----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.854058171054347 0.000000000000000 0.000000000000000 b -2.927029085527173 5.069763091364933 0.000000000000000 c 0.000000000000000 0.000000000000000 4.817499270000000 Atomic positions (fractional): *1 F 0.85130632922739 0.14869367077261 0.78745578448515 18.998 2 F 0.85130632922739 0.70261265845479 0.78745578448515 18.998 3 F 0.29738734154522 0.14869367077261 0.78745578448515 18.998 4 F 0.14869367077261 0.85130632922739 0.21254421551485 18.998 5 F 0.14869367077261 0.29738734154522 0.21254421551485 18.998 6 F 0.70261265845479 0.85130632922739 0.21254421551485 18.998 *7 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 *8 Rb 0.33333333333333 0.66666666666667 0.70206016435973 85.468 9 Rb 0.66666666666667 0.33333333333333 0.29793983564027 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.854058171054347 0.000000000000000 0.000000000000000 b -2.927029085527173 5.069763091364933 0.000000000000000 c 0.000000000000000 0.000000000000000 4.817499270000000 Atomic positions (fractional): *1 F 0.85130632922739 0.14869367077261 0.78745578448515 18.998 > 1 2 F 0.85130632922739 0.70261265845479 0.78745578448515 18.998 > 2 3 F 0.29738734154522 0.14869367077261 0.78745578448515 18.998 > 3 4 F 0.14869367077261 0.85130632922739 0.21254421551485 18.998 > 4 5 F 0.14869367077261 0.29738734154522 0.21254421551485 18.998 > 5 6 F 0.70261265845479 0.85130632922739 0.21254421551485 18.998 > 6 *7 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 7 *8 Rb 0.33333333333333 0.66666666666667 0.70206016435973 85.468 > 8 9 Rb 0.66666666666667 0.33333333333333 0.29793983564027 85.468 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.708116342108694 0.000000000000000 0.000000000000000 b -5.854058171054346 10.139526182729867 0.000000000000000 c 0.000000000000000 0.000000000000000 14.452497810000001 Atomic positions (fractional): *1 F 0.42565316461370 0.07434683538630 0.26248526149505 18.998 > 1 2 F 0.92565316461370 0.07434683538630 0.26248526149505 18.998 > 1 3 F 0.42565316461370 0.57434683538630 0.26248526149505 18.998 > 1 4 F 0.92565316461370 0.57434683538630 0.26248526149505 18.998 > 1 5 F 0.42565316461370 0.07434683538630 0.59581859482838 18.998 > 1 6 F 0.92565316461370 0.07434683538630 0.59581859482838 18.998 > 1 7 F 0.42565316461370 0.57434683538630 0.59581859482838 18.998 > 1 8 F 0.92565316461370 0.57434683538630 0.59581859482838 18.998 > 1 9 F 0.42565316461370 0.07434683538630 0.92915192816172 18.998 > 1 10 F 0.92565316461370 0.07434683538630 0.92915192816172 18.998 > 1 11 F 0.42565316461370 0.57434683538630 0.92915192816172 18.998 > 1 12 F 0.92565316461370 0.57434683538630 0.92915192816172 18.998 > 1 13 F 0.42565316461370 0.35130632922739 0.26248526149505 18.998 > 2 14 F 0.92565316461370 0.35130632922739 0.26248526149505 18.998 > 2 15 F 0.42565316461370 0.85130632922739 0.26248526149505 18.998 > 2 16 F 0.92565316461370 0.85130632922739 0.26248526149505 18.998 > 2 17 F 0.42565316461370 0.35130632922739 0.59581859482838 18.998 > 2 18 F 0.92565316461370 0.35130632922739 0.59581859482838 18.998 > 2 19 F 0.42565316461370 0.85130632922739 0.59581859482838 18.998 > 2 20 F 0.92565316461370 0.85130632922739 0.59581859482838 18.998 > 2 21 F 0.42565316461370 0.35130632922739 0.92915192816172 18.998 > 2 22 F 0.92565316461370 0.35130632922739 0.92915192816172 18.998 > 2 23 F 0.42565316461370 0.85130632922739 0.92915192816172 18.998 > 2 24 F 0.92565316461370 0.85130632922739 0.92915192816172 18.998 > 2 25 F 0.14869367077261 0.07434683538630 0.26248526149505 18.998 > 3 26 F 0.64869367077261 0.07434683538630 0.26248526149505 18.998 > 3 27 F 0.14869367077261 0.57434683538630 0.26248526149505 18.998 > 3 28 F 0.64869367077261 0.57434683538630 0.26248526149505 18.998 > 3 29 F 0.14869367077261 0.07434683538630 0.59581859482838 18.998 > 3 30 F 0.64869367077261 0.07434683538630 0.59581859482838 18.998 > 3 31 F 0.14869367077261 0.57434683538630 0.59581859482838 18.998 > 3 32 F 0.64869367077261 0.57434683538630 0.59581859482838 18.998 > 3 33 F 0.14869367077261 0.07434683538630 0.92915192816172 18.998 > 3 34 F 0.64869367077261 0.07434683538630 0.92915192816172 18.998 > 3 35 F 0.14869367077261 0.57434683538630 0.92915192816172 18.998 > 3 36 F 0.64869367077261 0.57434683538630 0.92915192816172 18.998 > 3 37 F 0.07434683538630 0.42565316461370 0.07084807183828 18.998 > 4 38 F 0.57434683538630 0.42565316461370 0.07084807183828 18.998 > 4 39 F 0.07434683538630 0.92565316461370 0.07084807183828 18.998 > 4 40 F 0.57434683538630 0.92565316461370 0.07084807183828 18.998 > 4 41 F 0.07434683538630 0.42565316461370 0.40418140517162 18.998 > 4 42 F 0.57434683538630 0.42565316461370 0.40418140517162 18.998 > 4 43 F 0.07434683538630 0.92565316461370 0.40418140517162 18.998 > 4 44 F 0.57434683538630 0.92565316461370 0.40418140517162 18.998 > 4 45 F 0.07434683538630 0.42565316461370 0.73751473850495 18.998 > 4 46 F 0.57434683538630 0.42565316461370 0.73751473850495 18.998 > 4 47 F 0.07434683538630 0.92565316461370 0.73751473850495 18.998 > 4 48 F 0.57434683538630 0.92565316461370 0.73751473850495 18.998 > 4 49 F 0.07434683538630 0.14869367077261 0.07084807183828 18.998 > 5 50 F 0.57434683538630 0.14869367077261 0.07084807183828 18.998 > 5 51 F 0.07434683538630 0.64869367077261 0.07084807183828 18.998 > 5 52 F 0.57434683538630 0.64869367077261 0.07084807183828 18.998 > 5 53 F 0.07434683538630 0.14869367077261 0.40418140517162 18.998 > 5 54 F 0.57434683538630 0.14869367077261 0.40418140517162 18.998 > 5 55 F 0.07434683538630 0.64869367077261 0.40418140517162 18.998 > 5 56 F 0.57434683538630 0.64869367077261 0.40418140517162 18.998 > 5 57 F 0.07434683538630 0.14869367077261 0.73751473850495 18.998 > 5 58 F 0.57434683538630 0.14869367077261 0.73751473850495 18.998 > 5 59 F 0.07434683538630 0.64869367077261 0.73751473850495 18.998 > 5 60 F 0.57434683538630 0.64869367077261 0.73751473850495 18.998 > 5 61 F 0.35130632922739 0.42565316461370 0.07084807183828 18.998 > 6 62 F 0.85130632922739 0.42565316461370 0.07084807183828 18.998 > 6 63 F 0.35130632922739 0.92565316461370 0.07084807183828 18.998 > 6 64 F 0.85130632922739 0.92565316461370 0.07084807183828 18.998 > 6 65 F 0.35130632922739 0.42565316461370 0.40418140517162 18.998 > 6 66 F 0.85130632922739 0.42565316461370 0.40418140517162 18.998 > 6 67 F 0.35130632922739 0.92565316461370 0.40418140517162 18.998 > 6 68 F 0.85130632922739 0.92565316461370 0.40418140517162 18.998 > 6 69 F 0.35130632922739 0.42565316461370 0.73751473850495 18.998 > 6 70 F 0.85130632922739 0.42565316461370 0.73751473850495 18.998 > 6 71 F 0.35130632922739 0.92565316461370 0.73751473850495 18.998 > 6 72 F 0.85130632922739 0.92565316461370 0.73751473850495 18.998 > 6 *73 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 7 74 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 7 75 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 7 76 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 7 77 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 7 78 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 7 79 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 7 80 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 7 81 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 7 82 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 7 83 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 7 84 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 7 *85 Rb 0.16666666666667 0.33333333333333 0.23402005478658 85.468 > 8 86 Rb 0.66666666666667 0.33333333333333 0.23402005478658 85.468 > 8 87 Rb 0.16666666666667 0.83333333333333 0.23402005478658 85.468 > 8 88 Rb 0.66666666666667 0.83333333333333 0.23402005478658 85.468 > 8 89 Rb 0.16666666666667 0.33333333333333 0.56735338811991 85.468 > 8 90 Rb 0.66666666666667 0.33333333333333 0.56735338811991 85.468 > 8 91 Rb 0.16666666666667 0.83333333333333 0.56735338811991 85.468 > 8 92 Rb 0.66666666666667 0.83333333333333 0.56735338811991 85.468 > 8 93 Rb 0.16666666666667 0.33333333333333 0.90068672145324 85.468 > 8 94 Rb 0.66666666666667 0.33333333333333 0.90068672145324 85.468 > 8 95 Rb 0.16666666666667 0.83333333333333 0.90068672145324 85.468 > 8 96 Rb 0.66666666666667 0.83333333333333 0.90068672145324 85.468 > 8 97 Rb 0.33333333333333 0.16666666666667 0.09931327854676 85.468 > 9 98 Rb 0.83333333333333 0.16666666666667 0.09931327854676 85.468 > 9 99 Rb 0.33333333333333 0.66666666666667 0.09931327854676 85.468 > 9 100 Rb 0.83333333333333 0.66666666666667 0.09931327854676 85.468 > 9 101 Rb 0.33333333333333 0.16666666666667 0.43264661188009 85.468 > 9 102 Rb 0.83333333333333 0.16666666666667 0.43264661188009 85.468 > 9 103 Rb 0.33333333333333 0.66666666666667 0.43264661188009 85.468 > 9 104 Rb 0.83333333333333 0.66666666666667 0.43264661188009 85.468 > 9 105 Rb 0.33333333333333 0.16666666666667 0.76597994521342 85.468 > 9 106 Rb 0.83333333333333 0.16666666666667 0.76597994521342 85.468 > 9 107 Rb 0.33333333333333 0.66666666666667 0.76597994521342 85.468 > 9 108 Rb 0.83333333333333 0.66666666666667 0.76597994521342 85.468 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1695643 0.0000000 0.0000000 0.0000000 2.1695643 0.0000000 0.0000000 0.0000000 2.1153046 -------------------------- Born effective charges -------------------------- 1 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 2 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 3 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 4 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 5 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 6 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 7 Ge 3.4304070 0.0000000 -0.0000000 0.0000000 3.4304070 -0.0000000 0.0000000 0.0000000 3.2688813 8 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 9 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (78, 75), data: True |-- (152, 150), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.325 Solver_block: 160 / 160 - Time: 0.253 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.610 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 293 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 152 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 78 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (78, 75), data: True |-- (152, 150), data: True |-- (194, 190), 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 22:38:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:27]------------------------- 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 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.854058171054347 0.000000000000000 0.000000000000000 b -2.927029085527173 5.069763091364933 0.000000000000000 c 0.000000000000000 0.000000000000000 4.817499270000000 Atomic positions (fractional): 1 F 0.85130632922739 0.14869367077261 0.78745578448515 18.998 2 F 0.85130632922739 0.70261265845479 0.78745578448515 18.998 3 F 0.29738734154522 0.14869367077261 0.78745578448515 18.998 4 F 0.14869367077261 0.85130632922739 0.21254421551485 18.998 5 F 0.14869367077261 0.29738734154522 0.21254421551485 18.998 6 F 0.70261265845479 0.85130632922739 0.21254421551485 18.998 7 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 8 Rb 0.33333333333333 0.66666666666667 0.70206016435973 85.468 9 Rb 0.66666666666667 0.33333333333333 0.29793983564027 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.708116342108694 0.000000000000000 0.000000000000000 b -5.854058171054346 10.139526182729867 0.000000000000000 c 0.000000000000000 0.000000000000000 14.452497810000001 Atomic positions (fractional): 1 F 0.42565316461370 0.07434683538630 0.26248526149505 18.998 > 1 2 F 0.92565316461370 0.07434683538630 0.26248526149505 18.998 > 1 3 F 0.42565316461370 0.57434683538630 0.26248526149505 18.998 > 1 4 F 0.92565316461370 0.57434683538630 0.26248526149505 18.998 > 1 5 F 0.42565316461370 0.07434683538630 0.59581859482838 18.998 > 1 6 F 0.92565316461370 0.07434683538630 0.59581859482838 18.998 > 1 7 F 0.42565316461370 0.57434683538630 0.59581859482838 18.998 > 1 8 F 0.92565316461370 0.57434683538630 0.59581859482838 18.998 > 1 9 F 0.42565316461370 0.07434683538630 0.92915192816172 18.998 > 1 10 F 0.92565316461370 0.07434683538630 0.92915192816172 18.998 > 1 11 F 0.42565316461370 0.57434683538630 0.92915192816172 18.998 > 1 12 F 0.92565316461370 0.57434683538630 0.92915192816172 18.998 > 1 13 F 0.42565316461370 0.35130632922739 0.26248526149505 18.998 > 13 14 F 0.92565316461370 0.35130632922739 0.26248526149505 18.998 > 13 15 F 0.42565316461370 0.85130632922739 0.26248526149505 18.998 > 13 16 F 0.92565316461370 0.85130632922739 0.26248526149505 18.998 > 13 17 F 0.42565316461370 0.35130632922739 0.59581859482838 18.998 > 13 18 F 0.92565316461370 0.35130632922739 0.59581859482838 18.998 > 13 19 F 0.42565316461370 0.85130632922739 0.59581859482838 18.998 > 13 20 F 0.92565316461370 0.85130632922739 0.59581859482838 18.998 > 13 21 F 0.42565316461370 0.35130632922739 0.92915192816172 18.998 > 13 22 F 0.92565316461370 0.35130632922739 0.92915192816172 18.998 > 13 23 F 0.42565316461370 0.85130632922739 0.92915192816172 18.998 > 13 24 F 0.92565316461370 0.85130632922739 0.92915192816172 18.998 > 13 25 F 0.14869367077261 0.07434683538630 0.26248526149505 18.998 > 25 26 F 0.64869367077261 0.07434683538630 0.26248526149505 18.998 > 25 27 F 0.14869367077261 0.57434683538630 0.26248526149505 18.998 > 25 28 F 0.64869367077261 0.57434683538630 0.26248526149505 18.998 > 25 29 F 0.14869367077261 0.07434683538630 0.59581859482838 18.998 > 25 30 F 0.64869367077261 0.07434683538630 0.59581859482838 18.998 > 25 31 F 0.14869367077261 0.57434683538630 0.59581859482838 18.998 > 25 32 F 0.64869367077261 0.57434683538630 0.59581859482838 18.998 > 25 33 F 0.14869367077261 0.07434683538630 0.92915192816172 18.998 > 25 34 F 0.64869367077261 0.07434683538630 0.92915192816172 18.998 > 25 35 F 0.14869367077261 0.57434683538630 0.92915192816172 18.998 > 25 36 F 0.64869367077261 0.57434683538630 0.92915192816172 18.998 > 25 37 F 0.07434683538630 0.42565316461370 0.07084807183828 18.998 > 37 38 F 0.57434683538630 0.42565316461370 0.07084807183828 18.998 > 37 39 F 0.07434683538630 0.92565316461370 0.07084807183828 18.998 > 37 40 F 0.57434683538630 0.92565316461370 0.07084807183828 18.998 > 37 41 F 0.07434683538630 0.42565316461370 0.40418140517162 18.998 > 37 42 F 0.57434683538630 0.42565316461370 0.40418140517162 18.998 > 37 43 F 0.07434683538630 0.92565316461370 0.40418140517162 18.998 > 37 44 F 0.57434683538630 0.92565316461370 0.40418140517162 18.998 > 37 45 F 0.07434683538630 0.42565316461370 0.73751473850495 18.998 > 37 46 F 0.57434683538630 0.42565316461370 0.73751473850495 18.998 > 37 47 F 0.07434683538630 0.92565316461370 0.73751473850495 18.998 > 37 48 F 0.57434683538630 0.92565316461370 0.73751473850495 18.998 > 37 49 F 0.07434683538630 0.14869367077261 0.07084807183828 18.998 > 49 50 F 0.57434683538630 0.14869367077261 0.07084807183828 18.998 > 49 51 F 0.07434683538630 0.64869367077261 0.07084807183828 18.998 > 49 52 F 0.57434683538630 0.64869367077261 0.07084807183828 18.998 > 49 53 F 0.07434683538630 0.14869367077261 0.40418140517162 18.998 > 49 54 F 0.57434683538630 0.14869367077261 0.40418140517162 18.998 > 49 55 F 0.07434683538630 0.64869367077261 0.40418140517162 18.998 > 49 56 F 0.57434683538630 0.64869367077261 0.40418140517162 18.998 > 49 57 F 0.07434683538630 0.14869367077261 0.73751473850495 18.998 > 49 58 F 0.57434683538630 0.14869367077261 0.73751473850495 18.998 > 49 59 F 0.07434683538630 0.64869367077261 0.73751473850495 18.998 > 49 60 F 0.57434683538630 0.64869367077261 0.73751473850495 18.998 > 49 61 F 0.35130632922739 0.42565316461370 0.07084807183828 18.998 > 61 62 F 0.85130632922739 0.42565316461370 0.07084807183828 18.998 > 61 63 F 0.35130632922739 0.92565316461370 0.07084807183828 18.998 > 61 64 F 0.85130632922739 0.92565316461370 0.07084807183828 18.998 > 61 65 F 0.35130632922739 0.42565316461370 0.40418140517162 18.998 > 61 66 F 0.85130632922739 0.42565316461370 0.40418140517162 18.998 > 61 67 F 0.35130632922739 0.92565316461370 0.40418140517162 18.998 > 61 68 F 0.85130632922739 0.92565316461370 0.40418140517162 18.998 > 61 69 F 0.35130632922739 0.42565316461370 0.73751473850495 18.998 > 61 70 F 0.85130632922739 0.42565316461370 0.73751473850495 18.998 > 61 71 F 0.35130632922739 0.92565316461370 0.73751473850495 18.998 > 61 72 F 0.85130632922739 0.92565316461370 0.73751473850495 18.998 > 61 73 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 73 74 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 73 75 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 73 76 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 73 77 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 73 78 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 73 79 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 73 80 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 73 81 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 73 82 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 73 83 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 73 84 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 73 85 Rb 0.16666666666667 0.33333333333333 0.23402005478658 85.468 > 85 86 Rb 0.66666666666667 0.33333333333333 0.23402005478658 85.468 > 85 87 Rb 0.16666666666667 0.83333333333333 0.23402005478658 85.468 > 85 88 Rb 0.66666666666667 0.83333333333333 0.23402005478658 85.468 > 85 89 Rb 0.16666666666667 0.33333333333333 0.56735338811991 85.468 > 85 90 Rb 0.66666666666667 0.33333333333333 0.56735338811991 85.468 > 85 91 Rb 0.16666666666667 0.83333333333333 0.56735338811991 85.468 > 85 92 Rb 0.66666666666667 0.83333333333333 0.56735338811991 85.468 > 85 93 Rb 0.16666666666667 0.33333333333333 0.90068672145324 85.468 > 85 94 Rb 0.66666666666667 0.33333333333333 0.90068672145324 85.468 > 85 95 Rb 0.16666666666667 0.83333333333333 0.90068672145324 85.468 > 85 96 Rb 0.66666666666667 0.83333333333333 0.90068672145324 85.468 > 85 97 Rb 0.33333333333333 0.16666666666667 0.09931327854676 85.468 > 97 98 Rb 0.83333333333333 0.16666666666667 0.09931327854676 85.468 > 97 99 Rb 0.33333333333333 0.66666666666667 0.09931327854676 85.468 > 97 100 Rb 0.83333333333333 0.66666666666667 0.09931327854676 85.468 > 97 101 Rb 0.33333333333333 0.16666666666667 