.571) 0.876 11.410 ( -1.655 0.001 -2.284) 2.820 11.492 ( 1.457 0.243 1.102) 1.843 14.765 ( 0.007 0.020 0.052) 0.056 15.084 ( 0.382 0.031 -0.048) 0.386 15.146 ( -0.173 -0.036 0.127) 0.218 ======================= Grid point 176 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 10.789 -0.000 -8.405) 13.677 1.368 ( 14.890 -0.000 -7.450) 16.649 1.475 ( 5.463 -0.000 0.031) 5.463 1.986 ( 17.919 -0.000 -11.054) 21.054 2.083 ( 6.187 -0.000 -4.544) 7.676 2.327 ( -1.868 -0.000 -2.965) 3.505 2.492 ( -1.984 0.000 8.727) 8.950 2.684 ( 4.994 -0.000 -2.809) 5.729 2.730 ( 8.060 -0.000 6.904) 10.613 2.995 ( 1.891 0.000 3.286) 3.791 3.053 ( -1.160 -0.000 -7.098) 7.192 3.079 ( -1.077 0.000 4.595) 4.720 3.390 ( -1.976 0.000 -0.542) 2.049 3.431 ( -0.799 0.000 5.639) 5.695 3.805 ( -5.259 0.000 -0.540) 5.287 4.023 ( 1.755 -0.000 -4.567) 4.893 4.309 ( -10.797 0.000 1.956) 10.973 4.463 ( 1.038 -0.000 0.760) 1.286 4.660 ( -3.328 0.000 1.444) 3.628 4.943 ( -0.998 0.000 -0.716) 1.228 5.048 ( -1.733 -0.000 -2.800) 3.293 5.766 ( 1.053 -0.000 0.500) 1.166 5.878 ( -1.647 0.000 2.189) 2.739 10.393 ( -0.885 0.000 -0.448) 0.992 10.622 ( -0.644 0.000 0.427) 0.773 11.412 ( -1.387 -0.000 -2.397) 2.769 11.482 ( 1.594 -0.000 1.556) 2.228 14.759 ( 0.615 -0.000 -0.291) 0.680 15.080 ( 0.296 -0.000 0.197) 0.356 15.154 ( -0.807 0.000 0.477) 0.937 ======================= Grid point 181 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.000 15.969 9.674) 18.671 1.174 ( -0.000 21.434 6.419) 22.375 1.527 ( 0.000 1.920 -0.949) 2.141 1.816 ( -0.000 0.796 2.858) 2.966 2.052 ( -0.000 32.267 0.548) 32.271 2.273 ( 0.000 -0.733 0.064) 0.735 2.382 ( -0.000 1.888 2.928) 3.484 2.618 ( 0.000 -0.133 -7.811) 7.812 2.736 ( -0.000 1.789 2.165) 2.809 2.926 ( -0.000 1.997 10.663) 10.849 2.996 ( 0.000 0.941 -0.847) 1.266 3.164 ( 0.000 0.411 -1.106) 1.180 3.325 ( -0.000 -0.463 4.483) 4.506 3.533 ( -0.000 -5.687 3.198) 6.525 3.703 ( 0.000 -7.431 0.628) 7.457 3.827 ( 0.000 -2.212 -1.302) 2.567 4.142 ( -0.000 4.205 1.709) 4.539 4.459 ( 0.000 -10.467 -1.667) 10.599 4.942 ( -0.000 1.928 -0.074) 1.930 4.944 ( 0.000 -2.360 0.443) 2.402 5.532 ( 0.000 -6.702 -12.002) 13.746 5.809 ( 0.000 0.501 -2.109) 2.168 5.844 ( 0.000 -2.251 -0.517) 2.310 10.376 ( 0.000 -0.759 0.307) 0.818 10.709 ( 0.000 0.014 -1.867) 1.867 11.366 ( -0.000 3.258 0.101) 3.259 11.426 ( -0.000 -1.442 1.686) 2.219 14.724 ( -0.000 0.383 0.610) 0.720 15.085 ( 0.000 0.463 -0.216) 0.511 15.194 ( 0.000 -0.750 -0.871) 1.150 ======================= Grid point 182 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -1.432 13.680 8.168) 15.997 1.485 ( -1.288 16.550 5.330) 17.435 1.545 ( -0.742 4.765 0.265) 4.830 1.839 ( 1.762 0.880 2.854) 3.467 2.270 ( -1.424 2.870 0.349) 3.223 2.310 ( -0.900 1.855 -1.151) 2.361 2.458 ( 1.267 3.906 -2.881) 5.016 2.616 ( -7.380 8.473 -1.584) 11.347 2.821 ( 1.824 6.721 7.901) 10.532 2.985 ( 2.432 -0.681 3.188) 4.067 3.036 ( 1.151 3.914 3.212) 5.193 3.153 ( -3.471 -2.310 -0.462) 4.195 3.347 ( 0.791 0.602 -0.119) 1.001 3.500 ( 1.454 -2.670 5.738) 6.494 3.597 ( 1.085 -5.654 1.323) 5.907 3.865 ( -6.593 -0.704 -2.033) 6.935 4.197 ( -0.072 2.822 0.792) 2.932 4.304 ( 0.977 -11.444 -1.709) 11.612 4.919 ( -0.723 -2.043 -0.963) 2.371 4.964 ( -0.295 1.107 0.053) 1.147 5.290 ( 7.412 -7.423 -11.511) 15.573 5.800 ( 0.510 0.437 -0.869) 1.098 5.821 ( -0.429 -1.847 0.372) 1.932 10.370 ( 0.125 -0.633 0.546) 0.845 10.685 ( 0.966 -0.007 -2.408) 2.594 11.409 ( -0.080 0.591 0.324) 0.679 11.425 ( -1.366 0.764 0.437) 1.625 14.737 ( -0.435 0.347 0.760) 0.942 15.089 ( 0.060 0.430 -0.298) 0.526 15.174 ( 0.448 -0.653 -0.988) 1.266 ======================= Grid point 183 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.931 8.936 4.337) 10.119 1.520 ( 2.207 1.434 -0.083) 2.634 1.787 ( 0.094 13.645 3.644) 14.124 1.853 ( 2.292 5.993 2.010) 6.723 2.200 ( 4.317 -3.732 -3.951) 6.941 2.343 ( -3.466 -1.271 1.558) 4.007 2.501 ( -4.686 1.624 -0.141) 4.962 2.776 ( -3.446 2.418 1.310) 4.409 2.918 ( 3.261 1.530 1.946) 4.094 2.971 ( 1.744 3.585 4.739) 6.193 3.058 ( -0.570 1.135 -1.223) 1.763 3.177 ( 1.800 -2.042 3.533) 4.460 3.340 ( -0.162 1.416 0.070) 1.427 3.487 ( 1.369 -3.090 1.822) 3.839 3.607 ( -4.089 0.165 4.255) 5.904 3.937 ( -2.640 5.684 -2.393) 6.708 4.163 ( -1.645 -9.523 -0.832) 9.700 4.217 ( 0.462 1.058 -0.523) 1.268 4.897 ( -1.216 -1.610 -2.937) 3.563 4.973 ( 0.686 -0.422 -0.496) 0.946 5.035 ( 4.379 -7.041 -7.067) 10.895 5.793 ( 0.726 0.462 -0.221) 0.888 5.818 ( -0.656 -0.980 1.341) 1.786 10.368 ( -0.098 -0.336 0.576) 0.674 10.651 ( 1.216 -0.008 -2.294) 2.597 11.397 ( -0.173 -1.192 -0.593) 1.343 11.470 ( -1.181 1.961 0.274) 2.305 14.753 ( -0.518 0.236 0.680) 0.887 15.089 ( 0.208 0.294 -0.300) 0.468 15.155 ( 0.401 -0.406 -0.768) 0.957 ======================= Grid point 184 (75/125) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 7.096 1.662 -1.835) 7.516 1.516 ( 4.949 -0.133 3.688) 6.173 1.811 ( 13.268 4.719 -2.121) 14.241 1.920 ( 1.978 8.724 -3.350) 9.552 2.190 ( -5.050 3.491 1.089) 6.235 2.354 ( -1.616 -4.104 -0.573) 4.448 2.557 ( -1.261 -0.682 0.005) 1.433 2.808 ( 2.936 -0.587 3.622) 4.699 2.859 ( 0.986 -2.982 -3.037) 4.369 3.002 ( 2.826 2.180 -0.693) 3.636 3.081 ( 1.601 1.548 5.284) 5.734 3.138 ( 1.551 -4.607 5.205) 7.121 3.342 ( -0.473 -1.336 -1.255) 1.893 3.468 ( 1.473 0.153 3.647) 3.936 3.695 ( -2.517 1.867 0.326) 3.150 4.017 ( -2.627 3.887 -0.449) 4.713 4.122 ( -2.638 -3.469 -1.065) 4.486 4.251 ( -3.334 5.932 -0.882) 6.862 4.800 ( 1.698 -8.246 -3.477) 9.108 4.915 ( -1.730 -1.526 -1.738) 2.888 4.994 ( -1.536 -0.050 -1.715) 2.303 5.788 ( 0.852 0.452 0.043) 0.966 5.836 ( -1.103 -0.094 2.026) 2.309 10.373 ( -0.354 -0.024 0.330) 0.485 10.622 ( 0.618 0.002 -1.578) 1.694 11.382 ( -0.820 -0.868 -1.622) 2.014 11.500 ( -0.025 1.143 0.614) 1.298 14.764 ( -0.187 0.096 0.392) 0.445 15.086 ( 0.259 0.147 -0.105) 0.316 15.144 ( -0.035 -0.142 -0.410) 0.435 ======================= Grid point 185 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 13.994 -1.222 -2.523) 14.272 1.471 ( 4.528 -0.619 0.700) 4.624 1.593 ( 16.883 1.261 -4.965) 17.643 1.988 ( 1.591 7.361 -3.348) 8.242 2.204 ( 11.619 -0.725 -5.415) 12.840 2.295 ( -3.834 -5.989 -2.506) 7.540 2.541 ( -0.726 -0.998 4.392) 4.562 2.722 ( 4.538 -0.243 -2.987) 5.439 2.859 ( 3.671 0.586 6.688) 7.651 2.987 ( 0.228 0.722 -3.193) 3.282 3.062 ( 2.915 -2.255 1.282) 3.902 3.141 ( 1.881 -1.156 7.235) 7.564 3.348 ( -2.687 0.531 -1.328) 3.044 3.489 ( 1.739 0.654 5.827) 6.116 3.730 ( -2.584 1.434 -2.378) 3.793 4.022 ( 2.368 -0.663 -3.467) 4.251 4.184 ( -10.349 -0.380 1.622) 10.482 4.398 ( -3.207 8.547 -0.167) 9.130 4.684 ( -2.161 -8.363 -0.061) 8.638 4.920 ( -1.885 -0.247 -0.824) 2.072 5.000 ( -1.870 0.007 -2.581) 3.187 5.782 ( 0.866 0.168 0.344) 0.947 5.871 ( -1.388 0.365 1.785) 2.290 10.381 ( -0.501 0.134 -0.022) 0.519 10.613 ( -0.559 0.000 -0.590) 0.812 11.374 ( -1.422 -0.410 -2.105) 2.573 11.509 ( 0.943 0.472 1.071) 1.503 14.765 ( 0.404 0.001 0.042) 0.406 15.085 ( 0.212 0.044 0.147) 0.261 15.146 ( -0.668 0.011 -0.056) 0.670 ======================= Grid point 186 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 17.070 -0.000 -5.391) 17.901 1.269 ( 20.602 -0.000 -4.479) 21.083 1.480 ( 1.665 -0.000 0.170) 1.673 1.843 ( 23.168 -0.000 -6.335) 24.019 2.006 ( 4.899 -0.000 -4.500) 6.652 2.280 ( -2.990 0.000 -2.118) 3.665 2.615 ( -0.532 0.000 4.563) 4.594 2.654 ( 1.937 -0.000 0.108) 1.940 2.828 ( 9.060 -0.000 4.908) 10.303 2.959 ( -0.945 -0.000 -4.531) 4.629 3.029 ( 2.099 -0.000 1.293) 2.465 3.139 ( 3.010 -0.000 2.807) 4.115 3.377 ( -1.481 0.000 -0.757) 1.663 3.535 ( -0.024 0.000 7.123) 7.123 3.768 ( -5.191 0.000 -4.055) 6.587 3.960 ( 1.254 -0.000 -3.137) 3.378 4.336 ( -10.723 0.000 1.350) 10.808 4.474 ( -0.831 0.000 0.557) 1.000 4.680 ( -3.926 0.000 0.973) 4.044 4.940 ( -1.376 0.000 0.492) 1.462 5.001 ( -1.689 -0.000 -2.986) 3.430 5.777 ( 0.582 0.000 0.754) 0.952 5.901 ( -1.123 0.000 0.732) 1.341 10.387 ( -0.486 0.000 -0.275) 0.559 10.627 ( -1.763 0.000 0.230) 1.778 11.376 ( -1.708 -0.000 -1.823) 2.498 11.507 ( 1.228 0.000 1.400) 1.863 14.756 ( 0.951 -0.000 -0.186) 0.969 15.084 ( 0.241 -0.000 0.180) 0.301 15.160 ( -1.307 0.000 0.258) 1.333 ======================= Grid point 187 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 19.839 -0.000 -0.000) 19.839 1.234 ( 22.116 -0.000 -0.000) 22.116 1.481 ( 0.731 -0.000 -0.000) 0.731 1.795 ( 25.784 -0.000 -0.000) 25.784 1.966 ( 3.973 -0.000 -0.000) 3.973 2.264 ( -2.581 0.000 0.000) 2.581 2.626 ( 4.566 -0.000 -0.000) 4.566 2.682 ( -4.788 0.000 0.000) 4.788 2.871 ( 10.058 -0.000 -0.000) 10.058 2.920 ( -1.110 0.000 0.000) 1.110 3.038 ( 1.990 -0.000 -0.000) 1.990 3.162 ( 5.312 -0.000 -0.000) 5.312 3.370 ( -1.813 0.000 0.000) 1.813 3.620 ( 1.086 -0.000 -0.000) 1.086 3.708 ( -5.754 0.000 0.000) 5.754 3.934 ( 0.870 -0.000 -0.000) 0.870 4.347 ( -10.662 0.000 0.000) 10.662 4.479 ( -1.505 0.000 0.000) 1.505 4.688 ( -4.179 0.000 0.000) 4.179 4.959 ( -2.982 0.000 0.000) 2.982 4.961 ( -0.206 0.000 0.000) 0.206 5.784 ( 0.282 -0.000 -0.000) 0.282 5.905 ( -0.720 0.000 0.000) 0.720 10.385 ( -0.315 0.000 0.000) 0.315 10.629 ( -2.211 0.000 0.000) 2.211 11.361 ( -1.679 0.000 0.000) 1.679 11.519 ( 0.833 -0.000 -0.000) 0.833 14.754 ( 1.079 -0.000 -0.000) 1.079 15.085 ( 0.257 -0.000 -0.000) 0.257 15.162 ( -1.532 0.000 0.000) 1.532 ======================= Grid point 191 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 12.333 10.091) 15.935 1.308 ( -0.000 19.727 10.099) 22.162 1.506 ( 0.000 2.367 -1.499) 2.802 1.861 ( -0.000 1.138 1.966) 2.271 2.106 ( -0.000 24.368 6.791) 25.296 2.277 ( -0.000 -1.012 0.624) 1.189 2.383 ( 0.000 5.529 -3.176) 6.376 2.520 ( 0.000 -1.963 -4.555) 4.960 2.815 ( -0.000 6.539 7.563) 9.998 2.975 ( 0.000 1.804 -1.412) 2.291 3.090 ( -0.000 2.728 9.613) 9.992 3.157 ( 0.000 -2.960 -0.225) 2.968 3.352 ( 0.000 -1.027 -0.502) 1.143 3.615 ( -0.000 -6.495 5.830) 8.728 3.717 ( 0.000 -7.685 1.191) 7.777 3.808 ( 0.000 -2.533 -0.797) 2.656 4.168 ( -0.000 2.641 1.281) 2.935 4.427 ( 0.000 -10.177 -2.158) 10.403 4.937 ( -0.000 2.172 -0.783) 2.308 4.949 ( 0.000 -3.568 0.010) 3.568 5.294 ( 0.000 -2.311 -16.114) 16.279 5.790 ( 0.000 0.753 -0.539) 0.926 5.833 ( 0.000 -1.188 -0.686) 1.371 10.385 ( -0.000 -0.845 0.787) 1.155 10.669 ( 0.000 -0.006 -2.942) 2.942 11.368 ( -0.000 3.452 0.146) 3.455 11.453 ( -0.000 -2.761 1.441) 3.114 14.737 ( -0.000 0.341 0.986) 1.043 15.081 ( 0.000 0.474 -0.379) 0.607 15.176 ( 0.000 -0.626 -1.330) 1.470 ======================= Grid point 192 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.076 10.841 3.350) 11.347 1.520 ( 1.348 3.641 1.135) 4.045 1.620 ( -1.712 16.762 7.717) 18.532 1.884 ( 1.963 1.845 2.479) 3.661 2.248 ( 3.017 -0.888 -2.197) 3.836 2.345 ( -1.087 3.005 4.793) 5.761 2.425 ( -1.020 2.076 -0.889) 2.478 2.581 ( -9.502 10.578 -2.784) 14.489 2.955 ( 3.348 7.303 6.361) 10.248 2.988 ( 0.153 2.199 0.729) 2.322 3.075 ( 1.544 -5.047 0.678) 5.321 3.214 ( -0.810 2.547 6.731) 7.242 3.331 ( 0.439 -0.152 -0.774) 0.903 3.566 ( 4.097 -3.068 1.890) 5.456 3.631 ( -1.098 -4.585 2.349) 5.267 3.843 ( -5.368 -0.757 -0.427) 5.438 4.203 ( -0.276 1.331 -0.138) 1.366 4.277 ( 0.690 -10.948 -1.531) 11.076 4.897 ( -0.168 -3.205 -1.756) 3.659 4.959 ( -0.745 1.084 -1.011) 1.659 5.102 ( 4.202 -5.211 -11.054) 12.923 5.792 ( 0.546 0.771 -0.234) 0.974 5.827 ( -0.632 -0.643 0.372) 0.976 10.381 ( 0.147 -0.702 0.795) 1.071 10.642 ( 0.563 -0.019 -2.848) 2.903 11.415 ( -0.129 0.884 0.390) 0.975 11.429 ( -0.827 -0.360 0.081) 0.905 14.751 ( -0.296 0.296 0.914) 1.005 15.083 ( 0.023 0.444 -0.367) 0.576 15.157 ( 0.240 -0.507 -1.136) 1.267 ======================= Grid point 193 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.894 5.675 -3.002) 7.042 1.579 ( 2.186 4.908 3.851) 6.610 1.837 ( 2.926 9.197 2.656) 10.010 1.893 ( 6.776 6.358 2.463) 9.613 2.158 ( 1.819 -2.430 -0.321) 3.052 2.359 ( -2.128 -1.956 -0.602) 2.953 2.512 ( -2.863 2.579 1.735) 4.226 2.786 ( -7.200 4.758 -2.398) 8.957 2.906 ( 3.847 -3.595 1.551) 5.489 3.028 ( 1.968 -1.224 0.449) 2.360 3.083 ( -0.198 5.139 3.359) 6.142 3.257 ( 2.985 -0.884 5.812) 6.593 3.347 ( 0.589 0.775 1.302) 1.626 3.502 ( 1.307 -1.265 0.366) 1.855 3.648 ( -2.607 0.116 0.102) 2.612 3.923 ( -2.667 5.570 1.098) 6.272 4.153 ( -1.772 -8.379 -0.383) 8.573 4.195 ( 0.443 -0.306 -2.261) 2.324 4.848 ( -0.415 -3.509 -2.989) 4.628 4.929 ( -0.021 -6.203 -5.271) 8.140 4.969 ( 0.018 0.632 -0.697) 0.942 5.792 ( 0.736 0.712 0.077) 1.027 5.838 ( -0.728 0.031 1.090) 1.311 10.378 ( 0.123 -0.391 0.602) 0.729 10.614 ( 0.428 -0.023 -2.121) 2.163 11.387 ( 0.105 -2.233 -0.635) 2.324 11.474 ( -1.095 2.380 0.243) 2.631 14.764 ( -0.245 0.187 0.621) 0.694 15.085 ( 0.070 0.317 -0.188) 0.375 15.142 ( 0.072 -0.281 -0.761) 0.814 ======================= Grid point 194 (82/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 6.954 3.390 -2.143) 8.028 1.566 ( 6.538 -1.432 2.240) 7.058 1.769 ( 17.644 3.200 -2.650) 18.127 1.897 ( 1.399 6.316 0.038) 6.469 2.215 ( -3.438 2.005 2.631) 4.771 2.334 ( 0.670 -3.265 -2.451) 4.138 2.549 ( -0.075 0.580 -0.715) 0.924 2.765 ( 3.117 -1.744 -3.913) 5.298 2.919 ( -0.804 -1.331 4.857) 5.100 2.992 ( 2.008 0.348 0.456) 2.088 3.151 ( 1.360 -1.098 3.528) 3.937 3.223 ( 2.808 -0.314 3.182) 4.255 3.318 ( 0.439 -2.116 -0.658) 2.259 3.526 ( 1.098 2.950 3.804) 4.937 3.669 ( -0.942 1.452 -3.431) 3.843 4.030 ( -1.129 2.029 1.976) 3.049 4.106 ( -3.247 -3.387 -1.201) 4.843 4.230 ( -5.456 6.356 -1.444) 8.500 4.761 ( -0.924 -7.924 -1.372) 8.095 4.887 ( -3.849 -2.460 -1.632) 4.851 4.969 ( -0.165 0.459 -1.272) 1.362 5.790 ( 0.753 0.477 0.173) 0.908 5.862 ( -0.939 0.580 1.167) 1.606 10.378 ( 0.003 -0.052 0.274) 0.279 10.600 ( -0.333 -0.025 -1.099) 1.149 11.359 ( -0.538 -1.546 -1.115) 1.980 11.509 ( -0.234 1.441 0.423) 1.520 14.770 ( 0.134 0.064 0.257) 0.297 15.086 ( 0.071 0.172 0.064) 0.196 15.137 ( -0.389 -0.068 -0.389) 0.554 ======================= Grid point 195 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 16.688 -0.831 -1.279) 16.757 1.488 ( 7.735 -0.845 1.618) 7.947 1.527 ( 14.800 0.555 -3.330) 15.181 1.963 ( 2.015 6.359 -0.177) 6.673 2.128 ( 16.241 -3.394 -3.259) 16.909 2.271 ( -2.982 -5.785 -0.692) 6.545 2.589 ( -3.600 2.816 1.594) 4.840 2.688 ( 4.050 -0.115 -1.231) 4.235 2.921 ( -0.654 -2.089 0.615) 2.274 2.970 ( 6.292 1.473 1.281) 6.588 3.079 ( 3.463 -2.352 0.611) 4.230 3.231 ( 4.544 -1.558 3.580) 5.991 3.321 ( -4.188 1.437 -1.560) 4.695 3.582 ( 0.878 2.424 5.797) 6.345 3.672 ( -1.907 1.840 -4.790) 5.474 3.982 ( 2.429 -2.800 -1.410) 3.966 4.204 ( -10.364 0.120 0.758) 10.393 4.396 ( -4.392 8.053 -0.119) 9.173 4.685 ( -3.336 -7.865 0.113) 8.544 4.914 ( -3.812 -0.724 -0.003) 3.880 4.965 ( -0.328 0.230 -1.463) 1.517 5.787 ( 0.546 0.207 0.250) 0.635 5.889 ( -0.952 0.547 0.536) 1.221 10.381 ( -0.169 0.129 0.010) 0.213 10.606 ( -1.379 -0.020 -0.260) 1.403 11.349 ( -1.226 -0.688 -0.864) 1.650 11.522 ( 0.499 0.642 0.460) 0.934 14.766 ( 0.660 -0.011 0.016) 0.661 15.087 ( 0.148 0.048 0.106) 0.188 15.145 ( -1.032 0.046 -0.064) 1.035 ======================= Grid point 201 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 6.987 4.974) 8.576 1.474 ( 0.000 17.798 10.605) 20.718 1.491 ( -0.000 3.985 -0.060) 3.986 1.859 ( 0.000 3.199 -2.406) 4.003 2.237 ( 0.000 21.325 4.983) 21.899 2.298 ( 0.000 -2.555 1.982) 3.234 2.326 ( 0.000 6.540 0.732) 6.581 2.470 ( 0.000 -3.561 -2.182) 4.176 2.933 ( 0.000 7.699 5.812) 9.647 2.954 ( 0.000 2.168 -1.195) 2.476 3.146 ( 0.000 -2.769 -0.979) 2.937 3.219 ( -0.000 3.723 6.619) 7.594 3.349 ( 0.000 -2.683 1.183) 2.932 3.668 ( -0.000 -6.106 0.398) 6.119 3.738 ( -0.000 -7.995 1.382) 8.114 3.806 ( -0.000 -2.818 0.252) 2.830 4.182 ( 0.000 1.896 0.677) 2.013 4.397 ( -0.000 -9.842 -1.545) 9.963 4.903 ( 0.000 3.306 -4.130) 5.290 4.943 ( 0.000 -4.987 -0.648) 5.029 5.087 ( -0.000 -1.284 -8.613) 8.708 5.787 ( -0.000 0.546 0.045) 0.548 5.824 ( -0.000 0.072 -0.487) 0.493 10.399 ( 0.000 -0.988 0.864) 1.312 10.623 ( -0.000 -0.057 -2.670) 2.671 11.370 ( -0.000 3.677 0.120) 3.679 11.469 ( 0.000 -3.593 0.682) 3.657 14.753 ( 0.000 0.286 0.929) 0.972 15.074 ( 0.000 0.492 -0.391) 0.628 15.155 ( -0.000 -0.481 -1.169) 1.264 ======================= Grid point 202 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 1.295 6.274 -1.299) 6.536 1.553 ( 0.665 5.522 2.206) 5.984 1.741 ( -0.146 13.627 7.150) 15.389 1.896 ( 1.503 6.239 -1.454) 6.580 2.242 ( 4.079 -2.420 1.798) 5.072 2.368 ( 0.790 -2.580 -2.019) 3.370 2.474 ( -2.065 3.928 5.435) 7.016 2.539 ( -8.742 13.087 -1.884) 15.850 2.967 ( 1.701 1.604 -0.035) 2.338 3.021 ( -0.444 4.233 -1.130) 4.404 3.099 ( 0.832 -4.417 2.026) 4.930 3.308 ( 0.984 3.402 4.640) 5.837 3.358 ( 0.280 1.953 4.536) 4.947 3.567 ( 5.212 -3.408 -1.841) 6.493 3.643 ( -0.721 -4.545 -0.410) 4.620 3.853 ( -5.481 -0.523 1.132) 5.621 4.196 ( 0.766 0.255 -0.517) 0.959 4.259 ( 0.512 -10.381 -0.712) 10.418 4.866 ( 0.470 -2.836 -2.144) 3.586 4.910 ( -2.012 -1.624 -4.676) 5.344 4.997 ( 1.706 -2.860 -2.038) 3.904 5.791 ( 0.511 0.796 0.130) 0.955 5.832 ( -0.547 0.470 0.218) 0.754 10.392 ( 0.221 -0.771 0.604) 1.004 10.602 ( 0.189 -0.063 -1.923) 1.934 11.420 ( -0.179 0.550 0.321) 0.662 11.428 ( -0.484 -0.575 -0.179) 0.772 14.764 ( -0.157 0.244 0.630) 0.693 15.078 ( -0.076 0.467 -0.250) 0.535 15.141 ( 0.106 -0.380 -0.760) 0.856 ======================= Grid point 203 (86/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 3.147 5.783 -1.576) 6.770 1.617 ( 2.129 4.638 1.117) 5.224 1.873 ( 3.245 4.938 1.957) 6.224 1.904 ( 10.576 7.066 -0.883) 12.750 2.204 ( -0.852 -1.785 5.055) 5.428 2.316 ( -0.882 -0.878 -4.208) 4.388 2.548 ( 1.087 1.497 2.114) 2.809 2.720 ( -5.033 3.917 -3.667) 7.357 2.970 ( 1.461 1.155 4.463) 4.836 3.027 ( 0.577 -4.777 -0.572) 4.845 3.096 ( -4.095 3.855 -1.077) 5.726 3.327 ( 4.510 -0.490 2.249) 5.063 3.388 ( 3.638 -2.677 3.083) 5.469 3.503 ( 1.197 5.475 -0.144) 5.606 3.621 ( -2.292 -1.540 -2.224) 3.546 3.957 ( -3.770 5.938 2.020) 7.318 4.147 ( 1.479 -4.336 -0.796) 4.650 4.160 ( -1.758 -5.056 -1.195) 5.485 4.818 ( -0.697 -4.731 -0.575) 4.817 4.864 ( -3.670 -4.746 -2.665) 6.565 4.963 ( 0.837 0.175 -0.181) 0.874 5.794 ( 0.718 0.701 0.100) 1.008 5.850 ( -0.679 0.771 0.405) 1.105 10.385 ( 0.296 -0.412 0.266) 0.573 10.590 ( -0.106 -0.058 -0.866) 0.875 11.379 ( 0.252 -2.880 -0.287) 2.905 11.477 ( -1.045 2.650 0.104) 2.851 14.771 ( -0.050 0.151 0.252) 0.298 15.083 ( -0.102 0.344 -0.039) 0.361 15.133 ( -0.079 -0.208 -0.339) 0.405 ======================= Grid point 204 (87/125) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 7.107 4.113 -0.000) 8.211 1.584 ( 6.334 -1.774 -0.000) 6.578 1.746 ( 18.569 2.417 -0.000) 18.725 1.901 ( 1.617 5.569 0.000) 5.799 2.269 ( -5.908 -2.893 0.000) 6.578 2.282 ( 5.528 0.857 -0.000) 5.594 2.543 ( 0.755 1.086 0.000) 1.323 2.732 ( 2.235 -0.421 -0.000) 2.275 2.953 ( -1.159 -5.291 -0.000) 5.417 3.007 ( 2.980 3.334 -0.000) 4.472 3.202 ( 6.904 -5.376 -0.000) 8.750 3.208 ( -6.098 3.261 0.000) 6.915 3.329 ( 3.442 -1.997 -0.000) 3.979 3.579 ( 2.158 7.459 0.000) 7.765 3.615 ( -1.618 -1.359 0.000) 2.113 4.059 ( 3.376 -3.856 -0.000) 5.125 4.086 ( -6.715 1.626 0.000) 6.909 4.217 ( -6.852 6.312 0.000) 9.317 4.752 ( -1.874 -8.110 -0.000) 8.323 4.872 ( -4.958 -2.511 0.000) 5.557 4.959 ( 0.567 0.596 -0.000) 0.823 5.792 ( 0.691 0.487 -0.000) 0.846 5.871 ( -0.824 0.817 0.000) 1.161 10.380 ( 0.157 -0.054 -0.000) 0.166 10.591 ( -0.718 -0.045 0.000) 0.720 11.350 ( -0.427 -1.812 -0.000) 1.862 11.512 ( -0.327 1.560 0.000) 1.594 14.772 ( 0.265 0.050 -0.000) 0.270 15.087 ( -0.011 0.182 0.000) 0.183 15.134 ( -0.524 -0.039 0.000) 0.526 ======================= Grid point 211 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 1.643 0.730) 1.798 1.504 ( -0.000 5.336 1.081) 5.445 1.624 ( 0.000 17.351 7.604) 18.944 1.794 ( 0.000 4.282 -4.923) 6.524 2.203 ( 0.000 19.456 -2.778) 19.654 2.330 ( 0.000 -3.870 1.506) 4.153 2.444 ( 0.000 9.234 6.663) 11.387 2.444 ( 0.000 -4.561 -1.018) 4.673 2.940 ( 0.000 2.472 -0.427) 2.508 2.963 ( -0.000 3.691 -1.009) 3.827 3.143 ( 0.000 0.639 0.445) 0.779 3.290 ( -0.000 4.192 2.319) 4.791 3.395 ( 0.000 -2.802 3.369) 4.382 3.643 ( -0.000 -6.111 -2.406) 6.568 3.755 ( -0.000 -8.183 0.667) 8.210 3.804 ( -0.000 -1.699 -0.327) 1.730 4.193 ( 0.000 1.401 0.563) 1.510 4.381 ( -0.000 -9.565 -0.516) 9.578 4.830 ( -0.000 3.562 -3.358) 4.895 4.933 ( 0.000 -5.973 -0.435) 5.989 5.022 ( -0.000 -1.366 -1.262) 1.860 5.788 ( -0.000 0.459 0.084) 0.466 5.819 ( -0.000 0.911 -0.161) 0.925 10.409 ( 0.000 -1.065 0.375) 1.128 10.593 ( -0.000 -0.103 -1.079) 1.084 11.371 ( -0.000 3.826 0.045) 3.826 11.476 ( 0.000 -4.011 0.177) 4.015 14.764 ( 0.000 0.245 0.386) 0.457 15.070 ( 0.000 0.508 -0.172) 0.536 15.142 ( -0.000 -0.383 -0.462) 0.600 ======================= Grid point 212 (89/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 1.555 4.902 0.000) 5.143 1.572 ( 0.568 5.674 0.000) 5.702 1.829 ( -3.016 2.966 0.000) 4.230 1.851 ( 5.359 17.681 0.000) 18.476 2.276 ( 1.322 -4.072 -0.000) 4.281 2.335 ( 2.476 -1.737 -0.000) 3.025 2.501 ( -9.479 10.870 0.000) 14.422 2.548 ( 1.397 4.751 0.000) 4.952 2.978 ( 2.112 3.270 0.000) 3.893 2.991 ( -3.061 3.133 0.000) 4.380 3.113 ( 0.407 -5.838 -0.000) 5.852 3.346 ( 0.964 3.716 0.000) 3.839 3.423 ( 0.571 5.517 0.000) 5.546 3.529 ( 5.474 -4.803 -0.000) 7.282 3.639 ( 0.317 -5.649 -0.000) 5.658 3.863 ( -5.961 0.222 0.000) 5.965 4.191 ( 1.684 -0.360 -0.000) 1.722 4.254 ( 0.464 -10.086 -0.000) 10.096 4.842 ( -0.193 0.146 0.000) 0.242 4.872 ( -2.259 -5.922 -0.000) 6.338 4.986 ( 1.186 -1.761 -0.000) 2.123 5.793 ( 0.447 0.743 0.000) 0.867 5.833 ( -0.446 0.947 0.000) 1.046 10.397 ( 0.262 -0.794 -0.000) 0.836 10.587 ( 0.035 -0.089 -0.000) 0.096 11.425 ( 0.492 -3.829 -0.000) 3.860 11.425 ( -1.065 3.613 0.000) 3.767 14.769 ( -0.096 0.221 0.000) 0.241 15.076 ( -0.143 0.479 0.000) 0.500 15.135 ( 0.074 -0.331 -0.000) 0.339 ======================= Grid point 218 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 4.008 -0.000 9.927) 10.706 1.422 ( 2.179 0.000 -0.863) 2.343 1.557 ( 14.661 0.000 10.612) 18.099 2.126 ( 12.845 0.000 0.567) 12.857 2.150 ( 7.047 -0.000 8.245) 10.846 2.253 ( 7.545 -0.000 -11.861) 14.058 2.477 ( -8.178 0.000 6.497) 10.445 2.644 ( 7.823 0.000 -2.927) 8.353 2.732 ( 5.674 -0.000 3.022) 6.429 2.915 ( -1.268 -0.000 -6.890) 7.005 3.012 ( -1.768 -0.000 -3.462) 3.887 3.162 ( 0.563 0.000 5.886) 5.913 3.342 ( -6.574 -0.000 -3.838) 7.612 3.413 ( -0.783 0.000 0.870) 1.170 3.790 ( -4.240 0.000 -2.066) 4.717 4.093 ( 1.792 -0.000 4.018) 4.400 4.279 ( -10.761 -0.000 -1.731) 10.899 4.452 ( 3.420 -0.000 -0.602) 3.473 4.638 ( -2.666 -0.000 -1.310) 2.971 4.958 ( -0.610 0.000 1.022) 1.191 5.085 ( -1.722 0.000 1.835) 2.516 5.763 ( 1.228 0.000 0.151) 1.238 5.837 ( -1.736 -0.000 -2.805) 3.299 10.400 ( -1.282 -0.000 0.420) 1.349 10.615 ( 0.581 -0.000 -0.423) 0.718 11.437 ( 1.912 -0.000 0.258) 1.929 11.471 ( -1.182 -0.000 0.591) 1.322 14.764 ( 0.215 -0.000 0.260) 0.337 15.078 ( 0.474 -0.000 -0.006) 0.474 15.146 ( -0.316 -0.000 -0.579) 0.660 ======================= Grid point 228 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.308 2.454 1.696) 4.454 1.465 ( 2.877 -1.942 1.213) 3.677 1.796 ( 11.378 0.845 8.076) 13.979 2.132 ( -2.888 5.760 3.624) 7.392 2.158 ( 5.301 8.778 -9.154) 13.746 2.413 ( 2.240 -8.474 -1.670) 8.923 2.468 ( -1.266 -3.878 5.519) 6.863 2.713 ( 4.972 3.599 -0.738) 6.183 2.823 ( 4.452 1.759 -0.582) 4.822 2.869 ( 3.259 -7.042 -2.695) 8.215 2.975 ( -1.042 0.053 -2.493) 2.703 3.216 ( -2.954 0.669 6.828) 7.470 3.257 ( -0.923 -4.436 -5.127) 6.843 3.393 ( -0.937 1.033 -1.913) 2.367 3.730 ( -1.768 1.965 -1.174) 2.893 4.116 ( -7.488 -0.109 0.562) 7.510 4.161 ( -0.450 -0.527 1.302) 1.475 4.392 ( -0.756 11.535 -0.483) 11.570 4.701 ( 2.012 -11.210 0.745) 11.413 4.960 ( 0.199 0.581 1.129) 1.285 5.061 ( -3.069 0.560 0.929) 3.255 5.778 ( 0.549 -0.036 -0.169) 0.576 5.798 ( -1.056 -0.318 -1.671) 2.002 10.383 ( -1.316 0.202 0.100) 1.335 10.630 ( 1.705 0.014 0.326) 1.736 11.440 ( -1.800 0.338 1.522) 2.381 11.477 ( 1.781 0.077 -0.755) 1.936 14.764 ( -0.341 0.037 -0.037) 0.345 15.086 ( 0.532 0.021 0.185) 0.564 15.143 ( 0.265 -0.079 -0.222) 0.355 ======================= Grid point 229 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.449 -0.000 -0.808) 2.579 1.455 ( -1.389 -0.000 5.602) 5.772 1.734 ( 8.704 -0.000 10.007) 13.263 2.060 ( 12.868 -0.000 -10.559) 16.646 2.100 ( 16.375 -0.000 -2.402) 16.550 2.231 ( 0.308 -0.000 2.223) 2.244 2.599 ( -7.860 -0.000 7.449) 10.830 2.644 ( 10.248 -0.000 1.509) 10.359 2.769 ( 5.290 -0.000 1.032) 5.390 2.796 ( -3.382 0.000 -6.831) 7.622 2.973 ( -1.309 0.000 -1.457) 1.959 3.203 ( 0.400 -0.000 -0.341) 0.525 3.325 ( -6.639 -0.000 1.101) 6.730 3.423 ( -3.687 -0.000 0.297) 3.699 3.757 ( -2.734 -0.000 -1.511) 3.124 4.141 ( 1.731 0.000 1.727) 2.445 4.258 ( -10.804 -0.000 -0.802) 10.834 4.446 ( 5.089 0.000 -0.219) 5.094 4.622 ( -2.215 -0.000 -0.547) 2.281 4.970 ( -0.343 -0.000 0.465) 0.577 5.104 ( -1.728 -0.000 0.614) 1.834 5.771 ( 0.886 -0.000 0.755) 1.164 5.798 ( -1.339 -0.000 -1.863) 2.294 10.405 ( -1.513 0.000 0.173) 1.523 10.610 ( 1.349 -0.000 -0.175) 1.361 11.432 ( 3.573 0.000 -0.330) 3.588 11.486 ( -2.590 -0.000 0.681) 2.678 14.767 ( -0.056 0.000 0.103) 0.117 15.079 ( 0.633 0.000 0.073) 0.637 15.138 ( -0.023 0.000 -0.301) 0.301 ======================= Grid point 238 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 3.052 3.904 -1.254) 5.111 1.532 ( 2.439 -1.237 0.897) 2.878 1.891 ( 1.207 9.618 4.341) 10.621 1.966 ( -3.315 12.103 -4.009) 13.173 2.121 ( 3.363 -4.378 -1.025) 5.615 2.425 ( -6.417 -2.111 2.253) 7.121 2.561 ( 0.907 -0.879 4.103) 4.293 2.672 ( 4.212 2.665 -8.114) 9.523 2.853 ( 2.089 1.397 2.657) 3.657 