0.43264661188009 85.468 > 97 102 Rb 0.83333333333333 0.16666666666667 0.43264661188009 85.468 > 97 103 Rb 0.33333333333333 0.66666666666667 0.43264661188009 85.468 > 97 104 Rb 0.83333333333333 0.66666666666667 0.43264661188009 85.468 > 97 105 Rb 0.33333333333333 0.16666666666667 0.76597994521342 85.468 > 97 106 Rb 0.83333333333333 0.16666666666667 0.76597994521342 85.468 > 97 107 Rb 0.33333333333333 0.66666666666667 0.76597994521342 85.468 > 97 108 Rb 0.83333333333333 0.66666666666667 0.76597994521342 85.468 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1695643 0.0000000 0.0000000 0.0000000 2.1695643 0.0000000 0.0000000 0.0000000 2.1153046 -------------------------- Born effective charges -------------------------- 1 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 2 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 3 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 4 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 5 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 6 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 7 Ge 3.4304070 0.0000000 -0.0000000 0.0000000 3.4304070 -0.0000000 0.0000000 0.0000000 3.2688813 8 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 9 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxx) 0.00000001 (yxx) 0.00000001 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 22:38:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:34]------------------------- 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 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.854058171054347 0.000000000000000 0.000000000000000 b -2.927029085527173 5.069763091364933 0.000000000000000 c 0.000000000000000 0.000000000000000 4.817499270000000 Atomic positions (fractional): 1 F 0.85130632922739 0.14869367077261 0.78745578448515 18.998 2 F 0.85130632922739 0.70261265845479 0.78745578448515 18.998 3 F 0.29738734154522 0.14869367077261 0.78745578448515 18.998 4 F 0.14869367077261 0.85130632922739 0.21254421551485 18.998 5 F 0.14869367077261 0.29738734154522 0.21254421551485 18.998 6 F 0.70261265845479 0.85130632922739 0.21254421551485 18.998 7 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 8 Rb 0.33333333333333 0.66666666666667 0.70206016435973 85.468 9 Rb 0.66666666666667 0.33333333333333 0.29793983564027 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.708116342108694 0.000000000000000 0.000000000000000 b -5.854058171054346 10.139526182729867 0.000000000000000 c 0.000000000000000 0.000000000000000 14.452497810000001 Atomic positions (fractional): 1 F 0.42565316461370 0.07434683538630 0.26248526149505 18.998 > 1 2 F 0.92565316461370 0.07434683538630 0.26248526149505 18.998 > 1 3 F 0.42565316461370 0.57434683538630 0.26248526149505 18.998 > 1 4 F 0.92565316461370 0.57434683538630 0.26248526149505 18.998 > 1 5 F 0.42565316461370 0.07434683538630 0.59581859482838 18.998 > 1 6 F 0.92565316461370 0.07434683538630 0.59581859482838 18.998 > 1 7 F 0.42565316461370 0.57434683538630 0.59581859482838 18.998 > 1 8 F 0.92565316461370 0.57434683538630 0.59581859482838 18.998 > 1 9 F 0.42565316461370 0.07434683538630 0.92915192816172 18.998 > 1 10 F 0.92565316461370 0.07434683538630 0.92915192816172 18.998 > 1 11 F 0.42565316461370 0.57434683538630 0.92915192816172 18.998 > 1 12 F 0.92565316461370 0.57434683538630 0.92915192816172 18.998 > 1 13 F 0.42565316461370 0.35130632922739 0.26248526149505 18.998 > 13 14 F 0.92565316461370 0.35130632922739 0.26248526149505 18.998 > 13 15 F 0.42565316461370 0.85130632922739 0.26248526149505 18.998 > 13 16 F 0.92565316461370 0.85130632922739 0.26248526149505 18.998 > 13 17 F 0.42565316461370 0.35130632922739 0.59581859482838 18.998 > 13 18 F 0.92565316461370 0.35130632922739 0.59581859482838 18.998 > 13 19 F 0.42565316461370 0.85130632922739 0.59581859482838 18.998 > 13 20 F 0.92565316461370 0.85130632922739 0.59581859482838 18.998 > 13 21 F 0.42565316461370 0.35130632922739 0.92915192816172 18.998 > 13 22 F 0.92565316461370 0.35130632922739 0.92915192816172 18.998 > 13 23 F 0.42565316461370 0.85130632922739 0.92915192816172 18.998 > 13 24 F 0.92565316461370 0.85130632922739 0.92915192816172 18.998 > 13 25 F 0.14869367077261 0.07434683538630 0.26248526149505 18.998 > 25 26 F 0.64869367077261 0.07434683538630 0.26248526149505 18.998 > 25 27 F 0.14869367077261 0.57434683538630 0.26248526149505 18.998 > 25 28 F 0.64869367077261 0.57434683538630 0.26248526149505 18.998 > 25 29 F 0.14869367077261 0.07434683538630 0.59581859482838 18.998 > 25 30 F 0.64869367077261 0.07434683538630 0.59581859482838 18.998 > 25 31 F 0.14869367077261 0.57434683538630 0.59581859482838 18.998 > 25 32 F 0.64869367077261 0.57434683538630 0.59581859482838 18.998 > 25 33 F 0.14869367077261 0.07434683538630 0.92915192816172 18.998 > 25 34 F 0.64869367077261 0.07434683538630 0.92915192816172 18.998 > 25 35 F 0.14869367077261 0.57434683538630 0.92915192816172 18.998 > 25 36 F 0.64869367077261 0.57434683538630 0.92915192816172 18.998 > 25 37 F 0.07434683538630 0.42565316461370 0.07084807183828 18.998 > 37 38 F 0.57434683538630 0.42565316461370 0.07084807183828 18.998 > 37 39 F 0.07434683538630 0.92565316461370 0.07084807183828 18.998 > 37 40 F 0.57434683538630 0.92565316461370 0.07084807183828 18.998 > 37 41 F 0.07434683538630 0.42565316461370 0.40418140517162 18.998 > 37 42 F 0.57434683538630 0.42565316461370 0.40418140517162 18.998 > 37 43 F 0.07434683538630 0.92565316461370 0.40418140517162 18.998 > 37 44 F 0.57434683538630 0.92565316461370 0.40418140517162 18.998 > 37 45 F 0.07434683538630 0.42565316461370 0.73751473850495 18.998 > 37 46 F 0.57434683538630 0.42565316461370 0.73751473850495 18.998 > 37 47 F 0.07434683538630 0.92565316461370 0.73751473850495 18.998 > 37 48 F 0.57434683538630 0.92565316461370 0.73751473850495 18.998 > 37 49 F 0.07434683538630 0.14869367077261 0.07084807183828 18.998 > 49 50 F 0.57434683538630 0.14869367077261 0.07084807183828 18.998 > 49 51 F 0.07434683538630 0.64869367077261 0.07084807183828 18.998 > 49 52 F 0.57434683538630 0.64869367077261 0.07084807183828 18.998 > 49 53 F 0.07434683538630 0.14869367077261 0.40418140517162 18.998 > 49 54 F 0.57434683538630 0.14869367077261 0.40418140517162 18.998 > 49 55 F 0.07434683538630 0.64869367077261 0.40418140517162 18.998 > 49 56 F 0.57434683538630 0.64869367077261 0.40418140517162 18.998 > 49 57 F 0.07434683538630 0.14869367077261 0.73751473850495 18.998 > 49 58 F 0.57434683538630 0.14869367077261 0.73751473850495 18.998 > 49 59 F 0.07434683538630 0.64869367077261 0.73751473850495 18.998 > 49 60 F 0.57434683538630 0.64869367077261 0.73751473850495 18.998 > 49 61 F 0.35130632922739 0.42565316461370 0.07084807183828 18.998 > 61 62 F 0.85130632922739 0.42565316461370 0.07084807183828 18.998 > 61 63 F 0.35130632922739 0.92565316461370 0.07084807183828 18.998 > 61 64 F 0.85130632922739 0.92565316461370 0.07084807183828 18.998 > 61 65 F 0.35130632922739 0.42565316461370 0.40418140517162 18.998 > 61 66 F 0.85130632922739 0.42565316461370 0.40418140517162 18.998 > 61 67 F 0.35130632922739 0.92565316461370 0.40418140517162 18.998 > 61 68 F 0.85130632922739 0.92565316461370 0.40418140517162 18.998 > 61 69 F 0.35130632922739 0.42565316461370 0.73751473850495 18.998 > 61 70 F 0.85130632922739 0.42565316461370 0.73751473850495 18.998 > 61 71 F 0.35130632922739 0.92565316461370 0.73751473850495 18.998 > 61 72 F 0.85130632922739 0.92565316461370 0.73751473850495 18.998 > 61 73 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 73 74 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 73 75 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 73 76 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 73 77 Ge 0.00000000000000 0.00000000000000 0.33333333333333 72.640 > 73 78 Ge 0.50000000000000 0.00000000000000 0.33333333333333 72.640 > 73 79 Ge 0.00000000000000 0.50000000000000 0.33333333333333 72.640 > 73 80 Ge 0.50000000000000 0.50000000000000 0.33333333333333 72.640 > 73 81 Ge 0.00000000000000 0.00000000000000 0.66666666666667 72.640 > 73 82 Ge 0.50000000000000 0.00000000000000 0.66666666666667 72.640 > 73 83 Ge 0.00000000000000 0.50000000000000 0.66666666666667 72.640 > 73 84 Ge 0.50000000000000 0.50000000000000 0.66666666666667 72.640 > 73 85 Rb 0.16666666666667 0.33333333333333 0.23402005478658 85.468 > 85 86 Rb 0.66666666666667 0.33333333333333 0.23402005478658 85.468 > 85 87 Rb 0.16666666666667 0.83333333333333 0.23402005478658 85.468 > 85 88 Rb 0.66666666666667 0.83333333333333 0.23402005478658 85.468 > 85 89 Rb 0.16666666666667 0.33333333333333 0.56735338811991 85.468 > 85 90 Rb 0.66666666666667 0.33333333333333 0.56735338811991 85.468 > 85 91 Rb 0.16666666666667 0.83333333333333 0.56735338811991 85.468 > 85 92 Rb 0.66666666666667 0.83333333333333 0.56735338811991 85.468 > 85 93 Rb 0.16666666666667 0.33333333333333 0.90068672145324 85.468 > 85 94 Rb 0.66666666666667 0.33333333333333 0.90068672145324 85.468 > 85 95 Rb 0.16666666666667 0.83333333333333 0.90068672145324 85.468 > 85 96 Rb 0.66666666666667 0.83333333333333 0.90068672145324 85.468 > 85 97 Rb 0.33333333333333 0.16666666666667 0.09931327854676 85.468 > 97 98 Rb 0.83333333333333 0.16666666666667 0.09931327854676 85.468 > 97 99 Rb 0.33333333333333 0.66666666666667 0.09931327854676 85.468 > 97 100 Rb 0.83333333333333 0.66666666666667 0.09931327854676 85.468 > 97 101 Rb 0.33333333333333 0.16666666666667 0.43264661188009 85.468 > 97 102 Rb 0.83333333333333 0.16666666666667 0.43264661188009 85.468 > 97 103 Rb 0.33333333333333 0.66666666666667 0.43264661188009 85.468 > 97 104 Rb 0.83333333333333 0.66666666666667 0.43264661188009 85.468 > 97 105 Rb 0.33333333333333 0.16666666666667 0.76597994521342 85.468 > 97 106 Rb 0.83333333333333 0.16666666666667 0.76597994521342 85.468 > 97 107 Rb 0.33333333333333 0.66666666666667 0.76597994521342 85.468 > 97 108 Rb 0.83333333333333 0.66666666666667 0.76597994521342 85.468 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1695643 0.0000000 0.0000000 0.0000000 2.1695643 0.0000000 0.0000000 0.0000000 2.1153046 -------------------------- Born effective charges -------------------------- 1 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 2 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 3 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 4 F -1.0778723 0.1258231 -0.2482180 0.1258231 -0.9325843 0.1433087 -0.2538957 0.1465867 -0.9500534 5 F -0.8599403 0.0000000 0.0000000 0.0000000 -1.1505163 -0.2866174 0.0000000 -0.2931735 -0.9500534 6 F -1.0778723 -0.1258231 0.2482180 -0.1258231 -0.9325843 0.1433087 0.2538957 0.1465867 -0.9500534 7 Ge 3.4304070 0.0000000 -0.0000000 0.0000000 3.4304070 -0.0000000 0.0000000 0.0000000 3.2688813 8 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 9 Rb 1.3004814 0.0000000 -0.0000000 0.0000000 1.3004814 -0.0000000 0.0000000 0.0000000 1.2157196 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxx) 0.00000001 (yxx) 0.00000001 (yxx) 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 ... [ 10 10 10 ] 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: 0.79, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 116 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 1.984 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.195 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 9.805 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.739 ( 0.000 0.000 0.000) 0.000 16.739 ( 0.000 0.000 0.000) 0.000 17.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 12.735 7.352 -4.422) 15.355 0.393 ( 17.118 9.883 -4.010) 20.169 0.740 ( 31.934 18.437 3.714) 37.061 1.973 ( -1.037 -0.599 0.035) 1.198 2.031 ( -2.712 -1.566 1.550) 3.494 2.245 ( 0.522 0.301 0.798) 1.000 2.285 ( 3.887 2.244 -0.861) 4.571 2.860 ( -5.698 -3.290 1.762) 6.811 2.921 ( -1.147 -0.662 -1.139) 1.747 2.988 ( 2.494 1.440 -0.234) 2.890 3.210 ( 4.160 2.402 -1.273) 4.969 4.264 ( -3.613 -2.086 0.547) 4.208 6.119 ( -0.500 -0.289 0.104) 0.587 6.141 ( 0.596 0.344 -0.187) 0.713 6.799 ( 1.623 0.937 0.001) 1.874 8.919 ( -0.719 -0.415 -0.609) 1.030 9.148 ( -0.434 -0.251 0.125) 0.517 9.181 ( -1.156 -0.668 -0.140) 1.342 9.218 ( 1.949 1.125 1.149) 2.526 9.814 ( 0.785 0.453 0.121) 0.914 10.719 ( -0.523 -0.302 -0.730) 0.947 13.162 ( -0.289 -0.167 -0.365) 0.495 13.217 ( 4.453 2.571 -1.341) 5.314 16.388 ( -2.552 -1.473 -0.876) 3.074 16.742 ( 0.215 0.124 0.225) 0.335 17.226 ( -0.209 -0.121 0.004) 0.242 18.144 ( -0.933 -0.539 1.818) 2.114 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 12.134 7.005 -3.849) 14.530 0.776 ( 16.424 9.483 -4.194) 19.423 1.437 ( 28.493 16.451 2.954) 33.034 1.941 ( -1.978 -1.142 -3.564) 4.233 1.946 ( -3.903 -2.254 5.898) 7.423 2.251 ( -0.364 -0.210 1.738) 1.788 2.399 ( 5.670 3.273 -1.026) 6.627 2.722 ( -5.923 -3.420 1.801) 7.073 2.890 ( -1.400 -0.808 -1.494) 2.202 3.067 ( 4.235 2.445 -0.195) 4.894 3.299 ( 3.441 1.987 -1.273) 4.172 4.139 ( -7.293 -4.210 0.688) 8.449 6.103 ( -0.858 -0.495 0.167) 1.005 6.159 ( 1.009 0.582 -0.301) 1.203 6.849 ( 2.701 1.559 0.006) 3.119 8.898 ( -1.057 -0.610 -0.872) 1.500 9.134 ( -0.719 -0.415 0.358) 0.905 9.146 ( -1.795 -1.036 -0.214) 2.084 9.278 ( 3.161 1.825 1.701) 4.027 9.838 ( 1.192 0.688 0.179) 1.388 10.702 ( -0.955 -0.551 -1.289) 1.696 13.153 ( -0.485 -0.280 -0.593) 0.816 13.358 ( 7.620 4.399 -2.227) 9.076 16.306 ( -4.541 -2.622 -1.359) 5.417 16.748 ( 0.338 0.195 0.367) 0.535 17.220 ( -0.329 -0.190 0.023) 0.381 18.115 ( -1.535 -0.886 2.940) 3.433 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 10.802 6.237 -2.995) 12.828 1.137 ( 15.149 8.746 -4.355) 18.026 1.814 ( -0.067 -0.039 0.854) 0.858 1.823 ( -5.559 -3.209 0.522) 6.440 2.131 ( 21.537 12.434 2.392) 24.983 2.205 ( -4.176 -2.411 2.958) 5.657 2.528 ( 5.943 3.431 -0.256) 6.867 2.613 ( -3.199 -1.847 1.172) 3.875 2.869 ( -0.240 -0.139 -1.028) 1.065 3.169 ( 4.400 2.540 -0.116) 5.082 3.361 ( 1.979 1.143 -1.042) 2.511 3.931 ( -11.040 -6.374 0.258) 12.750 6.083 ( -0.916 -0.529 0.168) 1.071 6.184 ( 1.060 0.612 -0.301) 1.260 6.914 ( 2.793 1.612 0.012) 3.225 8.874 ( -0.997 -0.575 -0.786) 1.394 9.104 ( -1.734 -1.001 -0.205) 2.012 9.117 ( -0.736 -0.425 0.418) 0.948 9.353 ( 3.268 1.887 1.717) 4.145 9.865 ( 1.123 0.648 0.164) 1.307 10.678 ( -1.120 -0.647 -1.443) 1.938 13.141 ( -0.507 -0.292 -0.597) 0.836 13.545 ( 8.295 4.789 -2.322) 9.856 16.192 ( -5.214 -3.010 -1.261) 6.151 16.756 ( 0.326 0.188 0.369) 0.527 17.213 ( -0.315 -0.182 0.042) 0.366 18.078 ( -1.569 -0.906 2.936) 3.450 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 7.757 4.479 -1.834) 9.143 1.458 ( 12.741 7.356 -4.148) 15.286 1.696 ( -4.981 -2.876 0.762) 5.802 1.769 ( -2.284 -1.319 0.166) 2.643 2.061 ( -7.920 -4.573 3.629) 9.839 2.478 ( 5.426 3.133 -0.829) 6.321 2.575 ( -0.547 -0.316 0.483) 0.795 2.783 ( 18.319 10.577 2.704) 21.325 2.879 ( 0.850 0.491 -0.501) 1.102 3.256 ( 3.000 1.732 0.002) 3.464 3.390 ( 0.578 0.334 -0.650) 0.931 3.638 ( -14.575 -8.415 -0.607) 16.841 6.065 ( -0.594 -0.343 0.104) 0.694 6.204 ( 0.679 0.392 -0.186) 0.806 6.968 ( 1.773 1.023 0.010) 2.047 8.855 ( -0.602 -0.347 -0.456) 0.831 9.072 ( -1.053 -0.608 -0.124) 1.222 9.103 ( -0.464 -0.268 0.273) 0.601 9.417 ( 2.108 1.217 1.113) 2.677 9.886 ( 0.669 0.387 0.096) 0.779 10.655 ( -0.796 -0.460 -0.984) 1.346 13.131 ( -0.324 -0.187 -0.371) 0.527 13.710 ( 5.595 3.231 -1.501) 6.633 16.085 ( -3.689 -2.130 -0.711) 4.318 16.762 ( 0.195 0.113 0.229) 0.321 17.207 ( -0.187 -0.108 0.035) 0.218 18.048 ( -0.988 -0.571 1.811) 2.141 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 -0.000) 0.000 1.629 ( -0.000 -0.000 0.000) 0.000 1.652 ( 0.000 0.000 -0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.921 ( -0.000 -0.000 0.000) 0.000 2.521 ( 0.000 0.000 -0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 -0.000) 0.000 3.293 ( 0.000 0.000 -0.000) 0.000 3.339 ( -0.000 -0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 -0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 -0.000) 0.000 8.848 ( 0.000 0.000 -0.000) 0.000 9.059 ( 0.000 0.000 -0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 -0.000) 0.000 10.645 ( 0.000 0.000 -0.000) 0.000 13.127 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 -0.000) 0.000 16.041 ( 0.000 0.000 -0.000) 0.000 16.764 ( 0.000 0.000 0.000) 0.000 17.204 ( 0.000 0.000 0.000) 0.000 18.036 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 6.406 11.096 0.000) 12.812 0.731 ( 10.622 18.398 0.000) 21.244 1.247 ( 16.928 29.319 0.000) 33.855 1.949 ( -0.929 -1.609 0.000) 1.858 1.969 ( -2.647 -4.584 0.000) 5.294 2.277 ( 1.234 2.138 0.000) 2.469 2.340 ( 2.037 3.528 0.000) 4.073 2.787 ( -2.387 -4.135 0.000) 4.775 2.880 ( -1.459 -2.526 0.000) 2.917 3.041 ( 2.077 3.598 0.000) 4.154 3.274 ( 2.050 3.550 0.000) 4.100 4.182 ( -3.573 -6.189 0.000) 7.146 6.110 ( -0.367 -0.635 0.000) 0.734 6.152 ( 0.453 0.785 0.000) 0.906 6.834 ( 1.465 2.537 0.000) 2.930 8.904 ( -0.607 -1.051 0.000) 1.214 9.138 ( -0.404 -0.700 0.000) 0.809 9.184 ( -0.305 -0.529 0.000) 0.611 9.224 ( 0.619 1.072 0.000) 1.237 9.840 ( 1.198 2.074 0.000) 2.395 10.705 ( -0.631 -1.093 0.000) 1.262 13.180 ( 0.474 0.821 0.000) 0.948 13.288 ( 3.202 5.546 0.000) 6.403 16.331 ( -2.439 -4.224 0.000) 4.878 16.757 ( 0.793 1.374 0.000) 1.586 17.222 ( -0.180 -0.312 0.000) 0.360 18.117 ( -1.240 -2.147 0.000) 2.479 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 10.823 6.720 -1.918) 12.883 1.084 ( 9.501 18.113 -2.419) 20.596 1.763 ( 10.276 10.140 0.682) 14.452 1.859 ( -4.024 -5.615 0.562) 6.931 1.971 ( 8.632 8.744 1.319) 12.358 2.291 ( -4.131 3.889 1.962) 6.003 2.425 ( 6.276 -0.885 -0.897) 6.402 2.707 ( -5.193 2.023 1.239) 5.709 2.845 ( 1.060 -3.299 -1.178) 3.659 3.119 ( 3.390 2.368 -0.113) 4.137 3.338 ( 2.149 1.968 -0.605) 2.976 4.019 ( -7.314 -7.896 0.256) 10.766 6.095 ( -0.787 -0.290 0.113) 0.846 6.170 ( 0.904 0.466 -0.189) 1.035 6.893 ( 2.180 2.713 0.006) 3.481 8.881 ( -0.773 -1.041 -0.450) 1.373 9.122 ( -0.656 -0.748 -0.081) 0.998 9.149 ( -3.137 0.805 -0.014) 3.238 9.272 ( 4.595 -1.863 1.098) 5.078 9.889 ( 0.632 4.372 0.181) 4.421 10.678 ( -0.781 -1.946 -0.811) 2.248 13.184 ( -1.917 2.852 -0.207) 3.443 13.434 ( 7.947 3.515 -1.414) 8.804 16.230 ( -3.814 -4.749 -0.689) 6.130 16.790 ( -0.182 4.008 0.094) 4.013 17.215 ( -0.254 -0.306 0.022) 0.399 18.065 ( -0.980 -4.192 1.719) 4.635 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 10.409 3.952 -1.885) 11.292 1.405 ( 7.872 15.612 -3.213) 17.777 1.736 ( -3.742 -4.407 0.567) 5.809 1.780 ( -1.697 -3.094 0.162) 3.532 2.199 ( -9.309 1.267 3.015) 9.866 2.368 ( 11.917 8.663 -0.072) 14.733 2.578 ( 13.665 5.745 1.577) 14.907 2.657 ( -4.089 3.743 0.479) 5.564 2.852 ( 2.055 -1.258 -0.608) 2.485 3.196 ( 4.032 -0.132 -0.183) 4.038 3.382 ( 1.131 1.058 -0.607) 1.663 3.778 ( -11.192 -8.921 -0.134) 14.313 6.080 ( -0.981 0.272 0.125) 1.026 6.190 ( 1.054 -0.079 -0.205) 1.077 6.954 ( 1.817 2.277 0.009) 2.913 8.860 ( -0.589 -0.818 -0.450) 1.104 9.099 ( -1.799 0.039 -0.747) 1.948 9.111 ( -1.315 -0.017 0.812) 1.546 9.329 ( 5.036 -3.619 1.017) 6.284 9.942 ( -1.073 6.693 0.292) 6.785 10.644 ( -0.253 -2.859 -1.005) 3.041 13.177 ( -2.556 3.661 -0.276) 4.473 13.602 ( 8.450 0.941 -1.521) 8.637 16.120 ( -3.675 -3.925 -0.666) 5.418 16.825 ( -2.105 6.831 0.023) 7.148 17.208 ( -0.199 -0.229 0.039) 0.306 18.008 ( 0.645 -6.305 1.901) 6.617 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.031 0.319 -0.874) 6.103 1.560 ( 0.260 -1.588 -0.422) 1.664 1.728 ( -0.182 -2.368 0.320) 2.397 1.756 ( 2.980 12.754 -2.719) 13.376 2.019 ( -11.193 -0.311 3.173) 11.638 2.488 ( 2.077 0.116 -0.370) 2.113 2.633 ( -2.821 3.781 0.060) 4.718 2.873 ( 1.547 -1.092 -0.463) 1.950 2.977 ( 17.938 8.213 2.402) 19.875 3.238 ( 1.946 -3.972 -0.598) 4.463 3.399 ( 0.018 0.611 -0.293) 0.678 3.479 ( -12.771 -6.492 -0.550) 14.337 6.069 ( -0.796 0.812 0.052) 1.138 6.202 ( 0.765 -0.633 -0.085) 0.996 6.992 ( 0.443 1.346 0.005) 1.417 8.847 ( -0.127 -0.471 -0.181) 0.521 9.074 ( -1.258 0.744 -0.194) 1.474 9.098 ( -0.224 -0.229 0.240) 0.400 9.365 ( 4.172 -5.271 0.405) 6.734 9.977 ( -3.361 7.838 0.159) 8.529 10.619 ( 1.015 -3.223 -0.463) 3.410 13.171 ( -2.535 4.058 -0.122) 4.786 13.716 ( 5.173 -2.589 -0.641) 5.820 16.044 ( -1.401 -1.866 -0.255) 2.347 16.848 ( -4.143 8.456 -0.012) 9.416 17.204 ( -0.055 -0.113 0.021) 0.128 17.970 ( 2.993 -7.281 0.804) 7.913 ======================= Grid point 23 (11/116) ======================= q-point: ( 0.20 0.20 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 4.995 8.652 0.000) 9.991 1.428 ( 9.059 15.691 0.000) 18.119 1.745 ( -2.870 -4.970 0.000) 5.739 1.776 ( -1.897 -3.286 0.000) 3.795 2.298 ( 9.058 15.688 0.000) 18.115 2.349 ( -1.684 -2.916 0.000) 3.367 2.430 ( 5.037 8.724 0.000) 10.074 2.772 ( 1.354 2.346 0.000) 2.709 2.779 ( -0.986 -1.708 0.000) 1.972 3.152 ( 0.619 1.072 0.000) 1.238 3.376 ( 1.021 1.768 0.000) 2.041 3.831 ( -6.422 -11.122 0.000) 12.843 6.092 ( -0.008 -0.014 0.000) 0.017 6.177 ( 0.135 0.234 0.000) 0.271 6.950 ( 1.650 2.858 0.000) 3.300 8.861 ( -0.568 -0.983 0.000) 1.135 9.107 ( -0.418 -0.724 0.000) 0.836 9.154 ( -0.534 -0.925 0.000) 1.068 9.239 ( -0.347 -0.601 0.000) 0.694 9.993 ( 3.314 5.740 0.000) 6.628 10.627 ( -1.761 -3.050 0.000) 3.522 13.240 ( 1.389 2.406 0.000) 2.778 13.508 ( 2.385 4.131 0.000) 4.770 16.132 ( -2.845 -4.928 0.000) 5.690 16.894 ( 3.536 6.125 0.000) 7.072 17.209 ( -0.173 -0.300 0.000) 0.346 17.958 ( -3.636 -6.298 0.000) 7.273 ======================= Grid point 24 (12/116) ======================= q-point: ( 0.30 0.20 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 5.669 3.587 -0.554) 6.732 1.572 ( -1.809 -0.938 -0.092) 2.040 1.704 ( -1.342 -4.255 0.101) 4.463 1.800 ( 6.174 12.729 -1.311) 14.208 2.232 ( -10.109 1.948 1.807) 10.452 2.454 ( 3.618 1.766 -0.686) 4.084 2.683 ( 3.144 1.670 0.704) 3.629 2.797 ( 6.251 7.972 -1.216) 10.203 2.838 ( 4.936 2.793 1.769) 5.941 3.167 ( 1.664 -2.267 -0.436) 2.846 3.402 ( 0.412 0.853 -0.172) 0.963 3.589 ( -9.123 -9.818 -0.144) 13.403 6.094 ( -0.540 1.107 0.056) 1.233 6.180 ( 0.592 -0.874 -0.076) 1.058 6.998 ( 0.950 2.018 0.003) 2.230 8.845 ( -0.293 -0.660 -0.112) 0.731 9.096 ( -0.274 -0.232 -0.281) 0.456 9.121 ( -2.466 0.764 0.259) 2.594 9.246 ( 3.207 -4.181 0.267) 5.276 10.100 ( 0.239 8.691 0.217) 8.697 10.565 ( -0.452 -5.076 -0.371) 5.110 13.272 ( -2.213 5.669 0.012) 6.085 13.587 ( 5.185 -2.355 -0.478) 5.715 16.049 ( -1.921 -3.051 -0.141) 3.608 17.013 ( -0.666 11.717 -0.180) 11.737 17.204 ( -0.085 -0.187 0.029) 0.207 17.835 ( -0.012 -10.912 0.629) 10.930 ======================= Grid point 25 (13/116) ======================= q-point: ( 0.40 0.20 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.079 -1.868 0.000) 2.157 1.537 ( -0.245 0.425 -0.000) 0.490 1.668 ( 1.866 -3.233 -0.000) 3.733 2.006 ( -1.506 2.608 0.000) 3.011 2.076 ( -7.705 13.346 -0.000) 15.411 2.494 ( 0.343 -0.594 0.000) 0.686 2.689 ( -1.062 1.840 -0.000) 2.124 2.835 ( 1.575 -2.727 -0.000) 3.149 3.063 ( 0.557 -0.964 -0.000) 1.113 3.139 ( 1.666 -2.885 -0.000) 3.332 3.409 ( -0.191 0.331 -0.000) 0.383 3.412 ( 0.366 -0.634 0.000) 0.732 6.095 ( -0.939 1.626 0.000) 1.877 6.181 ( 0.836 -1.448 -0.000) 1.672 7.016 ( -0.569 0.985 0.000) 1.138 8.839 ( 0.185 -0.320 0.000) 0.370 9.094 ( 0.058 -0.101 -0.000) 0.116 9.100 ( -1.046 1.812 0.000) 2.093 9.254 ( 3.092 -5.356 -0.000) 6.185 10.150 ( -5.042 8.733 -0.000) 10.084 10.531 ( 3.104 -5.377 0.000) 6.209 13.281 ( -3.839 6.649 -0.000) 7.678 13.622 ( 3.672 -6.360 0.000) 7.344 16.016 ( 0.560 -0.969 0.000) 1.119 17.072 ( -7.566 13.105 -0.000) 15.132 17.203 ( 0.036 -0.062 -0.000) 0.071 17.774 ( 6.830 -11.831 0.000) 13.661 ======================= Grid point 35 (14/116) ======================= q-point: ( 0.30 0.30 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.717 1.242 0.000) 1.434 1.557 ( 0.372 0.645 0.000) 0.744 1.622 ( -2.045 -3.542 0.000) 4.090 2.015 ( 3.637 6.299 0.000) 7.274 2.289 ( 2.242 3.883 0.000) 4.484 2.442 ( -1.632 -2.826 0.000) 3.263 2.715 ( 1.297 2.247 0.000) 2.595 2.790 ( -1.327 -2.299 0.000) 2.655 3.026 ( 4.894 8.477 0.000) 9.789 3.126 ( -1.148 -1.988 0.000) 2.295 3.412 ( 0.105 0.182 0.000) 0.210 3.414 ( -3.834 -6.640 0.000) 7.667 6.120 ( 0.774 1.341 0.000) 1.548 6.158 ( -0.711 -1.232 0.000) 1.422 7.027 ( 0.468 0.810 0.000) 0.935 8.835 ( -0.143 -0.247 0.000) 0.286 9.093 ( -0.007 -0.011 0.000) 0.013 9.135 ( 0.368 0.637 0.000) 0.735 9.181 ( -1.189 -2.060 0.000) 2.378 10.266 ( 4.308 7.462 0.000) 8.616 10.450 ( -3.516 -6.089 0.000) 7.031 13.384 ( 2.890 5.006 0.000) 5.781 13.520 ( -2.194 -3.799 0.000) 4.387 16.006 ( -0.657 -1.138 0.000) 1.314 17.201 ( -0.039 -0.068 0.000) 0.078 17.262 ( 7.080 12.264 0.000) 14.161 17.598 ( -6.880 -11.916 0.000) 13.760 ======================= Grid point 109 (15/116) ======================= q-point: ( 0.00 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 -0.000 15.365) 15.365 0.317 ( 0.000 0.000 15.365) 15.365 0.625 ( 0.000 0.000 29.542) 29.542 2.001 ( 0.000 0.000 1.591) 1.591 2.230 ( 0.000 -0.000 -0.798) 0.798 2.230 ( 0.000 -0.000 -0.798) 0.798 2.917 ( 0.000 0.000 -1.645) 1.645 2.917 ( 0.000 -0.000 -1.645) 1.645 2.990 ( 0.000 0.000 2.212) 2.212 3.148 ( 0.000 -0.000 0.264) 0.264 3.148 ( 0.000 -0.000 0.264) 0.264 3.328 ( 0.000 0.000 -1.951) 1.951 6.081 ( 0.000 -0.000 -4.098) 4.098 6.081 ( 0.000 0.000 -4.098) 4.098 6.771 ( 0.000 0.000 -0.803) 0.803 9.103 ( 0.000 -0.000 -4.385) 4.385 9.207 ( 0.000 -0.000 1.125) 1.125 9.207 ( 0.000 0.000 1.125) 1.125 9.802 ( 0.000 -0.000 -0.274) 0.274 9.802 ( 0.000 -0.000 -0.274) 0.274 9.839 ( 0.000 0.000 3.792) 3.792 13.183 ( 0.000 -0.000 1.688) 1.688 13.183 ( 0.000 0.000 1.688) 1.688 16.725 ( 0.000 0.000 -1.358) 1.358 16.725 ( 0.000 -0.000 -1.358) 1.358 17.227 ( 0.000 0.000 -0.125) 0.125 17.836 ( 0.000 0.000 -1.220) 1.220 ======================= Grid point 110 (16/116) ======================= q-point: ( 0.10 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 11.855 6.845 7.033) 15.391 0.495 ( 6.709 3.873 16.502) 18.229 0.956 ( 25.131 14.509 16.100) 33.186 1.972 ( -2.228 -1.286 1.375) 2.917 2.254 ( 1.292 0.746 0.088) 1.494 2.263 ( 3.550 2.050 -1.389) 4.329 2.477 ( -18.829 -10.871 22.323) 31.161 2.893 ( -1.679 -0.969 -1.461) 2.427 2.895 ( -4.585 -2.647 1.433) 5.485 2.992 ( 2.041 1.178 0.515) 2.412 3.186 ( 3.804 2.196 -0.803) 4.465 3.906 ( 12.327 7.117 -21.166) 25.507 6.077 ( -0.437 -0.252 -4.030) 4.061 6.088 ( 0.580 0.335 -4.402) 4.452 6.790 ( 1.615 0.932 -0.814) 2.034 8.928 ( -8.681 -5.012 -1.397) 10.121 9.190 ( -1.256 -0.725 1.010) 1.767 9.222 ( 1.165 0.673 1.683) 2.155 9.438 ( -4.180 -2.413 16.604) 17.292 9.814 ( 0.858 0.495 -0.187) 1.008 10.402 ( 13.573 7.836 -17.386) 23.408 13.173 ( -0.530 -0.306 1.426) 1.552 13.242 ( 4.065 2.347 2.717) 5.424 16.571 ( -8.324 -4.806 9.296) 13.372 16.731 ( 0.361 0.209 -1.197) 1.267 17.227 ( -0.175 -0.101 -0.012) 0.203 17.937 ( 4.792 2.766 -12.335) 13.519 ======================= Grid point 111 (17/116) ======================= q-point: ( 0.20 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 9.492 5.480 11.773) 16.085 0.744 ( 14.675 8.472 1.167) 16.985 1.551 ( 24.674 14.246 7.852) 29.553 1.920 ( -1.830 -1.057 1.197) 2.429 2.193 ( -8.446 -4.876 14.574) 17.536 2.280 ( 0.645 0.372 1.073) 1.306 2.379 ( 6.070 3.504 -0.623) 7.037 2.767 ( -5.883 -3.396 2.473) 7.229 2.864 ( -0.840 -0.485 -0.971) 1.373 3.066 ( 4.054 2.341 -0.172) 4.684 3.275 ( 3.684 2.127 -0.756) 4.321 3.980 ( -3.039 -1.754 -13.663) 14.106 6.062 ( -0.852 -0.492 -4.016) 4.135 6.106 ( 0.991 0.572 -4.527) 4.669 6.840 ( 2.687 1.551 -0.843) 3.215 8.808 ( -2.794 -1.613 -4.512) 5.547 9.154 ( -1.824 -1.053 0.945) 2.308 9.247 ( 0.768 0.444 3.987) 4.084 9.409 ( 0.399 0.230 11.968) 11.977 9.838 ( 1.192 0.688 -0.168) 1.386 10.558 ( 2.713 1.567 -10.625) 11.078 13.161 ( -0.544 -0.314 1.325) 1.467 13.367 ( 6.925 3.998 2.875) 8.498 16.402 ( -6.863 -3.962 8.577) 11.677 16.740 ( 0.371 0.214 -1.139) 1.217 17.220 ( -0.374 -0.216 -0.012) 0.432 18.001 ( 1.117 0.645 -11.842) 11.912 ======================= Grid point 112 (18/116) ======================= q-point: ( 0.30 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 10.461 6.040 8.427) 14.728 1.076 ( 14.289 8.250 -1.412) 16.560 1.810 ( -1.852 -1.069 0.036) 2.139 1.934 ( -4.051 -2.339 8.459) 9.666 2.217 ( 16.079 9.283 5.338) 19.319 2.262 ( -2.761 -1.594 2.563) 4.091 2.532 ( 7.857 4.536 0.664) 9.096 2.651 ( -3.901 -2.252 2.348) 5.080 2.858 ( 0.459 0.265 0.070) 0.534 3.162 ( 4.094 2.364 -0.814) 4.797 3.347 ( 2.601 1.502 -0.020) 3.003 3.828 ( -9.717 -5.610 -9.437) 14.662 6.041 ( -0.971 -0.561 -4.069) 4.221 6.131 ( 1.103 0.637 -4.560) 4.735 6.905 ( 2.773 1.601 -0.885) 3.322 8.770 ( -0.910 -0.526 -5.884) 5.978 9.113 ( -1.691 -0.976 0.952) 2.172 9.251 ( -0.317 -0.183 7.434) 7.443 9.435 ( 1.550 0.895 6.959) 7.186 9.864 ( 1.064 0.614 -0.219) 1.248 10.587 ( 0.470 0.271 -6.695) 6.717 13.150 ( -0.357 -0.206 1.427) 1.485 13.545 ( 8.255 4.766 2.325) 9.812 16.254 ( -6.024 -3.478 6.547) 9.552 16.747 ( 0.232 0.134 -1.207) 1.236 17.212 ( -0.372 -0.215 -0.125) 0.447 18.001 ( -0.836 -0.483 -9.637) 9.685 ======================= Grid point 113 (19/116) ======================= q-point: ( 0.40 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 9.208 5.316 8.150) 13.397 1.386 ( 12.650 7.303 -2.757) 14.864 1.734 ( -4.381 -2.529 1.933) 5.415 1.807 ( -4.545 -2.624 4.618) 6.990 2.144 ( -7.289 -4.208 4.327) 9.464 2.490 ( 5.565 3.213 1.912) 6.705 2.597 ( -1.137 -0.657 1.545) 2.027 2.801 ( 12.478 7.204 -0.368) 14.413 2.899 ( 5.764 3.328 2.007) 6.952 3.241 ( 2.600 1.501 -1.639) 3.420 3.393 ( 1.491 0.861 1.193) 2.094 3.553 ( -14.193 -8.194 -7.312) 17.946 6.021 ( -0.690 -0.398 -4.171) 4.246 6.153 ( 0.789 0.456 -4.542) 4.632 6.958 ( 1.753 1.012 -0.926) 2.226 8.758 ( -0.176 -0.102 -5.932) 5.936 9.082 ( -0.959 -0.554 1.019) 1.505 9.241 ( -0.455 -0.263 9.274) 9.288 9.463 ( 0.642 0.371 3.542) 3.619 9.884 ( 0.583 0.336 -0.310) 0.741 10.595 ( 0.459 0.265 -4.445) 4.477 13.145 ( -0.022 -0.013 1.695) 1.695 13.719 ( 6.379 3.683 2.304) 7.717 16.140 ( -3.637 -2.100 5.580) 6.983 16.750 ( 0.008 0.005 -1.375) 1.375 17.204 ( -0.246 -0.142 -0.237) 0.369 17.971 ( -1.677 -0.968 -8.841) 9.050 ======================= Grid point 114 (20/116) ======================= q-point: (-0.50 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 2.593 1.497 11.444) 11.830 1.625 ( 6.541 3.776 -2.206) 7.868 1.646 ( -1.368 -0.790 1.725) 2.339 1.755 ( -0.361 -0.208 1.551) 1.605 1.969 ( -6.131 -3.540 4.224) 8.244 2.555 ( 1.077 0.622 3.158) 3.394 2.582 ( -0.397 -0.229 1.003) 1.103 2.876 ( -0.122 -0.071 -1.375) 1.382 3.122 ( -8.402 -4.851 -2.075) 9.921 3.273 ( 0.134 0.078 -1.831) 1.838 3.293 ( 6.752 3.898 -3.960) 8.745 3.416 ( 0.464 0.268 1.962) 2.034 6.012 ( -0.095 -0.055 -4.276) 4.278 6.164 ( 0.146 0.084 -4.471) 4.474 6.979 ( -0.009 -0.005 -0.948) 0.948 8.759 ( 0.228 0.132 -5.777) 5.783 9.072 ( 0.111 0.064 1.119) 1.127 9.236 ( 0.084 0.049 10.127) 10.127 9.457 ( -1.180 -0.681 1.436) 1.980 9.889 ( -0.084 -0.048 -0.399) 0.410 10.611 ( 0.935 0.540 -3.066) 3.250 13.149 ( 0.337 0.195 2.025) 2.062 13.810 ( 1.259 0.727 2.992) 3.326 16.104 ( 0.689 0.398 5.785) 5.840 16.747 ( -0.209 -0.121 -1.582) 1.600 17.201 ( -0.039 -0.023 -0.315) 0.318 17.932 ( -1.625 -0.938 -9.636) 9.817 ======================= Grid point 116 (21/116) ======================= q-point: (-0.40 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.021 -4.054 13.042) 15.356 1.553 ( -10.849 -6.264 4.700) 13.380 1.710 ( 5.526 3.191 1.972) 6.679 1.780 ( 2.410 1.391 1.153) 3.012 1.998 ( 6.596 3.808 -2.223) 7.934 2.524 ( -6.988 -4.034 3.379) 8.747 2.577 ( 0.185 0.107 0.710) 0.742 2.705 ( -14.568 -8.411 -4.114) 17.317 2.901 ( -1.485 -0.857 1.148) 2.063 3.247 ( -2.351 -1.357 -0.869) 2.850 3.414 ( -0.681 -0.393 1.618) 1.799 3.584 ( 12.439 7.182 -5.259) 15.296 6.017 ( 0.537 0.310 -4.339) 4.383 6.159 ( -0.558 -0.322 -4.375) 4.422 6.958 ( -1.763 -1.018 -0.938) 2.242 8.768 ( 0.539 0.311 -5.812) 5.846 9.086 ( 1.142 0.660 1.215) 1.793 9.245 ( 0.746 0.431 10.579) 10.614 9.413 ( -2.515 -1.452 0.703) 2.988 9.880 ( -0.727 -0.420 -0.456) 0.956 10.634 ( 0.878 0.507 -2.833) 3.009 13.160 ( 0.564 0.326 2.287) 2.378 13.770 ( -4.581 -2.645 3.873) 6.555 16.171 ( 4.934 2.848 7.171) 9.159 16.741 ( -0.345 -0.199 -1.747) 1.792 17.203 ( 0.204 0.118 -0.316) 0.394 17.902 ( -0.936 -0.541 -11.624) 11.674 ======================= Grid point 117 (22/116) ======================= q-point: (-0.30 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -9.687 -5.593 13.334) 17.405 1.254 ( -14.477 -8.358 6.868) 18.073 1.820 ( 1.747 1.009 1.690) 2.632 1.847 ( 1.323 0.764 1.779) 2.344 2.135 ( -17.284 -9.979 2.804) 20.153 2.139 ( 4.783 2.762 -3.395) 6.483 2.546 ( -4.668 -2.695 1.592) 5.620 2.604 ( 2.508 1.448 0.312) 2.912 2.898 ( 0.781 0.451 1.688) 1.914 3.173 ( -3.917 -2.262 0.279) 4.532 3.383 ( -2.035 -1.175 1.030) 2.566 3.824 ( 8.451 4.879 -9.140) 13.371 6.034 ( 0.915 0.528 -4.338) 4.465 6.140 ( -1.028 -0.594 -4.309) 4.469 6.904 ( -2.768 -1.598 -0.899) 3.321 8.785 ( 1.041 0.601 -5.738) 5.863 9.121 ( 1.773 1.024 1.275) 2.411 9.264 ( 0.564 0.325 9.037) 9.061 9.356 ( -2.093 -1.208 3.160) 3.978 9.858 ( -1.141 -0.659 -0.470) 1.399 10.643 ( -0.242 -0.139 -4.313) 4.322 13.173 ( 0.558 0.322 2.380) 2.466 13.620 ( -8.067 -4.657 4.189) 10.213 16.309 ( 6.726 3.883 9.379) 12.177 16.733 ( -0.357 -0.206 -1.806) 1.853 17.210 ( 0.404 0.234 -0.191) 0.505 17.891 ( -0.002 -0.001 -13.939) 13.939 ======================= Grid point 118 (23/116) ======================= q-point: (-0.20 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -10.658 -6.153 13.824) 18.508 0.911 ( -15.448 -8.919 8.530) 19.773 1.430 ( -25.943 -14.978 3.020) 30.108 1.909 ( 3.110 1.795 1.285) 3.813 2.124 ( 8.263 4.771 11.687) 15.087 2.206 ( 1.337 0.772 -2.739) 3.144 2.425 ( -5.505 -3.178 1.888) 6.631 2.696 ( 5.281 3.049 -0.644) 6.132 2.923 ( 1.111 0.641 1.670) 2.106 3.080 ( -3.940 -2.275 1.076) 4.675 3.321 ( -3.405 -1.966 0.761) 4.004 3.957 ( 2.777 1.604 -14.310) 14.665 6.056 ( 0.911 0.526 -4.282) 4.410 6.115 ( -1.105 -0.638 -4.308) 4.493 6.840 ( -2.676 -1.545 -0.851) 3.205 8.823 ( 2.653 1.532 -4.458) 5.409 9.162 ( 1.770 1.022 1.284) 2.413 9.250 ( -1.660 -0.958 1.865) 2.674 9.347 ( 1.325 0.765 12.312) 12.406 9.831 ( -1.160 -0.670 -0.443) 1.411 10.608 ( -3.451 -1.992 -8.593) 9.472 13.183 ( 0.332 0.192 2.274) 2.306 13.427 ( -8.408 -4.854 3.411) 10.290 16.460 ( 6.299 3.637 11.278) 13.420 16.726 ( -0.240 -0.139 -1.735) 1.757 17.220 ( 0.428 0.247 0.012) 0.495 17.899 ( 0.491 0.283 -15.150) 15.161 ======================= Grid point 119 (24/116) ======================= q-point: (-0.10 0.00 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -13.461 -7.771 10.604) 18.815 0.565 ( -14.362 -8.292 11.395) 20.121 0.866 ( -20.492 -11.831 16.965) 29.115 1.972 ( 2.286 1.320 1.564) 3.069 2.220 ( 0.293 0.169 -1.725) 1.758 2.281 ( -2.329 -1.344 1.010) 2.872 2.453 ( 18.856 10.887 20.780) 30.098 2.825 ( 5.507 3.179 -1.639) 6.567 2.937 ( -0.075 -0.043 0.301) 0.313 3.007 ( -2.168 -1.252 1.722) 3.038 3.231 ( -4.274 -2.468 0.735) 4.990 3.889 ( -11.701 -6.756 -21.799) 25.647 6.073 ( 0.589 0.340 -4.193) 4.248 6.093 ( -0.821 -0.474 -4.287) 4.391 6.790 ( -1.610 -0.930 -0.815) 2.030 8.937 ( 8.248 4.762 -1.530) 9.646 9.196 ( 1.063 0.614 1.232) 1.739 9.215 ( -1.048 -0.605 0.855) 1.481 9.413 ( 5.673 3.276 16.872) 18.099 9.809 ( -0.697 -0.402 -0.374) 0.888 10.428 ( -14.947 -8.629 -16.644) 23.977 13.187 ( -0.008 -0.004 2.010) 2.010 13.257 ( -6.085 -3.513 1.767) 7.245 16.601 ( 6.541 3.777 10.010) 12.540 16.722 ( -0.027 -0.016 -1.563) 1.564 17.227 ( 0.170 0.098 0.012) 0.197 17.895 ( -1.521 -0.878 -12.503) 12.626 ======================= Grid point 121 (25/116) ======================= q-point: ( 0.10 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.271 10.774 15.046) 18.508 0.772 ( 4.215 20.718 3.657) 21.457 1.333 ( 19.464 22.639 8.429) 31.023 1.929 ( -1.399 -2.869 1.124) 3.385 2.204 ( -3.312 -11.211 13.695) 18.006 2.261 ( 4.346 0.123 -1.518) 4.605 2.358 ( -0.650 4.516 2.593) 5.248 2.783 ( 1.584 -5.566 -0.294) 5.795 2.890 ( -4.462 -0.684 0.930) 4.608 3.051 ( 1.438 3.763 0.796) 4.106 3.273 ( 0.337 4.709 0.002) 4.721 3.980 ( 0.711 -0.796 -15.789) 15.825 6.066 ( -0.125 -0.791 -4.153) 4.229 6.103 ( 0.135 1.026 -4.396) 4.517 6.825 ( 1.455 2.506 -0.846) 3.019 8.835 ( -2.681 -3.398 -3.700) 5.694 9.192 ( -1.479 0.138 0.787) 1.681 9.217 ( 1.160 -0.376 1.987) 2.331 9.374 ( 0.740 -2.994 13.961) 14.297 9.837 ( 1.513 1.908 -0.279) 2.450 10.557 ( 0.876 5.496 -11.308) 12.604 13.192 ( -0.250 1.167 1.348) 1.801 13.333 ( 1.348 6.965 3.440) 7.885 16.465 ( -5.877 -5.780 9.970) 12.936 16.743 ( 1.146 1.144 -1.274) 2.060 17.223 ( -0.203 -0.363 0.033) 0.417 17.941 ( 3.553 -1.840 -13.574) 14.152 ======================= Grid point 122 (26/116) ======================= q-point: ( 0.20 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 6.838 8.061 10.864) 15.158 1.068 ( 