2.925 ( -0.628 0.820 -4.596) 4.711 3.059 ( 4.478 -8.368 1.880) 9.676 3.185 ( -3.017 1.683 3.325) 4.794 3.321 ( 0.439 -1.522 -1.000) 1.873 3.357 ( 0.697 -4.127 -2.807) 5.039 3.644 ( -4.275 5.459 -0.978) 7.002 4.052 ( -3.620 -3.139 0.564) 4.825 4.185 ( -0.356 3.252 2.714) 4.251 4.227 ( -2.092 6.063 -2.193) 6.779 4.912 ( 6.578 -10.926 1.662) 12.861 4.968 ( 1.114 0.671 1.613) 2.072 5.012 ( -3.134 0.304 -0.686) 3.223 5.773 ( -0.852 -1.442 -0.790) 1.852 5.798 ( 0.678 0.166 0.058) 0.700 10.366 ( -0.940 0.091 -0.069) 0.947 10.660 ( 2.321 -0.006 0.488) 2.371 11.422 ( -1.396 0.392 0.562) 1.555 11.484 ( 0.330 0.626 -0.242) 0.748 14.755 ( -0.754 0.153 -0.134) 0.781 15.093 ( 0.418 0.134 0.137) 0.460 15.151 ( 0.777 -0.310 0.052) 0.838 ======================= Grid point 239 (94/125) ======================= q-point: (-0.56 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 2.214 3.442 0.000) 4.092 1.484 ( 1.788 -1.950 -0.000) 2.645 1.895 ( 5.719 -4.735 -0.000) 7.425 2.044 ( 9.599 14.444 0.000) 17.343 2.163 ( -4.528 5.371 0.000) 7.025 2.382 ( 6.534 -11.360 -0.000) 13.105 2.556 ( -3.174 -0.279 0.000) 3.187 2.662 ( -1.554 3.239 0.000) 3.592 2.840 ( 7.394 4.317 -0.000) 8.562 2.848 ( 5.409 -7.092 -0.000) 8.919 2.959 ( -0.815 -2.350 -0.000) 2.487 3.205 ( -3.158 -5.116 -0.000) 6.013 3.293 ( 0.084 0.323 0.000) 0.334 3.361 ( -3.582 1.251 0.000) 3.794 3.719 ( -1.077 2.275 0.000) 2.518 4.117 ( -10.350 -1.312 0.000) 10.433 4.176 ( 2.512 0.156 -0.000) 2.517 4.388 ( -0.484 12.457 0.000) 12.467 4.708 ( 2.909 -11.866 -0.000) 12.217 4.969 ( 0.556 0.637 -0.000) 0.846 5.068 ( -3.281 0.846 0.000) 3.388 5.773 ( -1.508 -0.680 0.000) 1.654 5.788 ( 1.030 0.109 -0.000) 1.035 10.384 ( -1.451 0.221 0.000) 1.468 10.632 ( 2.107 0.011 -0.000) 2.107 11.454 ( -2.145 0.488 0.000) 2.200 11.470 ( 2.183 -0.003 -0.000) 2.183 14.764 ( -0.479 0.044 0.000) 0.481 15.088 ( 0.574 0.021 -0.000) 0.574 15.140 ( 0.456 -0.100 -0.000) 0.467 ======================= Grid point 248 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.761 9.414 0.000) 9.445 1.560 ( 0.861 0.799 -0.000) 1.174 1.691 ( -4.063 18.307 0.000) 18.752 1.822 ( -1.331 3.864 0.000) 4.087 2.250 ( 3.366 -6.711 -0.000) 7.508 2.354 ( -6.124 0.739 0.000) 6.168 2.568 ( -0.186 0.582 0.000) 0.611 2.680 ( 6.351 5.853 -0.000) 8.637 2.854 ( -5.965 -2.083 0.000) 6.318 2.858 ( 3.368 8.723 0.000) 9.351 3.110 ( -3.150 5.630 0.000) 6.451 3.177 ( -0.590 -6.235 -0.000) 6.263 3.349 ( 4.127 -2.059 -0.000) 4.612 3.381 ( -3.275 2.558 0.000) 4.156 3.539 ( -2.981 -1.759 0.000) 3.461 4.001 ( -4.676 4.604 0.000) 6.562 4.183 ( -1.128 -10.653 -0.000) 10.712 4.209 ( 2.118 3.114 0.000) 3.766 4.954 ( -3.465 -0.205 0.000) 3.471 4.967 ( 1.020 1.129 -0.000) 1.521 5.185 ( 10.850 -10.470 -0.000) 15.079 5.786 ( -0.285 -2.335 -0.000) 2.352 5.805 ( 0.694 0.008 -0.000) 0.694 10.358 ( -0.293 -0.261 0.000) 0.393 10.693 ( 2.137 -0.033 -0.000) 2.137 11.408 ( -0.655 0.081 0.000) 0.660 11.464 ( -1.274 1.562 0.000) 2.016 14.741 ( -0.819 0.288 0.000) 0.868 15.095 ( 0.220 0.296 0.000) 0.369 15.169 ( 0.919 -0.578 -0.000) 1.086 ======================= Grid point 257 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 14.103 0.000) 14.103 1.574 ( 0.000 1.470 0.000) 1.470 1.611 ( 0.000 18.365 0.000) 18.365 1.815 ( 0.000 0.909 0.000) 0.909 2.260 ( -0.000 -0.268 -0.000) 0.268 2.288 ( -0.000 -3.531 -0.000) 3.531 2.599 ( -0.000 -6.729 -0.000) 6.729 2.739 ( 0.000 2.348 0.000) 2.348 2.788 ( 0.000 21.897 0.000) 21.897 2.926 ( 0.000 4.138 0.000) 4.138 3.068 ( 0.000 4.884 0.000) 4.884 3.161 ( -0.000 -5.516 -0.000) 5.516 3.298 ( 0.000 3.112 0.000) 3.112 3.413 ( -0.000 -3.325 -0.000) 3.325 3.516 ( -0.000 -6.365 -0.000) 6.365 3.894 ( 0.000 9.471 0.000) 9.471 4.184 ( -0.000 -13.262 -0.000) 13.262 4.243 ( 0.000 4.196 0.000) 4.196 4.900 ( -0.000 -1.370 -0.000) 1.370 4.983 ( 0.000 1.281 0.000) 1.281 5.353 ( -0.000 -14.449 -0.000) 14.449 5.784 ( -0.000 -2.466 -0.000) 2.466 5.816 ( -0.000 -0.468 -0.000) 0.468 10.357 ( -0.000 -0.622 -0.000) 0.622 10.723 ( -0.000 -0.061 -0.000) 0.061 11.399 ( -0.000 -0.411 -0.000) 0.411 11.439 ( 0.000 2.773 0.000) 2.773 14.729 ( 0.000 0.350 0.000) 0.350 15.098 ( 0.000 0.405 0.000) 0.405 15.182 ( -0.000 -0.702 -0.000) 0.702 ======================= Grid point 258 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.579 8.653 3.132) 9.337 1.584 ( 1.326 1.359 0.135) 1.904 1.837 ( -2.572 9.252 0.677) 9.627 1.851 ( -3.585 7.834 2.426) 8.950 2.229 ( 3.216 -4.730 1.601) 5.940 2.287 ( -3.706 0.123 0.362) 3.725 2.523 ( -1.354 -3.028 -3.438) 4.778 2.787 ( -2.995 2.703 -2.079) 4.538 2.894 ( 9.524 4.645 4.881) 11.667 2.983 ( 2.231 5.277 0.858) 5.793 3.076 ( -1.065 -5.110 -3.729) 6.415 3.148 ( -2.201 2.047 1.501) 3.359 3.353 ( -0.462 -0.537 2.120) 2.235 3.369 ( 1.304 -3.001 1.746) 3.708 3.503 ( -4.274 3.321 0.619) 5.448 4.019 ( 0.079 -11.464 -0.667) 11.484 4.080 ( -3.570 14.727 -0.727) 15.171 4.271 ( 1.884 2.711 -0.296) 3.314 4.902 ( -2.787 -0.751 -0.983) 3.049 4.986 ( 0.818 -0.366 -0.174) 0.913 5.120 ( 4.993 -14.721 -3.088) 15.848 5.761 ( -0.136 -1.762 0.745) 1.918 5.810 ( 0.262 -0.089 -0.111) 0.298 10.352 ( -0.178 -0.353 0.187) 0.437 10.711 ( 1.196 -0.057 -0.901) 1.499 11.397 ( -0.512 -0.269 -0.341) 0.671 11.473 ( -0.628 1.835 0.208) 1.951 14.736 ( -0.461 0.246 0.269) 0.588 15.101 ( 0.163 0.280 -0.110) 0.342 15.170 ( 0.484 -0.488 -0.320) 0.758 ======================= Grid point 259 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 4.312 2.675 2.483) 5.649 1.559 ( 4.651 -0.276 0.984) 4.762 1.955 ( -3.094 7.024 0.254) 7.680 2.065 ( -4.631 4.755 1.695) 6.850 2.129 ( 2.799 -2.080 2.218) 4.133 2.347 ( -2.568 1.868 0.694) 3.251 2.499 ( -2.092 -2.182 -3.557) 4.668 2.826 ( -1.235 2.223 -3.620) 4.424 2.856 ( 6.551 1.061 6.375) 9.203 2.955 ( 1.818 -4.384 -1.086) 4.869 3.047 ( 2.413 1.169 2.853) 3.915 3.134 ( -0.008 -2.819 -2.106) 3.519 3.307 ( 2.683 -2.939 0.421) 4.002 3.387 ( 0.398 1.024 5.350) 5.462 3.668 ( -5.113 7.541 0.718) 9.139 3.900 ( -4.910 -10.056 0.030) 11.191 4.230 ( 2.920 3.038 -3.128) 5.248 4.338 ( -2.666 14.857 0.361) 15.099 4.809 ( 5.303 -15.140 -3.845) 16.496 4.931 ( -3.960 -0.151 -2.589) 4.734 5.004 ( 0.563 0.123 0.016) 0.577 5.761 ( -0.611 -0.751 1.910) 2.141 5.805 ( 0.415 0.085 -0.136) 0.445 10.357 ( -0.625 -0.070 0.283) 0.690 10.680 ( 1.840 -0.021 -1.404) 2.314 11.400 ( -1.138 -0.101 -1.134) 1.610 11.497 ( -0.128 0.739 0.454) 0.877 14.749 ( -0.652 0.107 0.399) 0.772 15.098 ( 0.372 0.116 -0.227) 0.451 15.156 ( 0.592 -0.205 -0.361) 0.723 ======================= Grid point 260 (99/125) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 7.709 -0.000 0.055) 7.709 1.496 ( 3.313 -0.000 0.795) 3.407 1.915 ( 12.447 -0.000 -2.985) 12.800 2.101 ( -4.302 0.000 -1.023) 4.422 2.238 ( -8.977 0.000 -1.152) 9.051 2.416 ( 2.721 0.000 3.484) 4.420 2.422 ( 3.482 -0.000 -1.340) 3.731 2.791 ( 3.461 -0.000 -3.594) 4.989 2.841 ( 0.480 -0.000 -3.582) 3.614 2.915 ( 3.218 0.000 12.193) 12.610 3.027 ( 3.864 -0.000 3.050) 4.923 3.127 ( -2.871 -0.000 -5.726) 6.405 3.273 ( 0.682 0.000 4.353) 4.406 3.421 ( 1.202 0.000 3.456) 3.659 3.734 ( -0.422 0.000 -0.369) 0.560 3.975 ( -11.744 0.000 1.936) 11.903 4.171 ( 3.491 -0.000 -3.670) 5.065 4.537 ( -4.689 0.000 0.282) 4.697 4.563 ( 5.484 -0.000 -3.344) 6.424 4.945 ( -1.538 -0.000 -2.744) 3.146 5.015 ( -2.301 0.000 -0.781) 2.430 5.786 ( -0.583 0.000 2.094) 2.174 5.799 ( 0.078 0.000 0.482) 0.488 10.369 ( -0.949 0.000 0.168) 0.964 10.646 ( 1.634 -0.000 -1.285) 2.078 11.405 ( -1.575 -0.000 -1.924) 2.487 11.501 ( 0.779 -0.000 0.760) 1.088 14.760 ( -0.470 0.000 0.317) 0.567 15.091 ( 0.481 -0.000 -0.245) 0.540 15.146 ( 0.308 -0.000 -0.146) 0.341 ======================= Grid point 267 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 13.703 6.932) 15.357 1.571 ( -0.000 1.781 -0.527) 1.857 1.647 ( -0.000 17.558 4.420) 18.106 1.838 ( -0.000 0.908 2.807) 2.951 2.264 ( -0.000 0.106 0.422) 0.435 2.304 ( -0.000 -1.828 1.915) 2.648 2.540 ( 0.000 -4.849 -5.932) 7.662 2.674 ( 0.000 8.643 -3.928) 9.494 2.886 ( -0.000 13.392 8.228) 15.718 2.982 ( -0.000 1.111 4.491) 4.626 3.088 ( -0.000 6.147 3.601) 7.124 3.095 ( 0.000 -5.430 -5.771) 7.924 3.355 ( -0.000 1.406 2.190) 2.602 3.432 ( -0.000 -2.656 4.524) 5.246 3.518 ( 0.000 -6.507 0.217) 6.511 3.885 ( -0.000 9.497 -1.015) 9.551 4.173 ( 0.000 -13.131 -1.272) 13.192 4.240 ( -0.000 3.671 -0.351) 3.688 4.892 ( 0.000 -1.896 -1.077) 2.181 4.982 ( -0.000 1.227 -0.100) 1.231 5.288 ( 0.000 -13.412 -7.911) 15.571 5.790 ( 0.000 -2.034 0.755) 2.170 5.811 ( 0.000 -0.068 -0.478) 0.483 10.360 ( -0.000 -0.588 0.359) 0.689 10.708 ( 0.000 -0.047 -1.846) 1.847 11.399 ( 0.000 -0.879 -0.037) 0.880 11.442 ( -0.000 2.840 0.318) 2.858 14.733 ( -0.000 0.337 0.565) 0.658 15.096 ( 0.000 0.408 -0.207) 0.457 15.176 ( 0.000 -0.658 -0.729) 0.982 ======================= Grid point 268 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 2.079 4.086 4.296) 6.283 1.595 ( 2.870 6.512 2.324) 7.486 1.859 ( -1.109 5.897 1.855) 6.280 1.914 ( -4.237 9.241 5.261) 11.447 2.266 ( 6.097 -3.059 1.815) 7.059 2.296 ( -1.824 1.624 1.115) 2.685 2.461 ( -2.515 -1.559 -2.894) 4.139 2.747 ( -4.004 2.276 -2.093) 5.059 2.934 ( 2.976 -4.378 -3.877) 6.562 3.022 ( 0.837 1.752 4.200) 4.627 3.054 ( 2.332 4.172 3.954) 6.203 3.178 ( 0.879 -0.351 2.622) 2.788 3.346 ( 0.159 -1.022 -1.232) 1.609 3.447 ( 1.824 -1.201 4.674) 5.159 3.532 ( -5.333 3.129 3.743) 7.228 4.001 ( 0.162 -9.259 -1.472) 9.376 4.060 ( -3.403 11.934 -1.566) 12.509 4.261 ( 1.289 2.515 -1.086) 3.027 4.872 ( -2.406 -1.548 -2.773) 3.984 4.976 ( 1.390 -4.160 -1.831) 4.753 5.037 ( 2.933 -9.537 -6.321) 11.811 5.783 ( -0.263 -1.132 1.828) 2.166 5.808 ( 0.299 0.139 -0.122) 0.351 10.358 ( -0.121 -0.332 0.549) 0.653 10.684 ( 0.946 -0.037 -2.379) 2.560 11.387 ( -0.354 -0.814 -0.912) 1.272 11.479 ( -0.589 1.946 0.511) 2.097 14.744 ( -0.378 0.226 0.703) 0.830 15.097 ( 0.176 0.281 -0.289) 0.440 15.161 ( 0.321 -0.422 -0.812) 0.970 ======================= Grid point 269 (102/125) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.938 0.398 0.521) 3.010 1.602 ( 9.597 2.003 4.350) 10.725 1.964 ( -0.487 7.743 0.750) 7.795 2.087 ( 3.222 0.823 0.097) 3.327 2.138 ( -0.931 -0.577 -1.152) 1.590 2.356 ( 0.669 5.763 1.455) 5.982 2.496 ( -3.782 -2.643 1.930) 5.001 2.785 ( -1.300 -0.175 -0.213) 1.328 2.833 ( -1.271 -4.340 -4.641) 6.480 3.052 ( 0.421 0.008 3.480) 3.505 3.086 ( 3.422 -1.204 4.204) 5.553 3.113 ( 6.012 0.854 2.659) 6.629 3.310 ( -0.344 -2.838 -0.521) 2.906 3.475 ( 2.626 1.859 5.331) 6.226 3.682 ( -3.868 4.629 0.992) 6.113 3.907 ( -6.272 -7.905 1.068) 10.147 4.171 ( 2.723 3.418 -4.132) 6.014 4.335 ( -2.705 13.165 -0.790) 13.463 4.732 ( 3.038 -14.153 -5.482) 15.479 4.881 ( -4.004 -0.961 -3.594) 5.465 4.998 ( 0.170 0.337 -0.713) 0.806 5.798 ( -0.307 -0.091 2.017) 2.043 5.805 ( 0.092 -0.054 0.652) 0.661 10.364 ( -0.391 -0.079 0.533) 0.665 10.650 ( 1.187 -0.010 -2.282) 2.573 11.376 ( -0.854 -0.463 -1.771) 2.020 11.506 ( -0.172 0.848 0.678) 1.099 14.757 ( -0.432 0.092 0.628) 0.768 15.094 ( 0.350 0.116 -0.286) 0.467 15.148 ( 0.228 -0.155 -0.618) 0.677 ======================= Grid point 270 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 12.664 -0.000 1.156) 12.716 1.506 ( 3.188 -0.000 0.567) 3.238 1.862 ( 16.326 -0.000 -3.907) 16.787 2.075 ( -1.073 -0.000 -2.224) 2.470 2.195 ( -6.957 0.000 -2.578) 7.420 2.406 ( 8.103 -0.000 -3.913) 8.998 2.464 ( -1.080 0.000 4.601) 4.726 2.781 ( 1.081 -0.000 -3.608) 3.767 2.818 ( -1.190 0.000 5.856) 5.975 3.036 ( 0.355 -0.000 -4.793) 4.806 3.063 ( 2.186 0.000 2.768) 3.527 3.106 ( 5.170 0.000 10.376) 11.592 3.315 ( -2.732 0.000 0.259) 2.744 3.483 ( 3.204 0.000 4.707) 5.694 3.725 ( -1.232 0.000 -0.879) 1.513 4.011 ( -10.677 0.000 2.501) 10.966 4.103 ( 3.146 -0.000 -4.676) 5.636 4.506 ( 2.629 -0.000 -3.602) 4.460 4.541 ( -5.370 0.000 0.299) 5.379 4.899 ( -3.402 0.000 -2.959) 4.509 4.997 ( -0.953 -0.000 -1.429) 1.717 5.794 ( 0.930 -0.000 0.072) 0.933 5.836 ( -1.388 0.000 2.691) 3.028 10.373 ( -0.554 0.000 0.298) 0.629 10.622 ( 0.601 -0.000 -1.589) 1.699 11.371 ( -1.249 -0.000 -2.245) 2.569 11.515 ( 0.502 0.000 0.877) 1.010 14.766 ( -0.120 0.000 0.363) 0.382 15.088 ( 0.333 -0.000 -0.085) 0.344 15.142 ( -0.142 -0.000 -0.340) 0.369 ======================= Grid point 277 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 13.510 6.316) 14.914 1.557 ( -0.000 1.805 -0.514) 1.877 1.735 ( 0.000 14.564 5.986) 15.746 1.899 ( 0.000 2.244 5.024) 5.503 2.269 ( 0.000 0.994 -0.033) 0.995 2.348 ( 0.000 1.503 3.990) 4.264 2.448 ( 0.000 -3.509 -5.141) 6.224 2.634 ( 0.000 8.002 -1.467) 8.136 3.003 ( 0.000 -5.468 -0.925) 5.546 3.012 ( 0.000 1.202 0.144) 1.211 3.033 ( 0.000 7.816 5.394) 9.496 3.196 ( -0.000 4.837 8.626) 9.890 3.342 ( -0.000 -0.583 -1.977) 2.061 3.523 ( -0.000 -6.938 0.403) 6.950 3.539 ( -0.000 -0.633 6.768) 6.798 3.867 ( -0.000 9.381 -1.077) 9.442 4.150 ( -0.000 -12.721 -1.484) 12.807 4.230 ( -0.000 2.410 -0.914) 2.578 4.865 ( 0.000 -3.179 -2.273) 3.908 4.979 ( 0.000 1.217 -0.264) 1.245 5.126 ( -0.000 -10.976 -11.751) 16.079 5.805 ( -0.000 0.453 -0.265) 0.524 5.806 ( -0.000 -0.999 1.230) 1.585 10.368 ( 0.000 -0.550 0.706) 0.895 10.669 ( -0.000 -0.027 -2.965) 2.965 11.397 ( 0.000 -1.890 -0.298) 1.913 11.448 ( 0.000 3.011 0.484) 3.049 14.745 ( 0.000 0.299 0.909) 0.957 15.092 ( 0.000 0.417 -0.357) 0.549 15.161 ( -0.000 -0.545 -1.110) 1.237 ======================= Grid point 278 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.052 2.095 -0.888) 3.064 1.669 ( 3.723 9.631 4.529) 11.275 1.888 ( -0.673 4.944 1.714) 5.275 2.006 ( -2.070 6.416 6.277) 9.211 2.247 ( 9.768 0.761 -2.955) 10.233 2.336 ( 0.684 1.353 2.421) 2.856 2.461 ( -4.945 0.280 2.770) 5.675 2.734 ( -6.054 1.579 -0.252) 6.261 2.863 ( 0.799 -7.721 -3.192) 8.393 3.036 ( -0.722 0.903 -0.250) 1.183 3.155 ( 3.317 5.998 3.521) 7.706 3.239 ( 4.074 -3.322 5.890) 7.895 3.333 ( -0.541 -2.168 0.287) 2.253 3.493 ( 0.028 2.557 1.958) 3.221 3.609 ( -2.828 1.730 4.540) 5.621 3.980 ( 0.395 -4.852 -0.832) 4.939 4.040 ( -3.536 6.793 -0.777) 7.697 4.235 ( 0.836 1.960 -2.309) 3.142 4.817 ( -1.654 -3.155 -4.002) 5.357 4.885 ( 1.240 -12.165 -7.862) 14.537 4.988 ( 0.309 0.933 -0.931) 1.354 5.806 ( 0.463 0.420 0.214) 0.661 5.815 ( -0.466 -0.311 1.886) 1.967 10.369 ( -0.014 -0.310 0.762) 0.823 10.641 ( 0.542 -0.024 -2.871) 2.922 11.370 ( -0.158 -1.582 -1.146) 1.960 11.488 ( -0.512 2.129 0.576) 2.264 14.757 ( -0.238 0.192 0.841) 0.894 15.092 ( 0.142 0.290 -0.341) 0.469 15.147 ( 0.110 -0.324 -0.941) 1.001 ======================= Grid point 279 (106/125) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.332 1.609 -0.250) 3.709 1.663 ( 11.067 1.416 2.670) 11.473 1.975 ( 0.535 7.322 0.715) 7.377 2.050 ( 13.837 0.702 -3.652) 14.328 2.133 ( -6.025 -1.912 0.690) 6.359 2.389 ( 2.774 6.110 2.063) 7.020 2.521 ( -1.847 -2.591 1.113) 3.371 2.765 ( -2.143 -3.140 -3.753) 5.342 2.830 ( -3.677 -1.280 4.853) 6.222 3.029 ( 1.803 0.331 -1.109) 2.143 3.140 ( 3.329 -2.368 2.008) 4.552 3.230 ( 2.662 1.808 5.695) 6.541 3.293 ( 0.247 -2.873 0.213) 2.891 3.545 ( 2.491 2.729 3.533) 5.112 3.693 ( -1.458 2.204 0.294) 2.659 3.935 ( -7.010 -5.138 2.253) 8.979 4.109 ( 2.998 1.162 -3.427) 4.699 4.313 ( -3.154 13.065 -1.978) 13.585 4.654 ( 0.061 -12.922 -4.076) 13.549 4.823 ( -4.815 -1.627 -3.514) 6.179 4.985 ( 0.407 0.414 -0.862) 1.039 5.804 ( 0.775 0.277 0.173) 0.841 5.840 ( -0.918 0.080 2.152) 2.341 10.373 ( -0.104 -0.079 0.589) 0.603 10.614 ( 0.411 -0.011 -2.151) 2.190 11.348 ( -0.539 -0.865 -1.624) 1.917 11.517 ( -0.224 0.977 0.602) 1.169 14.767 ( -0.158 0.073 0.570) 0.596 15.090 ( 0.201 0.125 -0.154) 0.282 15.137 ( -0.092 -0.106 -0.645) 0.660 ======================= Grid point 280 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 15.602 -0.000 0.093) 15.603 1.515 ( 2.856 -0.000 0.572) 2.913 1.799 ( 18.181 -0.000 -3.500) 18.515 2.044 ( 1.081 -0.000 -1.231) 1.639 2.174 ( -5.375 0.000 -0.322) 5.385 2.341 ( 12.159 -0.000 -3.550) 12.667 2.531 ( -3.197 0.000 3.343) 4.625 2.734 ( 1.048 -0.000 -2.273) 2.503 2.889 ( -2.172 0.000 1.014) 2.397 3.019 ( 2.530 0.000 3.629) 4.424 3.091 ( 2.971 -0.000 1.090) 3.165 3.249 ( 5.229 0.000 6.942) 8.691 3.288 ( -4.300 0.000 -3.141) 5.325 3.558 ( 1.280 0.000 4.345) 4.530 3.705 ( 0.195 -0.000 -1.592) 1.604 4.025 ( 2.355 -0.000 -2.809) 3.666 4.056 ( -9.150 0.000 1.019) 9.207 4.459 ( -0.044 -0.000 -2.250) 2.251 4.545 ( -5.964 0.000 0.199) 5.967 4.858 ( -5.097 0.000 -2.045) 5.492 4.976 ( 0.147 -0.000 -1.104) 1.114 5.796 ( 0.853 -0.000 0.210) 0.878 5.870 ( -1.173 0.000 1.514) 1.915 10.378 ( -0.178 0.000 0.273) 0.326 10.600 ( -0.338 -0.000 -1.126) 1.175 11.340 ( -0.946 -0.000 -1.521) 1.792 11.527 ( 0.213 0.000 0.599) 0.636 14.771 ( 0.200 0.000 0.237) 0.310 15.088 ( 0.148 -0.000 0.080) 0.168 15.137 ( -0.498 0.000 -0.346) 0.607 ======================= Grid point 281 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 16.305 -0.000 -0.000) 16.305 1.521 ( 2.420 -0.000 -0.000) 2.420 1.769 ( 18.961 -0.000 -0.000) 18.961 2.037 ( 1.676 -0.000 -0.000) 1.676 2.173 ( -4.845 0.000 0.000) 4.845 2.310 ( 14.079 -0.000 -0.000) 14.079 2.559 ( -3.741 0.000 0.000) 3.741 2.715 ( 1.039 -0.000 -0.000) 1.039 