6.255 19.975 0.640) 20.941 1.792 ( 6.496 5.096 1.742) 8.438 1.904 ( 3.084 -0.510 4.807) 5.734 2.093 ( 4.330 0.789 8.365) 9.452 2.326 ( -1.333 3.844 1.241) 4.254 2.418 ( 6.147 -0.158 0.572) 6.176 2.743 ( -4.557 1.089 2.186) 5.170 2.828 ( 0.792 -2.561 -0.399) 2.710 3.120 ( 2.792 2.413 -0.051) 3.691 3.331 ( 1.654 3.134 0.127) 3.546 3.900 ( -5.394 -6.236 -10.680) 13.492 6.053 ( -0.672 -0.414 -4.096) 4.171 6.119 ( 0.718 0.625 -4.512) 4.612 6.883 ( 2.179 2.660 -0.899) 3.555 8.782 ( -1.314 -0.947 -5.548) 5.779 9.152 ( -3.061 0.599 0.898) 3.245 9.238 ( 1.482 -1.184 4.517) 4.899 9.370 ( 2.462 -3.418 9.853) 10.716 9.890 ( 0.851 4.339 -0.093) 4.422 10.586 ( -0.376 0.750 -7.203) 7.252 13.194 ( -1.920 3.070 1.241) 3.828 13.455 ( 6.031 4.748 3.247) 8.335 16.311 ( -5.638 -5.158 7.542) 10.737 16.776 ( -0.111 3.549 -1.423) 3.825 17.215 ( -0.286 -0.359 -0.071) 0.465 17.957 ( 2.066 -4.542 -10.970) 12.052 ======================= Grid point 123 (27/116) ======================= q-point: ( 0.30 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 9.480 5.376 8.398) 13.759 1.365 ( 6.165 17.927 -0.811) 18.975 1.763 ( -2.864 -3.558 1.063) 4.689 1.826 ( -3.167 -6.802 5.271) 9.169 2.269 ( -7.814 1.535 3.757) 8.805 2.385 ( 10.004 5.656 1.650) 11.610 2.610 ( 15.393 5.476 1.377) 16.396 2.677 ( -4.896 3.381 1.492) 6.135 2.852 ( 3.026 -0.271 0.692) 3.116 3.185 ( 3.446 -0.385 -1.013) 3.612 3.383 ( 1.309 2.013 0.910) 2.568 3.690 ( -10.548 -8.090 -7.914) 15.471 6.036 ( -1.010 0.181 -4.144) 4.269 6.138 ( 1.054 0.023 -4.548) 4.669 6.943 ( 1.823 2.211 -0.955) 3.021 8.762 ( -0.484 -0.229 -5.873) 5.897 9.109 ( -2.391 0.464 0.995) 2.631 9.240 ( 0.132 -0.829 7.854) 7.898 9.385 ( 3.771 -4.959 5.109) 8.057 9.944 ( -1.166 6.759 -0.057) 6.859 10.578 ( 0.259 -1.406 -4.936) 5.139 13.191 ( -2.494 4.005 1.570) 4.972 13.614 ( 7.965 1.869 2.590) 8.582 16.179 ( -4.290 -3.932 5.937) 8.313 16.807 ( -1.924 6.063 -1.764) 6.601 17.207 ( -0.249 -0.267 -0.185) 0.409 17.929 ( 1.385 -6.612 -8.981) 11.239 ======================= Grid point 124 (28/116) ======================= q-point: ( 0.40 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 7.942 2.070 9.353) 12.444 1.573 ( 0.631 3.350 1.616) 3.773 1.710 ( 0.445 5.454 -1.065) 5.575 1.751 ( 0.154 -0.653 1.764) 1.887 2.106 ( -11.172 -0.486 5.067) 12.277 2.504 ( 3.104 0.081 1.799) 3.588 2.647 ( -2.730 3.383 1.157) 4.499 2.848 ( 3.441 -0.433 -1.482) 3.771 3.022 ( 14.413 6.665 1.728) 15.974 3.209 ( 0.907 -5.024 -2.228) 5.570 3.401 ( -7.177 -3.196 -3.315) 8.527 3.422 ( -4.107 -0.780 -0.758) 4.249 6.024 ( -0.877 0.729 -4.246) 4.396 6.152 ( 0.871 -0.544 -4.509) 4.624 6.982 ( 0.460 1.281 -0.994) 1.685 8.758 ( 0.007 0.033 -5.695) 5.695 9.084 ( -1.132 0.778 1.084) 1.750 9.234 ( -0.004 -0.410 9.580) 9.589 9.391 ( 3.240 -6.169 2.217) 7.312 9.976 ( -3.659 7.689 -0.315) 8.522 10.577 ( 1.809 -2.281 -3.382) 4.462 13.190 ( -2.360 4.320 1.903) 5.278 13.738 ( 5.854 -1.853 2.684) 6.701 16.101 ( -1.178 -1.744 5.455) 5.847 16.827 ( -3.817 7.770 -2.007) 8.886 17.202 ( -0.110 -0.146 -0.285) 0.338 17.885 ( 1.890 -7.567 -8.667) 11.659 ======================= Grid point 125 (29/116) ======================= q-point: (-0.50 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -2.140 -4.974 12.596) 13.711 1.583 ( 3.790 -0.213 1.535) 4.094 1.730 ( 1.132 -0.540 0.545) 1.368 1.816 ( -10.109 5.823 2.498) 11.931 1.984 ( 2.034 6.612 0.349) 6.927 2.518 ( -0.400 -1.791 2.415) 3.033 2.646 ( -1.517 3.676 1.331) 4.194 2.846 ( -4.791 -3.344 -3.082) 6.605 2.941 ( -11.278 -8.958 -0.960) 14.434 3.238 ( 1.225 -2.846 -0.537) 3.145 3.423 ( 0.129 0.528 1.755) 1.837 3.436 ( 11.347 6.513 -4.138) 13.722 6.022 ( -0.369 1.043 -4.326) 4.465 6.155 ( 0.297 -0.927 -4.428) 4.534 6.981 ( -1.355 0.238 -1.000) 1.700 8.762 ( 0.360 0.099 -5.640) 5.653 9.087 ( 0.133 1.581 1.167) 1.969 9.235 ( 0.545 -0.136 10.295) 10.310 9.373 ( 1.809 -6.290 0.984) 6.619 9.969 ( -5.187 6.512 -0.589) 8.346 10.595 ( 2.684 -2.135 -2.627) 4.320 13.195 ( -2.018 4.201 2.122) 5.121 13.760 ( 0.810 -5.449 3.387) 6.467 16.112 ( 3.260 0.298 6.005) 6.840 16.827 ( -5.025 7.620 -1.968) 9.337 17.201 ( 0.115 -0.021 -0.332) 0.352 17.854 ( 2.745 -6.349 -9.912) 12.087 ======================= Grid point 126 (30/116) ======================= q-point: (-0.40 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -7.473 -7.874 12.485) 16.545 1.498 ( -16.359 -0.438 5.527) 17.274 1.758 ( 6.013 1.569 2.642) 6.752 1.790 ( 3.868 -0.400 0.876) 3.986 2.142 ( 2.877 9.805 -2.442) 10.507 2.385 ( -16.967 -6.340 1.154) 18.150 2.553 ( -6.232 -6.334 -0.375) 8.894 2.662 ( -2.053 5.259 1.065) 5.745 2.873 ( 0.733 -2.293 1.264) 2.719 3.197 ( -1.696 -3.180 -0.138) 3.607 3.403 ( -1.657 -0.702 1.461) 2.318 3.699 ( 11.309 4.246 -7.058) 13.990 6.032 ( 0.234 1.017 -4.337) 4.460 6.145 ( -0.365 -1.013 -4.359) 4.490 6.943 ( -2.833 -0.464 -0.966) 3.028 8.772 ( 0.760 0.036 -5.760) 5.810 9.118 ( 0.905 2.579 1.206) 2.988 9.246 ( 0.978 -0.783 9.287) 9.371 9.337 ( 0.704 -4.490 2.459) 5.168 9.933 ( -5.130 4.191 -0.587) 6.650 10.618 ( 2.041 -1.853 -3.271) 4.278 13.202 ( -1.681 3.540 2.114) 4.453 13.665 ( -4.162 -7.228 4.034) 9.265 16.207 ( 6.813 0.755 7.366) 10.062 16.807 ( -4.848 5.415 -1.709) 7.466 17.205 ( 0.354 0.110 -0.263) 0.454 17.857 ( 2.914 -2.857 -11.892) 12.573 ======================= Grid point 127 (31/116) ======================= q-point: (-0.30 0.10 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -9.112 -7.853 13.340) 17.963 1.165 ( -19.357 -3.757 4.912) 20.321 1.764 ( -14.940 -2.480 1.137) 15.187 1.868 ( 2.683 1.322 1.992) 3.594 2.054 ( -2.176 0.341 7.255) 7.582 2.247 ( -1.230 7.004 -2.159) 7.432 2.454 ( -2.320 -5.160 1.998) 6.000 2.694 ( 0.142 5.771 -0.006) 5.773 2.875 ( 2.517 -3.064 1.705) 4.316 3.127 ( -3.393 -1.814 0.575) 3.890 3.353 ( -2.872 -1.709 0.793) 3.435 3.893 ( 7.417 2.089 -10.770) 13.242 6.048 ( 0.651 0.702 -4.271) 4.377 6.125 ( -0.831 -0.796 -4.352) 4.502 6.883 ( -3.392 -0.539 -0.906) 3.552 8.791 ( 1.643 -0.099 -5.476) 5.718 9.163 ( 0.958 2.980 1.178) 3.345 9.237 ( 0.161 -3.131 3.335) 4.578 9.331 ( 1.336 0.109 9.904) 9.995 9.883 ( -4.035 1.883 -0.426) 4.473 10.618 ( -0.125 -2.046 -5.867) 6.214 13.204 ( -1.355 2.027 1.810) 3.036 13.498 ( -6.793 -6.386 4.058) 10.168 16.341 ( 8.077 -0.392 8.938) 12.053 16.773 ( -3.421 2.431 -1.448) 4.439 17.214 ( 0.482 0.137 -0.088) 0.509 17.894 ( 2.020 1.402 -13.375) 13.599 ======================= Grid point 132 (32/116) ======================= q-point: ( 0.20 0.20 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 2.463 9.360 11.075) 14.708 1.459 ( 5.764 18.589 2.380) 19.607 1.771 ( -2.456 -3.773 1.438) 4.727 1.797 ( -2.111 -6.984 3.269) 7.995 2.294 ( 7.940 7.266 0.016) 10.763 2.389 ( 7.946 1.699 2.863) 8.615 2.428 ( 0.192 7.669 0.357) 7.680 2.773 ( 5.497 -0.926 0.569) 5.604 2.799 ( -5.005 1.980 1.440) 5.572 3.153 ( 0.084 1.096 -0.048) 1.101 3.389 ( 0.708 2.498 1.224) 2.870 3.742 ( -5.728 -9.615 -8.023) 13.770 6.047 ( 0.144 -0.150 -4.233) 4.238 6.129 ( -0.094 0.365 -4.458) 4.474 6.939 ( 1.628 2.799 -0.998) 3.389 8.769 ( -0.613 -0.460 -5.724) 5.775 9.161 ( -1.482 -0.361 0.928) 1.786 9.213 ( 0.357 -0.681 4.231) 4.301 9.305 ( 0.047 -2.701 8.400) 8.823 9.990 ( 3.749 5.362 -0.336) 6.551 10.580 ( -2.299 -1.320 -4.251) 5.009 13.255 ( 1.358 2.654 1.457) 3.318 13.551 ( 0.679 4.757 3.747) 6.093 16.205 ( -4.053 -5.356 6.621) 9.431 16.872 ( 3.042 5.858 -1.996) 6.896 17.207 ( -0.151 -0.381 -0.171) 0.444 17.844 ( -0.813 -6.359 -10.285) 12.119 ======================= Grid point 133 (33/116) ======================= q-point: ( 0.30 0.20 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 5.098 5.128 10.017) 12.354 1.618 ( -2.761 -0.937 4.552) 5.405 1.712 ( -0.984 -4.045 0.476) 4.190 1.782 ( 4.038 13.368 -0.531) 13.975 2.288 ( -7.964 -0.069 3.741) 8.799 2.449 ( 4.184 1.669 0.047) 4.505 2.677 ( 4.912 0.745 -1.137) 5.097 2.782 ( 1.658 4.298 0.096) 4.608 2.886 ( 8.419 5.447 2.414) 10.314 3.155 ( 0.434 -2.040 -0.784) 2.228 3.418 ( 0.282 1.233 1.593) 2.034 3.521 ( -8.593 -8.693 -6.044) 13.636 6.048 ( -0.525 0.995 -4.260) 4.406 6.130 ( 0.551 -0.771 -4.506) 4.605 6.986 ( 0.952 1.947 -1.078) 2.420 8.760 ( -0.213 -0.073 -5.501) 5.506 9.126 ( -2.423 1.104 1.138) 2.895 9.221 ( 1.136 -1.102 6.683) 6.868 9.283 ( 1.609 -4.654 4.969) 6.995 10.097 ( 0.371 8.233 -0.413) 8.252 10.526 ( -0.486 -3.917 -3.198) 5.080 13.292 ( -2.039 5.905 1.839) 6.512 13.614 ( 4.587 -1.831 2.971) 5.763 16.107 ( -2.255 -3.149 5.493) 6.722 16.979 ( -0.821 10.993 -2.961) 11.415 17.202 ( -0.113 -0.218 -0.245) 0.347 17.754 ( 0.785 -10.783 -8.099) 13.509 ======================= Grid point 134 (34/116) ======================= q-point: ( 0.40 0.20 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 2.098 -1.189 11.633) 11.881 1.556 ( -0.891 0.018 1.865) 2.067 1.679 ( 1.772 -3.048 1.069) 3.684 2.008 ( 4.370 14.161 -0.449) 14.827 2.104 ( -13.975 1.602 3.335) 14.456 2.506 ( 1.716 -1.042 1.125) 2.302 2.686 ( -1.079 0.653 -0.472) 1.347 2.826 ( 2.177 -1.734 -0.614) 2.850 3.050 ( -6.409 -3.733 -1.107) 7.499 3.148 ( 6.495 0.539 0.713) 6.556 3.354 ( 0.811 -0.735 -4.967) 5.086 3.433 ( -0.150 0.453 1.958) 2.016 6.048 ( -0.987 1.551 -4.337) 4.711 6.133 ( 0.913 -1.385 -4.462) 4.760 7.005 ( -0.538 0.924 -1.112) 1.543 8.759 ( 0.085 0.034 -5.331) 5.332 9.111 ( -0.901 1.958 1.188) 2.461 9.226 ( 0.266 -0.376 9.800) 9.811 9.268 ( 2.667 -5.614 1.379) 6.366 10.141 ( -5.252 8.291 -0.813) 9.849 10.505 ( 3.429 -4.730 -2.357) 6.299 13.303 ( -3.885 6.742 2.120) 8.065 13.654 ( 4.240 -6.179 2.905) 8.037 16.073 ( 0.820 -1.025 5.310) 5.470 17.037 ( -6.772 12.467 -3.254) 14.556 17.199 ( -0.013 -0.105 -0.329) 0.346 17.690 ( 5.507 -11.410 -7.803) 14.880 ======================= Grid point 136 (35/116) ======================= q-point: (-0.50 0.20 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -5.715 -4.266 11.658) 13.666 1.612 ( 4.465 2.014 3.345) 5.931 1.711 ( 3.803 -0.968 0.813) 4.008 1.839 ( -15.477 -1.851 2.435) 15.776 2.206 ( 2.786 12.161 -0.830) 12.504 2.482 ( -2.119 -2.929 2.060) 4.161 2.648 ( -5.595 -3.003 -2.459) 6.810 2.806 ( -10.119 2.071 0.339) 10.335 2.839 ( -1.305 -2.751 1.162) 3.259 3.173 ( 0.496 -2.933 0.149) 2.979 3.424 ( -1.036 -0.195 1.857) 2.135 3.528 ( 12.121 2.360 -5.674) 13.590 6.046 ( -0.684 1.079 -4.340) 4.524 6.133 ( 0.513 -1.037 -4.427) 4.575 6.986 ( -2.168 0.158 -1.082) 2.428 8.762 ( 0.333 -0.072 -5.466) 5.476 9.132 ( 0.533 2.604 1.149) 2.896 9.220 ( 0.409 -2.109 7.008) 7.330 9.270 ( 2.406 -2.420 4.420) 5.584 10.089 ( -7.512 4.347 -0.789) 8.715 10.541 ( 4.256 -2.639 -2.583) 5.635 13.292 ( -3.926 4.477 1.921) 6.257 13.630 ( 0.203 -6.112 3.453) 7.022 16.113 ( 4.300 -0.169 5.787) 7.212 16.986 ( -9.140 5.927 -2.644) 11.210 17.201 ( 0.245 0.048 -0.296) 0.388 17.730 ( 7.744 -4.226 -9.085) 12.663 ======================= Grid point 144 (36/116) ======================= q-point: ( 0.30 0.30 0.10) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.581 1.661 11.659) 11.791 1.578 ( 0.232 -0.264 2.001) 2.032 1.634 ( -1.979 -3.181 1.152) 3.919 2.055 ( 3.238 9.158 3.458) 10.311 2.283 ( 3.721 0.849 -0.299) 3.828 2.436 ( -3.154 -3.015 -0.682) 4.416 2.704 ( 2.022 2.505 -0.901) 3.343 2.787 ( -1.942 -2.192 -0.187) 2.935 3.036 ( 6.816 7.139 0.788) 9.901 3.131 ( -2.522 -0.476 0.517) 2.618 3.353 ( -3.945 -6.733 -5.255) 9.407 3.437 ( 0.075 0.172 2.000) 2.008 6.072 ( 0.796 1.272 -4.373) 4.623 6.110 ( -0.747 -1.176 -4.445) 4.658 7.014 ( 0.452 0.781 -1.170) 1.478 8.759 ( -0.046 -0.030 -5.165) 5.166 9.148 ( 0.257 0.947 1.229) 1.573 9.193 ( -0.521 -1.518 2.067) 2.617 9.224 ( -0.638 -1.123 8.973) 9.065 10.254 ( 4.361 7.016 -1.121) 8.337 10.428 ( -3.548 -5.509 -1.971) 6.843 13.408 ( 3.127 5.206 2.212) 6.463 13.551 ( -2.588 -3.956 2.797) 5.493 16.062 ( -0.773 -1.240 5.184) 5.387 17.197 ( 0.202 0.823 -0.635) 1.059 17.216 ( 6.076 10.627 -4.054) 12.895 17.526 ( -5.919 -11.162 -6.665) 14.285 ======================= Grid point 218 (37/116) ======================= q-point: ( 0.00 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 -0.000 15.597) 15.597 0.638 ( -0.000 0.000 15.597) 15.597 1.214 ( 0.000 0.000 26.824) 26.824 2.049 ( 0.000 0.000 3.008) 3.008 2.200 ( 0.000 -0.000 -2.285) 2.285 2.200 ( 0.000 -0.000 -2.285) 2.285 2.877 ( 0.000 -0.000 -1.888) 1.888 2.877 ( 0.000 -0.000 -1.888) 1.888 3.052 ( 0.000 0.000 3.567) 3.567 3.152 ( 0.000 -0.000 0.058) 0.058 3.152 ( 0.000 0.000 0.058) 0.058 3.264 ( 0.000 0.000 -4.324) 4.324 5.965 ( 0.000 0.000 -6.759) 6.759 5.965 ( 0.000 0.000 -6.759) 6.759 6.748 ( 0.000 -0.000 -1.332) 1.332 8.993 ( 0.000 0.000 -5.686) 5.686 9.237 ( 0.000 -0.000 1.705) 1.705 9.237 ( 0.000 -0.000 1.705) 1.705 9.794 ( 0.000 -0.000 -0.428) 0.428 9.794 ( -0.000 0.000 -0.428) 0.428 9.931 ( 0.000 0.000 4.683) 4.683 13.231 ( 0.000 -0.000 2.735) 2.735 13.231 ( 0.000 0.000 2.735) 2.735 16.686 ( 0.000 -0.000 -2.226) 2.226 16.686 ( 0.000 0.000 -2.226) 2.226 17.225 ( 0.000 0.000 -0.109) 0.109 17.801 ( 0.000 0.000 -2.052) 2.052 ======================= Grid point 219 (38/116) ======================= q-point: ( 0.10 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 4.837 2.793 12.252) 13.465 0.835 ( 8.205 4.737 15.873) 18.485 1.355 ( 13.275 7.664 20.750) 25.798 2.015 ( -2.489 -1.437 2.753) 3.980 2.223 ( 3.524 2.035 -2.539) 4.797 2.245 ( 2.232 1.288 -1.127) 2.812 2.777 ( -11.848 -6.840 7.353) 15.531 2.873 ( -4.792 -2.766 0.227) 5.538 2.907 ( -1.064 -0.614 -0.530) 1.338 3.011 ( -1.135 -0.655 1.441) 1.947 3.186 ( 3.799 2.193 0.944) 4.487 3.563 ( 10.208 5.893 -12.575) 17.235 5.962 ( -0.422 -0.243 -6.749) 6.767 5.969 ( 0.467 0.269 -6.779) 6.801 6.767 ( 1.587 0.916 -1.351) 2.277 8.873 ( -7.658 -4.421 -3.399) 9.473 9.219 ( -1.324 -0.765 1.656) 2.254 9.257 ( 1.589 0.917 1.727) 2.520 9.707 ( -2.638 -1.523 9.350) 9.834 9.807 ( 0.885 0.511 -0.409) 1.101 10.150 ( 10.917 6.303 -7.564) 14.701 13.217 ( -0.621 -0.359 2.676) 2.770 13.304 ( 5.210 3.008 3.129) 6.781 16.673 ( -1.818 -1.049 1.387) 2.516 16.695 ( 0.414 0.239 -2.189) 2.241 17.225 ( -0.081 -0.047 -0.210) 0.230 17.754 ( -2.536 -1.464 -5.857) 6.549 ======================= Grid point 220 (39/116) ======================= q-point: ( 0.20 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 10.409 6.010 6.370) 13.603 0.980 ( 5.850 3.377 15.977) 17.346 1.730 ( 14.565 8.409 7.973) 18.612 1.984 ( 2.464 1.423 5.539) 6.227 2.294 ( 1.798 1.038 0.159) 2.083 2.323 ( 2.970 1.715 -1.502) 3.744 2.500 ( -8.023 -4.632 10.560) 14.048 2.819 ( -5.142 -2.969 2.378) 6.396 2.853 ( 0.427 0.246 0.060) 0.496 3.049 ( 3.146 1.816 -1.540) 3.946 3.280 ( 4.182 2.415 1.367) 5.019 3.674 ( -0.052 -0.030 -14.360) 14.360 5.947 ( -0.888 -0.513 -6.782) 6.859 5.985 ( 0.932 0.538 -6.785) 6.870 6.816 ( 2.637 1.523 -1.406) 3.354 8.732 ( -4.329 -2.499 -3.022) 5.841 9.182 ( -1.849 -1.067 1.617) 2.678 9.303 ( 2.277 1.314 2.066) 3.344 9.665 ( -1.535 -0.886 11.145) 11.285 9.831 ( 1.161 0.670 -0.431) 1.408 10.339 ( 5.788 3.342 -9.382) 11.519 13.204 ( -0.488 -0.282 2.737) 2.794 13.448 ( 7.202 4.158 4.238) 9.334 16.580 ( -6.070 -3.504 7.395) 10.189 16.704 ( 0.330 0.191 -2.234) 2.266 17.219 ( -0.427 -0.246 -0.179) 0.524 17.726 ( -0.023 -0.013 -12.806) 12.806 ======================= Grid point 221 (40/116) ======================= q-point: ( 0.30 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 11.839 6.835 2.053) 13.824 1.133 ( 7.654 4.419 12.086) 14.973 1.814 ( -1.996 -1.152 0.127) 2.308 2.135 ( -4.303 -2.484 9.952) 11.123 2.310 ( -0.897 -0.518 1.939) 2.198 2.327 ( 10.725 6.192 4.855) 13.301 2.562 ( 8.696 5.021 2.271) 10.295 2.707 ( -4.251 -2.454 3.007) 5.756 2.873 ( 1.264 0.730 1.278) 1.940 3.124 ( 3.177 1.834 -2.833) 4.635 3.370 ( 3.575 2.064 2.147) 4.653 3.585 ( -7.270 -4.197 -12.815) 15.320 5.924 ( -1.053 -0.608 -6.856) 6.963 6.009 ( 1.047 0.604 -6.836) 6.942 6.879 ( 2.718 1.569 -1.479) 3.469 8.669 ( -1.513 -0.873 -3.828) 4.207 9.140 ( -1.669 -0.963 1.607) 2.509 9.354 ( 2.107 1.217 3.110) 3.949 9.627 ( -1.846 -1.066 9.970) 10.195 9.857 ( 0.993 0.573 -0.492) 1.248 10.434 ( 2.969 1.714 -7.297) 8.063 13.196 ( -0.173 -0.100 2.897) 2.904 13.624 ( 8.031 4.637 4.697) 10.395 16.425 ( -6.896 -3.981 9.020) 12.032 16.709 ( 0.113 0.065 -2.341) 2.345 17.207 ( -0.499 -0.288 -0.267) 0.635 17.731 ( -0.007 -0.004 -14.968) 14.968 ======================= Grid point 222 (41/116) ======================= q-point: ( 0.40 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 9.033 5.215 8.760) 13.621 1.348 ( 11.218 6.477 -0.798) 12.978 1.760 ( -2.250 -1.299 0.846) 2.733 1.963 ( -7.809 -4.509 9.300) 12.954 2.237 ( -5.529 -3.192 4.444) 7.779 2.550 ( 6.255 3.612 3.634) 8.086 2.639 ( -1.796 -1.037 2.501) 3.249 2.796 ( 7.838 4.525 0.117) 9.052 2.941 ( 7.386 4.265 1.882) 8.734 3.186 ( 2.131 1.230 -3.578) 4.342 3.360 ( -12.164 -7.023 -10.422) 17.490 3.438 ( 2.308 1.332 2.906) 3.943 5.902 ( -0.784 -0.452 -6.948) 7.006 6.030 ( 0.753 0.434 -6.934) 6.989 6.932 ( 1.714 0.990 -1.542) 2.509 8.652 ( -0.231 -0.133 -4.246) 4.255 9.110 ( -0.904 -0.522 1.623) 1.929 9.398 ( 1.756 1.014 4.957) 5.356 9.577 ( -2.605 -1.504 7.389) 7.978 9.874 ( 0.508 0.293 -0.562) 0.813 10.490 ( 2.110 1.218 -5.217) 5.758 13.197 ( 0.220 0.127 3.095) 3.106 13.794 ( 6.373 3.679 4.562) 8.658 16.294 ( -4.051 -2.339 8.615) 9.803 16.709 ( -0.146 -0.084 -2.472) 2.478 17.198 ( -0.353 -0.204 -0.405) 0.575 17.715 ( -1.418 -0.818 -14.680) 14.771 ======================= Grid point 223 (42/116) ======================= q-point: (-0.50 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 8.224 4.748 8.961) 13.057 1.576 ( 8.106 4.680 -2.276) 9.632 1.704 ( -3.443 -1.988 3.540) 5.323 1.822 ( -3.251 -1.877 5.945) 7.031 2.079 ( -7.439 -4.295 6.075) 10.521 2.614 ( -0.670 -0.387 2.057) 2.198 2.643 ( 2.316 1.337 4.967) 5.642 2.838 ( -2.738 -1.581 -2.231) 3.869 3.049 ( -12.269 -7.083 -4.701) 14.926 3.210 ( 11.546 6.666 -3.276) 13.729 3.218 ( 0.694 0.401 -3.408) 3.500 3.470 ( 0.421 0.243 3.110) 3.148 5.891 ( -0.154 -0.089 -7.011) 7.013 6.041 ( 0.156 0.090 -7.017) 7.019 6.952 ( -0.012 -0.007 -1.566) 1.566 8.653 ( 0.243 0.140 -4.350) 4.360 9.102 ( 0.177 0.102 1.654) 1.667 9.438 ( 1.842 1.064 6.991) 7.308 9.508 ( -3.413 -1.971 4.879) 6.272 9.879 ( -0.129 -0.075 -0.604) 0.622 10.532 ( 1.508 0.871 -4.211) 4.557 13.206 ( 0.540 0.312 3.253) 3.312 13.890 ( 1.526 0.881 4.311) 4.657 16.261 ( 1.423 0.822 8.725) 8.878 16.703 ( -0.340 -0.196 -2.577) 2.607 17.192 ( -0.098 -0.056 -0.514) 0.526 17.669 ( -2.567 -1.482 -14.699) 14.995 ======================= Grid point 225 (43/116) ======================= q-point: (-0.40 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -7.996 -4.616 12.447) 15.497 1.636 ( -4.935 -2.849 2.693) 6.302 1.772 ( 8.441 4.873 3.544) 10.371 1.820 ( 1.860 1.074 3.385) 4.009 1.983 ( 1.114 0.643 1.265) 1.804 2.564 ( -16.414 -9.477 -1.671) 19.027 2.606 ( 0.093 0.053 2.009) 2.012 2.673 ( -2.063 -1.191 3.107) 3.915 2.920 ( -0.567 -0.327 0.656) 0.926 3.215 ( -1.028 -0.594 -2.297) 2.586 3.448 ( 8.675 5.008 -7.187) 12.328 3.457 ( -1.454 -0.839 2.571) 3.070 5.896 ( 0.539 0.311 -7.010) 7.037 6.036 ( -0.507 -0.292 -7.030) 7.054 6.931 ( -1.727 -0.997 -1.540) 2.520 8.662 ( 0.595 0.343 -4.300) 4.354 9.118 ( 1.195 0.690 1.689) 2.181 9.425 ( -3.724 -2.150 2.348) 4.899 9.485 ( 2.308 1.332 9.670) 10.031 9.869 ( -0.732 -0.423 -0.601) 1.037 10.552 ( 0.085 0.049 -4.613) 4.614 13.220 ( 0.649 0.375 3.308) 3.391 13.855 ( -4.500 -2.598 3.963) 6.535 16.358 ( 6.765 3.905 10.132) 12.793 16.694 ( -0.402 -0.232 -2.618) 2.659 17.194 ( 0.261 0.151 -0.555) 0.632 17.606 ( -2.720 -1.570 -15.744) 16.054 ======================= Grid point 226 (44/116) ======================= q-point: (-0.30 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -10.217 -5.899 11.354) 16.374 1.415 ( -12.325 -7.116 8.315) 16.483 1.862 ( -0.354 -0.205 2.408) 2.442 1.923 ( 1.166 0.673 6.164) 6.309 2.065 ( 4.043 2.334 -3.593) 5.891 2.211 ( -7.548 -4.358 3.463) 9.378 2.599 ( -4.684 -2.704 3.447) 6.414 2.627 ( 1.968 1.136 1.851) 2.930 2.936 ( 1.337 0.772 1.877) 2.430 3.172 ( -2.608 -1.506 -0.584) 3.067 3.408 ( -2.781 -1.606 1.524) 3.555 3.599 ( 4.506 2.601 -11.476) 12.600 5.913 ( 0.965 0.557 -6.952) 7.041 6.019 ( -0.963 -0.556 -6.966) 7.054 6.879 ( -2.711 -1.565 -1.477) 3.461 8.685 ( 1.580 0.912 -3.957) 4.357 9.153 ( 1.800 1.039 1.717) 2.696 9.343 ( -3.329 -1.922 1.723) 4.212 9.543 ( 2.750 1.587 10.855) 11.310 9.847 ( -1.114 -0.643 -0.562) 1.404 10.526 ( -2.643 -1.526 -6.379) 7.072 13.233 ( 0.496 0.286 3.240) 3.290 13.700 ( -8.610 -4.971 3.314) 10.480 16.537 ( 8.047 4.646 11.584) 14.850 16.686 ( -0.316 -0.182 -2.577) 2.603 17.205 ( 0.672 0.388 -0.333) 0.845 17.560 ( -0.893 -0.516 -16.661) 16.692 ======================= Grid point 227 (45/116) ======================= q-point: (-0.20 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -12.875 -7.433 9.290) 17.530 1.119 ( -13.239 -7.644 11.152) 18.923 1.596 ( -15.690 -9.059 12.556) 22.043 1.962 ( 2.832 1.635 3.647) 4.898 2.134 ( 2.029 1.172 -4.162) 4.777 2.307 ( 6.444 3.720 4.208) 8.548 2.504 ( -0.244 -0.141 5.999) 6.006 2.697 ( 4.061 2.345 0.818) 4.760 2.957 ( 0.121 0.070 1.440) 1.446 3.106 ( -2.935 -1.695 1.118) 3.569 3.334 ( -3.723 -2.149 0.643) 4.347 3.644 ( -0.874 -0.505 -14.472) 14.507 5.936 ( 0.984 0.568 -6.874) 6.967 5.996 ( -1.030 -0.595 -6.856) 6.958 6.816 ( -2.624 -1.515 -1.404) 3.340 8.745 ( 4.092 2.362 -3.228) 5.722 9.195 ( 1.765 1.019 1.735) 2.676 9.278 ( -2.296 -1.325 1.537) 3.064 9.609 ( 3.027 1.748 11.391) 11.915 9.821 ( -1.114 -0.643 -0.511) 1.384 10.417 ( -7.283 -4.205 -8.779) 12.157 13.241 ( 0.150 0.087 3.080) 3.085 13.487 ( -9.470 -5.467 2.499) 11.217 16.679 ( 3.678 2.124 8.455) 9.462 16.681 ( -0.116 -0.067 -2.467) 2.471 17.220 ( 0.498 0.287 -0.062) 0.578 17.591 ( 4.075 2.353 -12.874) 13.707 ======================= Grid point 228 (46/116) ======================= q-point: (-0.10 0.00 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -11.924 -6.884 10.793) 17.494 0.833 ( -11.286 -6.516 13.899) 19.053 1.313 ( -8.485 -4.899 22.971) 24.973 2.021 ( 2.154 1.244 3.132) 4.000 2.168 ( 1.231 0.711 -3.376) 3.663 2.278 ( -4.485 -2.589 -0.969) 5.268 2.752 ( 17.620 10.173 8.653) 22.110 2.797 ( 4.298 2.482 -0.846) 5.035 2.934 ( -1.974 -1.140 -0.460) 2.326 3.055 ( -1.215 -0.701 2.585) 2.941 3.241 ( -4.338 -2.504 0.273) 5.016 3.534 ( -9.347 -5.396 -13.029) 16.919 5.956 ( 0.663 0.383 -6.804) 6.847 5.975 ( -0.706 -0.408 -6.763) 6.812 6.767 ( -1.581 -0.913 -1.351) 2.271 8.879 ( 7.254 4.188 -3.573) 9.106 9.228 ( 1.017 0.587 1.735) 2.094 9.242 ( -0.830 -0.479 1.644) 1.903 9.687 ( 4.214 2.433 9.636) 10.795 9.800 ( -0.635 -0.367 -0.466) 0.869 10.182 ( -13.168 -7.602 -7.638) 17.016 13.240 ( -0.242 -0.140 2.888) 2.902 13.299 ( -6.293 -3.633 2.366) 7.642 16.681 ( 0.129 0.075 -2.333) 2.337 16.705 ( -0.746 -0.431 1.126) 1.418 17.225 ( 0.026 0.015 -0.214) 0.216 17.723 ( 6.089 3.516 -5.068) 8.668 ======================= Grid point 230 (47/116) ======================= q-point: ( 0.10 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.210 18.422 6.930) 19.683 0.974 ( 1.406 8.909 15.867) 18.252 1.575 ( 14.136 13.688 13.591) 23.914 1.975 ( -1.190 -2.330 3.319) 4.226 2.215 ( 6.064 -1.111 -2.914) 6.819 2.319 ( -0.539 1.696 0.405) 1.825 2.533 ( -4.488 -10.856 10.006) 15.431 2.780 ( 3.270 -4.687 0.218) 5.719 2.913 ( -4.612 0.433 1.125) 4.767 3.067 ( -0.534 3.869 0.552) 3.944 3.280 ( 0.282 5.359 0.836) 5.431 3.651 ( 2.762 1.870 -14.566) 14.944 5.948 ( -0.006 -0.906 -6.812) 6.872 5.984 ( 0.040 0.961 -6.803) 6.870 6.801 ( 1.421 2.443 -1.393) 3.151 8.768 ( -3.439 -4.951 -2.967) 6.719 9.216 ( -1.545 0.008 1.427) 2.103 9.257 ( 1.975 -0.303 1.932) 2.780 9.644 ( -0.055 -3.845 11.067) 11.717 9.830 ( 1.796 1.851 -0.322) 2.599 10.333 ( 1.920 9.301 -9.350) 13.327 13.235 ( -0.981 1.377 2.617) 3.116 13.406 ( 3.051 7.449 3.434) 8.752 16.634 ( -4.356 -3.036 4.594) 7.021 16.715 ( 0.268 1.358 -0.734) 1.567 17.222 ( -0.243 -0.294 -0.159) 0.413 17.673 ( 2.224 -5.636 -10.872) 12.447 ======================= Grid point 231 (48/116) ======================= q-point: ( 0.20 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.933 11.577 10.782) 15.938 1.120 ( 4.557 14.483 6.751) 16.617 1.821 ( 0.633 0.275 0.952) 1.176 2.058 ( 9.298 2.696 9.337) 13.450 2.241 ( 1.386 -4.619 4.596) 6.662 2.331 ( 3.840 2.675 -0.530) 4.710 2.472 ( 2.291 0.913 4.563) 5.187 2.795 ( -2.510 0.033 2.686) 3.676 2.831 ( -0.165 -1.283 0.680) 1.461 3.109 ( 1.045 2.929 -1.090) 3.295 3.351 ( 2.074 4.134 1.762) 4.949 3.636 ( -3.259 -3.798 -13.541) 14.436 5.935 ( -0.642 -0.523 -6.840) 6.890 5.997 ( 0.655 0.566 -6.846) 6.901 6.858 ( 2.144 2.554 -1.475) 3.647 8.689 ( -2.008 -1.694 -3.582) 4.443 9.178 ( -2.843 0.472 1.501) 3.250 9.299 ( 3.599 -1.416 2.226) 4.462 9.603 ( -0.164 -4.300 10.711) 11.543 9.887 ( 0.984 4.357 -0.106) 4.468 10.420 ( 1.060 3.833 -7.952) 8.891 13.235 ( -1.588 2.952 2.566) 4.221 13.544 ( 5.671 5.242 4.663) 9.021 16.493 ( -6.425 -5.315 8.780) 12.109 16.736 ( -0.460 3.069 -2.238) 3.826 17.212 ( -0.410 -0.437 -0.195) 0.631 17.676 ( 3.199 -4.528 -14.607) 15.623 ======================= Grid point 232 (49/116) ======================= q-point: ( 0.30 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 6.148 6.451 9.813) 13.256 1.368 ( 4.810 17.512 1.335) 18.209 1.778 ( -2.059 -2.353 0.491) 3.165 1.980 ( -3.950 -10.522 8.520) 14.103 2.348 ( -5.601 3.291 3.283) 7.279 2.437 ( 9.049 2.979 3.573) 10.174 2.634 ( 13.341 2.340 0.949) 13.578 2.720 ( -4.542 3.356 2.622) 6.226 2.879 ( 4.074 0.806 1.766) 4.513 3.151 ( 1.820 0.243 -2.218) 2.880 3.420 ( 1.686 2.545 2.281) 3.811 3.481 ( -8.488 -5.805 -11.098) 15.130 5.918 ( -1.065 0.086 -6.915) 6.998 6.015 ( 1.026 -0.030 -6.915) 6.991 6.916 ( 1.818 2.074 -1.567) 3.172 8.658 ( -0.690 -0.251 -4.111) 4.176 9.137 ( -2.297 0.497 1.590) 2.837 9.346 ( 3.712 -1.886 2.965) 5.112 9.553 ( -0.377 -4.931 9.472) 10.685 9.940 ( -1.382 6.653 -0.289) 6.801 10.461 ( 1.565 0.533 -5.858) 6.086 13.238 ( -2.081 4.095 2.871) 5.416 13.695 ( 7.388 2.103 4.767) 9.041 16.340 ( -5.113 -4.438 8.854) 11.146 16.757 ( -1.772 4.907 -2.904) 5.971 17.201 ( -0.366 -0.347 -0.343) 0.609 17.674 ( 2.152 -5.536 -14.506) 15.675 ======================= Grid point 233 (50/116) ======================= q-point: ( 0.40 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 8.692 4.351 7.226) 12.112 1.606 ( 2.885 14.933 0.865) 15.233 1.724 ( -1.758 -2.416 2.102) 3.653 1.827 ( -2.251 -6.697 6.432) 9.554 2.223 ( -10.346 0.437 5.949) 11.943 2.558 ( 4.407 -0.599 3.326) 5.554 2.676 ( -1.428 1.727 1.435) 2.661 2.825 ( 3.098 -0.103 -0.544) 3.147 3.047 ( 11.057 5.121 0.651) 12.203 3.141 ( -2.800 -5.818 -4.636) 7.949 3.265 ( -7.178 -1.664 -6.814) 10.036 3.468 ( 0.789 1.423 3.058) 3.463 5.904 ( -0.934 0.654 -6.991) 7.084 6.029 ( 0.869 -0.559 -6.997) 7.072 6.954 ( 0.503 1.143 -1.627) 2.052 8.653 ( -0.060 0.216 -4.286) 4.292 9.114 ( -1.088 0.858 1.654) 2.157 9.388 ( 3.603 -2.384 3.592) 5.618 9.494 ( -0.806 -4.690 8.442) 9.691 9.965 ( -3.848 7.287 -0.696) 8.270 10.493 ( 2.571 -1.132 -4.318) 5.151 13.245 ( -2.138 4.515 3.179) 5.921 13.816 ( 5.848 -1.725 4.468) 7.559 16.251 ( -1.096 -1.919 8.448) 8.732 16.770 ( -3.201 6.397 -3.255) 7.859 17.193 ( -0.194 -0.207 -0.471) 0.550 17.641 ( 1.110 -6.518 -13.903) 15.395 ======================= Grid point 234 (51/116) ======================= q-point: (-0.50 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -1.054 -4.740 13.573) 14.416 1.614 ( 3.916 0.946 1.288) 4.230 1.752 ( 1.332 1.894 1.698) 2.871 1.844 ( -1.497 8.246 0.721) 8.412 2.047 ( -7.083 0.662 5.228) 8.828 2.578 ( -0.587 -1.862 2.908) 3.503 2.682 ( 0.050 -1.092 1.495) 1.852 2.779 ( -10.241 -1.455 -2.093) 10.554 2.925 ( -3.949 -4.557 -0.698) 6.070 3.215 ( -0.219 -1.237 -1.854) 2.239 3.323 ( 10.888 4.371 -5.796) 13.086 3.476 ( -0.861 0.237 2.980) 3.110 5.901 ( -0.378 1.019 -7.016) 7.100 6.032 ( 0.332 -0.915 -7.038) 7.105 6.953 ( -1.262 0.131 -1.627) 2.063 8.657 ( 0.255 0.253 -4.306) 4.321 9.118 ( 0.156 1.609 1.676) 2.328 9.400 ( 1.307 -6.289 1.468) 6.589 9.459 ( 1.058 -0.001 10.534) 10.587 9.954 ( -5.024 6.114 -0.843) 7.958 10.522 ( 2.317 -1.850 -4.036) 5.008 13.253 ( -1.941 4.193 3.290) 5.673 13.843 ( 1.084 -5.305 4.243) 6.879 16.273 ( 4.556 0.236 8.907) 10.007 16.772 ( -4.181 6.779 -3.138) 8.561 17.191 ( 0.112 -0.034 -0.557) 0.569 17.592 ( 0.547 -5.707 -14.363) 15.465 ======================= Grid point 235 (52/116) ======================= q-point: (-0.40 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -7.164 -7.983 12.884) 16.764 1.605 ( -13.752 -2.126 3.954) 14.466 1.812 ( 3.872 -1.248 1.343) 4.284 1.851 ( 6.936 2.858 6.406) 9.865 2.100 ( 1.040 9.969 -1.558) 10.143 2.399 ( -16.363 -4.699 0.326) 17.027 2.580 ( -1.324 -3.781 2.837) 4.909 2.703 ( -3.327 4.225 2.870) 6.096 2.900 ( 1.706 -1.897 1.341) 2.882 3.186 ( -1.053 -2.203 -1.060) 2.662 3.443 ( -2.594 -0.723 2.303) 3.543 3.518 ( 7.874 2.114 -9.649) 12.632 5.911 ( 0.270 1.065 -6.974) 7.060 6.022 ( -0.299 -1.005 -7.006) 7.084 6.916 ( -2.713 -0.524 -1.566) 3.176 8.668 ( 0.865 0.189 -4.172) 4.265 9.149 ( 0.939 2.449 1.640) 3.093 9.338 ( -0.710 -5.499 1.909) 5.864 9.505 ( 2.990 0.849 10.480) 10.932 9.919 ( -4.881 4.136 -0.678) 6.433 10.525 ( 0.317 -2.550 -5.178) 5.780 13.259 ( -1.651 3.071 3.163) 4.708 13.752 ( -4.272 -6.960 4.022) 9.103 16.395 ( 8.808 -0.005 9.842) 13.207 16.761 ( -4.078 5.372 -2.348) 7.142 17.198 ( 0.515 0.237 -0.478) 0.742 17.559 ( 0.425 -2.065 -15.708) 15.849 ======================= Grid point 236 (53/116) ======================= q-point: (-0.30 0.10 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -8.273 -6.487 13.855) 17.392 1.269 ( -17.102 -9.193 5.160) 20.090 1.816 ( -6.101 -1.078 3.089) 6.923 1.956 ( -3.239 3.222 6.988) 8.349 2.155 ( 0.916 5.154 -0.492) 5.258 2.237 ( 1.278 4.952 2.930) 5.894 2.514 ( -2.154 -4.106 3.830) 6.014 2.709 ( -0.740 5.359 1.412) 5.591 2.914 ( 2.435 -3.294 1.923) 4.525 3.136 ( -2.412 -1.873 0.075) 3.055 3.375 ( -3.819 -1.772 1.450) 4.453 3.632 ( 3.582 0.985 -13.176) 13.690 5.929 ( 0.700 0.816 -6.894) 6.978 6.004 ( -0.746 -0.807 -6.910) 6.997 6.857 ( -3.281 -0.556 -1.474) 3.640 8.697 ( 2.578 0.159 -3.669) 4.487 9.192 ( 1.047 2.473 1.521) 3.086 9.279 ( -0.872 -3.328 1.851) 3.907 9.571 ( 3.337 1.362 11.107) 11.678 9.873 ( -3.968 2.148 -0.433) 4.532 10.472 ( -3.408 -3.461 -7.424) 8.872 13.255 ( -1.264 1.034 2.865) 3.298 13.581 ( -7.685 -5.667 3.688) 10.236 16.542 ( 8.614 -2.037 8.796) 12.479 16.741 ( -2.757 2.330 -1.086) 3.770 17.211 ( 0.708 0.218 -0.151) 0.756 17.579 ( 1.591 3.341 -15.429) 15.867 ======================= Grid point 241 (54/116) ======================= q-point: ( 0.20 0.20 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -0.076 9.008 13.214) 15.993 1.501 ( 2.781 20.129 1.399) 20.368 1.789 ( -2.287 -2.651 0.567) 3.547 1.920 ( -1.869 -10.667 7.595) 13.227 2.298 ( 9.379 -0.038 -0.154) 9.380 2.416 ( 11.595 8.629 1.072) 14.493 2.491 ( -3.271 1.927 4.586) 5.953 2.799 ( 5.789 0.315 1.887) 6.097 2.834 ( -4.971 1.288 1.891) 5.473 3.147 ( -0.662 1.170 -0.547) 1.451 3.427 ( 1.047 3.334 2.382) 4.229 3.532 ( -4.695 -6.559 -11.333) 13.910 5.928 ( 0.191 -0.272 -6.920) 6.928 6.006 ( -0.162 0.325 -6.963) 6.972 6.911 ( 1.555 2.667 -1.603) 3.479 8.667 ( -0.704 -0.604 -4.059) 4.164 9.186 ( -1.353 -0.249 1.356) 1.932 9.270 ( 0.952 -0.730 2.247) 2.548 9.523 ( -0.887 -3.626 10.558) 11.199 9.981 ( 3.981 4.821 -0.478) 6.271 10.471 ( -1.890 1.152 -5.773) 6.182 13.299 ( 1.177 3.112 2.657) 4.257 13.644 ( 0.579 4.653 4.764) 6.685 16.377 ( -5.270 -6.068 9.152) 12.180 16.818 ( 1.974 4.949 -2.983) 6.106 17.202 ( -0.190 -0.549 -0.319) 0.662 17.573 ( 1.537 -5.270 -14.687) 15.679 ======================= Grid point 242 (55/116) ======================= q-point: ( 0.30 0.20 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.213 6.950 10.657) 13.122 1.715 ( 0.754 2.131 -0.338) 2.286 1.746 ( -2.585 7.281 5.359) 9.403 1.789 ( 0.244 -1.685 3.346) 3.754 2.393 ( -6.227 -0.936 6.272) 8.888 2.446 ( 6.372 -0.216 -0.604) 6.404 2.651 ( 5.752 0.324 -0.971) 5.843 2.798 ( -0.599 2.332 1.256) 2.715 2.931 ( 8.272 4.870 1.797) 9.766 3.134 ( -1.441 -1.172 -1.212) 2.218 3.357 ( -7.096 -6.087 -8.430) 12.589 3.471 ( 0.717 1.769 2.853) 3.432 5.928 ( -0.552 0.889 -6.981) 7.058 6.007 ( 0.537 -0.784 -7.009) 7.073 6.956 ( 0.943 1.788 -1.729) 2.659 8.658 ( -0.221 0.121 -4.201) 4.209 9.155 ( -2.255 1.217 1.615) 3.028 9.289 ( 3.265 -3.416 2.106) 5.173 9.473 ( -0.941 -2.881 10.208) 10.649 10.083 ( 0.298 7.441 -0.897) 7.500 10.445 ( 0.013 -2.244 -4.287) 4.839 13.344 ( -1.608 6.270 3.007) 7.138 13.697 ( 3.999 -1.979 4.654) 6.447 16.258 ( -2.754 -3.616 8.493) 9.633 16.898 ( -1.043 9.123 -4.556) 10.250 17.194 ( -0.186 -0.306 -0.435) 0.564 17.527 ( 1.622 -8.894 -12.835) 15.699 ======================= Grid point 243 (56/116) ======================= q-point: ( 0.40 0.20 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.809 2.598 10.908) 12.200 1.624 ( -4.380 -3.848 5.549) 8.049 1.712 ( 2.153 -2.263 2.260) 3.856 1.981 ( 1.411 17.473 -1.855) 17.628 2.210 ( -11.914 -2.337 6.021) 13.552 2.538 ( 4.959 -3.057 1.969) 6.150 2.667 ( -1.206 -0.726 -1.122) 1.801 2.821 ( 1.877 -1.061 0.130) 2.160 3.021 ( -9.265 -2.276 -1.767) 9.703 3.155 ( 9.312 3.352 -0.732) 9.924 3.233 ( -0.654 -2.082 -5.168) 5.610 3.488 ( -0.121 0.599 3.144) 3.203 5.926 ( -0.992 1.490 -7.022) 7.246 6.009 ( 0.925 -1.371 -7.041) 7.233 6.973 ( -0.461 0.787 -1.780) 2.000 8.658 ( -0.022 0.230 -4.223) 4.230 9.143 ( -0.934 2.059 1.728) 2.846 9.301 ( 2.755 -5.206 1.760) 6.147 9.444 ( 0.153 -0.920 10.363) 10.405 10.118 ( -5.140 7.565 -1.374) 9.249 10.443 ( 3.332 -3.807 -3.419) 6.106 13.362 ( -3.931 6.979 3.369) 8.690 13.732 ( 4.454 -6.328 4.286) 8.846 16.220 ( 1.149 -1.218 8.286) 8.453 16.946 ( -5.336 10.498 -5.187) 12.868 17.190 ( -0.059 -0.154 -0.538) 0.563 17.476 ( 3.782 -9.507 -12.036) 15.797 ======================= Grid point 245 (57/116) ======================= q-point: (-0.50 0.20 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -6.205 -5.874 12.762) 15.358 1.676 ( 5.756 3.418 1.765) 6.923 1.756 ( 4.607 0.184 4.145) 6.199 1.896 ( -15.707 -4.887 2.953) 16.712 2.196 ( 1.409 13.278 -0.286) 13.355 2.541 ( -0.276 -3.937 3.633) 5.365 2.599 ( -6.649 -1.912 -1.763) 7.139 2.829 ( -3.619 2.550 1.485) 4.670 2.861 ( -3.359 -1.002 0.965) 3.636 3.172 ( -0.308 -2.648 -0.412) 2.697 3.378 ( 9.848 1.009 -7.975) 12.712 3.476 ( -1.625 -0.190 2.918) 3.345 5.925 ( -0.627 1.115 -6.994) 7.110 6.010 ( 0.544 -1.052 -7.036) 7.135 6.956 ( -2.027 0.090 -1.728) 2.665 8.660 ( 0.176 0.019 -4.215) 4.219 9.162 ( 0.396 2.396 1.601) 2.909 9.282 ( 0.998 -4.464 1.970) 4.981 9.464 ( 2.307 0.340 10.379) 10.638 10.069 ( -6.974 4.402 -1.107) 8.320 10.469 ( 2.973 -2.925 -4.020) 5.792 13.347 ( -4.267 4.098 3.150) 6.703 13.716 ( 0.704 -5.921 4.443) 7.436 16.270 ( 5.355 -0.491 8.702) 10.230 16.912 ( -7.281 4.899 -4.263) 9.756 17.192 ( 0.341 0.159 -0.526) 0.647 17.489 ( 4.943 -2.925 -13.230) 14.423 ======================= Grid point 253 (58/116) ======================= q-point: ( 0.30 0.30 0.20) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.413 3.757 13.015) 13.553 1.636 ( 1.342 -3.259 3.313) 4.837 1.673 ( -3.013 -2.480 2.854) 4.835 2.121 ( 2.616 16.632 1.573) 16.910 2.301 ( 8.779 -7.133 2.355) 11.554 2.419 ( -8.342 -3.485 -0.322) 9.047 2.688 ( 2.690 3.296 -0.444) 4.277 2.785 ( -2.262 -2.780 0.056) 3.585 3.047 ( 8.038 6.002 -0.513) 10.045 3.140 ( -4.241 1.900 -0.178) 4.650 3.225 ( -3.254 -7.461 -5.344) 9.738 3.493 ( 0.202 0.464 3.178) 3.218 5.950 ( 0.778 1.200 -7.029) 7.173 5.986 ( -0.746 -1.145 -7.049) 7.180 6.982 ( 0.412 0.711 -1.858) 2.032 8.660 ( 0.015 0.078 -4.178) 4.179 9.180 ( 0.393 1.123 1.741) 2.108 9.230 ( -0.931 -2.092 1.914) 2.984 9.437 ( -0.410 -0.837 10.296) 10.338 10.222 ( 4.079 6.164 -1.795) 7.606 10.375 ( -3.167 -4.428 -2.971) 6.202 13.469 ( 3.417 5.757 3.488) 7.549 13.626 ( -2.947 -4.520 4.172) 6.821 16.206 ( -0.958 -1.467 8.176) 8.361 17.093 ( 4.772 9.491 -6.869) 12.650 17.189 ( 0.067 -0.204 -0.541) 0.583 17.342 ( -4.319 -8.899 -10.358) 14.323 ======================= Grid point 327 (59/116) ======================= q-point: ( 0.00 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 -0.000 15.046) 15.046 0.959 ( 0.000 0.000 15.046) 15.046 1.715 ( 0.000 0.000 20.358) 20.358 2.128 ( 0.000 -0.000 -4.724) 4.724 2.128 ( 0.000 -0.000 -4.724) 4.724 2.135 ( 0.000 0.000 6.049) 6.049 2.847 ( 0.000 0.000 -0.884) 0.884 2.847 ( 0.000 -0.000 -0.884) 0.884 3.129 ( 0.000 0.000 3.559) 3.559 3.144 ( 0.000 0.000 -7.348) 7.348 3.150 ( 0.000 0.000 -0.203) 0.203 3.150 ( 0.000 0.000 -0.203) 0.203 5.818 ( 0.000 0.000 -6.982) 6.982 5.818 ( 0.000 0.000 -6.982) 6.982 6.719 ( -0.000 0.000 -1.374) 1.374 8.882 ( 0.000 0.000 -4.795) 4.795 9.273 ( 0.000 -0.000 1.581) 1.581 9.273 ( 0.000 0.000 1.581) 1.581 9.785 ( 0.000 -0.000 -0.412) 0.412 9.785 ( -0.000 0.000 -0.412) 0.412 10.020 ( 0.000 0.000 3.735) 3.735 13.289 ( 0.000 -0.000 2.744) 2.744 13.289 ( -0.000 0.000 2.744) 2.744 16.638 ( 0.000 0.000 -2.265) 2.265 16.638 ( -0.000 