2.886 ( -1.278 0.000 0.000) 1.278 3.072 ( 4.062 -0.000 -0.000) 4.062 3.099 ( 3.075 -0.000 -0.000) 3.075 3.250 ( -6.502 0.000 0.000) 6.502 3.306 ( 5.540 -0.000 -0.000) 5.540 3.600 ( -1.758 0.000 0.000) 1.758 3.686 ( 2.992 -0.000 -0.000) 2.992 3.996 ( 3.695 -0.000 -0.000) 3.695 4.070 ( -10.184 0.000 0.000) 10.184 4.440 ( -1.160 0.000 0.000) 1.160 4.547 ( -6.201 0.000 0.000) 6.201 4.841 ( -5.839 0.000 0.000) 5.839 4.966 ( 0.601 -0.000 -0.000) 0.601 5.798 ( 0.786 -0.000 -0.000) 0.786 5.882 ( -1.022 0.000 0.000) 1.022 10.380 ( -0.018 0.000 0.000) 0.018 10.591 ( -0.718 0.000 0.000) 0.718 11.328 ( -0.821 0.000 0.000) 0.821 11.532 ( 0.082 -0.000 -0.000) 0.082 14.772 ( 0.329 -0.000 -0.000) 0.329 15.089 ( 0.074 -0.000 -0.000) 0.074 15.134 ( -0.641 0.000 0.000) 0.641 ======================= Grid point 287 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.000 7.531 -2.631) 7.978 1.607 ( 0.000 7.194 3.866) 8.167 1.813 ( 0.000 8.544 3.646) 9.289 1.995 ( 0.000 7.748 6.869) 10.355 2.258 ( 0.000 0.977 -1.343) 1.661 2.385 ( 0.000 -3.131 -3.072) 4.387 2.435 ( 0.000 2.845 6.646) 7.229 2.614 ( 0.000 8.220 -1.394) 8.338 2.969 ( 0.000 -9.633 -0.587) 9.651 3.007 ( 0.000 2.124 -0.484) 2.178 3.119 ( 0.000 5.751 0.960) 5.831 3.322 ( -0.000 3.605 6.763) 7.664 3.343 ( 0.000 1.262 4.015) 4.209 3.530 ( -0.000 -7.682 0.461) 7.696 3.605 ( -0.000 0.631 0.901) 1.100 3.863 ( -0.000 8.941 0.821) 8.979 4.132 ( -0.000 -11.980 -0.676) 11.999 4.213 ( 0.000 0.711 -1.274) 1.459 4.824 ( 0.000 -4.599 -2.706) 5.336 4.939 ( -0.000 -4.603 -8.951) 10.065 4.984 ( -0.000 -2.781 -1.380) 3.105 5.804 ( -0.000 0.704 0.060) 0.706 5.826 ( -0.000 0.074 1.136) 1.139 10.380 ( 0.000 -0.544 0.768) 0.942 10.622 ( -0.000 -0.041 -2.740) 2.740 11.390 ( 0.000 -2.830 -0.461) 2.867 11.456 ( 0.000 3.207 0.422) 3.235 14.760 ( 0.000 0.251 0.850) 0.886 15.086 ( 0.000 0.433 -0.362) 0.564 15.144 ( -0.000 -0.415 -0.971) 1.056 ======================= Grid point 288 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.471 4.647 -1.566) 5.490 1.711 ( 2.890 7.658 1.143) 8.265 1.909 ( -0.969 4.625 0.901) 4.811 2.107 ( 0.401 1.668 6.086) 6.323 2.202 ( 11.344 1.084 -2.293) 11.624 2.351 ( 0.171 5.390 -0.351) 5.404 2.526 ( -1.716 -0.227 4.651) 4.963 2.700 ( -6.247 0.480 -3.817) 7.336 2.879 ( -0.696 -6.031 4.626) 7.633 3.031 ( 0.029 1.215 -0.049) 1.216 3.134 ( -0.222 2.614 -4.539) 5.242 3.326 ( 2.765 -6.656 2.872) 7.758 3.378 ( 3.558 -0.232 5.396) 6.467 3.524 ( -1.752 3.793 2.212) 4.728 3.643 ( -0.792 4.077 -0.567) 4.192 3.983 ( 0.062 -3.662 1.029) 3.804 4.043 ( -3.659 5.340 1.300) 6.602 4.188 ( 1.230 0.395 -3.464) 3.697 4.753 ( -0.140 -7.432 -3.722) 8.313 4.783 ( -2.670 -6.905 -4.475) 8.650 4.979 ( 0.429 0.670 -0.407) 0.894 5.809 ( 0.520 0.575 0.182) 0.797 5.842 ( -0.490 0.343 1.274) 1.408 10.380 ( 0.099 -0.290 0.590) 0.664 10.601 ( 0.169 -0.038 -1.975) 1.983 11.354 ( -0.006 -2.199 -0.818) 2.346 11.496 ( -0.446 2.290 0.378) 2.363 14.769 ( -0.098 0.158 0.575) 0.605 15.088 ( 0.028 0.305 -0.220) 0.377 15.134 ( -0.013 -0.241 -0.637) 0.681 ======================= Grid point 289 (111/125) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.707 3.190 -0.298) 4.900 1.682 ( 10.374 0.660 0.167) 10.396 1.986 ( 0.828 6.589 0.556) 6.664 2.004 ( 15.727 0.655 -1.668) 15.828 2.149 ( -4.853 -4.192 0.906) 6.476 2.409 ( 5.694 6.511 0.492) 8.663 2.534 ( -0.742 -2.097 0.511) 2.283 2.722 ( -2.528 -1.739 -1.466) 3.401 2.885 ( -1.406 -2.476 1.369) 3.159 3.053 ( 0.593 2.063 3.434) 4.050 3.157 ( -1.791 -0.039 -0.076) 1.793 3.210 ( 0.594 -4.586 -3.040) 5.534 3.360 ( 4.684 -0.059 3.565) 5.886 3.586 ( 0.347 1.149 1.592) 1.994 3.689 ( 1.422 4.374 -0.600) 4.638 3.966 ( -6.960 -3.846 1.290) 8.056 4.071 ( 3.796 -2.215 -1.224) 4.562 4.284 ( -3.992 13.795 -1.272) 14.417 4.611 ( -2.000 -12.037 -1.325) 12.274 4.781 ( -5.565 -1.813 -1.576) 6.061 4.975 ( 0.671 0.376 -0.371) 0.853 5.807 ( 0.829 0.317 0.117) 0.896 5.864 ( -0.875 0.323 0.799) 1.228 10.380 ( 0.096 -0.069 0.273) 0.297 10.589 ( -0.114 -0.022 -0.893) 0.901 11.330 ( -0.332 -1.120 -0.664) 1.343 11.523 ( -0.268 1.060 0.241) 1.120 14.774 ( 0.035 0.059 0.230) 0.240 15.089 ( 0.021 0.137 -0.017) 0.140 15.129 ( -0.237 -0.079 -0.299) 0.390 ======================= Grid point 297 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 7.148 -1.488) 7.301 1.645 ( 0.000 6.726 1.153) 6.824 1.849 ( 0.000 4.620 1.036) 4.735 2.092 ( 0.000 15.408 4.381) 16.019 2.233 ( 0.000 -2.890 -1.396) 3.210 2.348 ( 0.000 -3.103 -1.518) 3.454 2.522 ( 0.000 5.793 3.116) 6.578 2.598 ( 0.000 3.665 -0.247) 3.674 2.993 ( 0.000 -5.749 3.526) 6.744 3.001 ( 0.000 2.447 -0.214) 2.457 3.069 ( -0.000 0.154 -5.349) 5.351 3.396 ( -0.000 3.342 2.430) 4.132 3.454 ( 0.000 2.767 8.218) 8.671 3.536 ( -0.000 -8.530 0.240) 8.533 3.566 ( -0.000 2.243 -5.389) 5.837 3.883 ( -0.000 9.263 1.083) 9.326 4.128 ( -0.000 -11.200 -0.031) 11.200 4.196 ( 0.000 -1.203 -0.658) 1.371 4.790 ( 0.000 -5.556 -1.292) 5.704 4.828 ( -0.000 -5.481 -3.951) 6.757 4.978 ( -0.000 -0.559 -0.100) 0.568 5.805 ( -0.000 0.797 0.084) 0.802 5.839 ( -0.000 0.715 0.459) 0.849 10.390 ( 0.000 -0.545 0.344) 0.644 10.590 ( -0.000 -0.072 -1.119) 1.121 11.384 ( 0.000 -3.366 -0.227) 3.374 11.460 ( 0.000 3.337 0.166) 3.342 14.769 ( -0.000 0.215 0.351) 0.412 15.081 ( 0.000 0.447 -0.158) 0.474 15.133 ( -0.000 -0.329 -0.382) 0.504 ======================= Grid point 298 (113/125) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 2.580 5.770 0.000) 6.320 1.718 ( 2.644 6.393 0.000) 6.919 1.916 ( -1.144 4.566 0.000) 4.707 2.168 ( -0.831 -4.756 -0.000) 4.828 2.178 ( 13.269 4.000 -0.000) 13.859 2.342 ( 0.383 8.832 0.000) 8.841 2.576 ( 1.292 -2.489 -0.000) 2.804 2.655 ( -6.970 1.738 0.000) 7.184 2.938 ( 0.050 -5.993 -0.000) 5.993 3.051 ( 0.947 2.495 0.000) 2.669 3.059 ( -4.358 2.203 0.000) 4.883 3.345 ( 3.397 -8.612 -0.000) 9.258 3.431 ( 4.539 0.112 -0.000) 4.541 3.555 ( -3.626 1.214 0.000) 3.824 3.619 ( 0.806 8.536 0.000) 8.574 3.995 ( -0.440 -5.375 -0.000) 5.393 4.065 ( -4.389 9.410 0.000) 10.383 4.149 ( 2.608 -2.942 -0.000) 3.932 4.721 ( -0.511 -9.818 -0.000) 9.832 4.748 ( -3.455 -4.062 0.000) 5.333 4.975 ( 0.493 0.500 -0.000) 0.702 5.811 ( 0.541 0.618 -0.000) 0.822 5.852 ( -0.484 0.587 0.000) 0.761 10.385 ( 0.147 -0.278 -0.000) 0.314 10.585 ( 0.018 -0.051 -0.000) 0.054 11.347 ( 0.051 -2.430 -0.000) 2.431 11.499 ( -0.423 2.352 0.000) 2.390 14.773 ( -0.038 0.144 0.000) 0.149 15.086 ( -0.049 0.314 0.000) 0.318 15.128 ( -0.035 -0.210 -0.000) 0.213 ======================= Grid point 323 (114/125) ======================= q-point: ( 0.44 0.78 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 3.437 0.000 0.583) 3.486 1.484 ( 3.478 -0.000 -0.488) 3.512 1.955 ( 8.385 -0.000 1.691) 8.554 2.111 ( -7.217 -0.000 0.360) 7.226 2.217 ( -5.695 -0.000 -1.979) 6.029 2.344 ( 1.748 -0.000 -3.541) 3.949 2.526 ( 3.499 -0.000 10.309) 10.886 2.711 ( 1.866 -0.000 -12.579) 12.717 2.885 ( 6.285 0.000 5.744) 8.514 2.903 ( -0.413 0.000 3.134) 3.161 2.978 ( 5.279 -0.000 -2.837) 5.993 3.137 ( -3.947 -0.000 -3.949) 5.584 3.272 ( 1.159 -0.000 4.864) 5.000 3.360 ( -0.943 -0.000 -4.494) 4.592 3.738 ( 0.804 -0.000 0.129) 0.815 3.953 ( -12.151 -0.000 -0.693) 12.170 4.211 ( 3.484 -0.000 1.371) 3.744 4.533 ( -4.225 -0.000 -0.121) 4.227 4.602 ( 7.279 -0.000 1.372) 7.407 4.979 ( 0.541 -0.000 1.398) 1.499 5.020 ( -4.110 -0.000 -0.076) 4.111 5.755 ( -1.161 -0.000 -1.189) 1.662 5.800 ( 0.681 -0.000 0.126) 0.693 10.368 ( -1.193 0.000 -0.046) 1.194 10.660 ( 2.286 -0.000 0.482) 2.336 11.427 ( -1.806 0.000 0.769) 1.963 11.492 ( 0.964 -0.000 -0.319) 1.016 14.756 ( -0.690 -0.000 -0.125) 0.701 15.095 ( 0.508 0.000 0.142) 0.528 15.147 ( 0.660 -0.000 0.016) 0.660 ======================= Grid point 333 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 3.847 3.832 -0.000) 5.430 1.553 ( 3.162 -1.394 -0.000) 3.456 1.954 ( -5.510 5.890 0.000) 8.065 2.050 ( -6.017 10.165 0.000) 11.812 2.104 ( 4.597 -5.208 -0.000) 6.947 2.336 ( -4.214 -1.660 0.000) 4.529 2.559 ( -4.669 -0.928 0.000) 4.761 2.761 ( 12.527 1.657 -0.000) 12.637 2.862 ( -2.342 2.669 0.000) 3.551 2.995 ( 3.834 4.705 0.000) 6.069 3.016 ( 1.498 -6.107 -0.000) 6.288 3.147 ( -0.693 -5.789 -0.000) 5.830 3.314 ( 0.775 -0.574 -0.000) 0.965 3.328 ( 1.300 -0.230 -0.000) 1.320 3.662 ( -5.488 8.454 0.000) 10.079 3.901 ( -4.271 -10.689 -0.000) 11.511 4.258 ( 3.442 1.002 -0.000) 3.585 4.332 ( -3.069 17.326 0.000) 17.596 4.841 ( 6.063 -15.394 -0.000) 16.545 4.954 ( -4.794 0.082 0.000) 4.794 5.001 ( 1.607 0.003 -0.000) 1.607 5.745 ( -0.516 -0.953 -0.000) 1.084 5.806 ( 0.349 0.057 -0.000) 0.353 10.355 ( -0.713 -0.065 0.000) 0.716 10.692 ( 2.088 -0.026 -0.000) 2.088 11.409 ( -1.259 0.043 0.000) 1.260 11.493 ( -0.105 0.699 0.000) 0.707 14.746 ( -0.735 0.113 0.000) 0.744 15.100 ( 0.354 0.118 -0.000) 0.373 15.159 ( 0.758 -0.226 -0.000) 0.791 ======================= Grid point 342 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 3.638 0.000) 3.638 1.621 ( 0.000 3.285 0.000) 3.285 1.831 ( 0.000 0.386 0.000) 0.386 1.947 ( 0.000 8.285 0.000) 8.285 2.202 ( -0.000 -2.751 -0.000) 2.751 2.261 ( 0.000 0.255 0.000) 0.255 2.477 ( -0.000 -2.905 -0.000) 2.905 2.825 ( 0.000 4.101 0.000) 4.101 2.983 ( 0.000 1.974 0.000) 1.974 3.019 ( -0.000 -5.470 -0.000) 5.470 3.086 ( 0.000 4.893 0.000) 4.893 3.094 ( -0.000 -3.511 -0.000) 3.511 3.326 ( 0.000 0.035 0.000) 0.035 3.362 ( -0.000 -1.046 -0.000) 1.046 3.531 ( 0.000 7.758 0.000) 7.758 3.866 ( -0.000 -12.342 -0.000) 12.342 4.283 ( 0.000 18.727 0.000) 18.727 4.314 ( 0.000 1.587 0.000) 1.587 4.878 ( -0.000 -0.472 -0.000) 0.472 4.931 ( -0.000 -13.700 -0.000) 13.700 5.030 ( -0.000 -2.778 -0.000) 2.778 5.741 ( -0.000 -1.008 -0.000) 1.008 5.810 ( -0.000 -0.083 -0.000) 0.083 10.346 ( -0.000 -0.228 -0.000) 0.228 10.722 ( -0.000 -0.044 -0.000) 0.044 11.392 ( -0.000 -0.146 -0.000) 0.146 11.487 ( 0.000 1.089 0.000) 1.089 14.735 ( 0.000 0.139 0.000) 0.139 15.105 ( 0.000 0.160 0.000) 0.160 15.170 ( -0.000 -0.277 -0.000) 0.277 ======================= Grid point 343 (117/125) ======================= q-point: (-0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 1.828 -0.000 0.426) 1.877 1.613 ( 5.828 -0.000 3.046) 6.576 1.900 ( -7.611 0.000 1.711) 7.801 2.029 ( -4.711 0.000 -0.275) 4.719 2.154 ( 5.435 -0.000 2.161) 5.849 2.294 ( -2.987 0.000 2.564) 3.936 2.479 ( -3.651 0.000 -2.563) 4.461 2.854 ( -0.758 -0.000 -2.510) 2.621 2.947 ( 8.511 -0.000 4.606) 9.678 2.953 ( 0.300 -0.000 -6.234) 6.241 3.070 ( -1.005 0.000 0.730) 1.243 3.109 ( 2.823 -0.000 1.842) 3.371 3.330 ( 2.063 -0.000 0.397) 2.101 3.355 ( 0.125 0.000 3.843) 3.845 3.667 ( -8.232 0.000 1.016) 8.295 3.760 ( 0.465 -0.000 -1.012) 1.113 4.300 ( 2.562 -0.000 -1.327) 2.885 4.441 ( -2.169 0.000 -0.243) 2.183 4.770 ( 4.167 -0.000 -2.621) 4.923 4.893 ( -3.363 0.000 -1.316) 3.611 5.016 ( 0.775 -0.000 -0.158) 0.790 5.739 ( -0.177 0.000 1.035) 1.050 5.809 ( 0.120 -0.000 -0.014) 0.121 10.348 ( -0.331 0.000 0.199) 0.386 10.710 ( 1.182 -0.000 -0.890) 1.479 11.394 ( -0.694 0.000 -0.576) 0.902 11.496 ( -0.238 0.000 0.253) 0.347 14.739 ( -0.438 0.000 0.261) 0.510 15.104 ( 0.203 -0.000 -0.110) 0.231 15.164 ( 0.436 -0.000 -0.291) 0.524 ======================= Grid point 353 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -0.000 1.422 1.341) 1.955 1.669 ( 0.000 6.017 6.139) 8.596 1.853 ( 0.000 0.436 2.756) 2.790 1.956 ( 0.000 6.861 1.094) 6.948 2.239 ( 0.000 -2.518 4.487) 5.145 2.287 ( 0.000 1.641 3.302) 3.687 2.444 ( 0.000 -2.426 -3.668) 4.398 2.789 ( 0.000 3.909 -3.907) 5.527 2.940 ( 0.000 -5.651 -7.774) 9.610 3.012 ( -0.000 2.042 2.862) 3.516 3.109 ( 0.000 -4.456 2.093) 4.924 3.129 ( 0.000 4.575 4.819) 6.645 3.347 ( 0.000 -1.308 -1.820) 2.242 3.407 ( -0.000 0.036 8.267) 8.267 3.539 ( -0.000 8.339 0.953) 8.393 3.856 ( -0.000 -12.607 -1.135) 12.658 4.257 ( 0.000 14.069 -2.856) 14.356 4.316 ( -0.000 5.853 -0.168) 5.855 4.860 ( 0.000 -0.714 -2.257) 2.368 4.892 ( -0.000 -15.173 -4.891) 15.942 5.021 ( 0.000 -0.909 -0.930) 1.300 5.755 ( -0.000 -0.814 1.707) 1.891 5.810 ( -0.000 -0.018 0.011) 0.021 10.350 ( 0.000 -0.215 0.421) 0.473 10.707 ( -0.000 -0.036 -1.813) 1.813 11.385 ( 0.000 -0.302 -0.915) 0.963 11.491 ( 0.000 1.115 0.460) 1.206 14.739 ( 0.000 0.133 0.536) 0.552 15.103 ( 0.000 0.161 -0.200) 0.257 15.165 ( -0.000 -0.259 -0.634) 0.685 ======================= Grid point 354 (119/125) ======================= q-point: (-0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 1.886 -0.000 0.775) 2.039 1.694 ( 8.491 -0.000 6.506) 10.697 1.949 ( -6.862 0.000 4.004) 7.945 2.025 ( -4.104 0.000 -0.161) 4.107 2.208 ( 7.297 -0.000 3.789) 8.222 2.365 ( -3.354 0.000 5.884) 6.773 2.424 ( -2.495 -0.000 -3.153) 4.021 2.800 ( -1.689 -0.000 -4.097) 4.431 2.829 ( 0.127 -0.000 -7.651) 7.652 3.045 ( 4.195 0.000 6.738) 7.938 3.072 ( -0.949 0.000 -0.401) 1.031 3.164 ( 4.896 0.000 5.158) 7.111 3.311 ( 1.145 -0.000 -2.298) 2.567 3.464 ( 1.606 0.000 8.090) 8.248 3.699 ( -7.889 0.000 3.040) 8.455 3.732 ( -0.171 -0.000 -2.400) 2.406 4.261 ( 2.583 -0.000 -3.567) 4.404 4.434 ( -2.429 0.000 -0.613) 2.505 4.694 ( 3.323 -0.000 -6.684) 7.464 4.854 ( -3.204 -0.000 -3.470) 4.723 5.011 ( 0.517 -0.000 -0.553) 0.757 5.769 ( -0.317 0.000 2.505) 2.525 5.809 ( 0.236 -0.000 0.060) 0.244 10.354 ( -0.242 0.000 0.572) 0.621 10.683 ( 0.935 -0.000 -2.358) 2.537 11.377 ( -0.558 -0.000 -1.478) 1.580 11.504 ( -0.230 0.000 0.635) 0.675 14.747 ( -0.355 0.000 0.681) 0.768 15.101 ( 0.222 -0.000 -0.286) 0.362 15.156 ( 0.268 -0.000 -0.741) 0.788 ======================= Grid point 364 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -0.000 0.628 0.749) 0.977 1.780 ( 0.000 8.205 6.434) 10.427 1.909 ( 0.000 1.722 3.660) 4.045 1.982 ( 0.000 2.649 2.419) 3.587 2.332 ( 0.000 -1.925 6.988) 7.248 2.352 ( 0.000 4.267 3.346) 5.422 2.382 ( 0.000 -1.261 -2.580) 2.871 2.727 ( 0.000 2.155 -3.312) 3.951 2.821 ( 0.000 -5.925 -6.452) 8.760 3.045 ( 0.000 1.964 1.029) 2.217 3.163 ( -0.000 -6.145 4.291) 7.495 3.217 ( 0.000 4.781 5.036) 6.943 3.310 ( 0.000 -2.089 -1.961) 2.865 3.542 ( -0.000 0.357 8.298) 8.306 3.559 ( -0.000 9.355 1.454) 9.467 3.840 ( -0.000 -12.840 -0.558) 12.852 4.203 ( 0.000 10.728 -3.720) 11.355 4.304 ( -0.000 8.098 -1.438) 8.224 4.787 ( -0.000 -15.533 -7.968) 17.458 4.810 ( 0.000 -1.280 -3.959) 4.161 5.006 ( -0.000 0.383 -0.897) 0.975 5.789 ( -0.000 -0.379 2.514) 2.542 5.812 ( -0.000 0.124 0.166) 0.207 10.359 ( 0.000 -0.187 0.763) 0.785 10.668 ( -0.000 -0.021 -2.946) 2.946 11.365 ( 0.000 -0.674 -1.460) 1.608 11.500 ( 0.000 1.183 0.704) 1.376 14.750 ( 0.000 0.118 0.858) 0.866 15.099 ( 0.000 0.165 -0.343) 0.380 15.152 ( -0.000 -0.214 -0.964) 0.987 ======================= Grid point 365 (121/125) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.085 -0.000 0.646) 2.183 1.790 ( 9.916 -0.000 4.760) 10.999 2.006 ( -4.287 0.000 2.850) 5.148 2.026 ( -4.082 0.000 0.215) 4.087 2.234 ( 10.995 -0.000 -0.990) 11.040 2.419 ( -3.004 0.000 2.857) 4.146 2.455 ( -1.773 0.000 4.892) 5.203 2.732 ( -3.111 -0.000 -4.279) 5.291 2.760 ( -1.657 0.000 -0.047) 1.657 3.060 ( 0.864 -0.000 -1.041) 1.353 3.131 ( 2.101 0.000 3.954) 4.478 3.260 ( -1.151 -0.000 -4.135) 4.292 3.268 ( 5.376 0.000 7.657) 9.356 3.581 ( 3.596 0.000 5.981) 6.979 3.696 ( -1.564 0.000 -1.508) 2.173 3.760 ( -6.978 0.000 4.443) 8.272 4.195 ( 2.677 -0.000 -4.621) 5.340 4.423 ( -2.838 0.000 -0.702) 2.924 4.575 ( 1.875 -0.000 -7.829) 8.051 4.790 ( -3.344 -0.000 -4.436) 5.556 5.000 ( 0.409 -0.000 -0.794) 0.893 5.811 ( -0.125 0.000 1.917) 1.921 5.812 ( 0.061 0.000 0.989) 0.991 10.365 ( -0.096 0.000 0.789) 0.795 10.641 ( 0.534 -0.000 -2.868) 2.918 11.351 ( -0.357 -0.000 -1.739) 1.775 11.515 ( -0.208 0.000 0.719) 0.749 14.759 ( -0.214 0.000 0.811) 0.839 15.096 ( 0.190 -0.000 -0.331) 0.381 15.143 ( 0.054 -0.000 -0.863) 0.864 ======================= Grid point 374 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 1.408 0.252) 1.430 1.837 ( 0.000 8.331 0.637) 8.355 1.948 ( 0.000 4.419 1.402) 4.636 2.039 ( 0.000 -2.771 4.384) 5.186 2.315 ( 0.000 -0.945 -3.127) 3.267 2.436 ( 0.000 7.613 4.276) 8.731 2.443 ( 0.000 -2.069 6.600) 6.916 2.677 ( 0.000 -0.657 -4.023) 4.077 2.781 ( 0.000 -3.866 2.592) 4.654 3.050 ( 0.000 1.539 -0.097) 1.542 3.200 ( 0.000 1.413 -5.538) 5.715 3.223 ( -0.000 -7.340 3.011) 7.934 3.360 ( 0.000 0.095 6.360) 6.361 3.577 ( -0.000 8.375 0.644) 8.400 3.653 ( -0.000 1.932 5.493) 5.822 3.848 ( -0.000 -11.191 1.607) 11.306 4.151 ( 0.000 6.812 -2.579) 7.284 4.270 ( -0.000 10.028 -2.778) 10.406 4.664 ( -0.000 -14.574 -6.912) 16.129 4.743 ( 0.000 -1.890 -4.186) 4.593 4.994 ( -0.000 0.494 -0.713) 0.867 5.816 ( -0.000 0.257 0.304) 0.397 5.827 ( -0.000 0.034 2.113) 2.113 10.372 ( 0.000 -0.156 0.808) 0.823 10.621 ( -0.000 -0.018 -2.763) 2.763 11.342 ( 0.000 -1.061 -1.357) 1.723 11.511 ( 0.000 1.260 0.618) 1.404 14.764 ( 0.000 0.099 0.798) 0.804 15.093 ( 0.000 0.171 -0.344) 0.384 15.137 ( -0.000 -0.162 -0.841) 0.856 ======================= Grid point 375 (123/125) ======================= q-point: (-0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.350 -0.000 0.424) 2.388 1.824 ( 8.413 -0.000 -0.246) 8.417 2.031 ( -4.226 0.000 0.368) 4.242 2.041 ( -1.125 0.000 1.932) 2.236 2.203 ( 11.425 -0.000 -2.111) 11.618 2.479 ( -1.248 0.000 3.478) 3.695 2.513 ( 2.190 0.000 2.683) 3.463 2.674 ( -4.278 0.000 -2.787) 5.106 2.817 ( -2.476 0.000 5.537) 6.066 3.049 ( 1.091 -0.000 0.182) 1.106 3.174 ( 2.421 -0.000 1.683) 2.949 3.181 ( -3.259 -0.000 -5.889) 6.730 3.379 ( 3.841 0.000 5.710) 6.882 3.620 ( 2.573 -0.000 -0.337) 2.595 3.714 ( -0.213 0.000 3.063) 3.071 3.827 ( -5.748 0.000 3.632) 6.799 4.127 ( 2.853 -0.000 -3.620) 4.609 4.414 ( -3.207 0.000 -0.464) 3.241 4.467 ( 0.355 -0.000 -5.431) 5.442 4.726 ( -3.753 0.000 -3.378) 5.049 4.988 ( 0.446 -0.000 -0.585) 0.736 5.816 ( 0.520 -0.000 0.267) 0.584 5.846 ( -0.522 0.000 1.640) 1.721 10.377 ( 0.039 0.000 0.615) 0.616 10.601 ( 0.164 -0.000 -1.990) 1.997 11.327 ( -0.183 -0.000 -1.181) 1.195 11.524 ( -0.190 0.000 0.471) 0.508 14.771 ( -0.075 0.000 0.554) 0.559 15.091 ( 0.069 -0.000 -0.208) 0.219 15.131 ( -0.063 -0.000 -0.589) 0.593 ======================= Grid point 376 (124/125) ======================= q-point: ( 0.