0.000 -2.265) 2.265 17.224 ( 0.000 0.000 0.030) 0.030 17.756 ( 0.000 0.000 -2.171) 2.171 ======================= Grid point 328 (60/116) ======================= q-point: ( 0.10 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 1.042 0.601 13.794) 13.846 1.154 ( 9.706 5.604 14.715) 18.497 1.748 ( 3.164 1.827 14.767) 15.212 2.084 ( -0.491 -0.283 3.302) 3.351 2.173 ( 3.367 1.944 -0.213) 3.894 2.199 ( 3.444 1.988 -3.553) 5.333 2.832 ( 0.210 0.121 0.691) 0.732 2.883 ( 0.886 0.511 -1.375) 1.714 2.902 ( -10.939 -6.315 0.437) 12.638 3.044 ( -3.434 -1.983 1.531) 4.250 3.221 ( 4.253 2.455 2.193) 5.378 3.349 ( 5.891 3.401 -8.485) 10.875 5.814 ( -0.454 -0.262 -7.031) 7.050 5.822 ( 0.524 0.302 -6.905) 6.931 6.737 ( 1.549 0.894 -1.395) 2.268 8.800 ( -5.767 -3.329 -3.373) 7.465 9.254 ( -1.341 -0.774 1.612) 2.235 9.291 ( 1.508 0.871 1.446) 2.263 9.798 ( 0.863 0.498 -0.460) 1.097 9.837 ( 2.781 1.606 3.378) 4.661 10.061 ( 3.792 2.189 -1.363) 4.586 13.277 ( -0.532 -0.307 2.904) 2.968 13.366 ( 5.704 3.293 2.658) 7.102 16.646 ( 0.354 0.204 -2.367) 2.402 16.666 ( 2.135 1.233 -1.336) 2.804 17.221 ( -0.241 -0.139 -0.082) 0.290 17.666 ( -6.806 -3.930 -3.027) 8.422 ======================= Grid point 329 (61/116) ======================= q-point: ( 0.20 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 5.880 3.395 10.020) 12.104 1.315 ( 4.289 2.476 15.794) 16.553 1.825 ( 1.447 0.835 0.973) 1.933 2.166 ( 9.154 5.285 10.918) 15.196 2.278 ( 3.804 2.196 -1.998) 4.825 2.278 ( 4.366 2.521 -2.056) 5.445 2.660 ( -8.379 -4.837 4.583) 10.706 2.857 ( -3.216 -1.857 1.004) 3.846 2.868 ( 1.743 1.006 1.280) 2.385 3.016 ( 0.975 0.563 -1.123) 1.590 3.324 ( 4.618 2.666 2.491) 5.885 3.409 ( -0.544 -0.314 -10.939) 10.957 5.798 ( -0.945 -0.545 -7.092) 7.176 5.840 ( 0.969 0.559 -6.800) 6.892 6.786 ( 2.571 1.485 -1.454) 3.306 8.677 ( -4.425 -2.555 -2.302) 5.604 9.216 ( -1.869 -1.079 1.608) 2.691 9.338 ( 2.522 1.456 1.318) 3.196 9.821 ( 1.118 0.645 -0.507) 1.386 9.857 ( -0.962 -0.555 7.406) 7.489 10.181 ( 5.855 3.380 -5.939) 8.999 13.267 ( -0.346 -0.200 3.096) 3.121 13.527 ( 8.088 4.670 3.241) 9.886 16.653 ( 0.233 0.134 -2.495) 2.510 16.689 ( -1.184 -0.683 3.066) 3.357 17.213 ( -0.441 -0.255 -0.290) 0.586 17.508 ( -5.760 -3.325 -7.887) 10.317 ======================= Grid point 330 (62/116) ======================= q-point: ( 0.30 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 8.203 4.736 5.578) 10.992 1.392 ( 3.460 1.998 12.599) 13.217 1.808 ( -1.828 -1.055 -0.942) 2.311 2.292 ( -4.625 -2.670 3.779) 6.542 2.336 ( 1.333 0.770 0.284) 1.566 2.435 ( 11.355 6.556 6.677) 14.714 2.617 ( 6.068 3.503 2.468) 7.429 2.770 ( -3.861 -2.229 2.848) 5.290 2.908 ( 1.793 1.035 2.033) 2.902 3.055 ( 2.023 1.168 -3.407) 4.132 3.334 ( -5.843 -3.374 -10.752) 12.694 3.425 ( 4.118 2.378 2.862) 5.550 5.774 ( -1.123 -0.648 -7.157) 7.274 5.863 ( 1.002 0.579 -6.760) 6.859 6.847 ( 2.649 1.529 -1.529) 3.419 8.606 ( -1.947 -1.124 -2.377) 3.272 9.175 ( -1.686 -0.973 1.578) 2.506 9.400 ( 2.784 1.607 1.465) 3.533 9.809 ( -2.942 -1.698 7.198) 7.960 9.845 ( 0.942 0.544 -0.549) 1.219 10.303 ( 4.723 2.727 -5.022) 7.414 13.262 ( -0.031 -0.018 3.247) 3.248 13.719 ( 8.363 4.829 4.030) 10.464 16.601 ( -5.855 -3.380 7.521) 10.113 16.656 ( 0.016 0.009 -2.600) 2.600 17.201 ( -0.590 -0.341 -0.333) 0.759 17.430 ( -1.509 -0.871 -13.180) 13.294 ======================= Grid point 331 (63/116) ======================= q-point: ( 0.40 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 8.495 4.905 1.576) 9.935 1.494 ( 5.559 3.210 7.523) 9.889 1.773 ( -0.907 -0.524 0.378) 1.114 2.146 ( -6.961 -4.019 7.391) 10.919 2.321 ( -2.871 -1.658 3.421) 4.764 2.630 ( 6.344 3.663 3.636) 8.178 2.698 ( -2.249 -1.299 3.126) 4.064 2.806 ( 5.833 3.368 0.757) 6.778 2.970 ( 5.110 2.950 0.521) 5.923 3.099 ( 1.780 1.028 -4.525) 4.970 3.160 ( -8.797 -5.079 -7.662) 12.723 3.503 ( 2.597 1.499 3.138) 4.341 5.750 ( -0.837 -0.483 -7.204) 7.269 5.883 ( 0.658 0.380 -6.813) 6.855 6.898 ( 1.672 0.965 -1.589) 2.500 8.581 ( -0.459 -0.265 -2.669) 2.721 9.144 ( -0.915 -0.528 1.533) 1.862 9.461 ( 2.445 1.412 1.702) 3.297 9.732 ( -3.634 -2.098 6.619) 7.837 9.862 ( 0.477 0.275 -0.572) 0.794 10.395 ( 3.266 1.886 -3.694) 5.279 13.266 ( 0.305 0.176 3.300) 3.318 13.890 ( 6.166 3.560 4.249) 8.291 16.472 ( -4.344 -2.508 8.076) 9.507 16.654 ( -0.206 -0.119 -2.640) 2.651 17.189 ( -0.469 -0.271 -0.427) 0.690 17.407 ( -1.110 -0.641 -14.089) 14.148 ======================= Grid point 332 (64/116) ======================= q-point: (-0.50 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 6.969 4.024 -1.532) 8.192 1.644 ( 7.394 4.269 3.230) 9.129 1.763 ( -0.527 -0.304 2.123) 2.208 1.998 ( -5.363 -3.097 8.977) 10.906 2.210 ( -6.421 -3.707 6.290) 9.723 2.666 ( -0.772 -0.446 2.904) 3.038 2.743 ( 3.575 2.064 4.201) 5.890 2.783 ( -7.693 -4.442 -2.754) 9.300 2.965 ( -4.802 -2.772 -2.574) 6.113 3.134 ( 1.227 0.708 -4.589) 4.803 3.159 ( 7.835 4.524 -1.863) 9.237 3.537 ( 0.256 0.148 3.135) 3.149 5.739 ( -0.153 -0.088 -7.202) 7.204 5.891 ( 0.088 0.051 -6.901) 6.902 6.918 ( -0.009 -0.005 -1.608) 1.608 8.578 ( 0.193 0.111 -2.836) 2.845 9.135 ( 0.173 0.100 1.486) 1.500 9.498 ( 0.184 0.106 1.145) 1.165 9.663 ( -1.607 -0.928 7.382) 7.612 9.866 ( -0.121 -0.070 -0.558) 0.575 10.450 ( 1.481 0.855 -3.455) 3.855 13.275 ( 0.533 0.308 3.230) 3.288 13.976 ( 1.008 0.582 3.785) 3.959 16.439 ( 1.935 1.117 7.906) 8.215 16.647 ( -0.343 -0.198 -2.602) 2.632 17.180 ( -0.267 -0.154 -0.661) 0.729 17.366 ( -2.569 -1.483 -13.468) 13.790 ======================= Grid point 334 (65/116) ======================= q-point: (-0.40 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 1.704 0.984 -1.598) 2.535 1.681 ( -6.787 -3.918 4.228) 8.905 1.818 ( 6.533 3.772 1.021) 7.612 1.964 ( 3.309 1.910 8.971) 9.751 2.062 ( -5.492 -3.171 5.976) 8.713 2.523 ( -13.040 -7.529 -0.605) 15.070 2.659 ( 0.190 0.110 3.010) 3.018 2.768 ( -2.101 -1.213 4.614) 5.212 2.929 ( 1.090 0.630 0.282) 1.290 3.152 ( 0.228 0.131 -3.724) 3.734 3.306 ( 4.757 2.747 -6.229) 8.305 3.515 ( -2.108 -1.217 2.776) 3.692 5.744 ( 0.595 0.344 -7.138) 7.171 5.886 ( -0.505 -0.291 -6.954) 6.979 6.898 ( -1.681 -0.971 -1.580) 2.503 8.588 ( 0.728 0.421 -2.821) 2.944 9.151 ( 1.200 0.693 1.453) 2.008 9.455 ( -3.275 -1.891 1.111) 3.941 9.678 ( 2.326 1.343 8.001) 8.440 9.857 ( -0.688 -0.397 -0.505) 0.941 10.456 ( -1.032 -0.596 -4.329) 4.490 13.288 ( 0.554 0.320 3.065) 3.131 13.927 ( -5.175 -2.988 2.953) 6.666 16.562 ( 8.314 4.800 8.889) 13.084 16.639 ( -0.345 -0.199 -2.502) 2.533 17.176 ( -0.110 -0.064 -1.730) 1.734 17.296 ( -3.209 -1.853 -12.651) 13.183 ======================= Grid point 335 (66/116) ======================= q-point: (-0.30 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -10.534 -6.082 6.019) 13.571 1.573 ( -7.698 -4.445 5.664) 10.540 1.914 ( 1.830 1.056 2.148) 3.013 2.007 ( 0.419 0.242 -1.126) 1.226 2.100 ( 4.104 2.369 9.586) 10.693 2.267 ( -5.439 -3.140 2.609) 6.801 2.673 ( -5.209 -3.008 3.112) 6.773 2.678 ( 1.555 0.898 2.949) 3.453 2.971 ( 1.626 0.939 1.384) 2.333 3.143 ( -0.931 -0.538 -2.214) 2.461 3.376 ( 1.579 0.912 -9.563) 9.735 3.447 ( -3.695 -2.133 2.091) 4.751 5.763 ( 1.040 0.601 -7.048) 7.150 5.870 ( -0.907 -0.524 -6.957) 7.035 6.847 ( -2.644 -1.526 -1.518) 3.409 8.617 ( 1.949 1.125 -2.623) 3.456 9.187 ( 1.815 1.048 1.446) 2.547 9.377 ( -3.317 -1.915 1.472) 4.103 9.743 ( 3.062 1.768 8.136) 8.871 9.836 ( -1.059 -0.612 -0.435) 1.298 10.397 ( -4.316 -2.492 -5.778) 7.630 13.299 ( 0.352 0.203 2.870) 2.898 13.757 ( -9.233 -5.331 2.255) 10.897 16.632 ( -0.220 -0.127 -2.377) 2.390 16.759 ( 6.594 3.807 9.307) 12.024 17.188 ( 1.994 1.152 -3.086) 3.851 17.248 ( 0.007 0.004 -10.907) 10.907 ======================= Grid point 336 (67/116) ======================= q-point: (-0.20 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -11.723 -6.768 8.508) 15.988 1.354 ( -10.504 -6.064 10.807) 16.245 1.862 ( -5.835 -3.369 9.964) 12.028 2.037 ( 1.655 0.956 -4.868) 5.230 2.079 ( 0.532 0.307 8.937) 8.958 2.328 ( 0.681 0.393 -1.142) 1.387 2.622 ( 4.372 2.524 4.194) 6.563 2.729 ( 2.748 1.587 2.077) 3.792 2.978 ( -1.294 -0.747 0.440) 1.558 3.116 ( -1.262 -0.729 -0.355) 1.500 3.353 ( -4.395 -2.538 1.310) 5.241 3.382 ( -1.115 -0.643 -10.592) 10.670 5.788 ( 1.042 0.602 -6.982) 7.085 5.848 ( -0.979 -0.565 -6.954) 7.046 6.785 ( -2.562 -1.479 -1.448) 3.294 8.686 ( 4.202 2.426 -2.537) 5.475 9.229 ( 1.789 1.033 1.471) 2.536 9.312 ( -2.240 -1.293 1.612) 3.048 9.806 ( 2.237 1.291 7.669) 8.092 9.811 ( -1.076 -0.621 -0.384) 1.300 10.259 ( -7.572 -4.372 -6.381) 10.824 13.303 ( 0.013 0.007 2.721) 2.721 13.535 ( -9.601 -5.543 2.124) 11.287 16.630 ( -0.018 -0.010 -2.273) 2.273 16.785 ( -3.228 -1.864 1.672) 4.085 17.216 ( 0.295 0.170 -0.344) 0.484 17.398 ( 11.573 6.682 -5.585) 14.483 ======================= Grid point 337 (68/116) ======================= q-point: (-0.10 0.00 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -7.014 -4.050 12.945) 15.270 1.124 ( -9.151 -5.284 13.674) 17.281 1.749 ( -3.257 -1.881 17.380) 17.783 2.077 ( 1.910 1.103 -5.371) 5.806 2.112 ( 1.486 0.858 6.331) 6.559 2.238 ( -5.702 -3.292 -2.908) 7.197 2.794 ( 2.738 1.581 0.498) 3.201 2.851 ( 11.707 6.759 1.422) 13.593 2.923 ( -2.074 -1.198 -0.597) 2.469 3.100 ( 0.251 0.145 1.463) 1.491 3.250 ( -4.649 -2.684 0.805) 5.428 3.315 ( -5.034 -2.907 -8.486) 10.286 5.808 ( 0.690 0.398 -6.961) 7.006 5.828 ( -0.705 -0.407 -6.981) 7.028 6.737 ( -1.545 -0.892 -1.394) 2.264 8.803 ( 5.530 3.193 -3.476) 7.271 9.263 ( 1.039 0.600 1.523) 1.939 9.278 ( -0.783 -0.452 1.642) 1.874 9.791 ( -0.625 -0.361 -0.378) 0.815 9.826 ( -1.054 -0.608 3.962) 4.145 10.085 ( -6.272 -3.621 -2.087) 7.537 13.299 ( -0.322 -0.186 2.674) 2.700 13.352 ( -5.846 -3.375 2.558) 7.219 16.632 ( 0.192 0.111 -2.230) 2.241 16.690 ( -3.921 -2.264 -1.820) 4.880 17.221 ( 0.208 0.120 -0.089) 0.256 17.650 ( 8.895 5.136 -2.428) 10.554 ======================= Grid point 339 (69/116) ======================= q-point: ( 0.10 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -1.758 12.683 9.930) 16.203 1.292 ( 4.135 7.944 14.435) 16.987 1.813 ( 1.680 4.005 6.789) 8.060 2.084 ( 4.210 1.285 6.800) 8.100 2.155 ( 6.428 -1.665 -0.777) 6.685 2.302 ( 0.361 4.568 -1.884) 4.955 2.679 ( -3.743 -10.862 4.048) 12.181 2.796 ( 3.525 -3.042 1.245) 4.820 2.928 ( -3.243 2.034 0.177) 3.832 3.071 ( -2.827 3.041 -0.088) 4.152 3.308 ( 1.593 5.276 1.607) 5.740 3.392 ( 2.056 0.637 -10.238) 10.462 5.800 ( -0.042 -0.945 -7.007) 7.071 5.837 ( 0.115 0.921 -6.907) 6.969 6.771 ( 1.380 2.378 -1.435) 3.101 8.710 ( -3.119 -4.802 -2.538) 6.263 9.247 ( -1.374 -0.324 1.426) 2.006 9.295 ( 1.771 0.001 1.598) 2.385 9.804 ( 0.315 -0.427 1.919) 1.991 9.849 ( 2.125 0.066 4.716) 5.173 10.178 ( 1.329 8.181 -5.747) 10.085 13.293 ( -1.027 1.327 2.770) 3.239 13.471 ( 4.456 7.493 2.727) 9.135 16.638 ( 0.703 -0.414 -1.903) 2.070 16.730 ( -1.164 3.891 0.375) 4.079 17.216 ( -0.247 -0.301 -0.270) 0.474 17.508 ( -2.485 -11.047 -5.129) 12.431 ======================= Grid point 340 (70/116) ======================= q-point: ( 0.20 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 1.040 14.929 6.118) 16.168 1.388 ( 0.923 4.937 14.280) 15.137 1.825 ( -1.530 -0.932 -0.842) 1.980 2.249 ( 3.606 -4.754 5.012) 7.792 2.270 ( 8.910 2.207 0.939) 9.227 2.342 ( 5.925 4.567 2.827) 7.997 2.570 ( -0.503 -1.684 3.931) 4.306 2.848 ( 4.675 -1.280 1.960) 5.229 2.857 ( -5.823 0.982 1.994) 6.233 3.079 ( -0.955 3.835 -1.600) 4.264 3.368 ( -2.032 -2.626 -10.085) 10.618 3.402 ( 2.188 3.802 1.300) 4.575 5.786 ( -0.710 -0.560 -7.099) 7.157 5.851 ( 0.713 0.476 -6.810) 6.863 6.826 ( 2.088 2.452 -1.513) 3.558 8.628 ( -2.252 -2.128 -2.349) 3.888 9.210 ( -2.628 0.262 1.488) 3.032 9.337 ( 3.716 -1.268 1.447) 4.185 9.782 ( -0.507 -3.420 5.861) 6.805 9.895 ( 0.739 3.574 1.421) 3.917 10.275 ( 2.193 5.091 -5.856) 8.064 13.294 ( -1.226 2.710 2.933) 4.178 13.632 ( 6.514 5.573 3.625) 9.307 16.627 ( -1.614 -2.575 2.229) 3.768 16.709 ( -3.605 2.210 1.376) 4.447 17.207 ( -0.486 -0.440 -0.316) 0.728 17.399 ( 0.562 -6.829 -11.268) 13.188 ======================= Grid point 341 (71/116) ======================= q-point: ( 0.30 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 1.651 13.791 4.026) 14.461 1.466 ( 3.100 5.918 8.659) 10.937 1.782 ( -1.329 -1.388 -0.139) 1.927 2.144 ( -2.722 -9.909 6.755) 12.297 2.381 ( 0.885 2.936 -0.252) 3.076 2.538 ( 5.270 2.563 5.519) 8.050 2.651 ( 9.959 -0.126 0.843) 9.995 2.780 ( -3.458 2.750 2.969) 5.323 2.919 ( 3.863 0.845 1.846) 4.364 3.100 ( -0.158 2.049 -2.450) 3.198 3.249 ( -6.524 -4.323 -9.925) 12.639 3.483 ( 2.364 3.092 2.962) 4.891 5.767 ( -1.131 0.057 -7.166) 7.255 5.868 ( 1.000 -0.135 -6.807) 6.881 6.882 ( 1.793 1.942 -1.601) 3.090 8.589 ( -0.922 -0.499 -2.588) 2.792 9.170 ( -2.215 0.453 1.523) 2.726 9.390 ( 4.345 -2.352 1.453) 5.150 9.727 ( -1.276 -4.108 6.827) 8.069 9.935 ( -1.874 6.090 -0.191) 6.375 10.353 ( 2.984 1.745 -4.293) 5.511 13.303 ( -1.683 3.984 3.133) 5.340 13.792 ( 7.377 2.140 4.216) 8.762 16.519 ( -4.933 -4.433 7.855) 10.280 16.695 ( -2.042 3.798 -2.683) 5.079 17.193 ( -0.476 -0.426 -0.374) 0.740 17.372 ( 1.891 -4.667 -13.665) 14.563 ======================= Grid point 342 (72/116) ======================= q-point: ( 0.40 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.246 7.078 3.402) 8.498 1.622 ( 4.176 11.117 1.383) 11.956 1.765 ( 0.009 0.058 1.692) 1.693 2.000 ( -2.807 -8.923 8.724) 12.791 2.335 ( -8.116 1.307 4.311) 9.283 2.635 ( 4.603 -1.323 3.879) 6.163 2.695 ( 1.301 -1.815 0.184) 2.241 2.830 ( 0.450 0.657 1.054) 1.321 3.010 ( -0.042 -1.995 -6.227) 6.539 3.061 ( 1.078 -0.028 -0.149) 1.088 3.160 ( -0.866 2.813 -3.296) 4.419 3.534 ( 0.926 1.448 3.151) 3.589 5.752 ( -0.968 0.659 -7.187) 7.282 5.880 ( 0.812 -0.642 -6.877) 6.955 6.918 ( 0.543 1.010 -1.657) 2.014 8.580 ( -0.168 0.157 -2.795) 2.805 9.148 ( -1.093 0.887 1.516) 2.069 9.431 ( 3.850 -4.017 1.299) 5.714 9.669 ( -1.207 -2.649 7.339) 7.895 9.949 ( -3.846 6.658 -0.842) 7.735 10.411 ( 2.993 -0.453 -3.334) 4.503 13.314 ( -2.001 4.558 3.246) 5.943 13.908 ( 5.483 -1.936 4.090) 7.109 16.427 ( -1.176 -2.027 7.937) 8.276 16.700 ( -2.510 4.880 -3.296) 6.401 17.183 ( -0.322 -0.309 -0.534) 0.696 17.349 ( 0.746 -4.932 -13.188) 14.100 ======================= Grid point 343 (73/116) ======================= q-point: (-0.50 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 3.847 3.959 -0.223) 5.524 1.730 ( -2.634 -2.398 2.978) 4.643 1.805 ( 2.041 9.495 2.003) 9.916 1.915 ( 1.686 -2.583 8.033) 8.605 2.166 ( -9.437 -2.518 5.474) 11.196 2.612 ( -4.119 -3.796 0.064) 5.601 2.706 ( -2.147 -2.905 2.372) 4.322 2.793 ( -2.129 2.986 2.105) 4.229 2.913 ( -0.986 -2.524 -0.382) 2.737 3.149 ( 0.938 0.706 -4.388) 4.542 3.227 ( 5.939 1.764 -3.137) 6.945 3.540 ( -1.235 0.103 3.004) 3.249 5.749 ( -0.360 1.065 -7.153) 7.241 5.882 ( 0.314 -0.945 -6.945) 7.016 6.918 ( -1.160 0.031 -1.652) 2.019 8.583 ( 0.272 0.296 -2.858) 2.886 9.152 ( 0.117 1.594 1.466) 2.169 9.427 ( 1.249 -5.830 1.135) 6.070 9.653 ( 1.215 0.022 7.891) 7.984 9.936 ( -4.619 5.714 -0.812) 7.393 10.440 ( 1.506 -1.855 -3.638) 4.353 13.323 ( -2.035 4.177 3.177) 5.628 13.926 ( 0.532 -5.354 3.520) 6.429 16.454 ( 5.265 0.117 7.879) 9.477 16.707 ( -2.778 5.870 -2.936) 7.128 17.176 ( -0.125 -0.291 -1.155) 1.198 17.301 ( -0.681 -4.485 -12.416) 13.219 ======================= Grid point 344 (74/116) ======================= q-point: (-0.40 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -7.806 -5.007 6.802) 11.501 1.652 ( -5.364 -1.700 0.883) 5.696 1.858 ( 0.500 -3.039 3.498) 4.661 1.994 ( 5.350 3.469 5.843) 8.649 2.086 ( 0.720 6.220 0.868) 6.322 2.423 ( -12.282 -1.179 2.560) 12.601 2.652 ( -1.126 -2.375 3.660) 4.506 2.770 ( -4.225 2.493 3.161) 5.836 2.926 ( 3.037 -1.209 1.073) 3.440 3.150 ( -0.392 -0.500 -2.473) 2.553 3.326 ( 4.509 -0.480 -8.296) 9.454 3.496 ( -3.426 -0.777 2.573) 4.355 5.760 ( 0.324 1.122 -7.082) 7.178 5.873 ( -0.257 -0.973 -6.957) 7.029 6.882 ( -2.583 -0.572 -1.592) 3.088 8.597 ( 1.104 0.326 -2.739) 2.971 9.181 ( 0.939 2.267 1.383) 2.817 9.373 ( -0.669 -5.151 1.478) 5.401 9.699 ( 3.164 0.827 7.871) 8.524 9.907 ( -4.480 4.188 -0.427) 6.148 10.418 ( -1.371 -3.052 -4.854) 5.895 13.325 ( -1.799 2.814 2.963) 4.465 13.825 ( -5.077 -6.430 2.949) 8.707 16.571 ( 6.837 -1.039 5.488) 8.828 16.734 ( 0.046 5.419 1.034) 5.517 17.177 ( 0.576 0.482 -3.065) 3.156 17.254 ( -0.738 -1.503 -11.307) 11.431 ======================= Grid point 345 (75/116) ======================= q-point: (-0.30 0.10 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -13.010 -7.574 5.257) 15.946 1.464 ( -7.872 -5.857 11.914) 15.434 1.858 ( 1.605 -3.147 0.799) 3.622 2.101 ( 0.077 7.611 -1.209) 7.707 2.160 ( -6.487 4.288 9.563) 12.326 2.288 ( 1.847 2.880 1.349) 3.677 2.596 ( -1.072 -2.897 3.473) 4.648 2.750 ( -1.527 4.683 2.478) 5.514 2.949 ( 1.861 -3.225 1.330) 3.953 3.126 ( -1.454 -1.536 -1.053) 2.362 3.376 ( 1.912 -0.440 -10.740) 10.918 3.414 ( -4.626 -1.201 1.837) 5.120 5.779 ( 0.761 0.845 -7.024) 7.116 5.856 ( -0.690 -0.727 -6.926) 6.998 6.826 ( -3.165 -0.565 -1.508) 3.551 8.634 ( 3.008 0.365 -2.488) 3.921 9.222 ( 1.145 2.029 1.292) 2.664 9.317 ( -0.994 -2.840 1.700) 3.456 9.764 ( 3.167 0.722 7.118) 7.824 9.870 ( -3.632 2.761 0.492) 4.589 10.329 ( -5.099 -3.918 -6.159) 8.904 13.315 ( -1.308 0.614 2.755) 3.111 13.648 ( -8.643 -4.420 2.695) 10.075 16.627 ( 1.194 -0.080 -0.444) 1.276 16.780 ( 1.085 -2.035 4.414) 4.981 17.208 ( 0.928 0.237 -0.217) 0.982 17.298 ( 6.073 5.220 -10.944) 13.562 ======================= Grid point 350 (76/116) ======================= q-point: ( 0.20 0.20 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.546 7.521 9.262) 11.944 1.530 ( -1.532 16.586 3.943) 17.117 1.797 ( -2.367 -1.248 0.301) 2.693 2.077 ( -0.969 -9.733 6.798) 11.911 2.265 ( 9.829 -2.926 -2.998) 10.685 2.473 ( 10.303 6.996 4.194) 13.141 2.584 ( -2.504 2.283 4.102) 5.320 2.845 ( 5.482 0.913 2.407) 6.056 2.873 ( -4.633 0.209 1.774) 4.965 3.130 ( -0.930 1.275 -1.061) 1.902 3.300 ( -4.180 -3.430 -10.283) 11.618 3.483 ( 1.648 3.729 2.704) 4.892 5.777 ( 0.144 -0.308 -7.087) 7.095 5.858 ( -0.115 0.205 -6.893) 6.897 6.876 ( 1.470 2.528 -1.618) 3.342 8.598 ( -0.804 -0.928 -2.631) 2.904 9.214 ( -1.090 -0.305 1.261) 1.695 9.311 ( 0.814 -0.664 1.703) 2.001 9.713 ( -1.230 -3.350 7.474) 8.282 9.973 ( 3.878 4.028 -0.204) 5.595 10.357 ( -1.036 2.880 -4.949) 5.819 13.358 ( 1.149 3.384 2.832) 4.560 13.735 ( 1.514 4.552 3.767) 6.099 16.550 ( -4.266 -5.043 6.573) 9.319 16.766 ( -0.637 3.299 -1.320) 3.610 17.194 ( -0.105 -0.949 -0.533) 1.094 17.276 ( 2.230 -4.778 -13.047) 14.072 ======================= Grid point 351 (77/116) ======================= q-point: ( 0.30 0.20 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.635 6.316 8.748) 10.808 1.693 ( 1.649 8.234 -1.468) 8.525 1.788 ( -0.019 8.062 1.591) 8.218 1.952 ( -2.504 -8.577 8.723) 12.487 2.410 ( 7.566 -1.793 -2.975) 8.325 2.534 ( -3.235 -1.346 6.559) 7.436 2.648 ( 3.989 0.403 0.806) 4.089 2.826 ( -0.594 0.349 1.199) 1.383 2.945 ( 4.844 1.398 -1.243) 5.192 3.104 ( -3.315 -0.302 -1.341) 3.589 3.208 ( -2.670 -0.292 -4.861) 5.554 3.535 ( 0.993 2.032 3.048) 3.796 5.777 ( -0.600 0.887 -7.130) 7.210 5.858 ( 0.541 -0.889 -6.907) 6.984 6.919 ( 0.919 1.624 -1.730) 2.545 8.585 ( -0.289 0.015 -2.794) 2.809 9.188 ( -2.036 1.243 1.473) 2.803 9.327 ( 3.019 -3.483 1.495) 4.846 9.662 ( -1.088 -2.499 7.640) 8.112 10.062 ( -0.066 6.580 -1.062) 6.666 10.361 ( 0.861 -1.015 -3.539) 3.781 13.409 ( -1.238 6.519 3.087) 7.319 13.791 ( 3.852 -2.296 4.127) 6.095 16.435 ( -2.968 -3.848 8.001) 9.362 16.803 ( -1.508 6.875 -4.297) 8.247 17.185 ( -0.225 -0.409 -0.445) 0.645 17.258 ( 2.084 -6.594 -12.299) 14.110 ======================= Grid point 352 (78/116) ======================= q-point: ( 0.40 0.20 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 1.650 4.965 4.095) 6.644 1.732 ( 0.090 -1.232 2.278) 2.591 1.840 ( -0.401 -5.846 10.282) 11.834 1.942 ( 0.145 16.254 -1.751) 16.349 2.312 ( -10.992 -4.491 2.939) 12.232 2.588 ( 8.844 -4.786 2.748) 10.425 2.654 ( -2.485 0.724 0.029) 2.588 2.827 ( 1.063 -1.777 0.355) 2.101 2.954 ( -4.181 -1.087 -4.815) 6.469 3.113 ( 3.255 3.070 -1.064) 4.599 3.193 ( 0.043 0.260 -0.242) 0.358 3.555 ( -0.186 0.622 3.119) 3.186 5.775 ( -0.997 1.524 -7.120) 7.349 5.859 ( 0.913 -1.429 -6.960) 7.163 6.935 ( -0.381 0.651 -1.777) 1.931 8.584 ( -0.047 0.233 -2.875) 2.885 9.178 ( -0.996 2.104 1.526) 2.783 9.335 ( 2.590 -4.977 1.413) 5.786 9.636 ( 0.275 -0.856 7.816) 7.867 10.087 ( -4.784 6.892 -1.457) 8.515 10.374 ( 2.971 -3.185 -2.995) 5.286 13.434 ( -3.968 7.188 3.299) 8.849 13.819 ( 4.300 -6.580 3.853) 8.754 16.394 ( 1.280 -1.303 7.902) 8.110 16.835 ( -3.753 8.112 -5.125) 10.303 17.175 ( -0.300 -0.782 -1.509) 1.725 17.228 ( 2.534 -6.563 -10.372) 12.533 ======================= Grid point 354 (79/116) ======================= q-point: (-0.50 0.20 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -4.691 -4.898 7.929) 10.434 1.688 ( 1.102 1.866 -0.195) 2.176 1.866 ( 0.632 -0.621 6.052) 6.116 1.967 ( -5.711 -2.262 4.048) 7.356 2.178 ( -1.526 9.866 -1.772) 10.139 2.589 ( -6.265 1.673 0.978) 6.558 2.632 ( 1.267 -4.790 4.846) 6.931 2.847 ( 2.006 0.286 -0.152) 2.032 2.883 ( -3.602 1.379 0.946) 3.971 3.146 ( 0.032 -1.243 -2.393) 2.697 3.235 ( 4.256 -0.584 -4.602) 6.296 3.539 ( -2.032 -0.172 2.951) 3.587 5.774 ( -0.595 1.144 -7.090) 7.206 5.860 ( 0.583 -1.032 -6.967) 7.067 6.919 ( -1.871 0.025 -1.728) 2.547 8.587 ( 0.263 0.075 -2.834) 2.847 9.194 ( 0.210 2.196 1.373) 2.598 9.319 ( 1.124 -4.045 1.598) 4.492 9.657 ( 2.330 0.231 7.826) 8.169 10.046 ( -6.189 4.366 -1.008) 7.641 10.386 ( 1.541 -3.033 -3.740) 5.056 13.414 ( -4.626 3.851 3.114) 6.777 13.803 ( 0.631 -5.420 3.711) 6.599 16.448 ( 5.674 -0.581 7.859) 9.710 16.823 ( -4.535 3.754 -3.836) 7.026 17.172 ( 0.652 0.335 -3.199) 3.282 17.225 ( 2.185 -2.093 -9.589) 10.055 ======================= Grid point 362 (80/116) ======================= q-point: ( 0.30 0.30 0.30) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -1.347 5.159 5.580) 7.718 1.698 ( 2.485 -1.357 2.739) 3.939 1.796 ( -2.004 -5.262 9.281) 10.855 2.116 ( 0.995 15.735 -1.127) 15.807 2.308 ( 9.775 -6.529 -2.318) 11.981 2.479 ( -8.740 -4.892 5.235) 11.302 2.690 ( 2.603 3.476 0.593) 4.383 2.788 ( -1.947 -3.144 0.184) 3.702 2.963 ( 1.677 0.724 -6.411) 6.666 3.137 ( -0.330 2.527 0.952) 2.720 3.190 ( -0.605 -1.769 0.307) 1.894 3.560 ( 0.270 0.561 3.124) 3.185 5.799 ( 0.770 1.213 -7.072) 7.217 5.836 ( -0.748 -1.189 -7.001) 7.141 6.942 ( 0.368 0.635 -1.840) 1.981 8.587 ( 0.012 0.062 -2.891) 2.892 9.215 ( 0.538 1.282 1.514) 2.056 9.268 ( -1.022 -2.158 1.601) 2.875 9.629 ( -0.435 -0.837 7.817) 7.874 10.184 ( 3.616 5.309 -1.781) 6.665 10.314 ( -2.612 -3.427 -2.733) 5.102 13.543 ( 3.620 6.270 3.378) 7.989 13.712 ( -3.087 -5.024 3.802) 7.016 16.379 ( -1.064 -1.617 7.911) 8.144 16.948 ( 3.176 6.891 -6.667) 10.101 17.124 ( -2.317 -6.247 -9.839) 11.883 17.179 ( -0.343 -0.234 -0.589) 0.721 ======================= Grid point 436 (81/116) ======================= q-point: ( 0.00 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 0.000 11.721) 11.721 1.245 ( -0.000 -0.000 11.721) 11.721 1.989 ( 0.000 0.000 6.061) 6.061 2.010 ( 0.000 -0.000 -6.130) 6.130 2.010 ( 0.000 0.000 -6.130) 6.130 2.357 ( 0.000 0.000 15.033) 15.033 2.840 ( 0.000 0.000 0.013) 0.013 2.840 ( 0.000 0.000 0.013) 0.013 2.956 ( 0.000 0.000 -10.875) 10.875 3.145 ( 0.000 0.000 -0.215) 0.215 3.145 ( -0.000 -0.000 -0.215) 0.215 3.191 ( 0.000 0.000 2.198) 2.198 5.694 ( 0.000 0.000 -4.466) 4.466 5.694 ( 0.000 0.000 -4.466) 4.466 6.695 ( 0.000 0.000 -0.872) 0.872 8.803 ( 0.000 0.000 -2.689) 2.689 9.299 ( 0.000 -0.000 0.922) 0.922 9.299 ( 0.000 0.000 0.922) 0.922 9.778 ( 0.000 -0.000 -0.248) 0.248 9.778 ( 0.000 -0.000 -0.248) 0.248 10.081 ( 0.000 0.000 2.005) 2.005 13.337 ( 0.000 -0.000 1.703) 1.703 13.337 ( -0.000 0.000 1.703) 1.703 16.598 ( -0.000 -0.000 -1.421) 1.421 16.598 ( 0.000 -0.000 -1.421) 1.421 17.226 ( 0.000 0.000 0.106) 0.106 17.717 ( 0.000 0.000 -1.419) 1.419 ======================= Grid point 437 (82/116) ======================= q-point: ( 0.10 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.403 -0.233 12.629) 12.637 1.421 ( 10.039 5.796 9.734) 15.137 1.877 ( -4.854 -2.802 -0.522) 5.629 2.095 ( 4.409 2.546 -6.320) 8.116 2.097 ( 5.496 3.173 0.305) 6.354 2.351 ( 0.035 0.020 13.764) 13.764 2.847 ( -5.346 -3.086 -4.916) 7.891 2.851 ( -0.013 -0.008 0.023) 0.028 2.858 ( 0.573 0.331 -0.982) 1.184 3.072 ( -3.301 -1.906 1.201) 3.996 3.210 ( 2.548 1.471 -4.708) 5.551 3.265 ( 4.378 2.528 1.731) 5.343 5.689 ( -0.519 -0.300 -4.551) 4.591 5.701 ( 0.629 0.363 -4.362) 4.422 6.713 ( 1.516 0.875 -0.886) 1.962 8.743 ( -4.473 -2.583 -2.029) 5.549 9.282 ( -1.302 -0.752 1.021) 1.818 9.314 ( 1.269 0.733 0.727) 1.636 9.789 ( 0.806 0.465 -0.339) 0.990 9.867 ( 6.675 3.854 0.216) 7.711 10.068 ( -1.067 -0.616 1.078) 1.638 13.330 ( -0.302 -0.174 2.018) 2.048 13.409 ( 5.674 3.276 1.390) 6.698 16.603 ( 0.203 0.117 -1.625) 1.642 16.637 ( 3.292 1.901 -1.150) 3.972 17.221 ( -0.374 -0.216 0.067) 0.437 17.620 ( -7.975 -4.604 -1.516) 9.333 ======================= Grid point 438 (83/116) ======================= q-point: ( 0.20 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 2.667 1.540 11.140) 11.558 1.613 ( 4.962 2.865 11.561) 12.903 1.790 ( -2.381 -1.375 -3.031) 4.093 2.204 ( 4.977 2.873 -5.313) 7.826 2.231 ( 5.593 3.229 -1.137) 6.557 2.405 ( 5.809 3.354 10.100) 12.125 2.691 ( -5.967 -3.445 -1.577) 7.069 2.855 ( -1.054 -0.608 -1.024) 1.590 2.902 ( 2.501 1.444 1.867) 3.439 3.017 ( -1.417 -0.818 1.147) 1.998 3.226 ( -1.211 -0.699 -6.456) 6.606 3.371 ( 4.823 2.784 1.829) 5.861 5.672 ( -1.002 -0.579 -4.623) 4.766 5.721 ( 1.049 0.606 -4.267) 4.436 6.760 ( 2.516 1.453 -0.923) 3.048 8.639 ( -4.049 -2.338 -1.305) 4.854 9.245 ( -1.878 -1.085 1.057) 2.413 9.357 ( 2.405 1.389 0.462) 2.816 9.812 ( 1.081 0.624 -0.393) 1.309 9.979 ( -0.291 -0.168 4.621) 4.633 10.085 ( 5.390 3.112 -3.541) 7.161 13.324 ( -0.174 -0.101 2.268) 2.277 13.577 ( 8.669 5.005 1.525) 10.126 16.607 ( 0.116 0.067 -1.792) 1.797 16.721 ( 3.159 1.824 0.592) 3.695 17.209 ( -0.637 -0.368 -0.048) 0.737 17.395 ( -10.582 -6.110 -3.452) 12.698 ======================= Grid point 439 (84/116) ======================= q-point: ( 0.30 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 4.362 2.518 7.828) 9.308 1.641 ( -0.744 -0.429 10.989) 11.022 1.768 ( -0.200 -0.115 -2.901) 2.910 2.309 ( 3.904 2.254 -3.137) 5.493 2.310 ( 0.153 0.088 -1.031) 1.046 2.579 ( 4.975 2.872 5.497) 7.950 2.644 ( 5.974 3.449 0.140) 6.900 2.813 ( -2.365 -1.365 0.865) 2.865 2.948 ( 1.197 0.691 1.543) 2.071 3.004 ( 0.036 0.021 -0.971) 0.972 3.164 ( -3.833 -2.213 -5.039) 6.707 3.477 ( 4.323 2.496 1.960) 5.362 5.646 ( -1.160 -0.670 -4.663) 4.851 5.745 ( 1.011 0.584 -4.224) 4.383 6.820 ( 2.593 1.497 -0.971) 3.147 8.569 ( -2.086 -1.205 -1.166) 2.677 9.202 ( -1.732 -1.000 1.027) 2.249 9.418 ( 2.870 1.657 0.370) 3.335 9.835 ( 0.929 0.536 -0.405) 1.146 9.920 ( -3.613 -2.086 3.298) 5.318 10.231 ( 5.996 3.462 -1.845) 7.165 13.322 ( 0.016 0.009 2.358) 2.358 13.783 ( 8.907 5.143 2.083) 10.494 16.608 ( -0.020 -0.012 -1.856) 1.856 16.730 ( -3.146 -1.816 5.098) 6.260 17.190 ( -1.713 -0.989 -2.660) 3.314 17.210 ( -3.745 -2.162 -5.993) 7.390 ======================= Grid point 440 (85/116) ======================= q-point: ( 0.40 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 4.752 2.744 3.590) 6.557 1.637 ( 0.921 0.532 6.248) 6.338 1.775 ( 0.871 0.503 -0.220) 1.029 2.242 ( -4.877 -2.816 1.495) 5.827 2.364 ( 0.566 0.327 0.338) 0.736 2.680 ( 5.314 3.068 0.704) 6.177 2.761 ( -1.993 -1.151 2.513) 3.407 2.829 ( 5.098 2.944 1.599) 6.100 2.936 ( -1.773 -1.024 -2.950) 3.591 3.013 ( 0.727 0.420 -3.256) 3.363 3.093 ( -1.134 -0.655 0.625) 1.451 3.559 ( 2.664 1.538 2.026) 3.683 5.623 ( -0.832 -0.481 -4.655) 4.753 5.764 ( 0.609 0.352 -4.235) 4.293 6.870 ( 1.640 0.947 -1.007) 2.145 8.539 ( -0.650 -0.375 -1.297) 1.499 9.170 ( -0.984 -0.568 0.947) 1.479 9.481 ( 2.406 1.389 0.398) 2.807 9.835 ( -3.470 -2.004 3.190) 5.122 9.852 ( 0.494 0.285 -0.381) 0.686 10.342 ( 3.645 2.104 -1.342) 4.417 13.325 ( 0.207 0.119 2.251) 2.264 13.960 ( 6.124 3.535 2.407) 7.469 16.606 ( -0.147 -0.085 -1.791) 1.799 16.615 ( -5.001 -2.887 5.606) 8.048 17.155 ( -0.731 -0.422 -8.292) 8.334 17.186 ( -0.309 -0.178 -1.263) 1.312 ======================= Grid point 441 (86/116) ======================= q-point: (-0.50 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 4.030 2.327 -0.701) 4.706 1.692 ( 3.876 2.238 1.613) 4.757 1.796 ( 0.283 0.164 1.062) 1.111 2.134 ( -3.583 -2.069 3.752) 5.585 2.325 ( -3.867 -2.232 4.393) 6.263 2.729 ( -0.753 -0.435 2.991) 3.115 2.751 ( -7.388 -4.266 0.338) 8.538 2.802 ( 4.513 2.606 0.928) 5.293 2.940 ( -0.989 -0.571 -0.313) 1.185 3.037 ( 1.325 0.765 -4.435) 4.692 3.131 ( 3.527 2.036 -0.755) 4.142 3.592 ( 0.114 0.066 1.962) 1.967 5.612 ( -0.094 -0.054 -4.591) 4.592 5.772 ( 0.030 0.017 -4.274) 4.274 6.890 ( -0.004 -0.002 -1.017) 1.017 8.534 ( 0.104 0.060 -1.444) 1.449 9.160 ( 0.105 0.061 0.845) 0.854 9.512 ( -0.118 -0.068 0.332) 0.359 9.782 ( -0.698 -0.403 3.886) 3.968 9.857 ( -0.071 -0.041 -0.323) 0.334 10.394 ( 0.894 0.516 -1.824) 2.096 13.331 ( 0.326 0.188 1.987) 2.023 14.039 ( 0.403 0.233 2.116) 2.167 16.569 ( 1.693 0.977 4.244) 4.673 16.602 ( -0.213 -0.123 -1.622) 1.641 17.126 ( -2.190 -1.264 -6.459) 6.936 17.184 ( 0.087 0.051 -1.515) 1.518 ======================= Grid point 443 (87/116) ======================= q-point: (-0.40 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 2.116 1.222 -3.885) 4.590 1.736 ( -4.683 -2.704 1.737) 5.680 1.813 ( 5.222 3.015 -1.698) 6.265 2.122 ( 2.727 1.574 5.898) 6.686 2.203 ( -6.398 -3.694 6.955) 10.147 2.561 ( -8.486 -4.899 3.936) 10.559 2.725 ( 0.313 0.181 3.138) 3.158 2.841 ( -3.873 -2.236 2.206) 4.986 2.927 ( 2.723 1.572 -0.704) 3.222 3.067 ( 1.173 0.677 -4.207) 4.420 3.197 ( 1.735 1.002 -4.189) 4.644 3.564 ( -2.462 -1.421 1.760) 3.343 5.619 ( 0.685 0.396 -4.489) 4.558 5.766 ( -0.543 -0.314 -4.322) 4.367 6.870 ( -1.644 -0.949 -0.999) 2.145 8.544 ( 0.789 0.455 -1.492) 1.748 9.175 ( 1.157 0.668 0.757) 1.536 9.473 ( -2.830 -1.634 0.627) 3.327 9.808 ( 2.571 1.484 4.465) 5.362 9.849 ( -0.619 -0.357 -0.246) 0.756 10.380 ( -2.211 -1.277 -2.929) 3.886 13.339 ( 0.320 0.185 1.668) 1.709 13.974 ( -5.834 -3.368 1.516) 6.905 16.597 ( -0.195 -0.113 -1.416) 1.434 16.702 ( 9.700 5.600 3.910) 11.863 17.051 ( -4.321 -2.495 -6.251) 7.998 17.189 ( 0.306 0.177 -0.783) 0.860 ======================= Grid point 444 (88/116) ======================= q-point: (-0.30 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -7.583 -4.378 5.031) 10.098 1.597 ( -1.466 -0.846 -3.470) 3.861 1.926 ( 3.658 2.112 -1.661) 4.538 2.060 ( -5.551 -3.205 6.027) 8.798 2.226 ( 5.233 3.021 2.590) 6.574 2.391 ( -5.639 -3.256 9.030) 11.132 2.713 ( -5.837 -3.370 0.565) 6.764 2.743 ( 1.229 0.710 3.082) 3.393 2.986 ( 1.377 0.795 -0.129) 1.595 3.086 ( 0.471 0.272 -3.137) 3.184 3.213 ( 0.068 0.039 -5.971) 5.971 3.486 ( -4.186 -2.417 1.461) 5.049 5.640 ( 1.112 0.642 -4.399) 4.582 5.748 ( -0.942 -0.544 -4.383) 4.516 6.820 ( -2.591 -1.496 -0.961) 3.142 8.575 ( 2.071 1.196 -1.437) 2.790 9.210 ( 1.812 1.046 0.712) 2.210 9.403 ( -3.077 -1.777 1.003) 3.692 9.830 ( -0.999 -0.577 -0.171) 1.166 9.878 ( 3.180 1.836 4.842) 6.076 10.293 ( -5.382 -3.107 -4.144) 7.470 13.345 ( 0.182 0.105 1.418) 1.433 13.794 ( -9.445 -5.453 1.225) 10.975 16.593 ( -0.107 -0.062 -1.252) 1.258 16.904 ( -2.870 -1.657 2.797) 4.336 17.013 ( 11.347 6.551 -5.151) 14.079 17.198 ( 0.532 0.307 -0.339) 0.701 ======================= Grid point 445 (89/116) ======================= q-point: (-0.20 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -7.770 -4.486 9.737) 13.240 1.513 ( -5.634 -3.253 2.500) 6.969 1.959 ( -0.332 -0.191 0.287) 0.479 1.973 ( -1.913 -1.105 0.420) 2.249 2.271 ( -2.064 -1.192 -1.717) 2.937 2.334 ( -0.763 -0.440 11.319) 11.353 2.664 ( 3.586 2.070 -0.167) 4.144 2.777 ( 1.699 0.981 2.441) 3.131 2.971 ( -2.471 -1.427 -1.019) 3.030 3.092 ( 0.304 0.176 -1.712) 1.748 3.211 ( -0.335 -0.193 -5.678) 5.691 3.382 ( -4.806 -2.774 1.172) 5.671 5.666 ( 1.063 0.614 -4.364) 4.533 5.725 ( -1.029 -0.594 -4.459) 4.615 6.760 ( -2.512 -1.450 -0.919) 3.043 8.643 ( 3.923 2.265 -1.500) 4.772 9.253 ( 1.830 1.057 0.726) 2.234 9.341 ( -2.191 -1.265 1.133) 2.772 9.806 ( -1.058 -0.611 -0.134) 1.229 9.933 ( 0.890 0.514 4.736) 4.846 10.149 ( -6.348 -3.665 -4.388) 8.543 13.347 ( -0.029 -0.017 1.332) 1.332 13.573 ( -9.286 -5.361 1.444) 10.819 16.592 ( 0.018 0.010 -1.192) 1.192 16.772 ( -6.214 -3.588 -1.924) 7.429 17.210 ( 0.583 0.336 -0.081) 0.678 17.341 ( 14.258 8.232 -0.666) 16.477 ======================= Grid point 446 (90/116) ======================= q-point: (-0.10 0.00 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -4.572 -2.639 12.511) 13.579 1.368 ( -6.405 -3.698 8.409) 11.199 1.953 ( 0.559 0.323 2.235) 2.326 1.965 ( 0.948 0.547 -4.261) 4.400 2.153 ( -6.812 -3.933 -3.707) 8.695 2.342 ( 1.069 0.617 14.129) 14.183 2.814 ( 1.378 0.796 1.238) 2.016 2.824 ( 7.847 4.531 -4.366) 10.058 2.899 ( -2.862 -1.652 -1.540) 3.646 3.110 ( 1.471 0.849 -0.336) 1.731 3.184 ( -2.222 -1.283 -3.854) 4.630 3.273 ( -4.653 -2.687 1.135) 5.492 5.686 ( 0.662 0.382 -4.393) 4.459 5.704 ( -0.728 -0.420 -4.506) 4.584 6.713 ( -1.515 -0.874 -0.885) 1.960 8.744 ( 4.373 2.525 -2.084) 5.462 9.287 ( 1.118 0.646 0.803) 1.521 9.306 ( -0.860 -0.497 1.058) 1.451 9.785 ( -0.665 -0.384 -0.162) 0.784 9.866 ( -5.902 -3.408 0.465) 6.831 10.076 ( -0.157 -0.091 0.522) 0.553 13.344 ( -0.222 -0.128 1.441) 1.464 13.398 ( -5.536 -3.196 1.781) 6.636 16.594 ( 0.137 0.079 -1.256) 1.266 16.650 ( -4.132 -2.386 -1.725) 5.074 17.221 ( 0.357 0.206 0.061) 0.417 17.613 ( 8.833 5.100 -1.148) 10.264 ======================= Grid point 448 (91/116) ======================= q-point: ( 0.10 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -2.709 7.742 10.590) 13.395 1.543 ( 7.838 5.913 7.925) 12.618 1.850 ( -5.472 0.085 -0.313) 5.481 2.079 ( 7.428 -0.236 -2.486) 7.837 2.242 ( 1.769 6.355 -3.034) 7.261 2.351 ( 2.645 0.565 11.969) 12.271 2.706 ( -2.763 -7.681 -1.459) 8.292 2.826 ( 3.047 -1.425 1.492) 3.680 2.920 ( -1.843 3.105 -0.812) 3.701 3.069 ( -2.708 1.210 0.014) 2.967 3.216 ( 0.752 -0.791 -6.002) 6.100 3.349 ( 2.430 5.141 1.433) 5.864 5.676 ( -0.210 -0.895 -4.471) 4.564 5.715 ( 0.296 0.918 -4.397) 4.502 6.745 ( 1.346 2.327 -0.911) 2.838 8.667 ( -2.647 -4.319 -1.516) 5.287 9.271 ( -1.059 -0.693 0.860) 1.530 9.321 ( 1.196 0.379 0.871) 1.527 9.808 ( 1.073 1.385 -0.168) 1.760 9.950 ( 2.831 1.563 3.801) 4.991 10.087 ( -0.043 4.546 -3.163) 5.539 13.342 ( -0.516 1.022 1.771) 2.109 13.516 ( 4.781 7.516 1.500) 9.034 16.601 ( 0.669 -0.061 -1.390) 1.543 16.716 ( 1.353 5.507 -1.131) 5.782 17.213 ( -0.348 -0.544 -0.019) 0.646 17.442 ( -5.631 -12.765 -1.681) 14.053 ======================= Grid point 449 (92/116) ======================= q-point: ( 0.20 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.218 9.430 7.697) 12.175 1.662 ( 0.573 2.503 10.919) 11.217 1.783 ( -2.379 0.443 -2.397) 3.406 2.202 ( 8.121 -1.115 -4.104) 9.167 2.301 ( 0.440 -0.296 -0.660) 0.847 2.482 ( 9.204 4.428 7.430) 12.631 2.616 ( -1.423 -1.818 0.387) 2.341 2.869 ( -0.677 1.519 0.050) 1.664 2.906 ( 1.035 -0.267 2.324) 2.558 3.052 ( -2.304 3.354 -0.684) 4.127 3.182 ( -1.874 -3.533 -6.414) 7.558 3.447 ( 3.206 4.443 1.781) 5.761 5.660 ( -0.840 -0.512 -4.586) 4.691 5.732 ( 0.828 0.440 -4.272) 4.373 6.799 ( 2.039 2.382 -0.958) 3.279 8.590 ( -2.180 -2.255 -1.230) 3.369 9.236 ( -2.447 0.048 0.966) 2.631 9.358 ( 3.381 -0.999 0.567) 3.571 9.836 ( 0.305 1.173 0.535) 1.325 9.957 ( -1.107 -0.899 3.317) 3.610 10.181 ( 3.806 5.390 -3.117) 7.298 13.348 ( -0.791 2.388 2.078) 3.263 13.689 ( 7.230 5.865 1.795) 9.481 16.611 ( 0.283 0.417 -1.509) 1.591 16.769 ( -1.421 2.516 2.478) 3.806 17.198 ( -0.923 -1.425 -0.788) 1.872 17.226 ( -4.138 -9.342 -5.064) 11.404 ======================= Grid point 450 (93/116) ======================= q-point: ( 0.30 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.513 10.817 4.171) 11.605 1.656 ( -1.968 1.854 8.793) 9.199 1.771 ( 0.055 0.605 -0.971) 1.146 2.243 ( -1.565 -6.220 2.427) 6.858 2.339 ( 5.990 0.947 -3.714) 7.111 2.620 ( 1.987 0.849 1.142) 2.444 2.685 ( 8.271 1.107 2.855) 8.820 2.832 ( -2.287 1.737 1.721) 3.348 2.939 ( 0.298 -1.549 -0.232) 1.595 3.052 ( -1.511 4.278 -2.350) 5.109 3.110 ( -1.913 -2.190 -2.272) 3.690 3.536 ( 2.611 3.104 1.955) 4.503 5.640 ( -1.189 0.106 -4.628) 4.779 5.749 ( 1.009 -0.193 -4.238) 4.361 6.854 ( 1.766 1.854 -1.010) 2.752 8.549 ( -1.028 -0.713 -1.272) 1.784 9.197 ( -2.184 0.367 0.964) 2.415 9.409 ( 4.250 -2.267 0.470) 4.840 9.827 ( -0.979 -2.001 2.724) 3.519 9.935 ( -2.880 4.149 0.196) 5.054 10.290 ( 4.236 2.089 -1.683) 5.014 13.360 ( -1.443 3.753 2.184) 4.576 13.861 ( 