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.472 -0.000 -0.000) 2.472 1.814 ( 7.253 -0.000 -0.000) 7.253 2.034 ( -4.336 0.000 0.000) 4.336 2.060 ( 0.177 -0.000 -0.000) 0.177 2.184 ( 11.600 -0.000 -0.000) 11.600 2.508 ( -0.583 0.000 0.000) 0.583 2.536 ( 3.835 -0.000 -0.000) 3.835 2.651 ( -4.773 0.000 0.000) 4.773 2.872 ( 0.318 -0.000 -0.000) 0.318 3.087 ( -4.797 0.000 0.000) 4.797 3.090 ( -0.808 0.000 0.000) 0.808 3.187 ( 2.608 -0.000 -0.000) 2.608 3.427 ( 3.154 -0.000 -0.000) 3.154 3.614 ( 1.366 -0.000 -0.000) 1.366 3.743 ( 1.165 -0.000 -0.000) 1.165 3.858 ( -5.136 0.000 0.000) 5.136 4.095 ( 2.970 -0.000 -0.000) 2.970 4.410 ( -3.357 0.000 0.000) 3.357 4.421 ( -0.358 0.000 0.000) 0.358 4.697 ( -3.999 0.000 0.000) 3.999 4.983 ( 0.479 -0.000 -0.000) 0.479 5.818 ( 0.560 -0.000 -0.000) 0.560 5.859 ( -0.526 0.000 0.000) 0.526 10.382 ( 0.094 -0.000 -0.000) 0.094 10.584 ( 0.014 -0.000 -0.000) 0.014 11.317 ( -0.113 0.000 0.000) 0.113 11.528 ( -0.184 0.000 0.000) 0.184 14.775 ( -0.014 0.000 0.000) 0.014 15.090 ( -0.014 0.000 0.000) 0.014 15.126 ( -0.079 0.000 0.000) 0.079 ======================= Grid point 384 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 2.686 -0.061) 2.687 1.826 ( 0.000 6.630 -0.950) 6.697 1.961 ( 0.000 4.746 0.366) 4.760 2.095 ( 0.000 -4.806 2.100) 5.245 2.280 ( 0.000 -1.018 -1.188) 1.564 2.485 ( 0.000 10.194 1.658) 10.328 2.523 ( 0.000 -3.695 3.082) 4.812 2.620 ( 0.000 -0.160 -2.479) 2.484 2.864 ( 0.000 -2.503 5.620) 6.152 3.047 ( 0.000 1.166 -0.208) 1.184 3.102 ( 0.000 0.951 -5.509) 5.591 3.254 ( 0.000 -7.922 0.951) 7.979 3.443 ( 0.000 -0.882 3.238) 3.356 3.580 ( -0.000 6.142 -0.015) 6.142 3.708 ( -0.000 5.058 1.503) 5.277 3.877 ( -0.000 -8.715 1.364) 8.821 4.132 ( 0.000 -0.104 0.078) 0.130 4.224 ( -0.000 14.099 -2.432) 14.307 4.587 ( -0.000 -13.500 -2.587) 13.746 4.691 ( 0.000 -2.311 -1.924) 3.007 4.985 ( -0.000 0.394 -0.282) 0.485 5.820 ( -0.000 0.330 0.163) 0.368 5.851 ( -0.000 0.267 0.810) 0.853 10.382 ( 0.000 -0.133 0.363) 0.387 10.589 ( -0.000 -0.026 -1.141) 1.141 11.327 ( 0.000 -1.298 -0.558) 1.413 11.518 ( 0.000 1.311 0.244) 1.334 14.773 ( 0.000 0.085 0.328) 0.339 15.089 ( 0.000 0.176 -0.149) 0.231 15.127 ( -0.000 -0.128 -0.330) 0.354 =================== 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 3/21870 10.0 151.328 162.065 206.875 0.000 -0.000 0.000 3/21870 20.0 26.810 32.147 28.346 0.000 -0.000 0.000 3/21870 30.0 11.394 13.690 10.807 0.000 -0.000 0.000 3/21870 40.0 6.771 8.113 6.091 0.000 -0.000 0.000 3/21870 50.0 4.749 5.677 4.157 0.000 -0.000 0.000 3/21870 60.0 3.663 4.367 3.159 0.000 -0.000 0.000 3/21870 70.0 3.001 3.562 2.570 0.000 -0.000 0.000 3/21870 80.0 2.561 3.019 2.189 0.000 -0.000 0.000 3/21870 90.0 2.249 2.628 1.927 0.000 -0.000 0.000 3/21870 100.0 2.017 2.332 1.736 0.000 -0.000 0.000 3/21870 110.0 1.836 2.100 1.590 0.000 -0.000 0.000 3/21870 120.0 1.691 1.912 1.474 0.000 -0.000 0.000 3/21870 130.0 1.571 1.757 1.378 0.000 -0.000 0.000 3/21870 140.0 1.469 1.626 1.297 0.000 -0.000 0.000 3/21870 150.0 1.381 1.514 1.227 0.000 -0.000 0.000 3/21870 160.0 1.304 1.417 1.165 0.000 -0.000 0.000 3/21870 170.0 1.236 1.331 1.109 0.000 -0.000 0.000 3/21870 180.0 1.174 1.256 1.059 0.000 -0.000 0.000 3/21870 190.0 1.119 1.189 1.013 0.000 -0.000 0.000 3/21870 200.0 1.069 1.129 0.972 0.000 -0.000 0.000 3/21870 210.0 1.023 1.075 0.933 0.000 -0.000 0.000 3/21870 220.0 0.982 1.026 0.897 0.000 -0.000 0.000 3/21870 230.0 0.943 0.981 0.864 0.000 -0.000 0.000 3/21870 240.0 0.907 0.940 0.833 0.000 -0.000 0.000 3/21870 250.0 0.874 0.902 0.805 0.000 -0.000 0.000 3/21870 260.0 0.843 0.868 0.778 0.000 -0.000 0.000 3/21870 270.0 0.814 0.835 0.752 0.000 -0.000 0.000 3/21870 280.0 0.787 0.806 0.729 0.000 -0.000 0.000 3/21870 290.0 0.762 0.778 0.706 0.000 -0.000 0.000 3/21870 300.0 0.738 0.752 0.685 0.000 -0.000 0.000 3/21870 310.0 0.716 0.728 0.665 0.000 -0.000 0.000 3/21870 320.0 0.695 0.705 0.647 0.000 -0.000 0.000 3/21870 330.0 0.675 0.684 0.629 0.000 -0.000 0.000 3/21870 340.0 0.657 0.663 0.612 0.000 -0.000 0.000 3/21870 350.0 0.639 0.645 0.596 0.000 -0.000 0.000 3/21870 360.0 0.622 0.627 0.581 0.000 -0.000 0.000 3/21870 370.0 0.606 0.610 0.566 0.000 -0.000 0.000 3/21870 380.0 0.591 0.594 0.552 0.000 -0.000 0.000 3/21870 390.0 0.576 0.578 0.539 0.000 -0.000 0.000 3/21870 400.0 0.563 0.564 0.527 0.000 -0.000 0.000 3/21870 410.0 0.549 0.550 0.515 0.000 -0.000 0.000 3/21870 420.0 0.537 0.537 0.503 0.000 -0.000 0.000 3/21870 430.0 0.525 0.525 0.492 0.000 -0.000 0.000 3/21870 440.0 0.513 0.513 0.481 0.000 -0.000 0.000 3/21870 450.0 0.502 0.501 0.471 0.000 -0.000 0.000 3/21870 460.0 0.492 0.491 0.462 0.000 -0.000 0.000 3/21870 470.0 0.482 0.480 0.452 0.000 -0.000 0.000 3/21870 480.0 0.472 0.470 0.443 0.000 -0.000 0.000 3/21870 490.0 0.463 0.461 0.435 0.000 -0.000 0.000 3/21870 500.0 0.454 0.451 0.426 0.000 -0.000 0.000 3/21870 510.0 0.445 0.443 0.418 0.000 -0.000 0.000 3/21870 520.0 0.437 0.434 0.411 0.000 -0.000 0.000 3/21870 530.0 0.429 0.426 0.403 0.000 -0.000 0.000 3/21870 540.0 0.421 0.418 0.396 0.000 -0.000 0.000 3/21870 550.0 0.413 0.410 0.389 0.000 -0.000 0.000 3/21870 560.0 0.406 0.403 0.382 0.000 -0.000 0.000 3/21870 570.0 0.399 0.396 0.376 0.000 -0.000 0.000 3/21870 580.0 0.392 0.389 0.370 0.000 -0.000 0.000 3/21870 590.0 0.386 0.383 0.364 0.000 -0.000 0.000 3/21870 600.0 0.380 0.376 0.358 0.000 -0.000 0.000 3/21870 610.0 0.374 0.370 0.352 0.000 -0.000 0.000 3/21870 620.0 0.368 0.364 0.346 0.000 -0.000 0.000 3/21870 630.0 0.362 0.358 0.341 0.000 -0.000 0.000 3/21870 640.0 0.356 0.353 0.336 0.000 -0.000 0.000 3/21870 650.0 0.351 0.347 0.331 0.000 -0.000 0.000 3/21870 660.0 0.346 0.342 0.326 0.000 -0.000 0.000 3/21870 670.0 0.341 0.337 0.321 0.000 -0.000 0.000 3/21870 680.0 0.336 0.332 0.317 0.000 -0.000 0.000 3/21870 690.0 0.331 0.327 0.312 0.000 -0.000 0.000 3/21870 700.0 0.326 0.323 0.308 0.000 -0.000 0.000 3/21870 710.0 0.322 0.318 0.304 0.000 -0.000 0.000 3/21870 720.0 0.317 0.314 0.299 0.000 -0.000 0.000 3/21870 730.0 0.313 0.309 0.295 0.000 -0.000 0.000 3/21870 740.0 0.309 0.305 0.292 0.000 -0.000 0.000 3/21870 750.0 0.305 0.301 0.288 0.000 -0.000 0.000 3/21870 760.0 0.301 0.297 0.284 0.000 -0.000 0.000 3/21870 770.0 0.297 0.293 0.280 0.000 -0.000 0.000 3/21870 780.0 0.293 0.289 0.277 0.000 -0.000 0.000 3/21870 790.0 0.290 0.286 0.273 0.000 -0.000 0.000 3/21870 800.0 0.286 0.282 0.270 0.000 -0.000 0.000 3/21870 810.0 0.283 0.279 0.267 0.000 -0.000 0.000 3/21870 820.0 0.279 0.275 0.264 0.000 -0.000 0.000 3/21870 830.0 0.276 0.272 0.261 0.000 -0.000 0.000 3/21870 840.0 0.273 0.269 0.257 0.000 -0.000 0.000 3/21870 850.0 0.269 0.266 0.254 0.000 -0.000 0.000 3/21870 860.0 0.266 0.263 0.252 0.000 -0.000 0.000 3/21870 870.0 0.263 0.260 0.249 0.000 -0.000 0.000 3/21870 880.0 0.260 0.257 0.246 0.000 -0.000 0.000 3/21870 890.0 0.257 0.254 0.243 0.000 -0.000 0.000 3/21870 900.0 0.255 0.251 0.241 0.000 -0.000 0.000 3/21870 910.0 0.252 0.248 0.238 0.000 -0.000 0.000 3/21870 920.0 0.249 0.245 0.235 0.000 -0.000 0.000 3/21870 930.0 0.246 0.243 0.233 0.000 -0.000 0.000 3/21870 940.0 0.244 0.240 0.230 0.000 -0.000 0.000 3/21870 950.0 0.241 0.238 0.228 0.000 -0.000 0.000 3/21870 960.0 0.239 0.235 0.226 0.000 -0.000 0.000 3/21870 970.0 0.236 0.233 0.223 0.000 -0.000 0.000 3/21870 980.0 0.234 0.230 0.221 0.000 -0.000 0.000 3/21870 990.0 0.232 0.228 0.219 0.000 -0.000 0.000 3/21870 1000.0 0.229 0.226 0.217 0.000 -0.000 0.000 3/21870 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:50:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|