7.697 2.239 2.281) 8.334 16.614 ( -0.610 -0.202 -0.277) 0.700 16.695 ( -6.209 -0.860 4.318) 7.611 17.130 ( 1.115 -4.195 -9.287) 10.251 17.188 ( -0.445 -0.568 -0.286) 0.777 ======================= Grid point 451 (94/116) ======================= q-point: ( 0.40 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.844 9.856 1.492) 10.004 1.672 ( 1.733 3.174 3.125) 4.779 1.794 ( 0.929 1.766 1.075) 2.267 2.142 ( -2.272 -6.136 4.179) 7.764 2.388 ( -2.769 1.011 0.753) 3.042 2.688 ( 5.577 -2.488 -0.533) 6.130 2.704 ( 0.274 -3.752 2.282) 4.400 2.857 ( -3.966 -0.138 0.812) 4.051 2.903 ( 3.430 -1.500 -2.823) 4.689 3.057 ( -1.737 2.512 -0.660) 3.125 3.123 ( 1.283 3.855 -0.209) 4.068 3.590 ( 0.939 1.390 1.988) 2.601 5.625 ( -0.971 0.737 -4.599) 4.758 5.761 ( 0.777 -0.710 -4.265) 4.393 6.889 ( 0.566 0.922 -1.042) 1.502 8.536 ( -0.261 0.028 -1.407) 1.431 9.174 ( -1.152 0.858 0.897) 1.694 9.449 ( 3.651 -3.980 0.456) 5.420 9.785 ( -0.919 -1.758 3.766) 4.256 9.932 ( -3.659 5.984 -0.682) 7.047 10.360 ( 2.930 -0.411 -1.497) 3.316 13.371 ( -2.034 4.448 2.092) 5.320 13.976 ( 5.190 -2.131 2.326) 6.074 16.563 ( -1.551 -2.180 4.799) 5.494 16.643 ( -2.266 3.656 -1.971) 4.732 17.117 ( 0.657 -3.378 -7.780) 8.507 17.179 ( 0.098 -0.368 -0.652) 0.755 ======================= Grid point 452 (95/116) ======================= q-point: (-0.50 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.726 5.164 -1.251) 5.363 1.756 ( 1.328 2.018 0.163) 2.421 1.819 ( -0.580 4.988 -0.194) 5.026 2.083 ( 1.545 -2.194 6.331) 6.876 2.269 ( -7.247 -5.277 4.898) 10.215 2.622 ( -3.627 -3.562 1.381) 5.268 2.774 ( -3.496 0.534 3.233) 4.792 2.810 ( 6.188 -0.758 -0.947) 6.306 2.909 ( -0.891 -1.739 -0.055) 1.955 3.069 ( -0.127 2.111 -2.646) 3.388 3.176 ( 1.267 1.588 -2.032) 2.873 3.592 ( -1.460 -0.029 1.863) 2.367 5.623 ( -0.319 1.152 -4.522) 4.677 5.761 ( 0.287 -0.993 -4.308) 4.430 6.889 ( -1.088 -0.031 -1.038) 1.504 8.538 ( 0.280 0.278 -1.490) 1.541 9.176 ( 0.036 1.543 0.795) 1.736 9.445 ( 1.293 -5.347 0.588) 5.533 9.780 ( 1.400 0.076 4.157) 4.387 9.923 ( -4.060 5.513 -0.415) 6.859 10.378 ( 0.494 -2.136 -2.242) 3.135 13.377 ( -2.269 4.119 1.859) 5.056 13.983 ( -0.141 -5.445 1.912) 5.772 16.574 ( 3.232 -0.136 3.194) 4.546 16.662 ( 0.507 5.505 -1.083) 5.633 17.073 ( -1.698 -3.878 -6.400) 7.674 17.182 ( 0.454 -0.183 -0.788) 0.927 ======================= Grid point 453 (96/116) ======================= q-point: (-0.40 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -3.310 -0.823 -2.626) 4.305 1.695 ( -4.632 -0.092 2.550) 5.288 1.907 ( 1.228 4.917 -1.164) 5.200 2.087 ( -3.743 -6.349 5.826) 9.395 2.160 ( 5.122 2.097 4.788) 7.319 2.506 ( -7.619 0.419 4.853) 9.043 2.718 ( -2.314 -2.632 2.368) 4.230 2.824 ( -4.076 2.068 1.964) 4.975 2.937 ( 4.314 -0.649 -0.254) 4.370 3.084 ( 0.458 0.965 -3.436) 3.598 3.191 ( 0.736 -1.780 -4.578) 4.966 3.541 ( -3.827 -0.817 1.651) 4.247 5.636 ( 0.383 1.160 -4.444) 4.609 5.751 ( -0.275 -0.974 -4.348) 4.465 6.854 ( -2.491 -0.598 -1.002) 2.751 8.553 ( 1.234 0.415 -1.456) 1.953 9.203 ( 0.911 2.123 0.693) 2.412 9.398 ( -0.495 -4.779 0.913) 4.891 9.821 ( 2.446 0.343 3.596) 4.363 9.907 ( -3.216 4.555 0.694) 5.619 10.332 ( -2.767 -3.321 -3.356) 5.473 13.374 ( -2.051 2.777 1.609) 3.808 13.872 ( -5.744 -6.011 1.530) 8.454 16.602 ( -0.065 0.621 -0.509) 0.805 16.818 ( 9.801 4.307 4.633) 11.665 16.994 ( -2.666 -1.829 -8.109) 8.730 17.190 ( 0.600 0.010 -0.469) 0.762 ======================= Grid point 454 (97/116) ======================= q-point: (-0.30 0.10 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -7.450 -6.761 5.010) 11.239 1.639 ( -5.581 2.664 3.020) 6.882 1.883 ( 0.096 -6.651 3.190) 7.377 2.062 ( -1.110 5.314 -1.798) 5.719 2.278 ( 3.348 2.047 0.171) 3.928 2.394 ( -6.492 2.763 9.354) 11.717 2.642 ( -1.260 -2.517 0.711) 2.903 2.804 ( -1.828 4.144 2.560) 5.203 2.962 ( 0.745 -2.952 -0.167) 3.049 3.096 ( -0.697 0.010 -1.709) 1.846 3.190 ( 2.086 -1.606 -6.626) 7.130 3.452 ( -5.321 -1.021 1.471) 5.614 5.656 ( 0.813 0.781 -4.419) 4.561 5.734 ( -0.739 -0.660 -4.385) 4.496 6.799 ( -3.081 -0.568 -0.953) 3.275 8.593 ( 3.050 0.501 -1.370) 3.381 9.243 ( 1.225 1.872 0.650) 2.330 9.346 ( -0.952 -2.747 1.086) 3.103 9.835 ( -1.393 0.501 0.583) 1.591 9.926 ( 1.016 2.750 4.096) 5.037 10.220 ( -5.945 -3.723 -4.253) 8.203 13.361 ( -1.433 0.768 1.526) 2.230 13.691 ( -9.051 -3.680 1.481) 9.882 16.602 ( -0.567 0.724 -1.153) 1.475 16.835 ( -4.415 -3.984 0.105) 5.948 17.152 ( 14.010 5.778 -2.902) 15.430 17.203 ( 0.949 0.189 -0.227) 0.994 ======================= Grid point 459 (98/116) ======================= q-point: ( 0.20 0.20 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.581 10.267 1.319) 10.368 1.708 ( 0.337 1.488 4.734) 4.974 1.832 ( -5.286 5.875 5.077) 9.393 2.156 ( 8.317 -3.693 -3.035) 9.593 2.214 ( 0.478 -6.527 1.925) 6.821 2.563 ( 7.432 3.501 3.798) 9.050 2.652 ( -1.100 4.233 2.234) 4.911 2.882 ( 1.014 -0.981 0.305) 1.444 2.905 ( -1.299 -0.395 1.690) 2.168 3.102 ( 0.051 -0.943 -1.915) 2.136 3.133 ( -2.941 2.067 -4.805) 6.001 3.531 ( 1.993 3.851 1.760) 4.679 5.653 ( 0.037 -0.261 -4.506) 4.514 5.737 ( -0.026 0.136 -4.309) 4.311 6.848 ( 1.408 2.431 -1.015) 2.987 8.557 ( -0.808 -1.157 -1.358) 1.958 9.235 ( -0.759 -0.478 0.731) 1.157 9.339 ( 0.404 -0.442 0.884) 1.068 9.826 ( -1.089 -2.057 3.335) 4.067 9.976 ( 2.900 2.552 0.536) 3.900 10.273 ( 0.273 3.686 -2.933) 4.718 13.408 ( 1.402 3.380 1.811) 4.082 13.795 ( 2.336 4.607 1.961) 5.526 16.614 ( 0.099 -0.608 0.142) 0.632 16.798 ( -5.681 -0.207 4.017) 6.961 17.043 ( 2.285 -6.342 -8.836) 11.113 17.190 ( -0.438 -0.601 -0.273) 0.792 ======================= Grid point 460 (99/116) ======================= q-point: ( 0.30 0.20 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 1.745 8.383 -0.960) 8.616 1.705 ( -2.344 2.604 5.685) 6.678 1.833 ( -2.314 8.433 3.140) 9.291 2.108 ( -1.586 -6.630 5.683) 8.876 2.324 ( 10.350 -2.822 -5.070) 11.866 2.631 ( -2.008 0.869 2.274) 3.156 2.683 ( -0.004 -2.232 2.297) 3.203 2.822 ( 1.719 -2.334 -2.320) 3.713 2.902 ( -1.570 -1.582 -0.597) 2.307 3.107 ( -0.172 2.373 1.386) 2.753 3.148 ( 0.237 4.065 -1.713) 4.418 3.588 ( 1.155 2.051 1.917) 3.035 5.651 ( -0.652 0.976 -4.537) 4.686 5.738 ( 0.560 -0.985 -4.291) 4.438 6.889 ( 0.896 1.512 -1.078) 2.062 8.541 ( -0.332 -0.149 -1.431) 1.477 9.213 ( -1.870 1.189 0.876) 2.383 9.350 ( 2.733 -3.253 0.701) 4.306 9.783 ( -1.072 -2.049 3.913) 4.546 10.042 ( -0.667 5.971 -0.839) 6.067 10.305 ( 1.813 -0.597 -1.731) 2.577 13.464 ( -0.999 6.540 1.991) 6.909 13.859 ( 3.974 -2.445 2.289) 5.197 16.568 ( -2.257 -3.415 4.327) 5.956 16.737 ( -3.091 4.385 -1.544) 5.583 17.043 ( 2.660 -4.553 -7.999) 9.581 17.177 ( -0.290 -0.463 -0.269) 0.610 ======================= Grid point 461 (100/116) ======================= q-point: ( 0.40 0.20 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.716 3.570 2.930) 5.358 1.757 ( 1.469 2.345 0.226) 2.776 1.915 ( -1.009 12.530 -0.718) 12.591 2.033 ( 0.132 -4.166 7.258) 8.370 2.337 ( -6.321 -7.118 0.398) 9.528 2.622 ( 8.885 -4.543 -0.846) 10.015 2.659 ( -2.216 1.515 0.437) 2.720 2.835 ( -1.848 -2.710 0.701) 3.354 2.874 ( 2.306 -0.642 -1.875) 3.041 3.120 ( -2.003 3.461 1.036) 4.131 3.187 ( 0.114 1.921 -0.427) 1.971 3.609 ( -0.250 0.580 1.918) 2.019 5.650 ( -1.005 1.626 -4.499) 4.888 5.738 ( 0.909 -1.511 -4.323) 4.669 6.904 ( -0.326 0.561 -1.104) 1.281 8.539 ( -0.052 0.172 -1.499) 1.510 9.203 ( -1.079 2.086 0.855) 2.499 9.357 ( 2.523 -4.663 0.730) 5.352 9.761 ( 0.367 -0.765 4.076) 4.163 10.061 ( -4.308 6.549 -0.953) 7.897 10.325 ( 2.460 -3.058 -1.664) 4.263 13.491 ( -4.044 7.261 2.008) 8.551 13.883 ( 4.069 -6.736 2.192) 8.169 16.528 ( 1.025 -1.287 4.685) 4.966 16.746 ( -2.635 6.261 -3.236) 7.525 17.029 ( 1.417 -5.273 -6.549) 8.527 17.173 ( 0.229 -0.245 -0.370) 0.499 ======================= Grid point 463 (101/116) ======================= q-point: (-0.50 0.20 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -3.048 1.597 -0.965) 3.574 1.743 ( -2.455 -1.540 2.600) 3.893 1.981 ( -4.599 1.424 2.369) 5.366 2.064 ( 4.160 2.113 5.698) 7.365 2.141 ( -4.029 -1.015 -0.237) 4.162 2.623 ( -4.282 2.420 1.738) 5.217 2.726 ( 1.519 -4.218 3.629) 5.768 2.805 ( 4.674 -0.219 -3.785) 6.019 2.898 ( 0.387 0.448 0.686) 0.906 3.104 ( -2.115 1.237 -0.588) 2.519 3.181 ( -1.338 -0.970 -1.675) 2.353 3.590 ( -2.252 -0.129 1.819) 2.898 5.649 ( -0.596 1.159 -4.468) 4.654 5.738 ( 0.608 -1.024 -4.339) 4.499 6.889 ( -1.760 -0.017 -1.075) 2.062 8.542 ( 0.364 0.115 -1.483) 1.532 9.216 ( 0.054 2.092 0.725) 2.215 9.346 ( 1.224 -3.778 0.900) 4.072 9.781 ( 2.218 0.074 4.054) 4.621 10.030 ( -5.322 4.275 -0.426) 6.840 10.321 ( 0.342 -2.948 -2.367) 3.796 13.468 ( -4.908 3.814 1.856) 6.488 13.863 ( 0.322 -5.014 2.029) 5.418 16.572 ( 3.886 -0.124 3.668) 5.345 16.768 ( 0.011 3.243 -1.332) 3.506 17.000 ( 0.119 -1.867 -7.098) 7.340 17.179 ( 0.598 -0.126 -0.403) 0.732 ======================= Grid point 471 (102/116) ======================= q-point: ( 0.30 0.30 0.40) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.076 1.211 1.890) 3.058 1.755 ( -0.903 1.595 2.271) 2.918 1.989 ( -1.262 -2.015 8.190) 8.528 2.099 ( -0.417 10.972 -0.216) 10.982 2.243 ( 7.523 -3.740 -3.319) 9.033 2.543 ( -6.982 -7.232 -0.133) 10.053 2.706 ( 2.018 3.274 0.791) 3.927 2.787 ( -0.186 -1.589 -0.235) 1.617 2.871 ( -0.922 -1.174 -1.494) 2.112 3.164 ( 1.593 2.474 1.350) 3.237 3.196 ( -0.072 0.648 0.124) 0.664 3.614 ( 0.315 0.592 1.907) 2.022 5.675 ( 0.780 1.287 -4.445) 4.692 5.714 ( -0.760 -1.267 -4.364) 4.607 6.910 ( 0.337 0.582 -1.136) 1.320 8.541 ( -0.004 0.015 -1.520) 1.520 9.240 ( 0.668 1.347 0.838) 1.721 9.294 ( -1.109 -2.133 0.862) 2.554 9.753 ( -0.444 -0.798 4.073) 4.174 10.153 ( 3.124 4.782 -1.095) 5.816 10.268 ( -2.059 -2.862 -1.584) 3.866 13.601 ( 3.736 6.537 2.038) 7.800 13.775 ( -3.087 -5.257 2.188) 6.477 16.514 ( -1.010 -1.627 4.741) 5.114 16.834 ( 1.900 4.611 -3.944) 6.358 16.954 ( -1.418 -4.070 -5.998) 7.386 17.170 ( -0.144 -0.209 -0.303) 0.395 ======================= Grid point 545 (103/116) ======================= q-point: ( 0.00 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.000 -0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 -0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 -0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 -0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 -0.000 0.000) 0.000 5.646 ( 0.000 -0.000 0.000) 0.000 5.646 ( 0.000 -0.000 0.000) 0.000 6.686 ( 0.000 -0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 -0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 -0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 13.356 ( 0.000 -0.000 0.000) 0.000 13.356 ( 0.000 -0.000 0.000) 0.000 16.583 ( 0.000 -0.000 0.000) 0.000 16.583 ( 0.000 0.000 0.000) 0.000 17.227 ( 0.000 -0.000 0.000) 0.000 17.702 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 547 (104/116) ======================= q-point: ( 0.10 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 1.188 0.686 5.695) 5.858 1.468 ( 6.149 3.550 -5.944) 9.260 1.902 ( -1.351 -0.780 4.390) 4.658 1.965 ( 3.251 1.877 -4.649) 5.975 2.110 ( 5.042 2.911 0.818) 5.879 2.582 ( -3.876 -2.238 -0.060) 4.476 2.698 ( -2.609 -1.507 -0.556) 3.064 2.838 ( -0.306 -0.177 -1.062) 1.119 2.873 ( 2.597 1.499 1.103) 3.195 3.095 ( -2.422 -1.398 0.985) 2.965 3.155 ( 0.620 0.358 -0.746) 1.034 3.285 ( 4.441 2.564 0.157) 5.131 5.639 ( -0.596 -0.344 -0.094) 0.695 5.655 ( 0.707 0.408 0.084) 0.821 6.703 ( 1.503 0.868 -0.000) 1.736 8.721 ( -4.008 -2.314 0.021) 4.628 9.295 ( -1.219 -0.704 0.133) 1.414 9.320 ( 1.029 0.594 -0.187) 1.203 9.785 ( 0.732 0.423 -0.105) 0.852 9.867 ( 7.093 4.095 0.030) 8.191 10.082 ( -1.632 -0.942 0.148) 1.891 13.355 ( -0.016 -0.009 0.354) 0.354 13.421 ( 5.515 3.184 -0.286) 6.374 16.583 ( 0.015 0.009 -0.230) 0.230 16.627 ( 3.707 2.140 0.307) 4.292 17.222 ( -0.399 -0.230 0.003) 0.461 17.603 ( -8.352 -4.822 -0.144) 9.646 ======================= Grid point 549 (105/116) ======================= q-point: ( 0.20 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 1.660 0.958 8.446) 8.660 1.604 ( 4.814 2.780 -8.324) 10.009 1.882 ( -0.797 -0.460 7.479) 7.535 2.068 ( 5.542 3.200 -7.020) 9.499 2.228 ( 4.163 2.404 0.997) 4.910 2.530 ( 0.663 0.383 -2.790) 2.893 2.631 ( -2.405 -1.388 0.128) 2.780 2.824 ( -0.978 -0.565 -1.937) 2.243 2.940 ( 2.781 1.606 1.789) 3.676 3.052 ( -1.414 -0.816 2.007) 2.587 3.154 ( -0.777 -0.448 -0.321) 0.953 3.393 ( 4.885 2.821 0.228) 5.646 5.620 ( -1.046 -0.604 -0.155) 1.218 5.676 ( 1.077 0.622 0.102) 1.247 6.750 ( 2.494 1.440 -0.002) 2.879 8.626 ( -3.821 -2.206 0.089) 4.413 9.258 ( -1.865 -1.077 0.202) 2.163 9.358 ( 2.243 1.295 -0.387) 2.619 9.806 ( 1.061 0.612 -0.152) 1.234 10.011 ( -0.675 -0.390 -2.862) 2.966 10.070 ( 5.957 3.439 3.310) 7.633 13.355 ( -0.033 -0.019 0.574) 0.575 13.591 ( 8.977 5.183 -0.179) 10.367 16.584 ( 0.021 0.012 -0.374) 0.374 16.736 ( 5.312 3.067 1.212) 6.252 17.210 ( -0.649 -0.375 0.034) 0.750 17.349 ( -13.098 -7.562 -1.227) 15.174 ======================= Grid point 551 (106/116) ======================= q-point: ( 0.30 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.431 0.826 7.677) 7.853 1.688 ( 3.211 1.854 -4.587) 5.898 1.833 ( -3.547 -2.048 7.127) 8.220 2.204 ( 6.013 3.472 -6.686) 9.639 2.273 ( -0.423 -0.244 -2.211) 2.264 2.558 ( 1.635 0.944 -5.962) 6.254 2.691 ( 7.386 4.265 2.690) 8.943 2.798 ( -1.141 -0.659 -2.036) 2.426 2.971 ( -0.726 -0.419 0.937) 1.257 3.024 ( -1.216 -0.702 2.478) 2.848 3.133 ( -0.577 -0.333 1.624) 1.756 3.500 ( 4.347 2.510 0.197) 5.023 5.594 ( -1.156 -0.667 -0.160) 1.344 5.700 ( 1.001 0.578 0.069) 1.158 6.810 ( 2.571 1.484 -0.003) 2.969 8.558 ( -2.098 -1.211 0.136) 2.426 9.215 ( -1.782 -1.029 0.191) 2.067 9.418 ( 2.905 1.677 -0.401) 3.378 9.829 ( 0.951 0.549 -0.137) 1.107 9.942 ( -3.676 -2.122 -1.161) 4.401 10.230 ( 6.232 3.598 1.688) 7.392 13.354 ( -0.043 -0.025 0.576) 0.578 13.806 ( 9.305 5.372 0.169) 10.746 16.584 ( 0.015 0.009 -0.376) 0.377 16.829 ( 0.819 0.473 4.984) 5.073 17.066 ( -9.152 -5.284 -5.294) 11.820 17.195 ( -0.669 -0.386 0.027) 0.773 ======================= Grid point 553 (107/116) ======================= q-point: ( 0.40 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.799 0.461 4.442) 4.537 1.748 ( -3.131 -1.808 4.313) 5.627 1.763 ( 3.123 1.803 -0.860) 3.707 2.217 ( -3.414 -1.971 -3.267) 5.120 2.324 ( 4.130 2.384 -4.181) 6.342 2.649 ( 5.645 3.259 -3.518) 7.407 2.777 ( -0.679 -0.392 -1.321) 1.536 2.860 ( 6.201 3.580 0.527) 7.180 2.906 ( -4.458 -2.574 0.449) 5.167 2.996 ( -1.146 -0.661 1.919) 2.330 3.130 ( -0.110 -0.063 2.465) 2.469 3.582 ( 2.622 1.514 0.114) 3.029 5.571 ( -0.775 -0.448 -0.102) 0.901 5.719 ( 0.585 0.337 0.029) 0.676 6.859 ( 1.629 0.941 -0.003) 1.881 8.527 ( -0.761 -0.439 0.103) 0.884 9.182 ( -1.077 -0.622 0.115) 1.249 9.482 ( 2.504 1.446 -0.211) 2.900 9.847 ( 0.548 0.316 -0.078) 0.637 9.861 ( -3.032 -1.751 -0.669) 3.565 10.339 ( 3.215 1.856 0.977) 3.839 13.353 ( -0.032 -0.018 0.357) 0.359 13.988 ( 6.114 3.530 0.285) 7.066 16.584 ( 0.007 0.004 -0.234) 0.234 16.705 ( -7.456 -4.305 2.906) 9.086 17.025 ( 1.890 1.091 -3.319) 3.972 17.181 ( -0.467 -0.269 0.084) 0.545 ======================= Grid point 555 (108/116) ======================= q-point: (-0.50 0.00 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 -0.000) 0.000 2.792 ( -0.000 -0.000 0.000) 0.000 2.938 ( -0.000 -0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 8.519 ( 0.000 0.000 0.000) 0.000 9.169 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.822 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 13.353 ( 0.000 0.000 0.000) 0.000 14.061 ( 0.000 0.000 0.000) 0.000 16.584 ( 0.000 0.000 0.000) 0.000 16.612 ( 0.000 0.000 0.000) 0.000 17.052 ( 0.000 0.000 0.000) 0.000 17.175 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 569 (109/116) ======================= q-point: ( 0.10 0.10 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 1.241 2.150 0.000) 2.482 1.574 ( 3.538 6.127 0.000) 7.075 1.888 ( -0.119 -0.206 0.000) 0.238 2.024 ( 1.938 3.357 0.000) 3.876 2.204 ( 3.330 5.767 0.000) 6.659 2.527 ( -1.109 -1.921 0.000) 2.218 2.648 ( -1.799 -3.117 0.000) 3.599 2.845 ( 0.369 0.639 0.000) 0.738 2.908 ( 1.047 1.813 0.000) 2.093 3.071 ( -0.370 -0.642 0.000) 0.741 3.150 ( -0.674 -1.168 0.000) 1.349 3.365 ( 2.872 4.974 0.000) 5.744 5.628 ( -0.447 -0.775 0.000) 0.895 5.668 ( 0.495 0.857 0.000) 0.990 6.735 ( 1.333 2.308 0.000) 2.665 8.650 ( -2.391 -4.142 0.000) 4.782 9.280 ( -0.595 -1.031 0.000) 1.191 9.330 ( 0.463 0.802 0.000) 0.926 9.806 ( 0.919 1.592 0.000) 1.838 9.997 ( 4.653 8.059 0.000) 9.305 10.047 ( -1.436 -2.487 -0.000) 2.871 13.361 ( 0.314 0.544 0.000) 0.628 13.532 ( 4.452 7.711 0.000) 8.904 16.586 ( 0.138 0.240 0.000) 0.277 16.702 ( 2.935 5.083 0.000) 5.870 17.214 ( -0.348 -0.603 0.000) 0.697 17.426 ( -7.170 -12.419 0.000) 14.340 ======================= Grid point 571 (110/116) ======================= q-point: ( 0.20 0.10 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 1.131 3.536 4.602) 5.913 1.674 ( 2.118 3.872 -3.638) 5.719 1.885 ( -2.349 1.398 6.069) 6.656 2.093 ( 5.976 -0.954 -5.555) 8.215 2.283 ( 0.222 1.574 -0.672) 1.726 2.546 ( 1.900 1.839 -3.944) 4.749 2.621 ( 2.478 1.019 2.260) 3.505 2.850 ( -1.987 3.039 -1.692) 4.006 2.945 ( 2.388 -0.833 1.379) 2.881 3.059 ( -2.314 1.014 1.435) 2.906 3.118 ( 0.421 -2.858 0.215) 2.897 3.467 ( 3.440 4.337 0.122) 5.537 5.610 ( -0.981 -0.416 -0.100) 1.070 5.686 ( 0.913 0.396 0.055) 0.996 6.789 ( 2.019 2.357 -0.002) 3.104 8.578 ( -2.052 -2.308 0.068) 3.089 9.248 ( -2.303 -0.102 0.178) 2.312 9.361 ( 3.023 -0.732 -0.294) 3.124 9.839 ( 0.434 2.249 -0.035) 2.291 9.986 ( -3.040 -1.417 -1.019) 3.505 10.159 ( 6.043 4.748 1.261) 7.788 13.374 ( -0.324 1.998 0.347) 2.054 13.707 ( 7.523 6.074 0.004) 9.669 16.592 ( -0.074 0.785 -0.248) 0.826 16.809 ( 3.400 4.000 1.743) 5.531 17.149 ( -9.720 -11.898 -1.790) 15.467 17.200 ( -0.520 -0.636 -0.016) 0.822 ======================= Grid point 573 (111/116) ======================= q-point: ( 0.30 0.10 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.124 5.395 4.335) 6.922 1.739 ( 2.161 2.478 -1.698) 3.701 1.819 ( -5.868 1.622 6.350) 8.797 2.222 ( 7.208 -0.892 -5.515) 9.119 2.247 ( -0.658 -2.642 -3.588) 4.504 2.594 ( 2.092 2.371 -3.096) 4.425 2.734 ( 5.701 1.252 1.045) 5.930 2.847 ( -0.932 2.099 -0.175) 2.303 2.928 ( -2.462 -3.347 -0.114) 4.156 3.034 ( -1.095 2.390 1.001) 2.813 3.123 ( 1.126 -0.059 2.252) 2.518 3.558 ( 2.689 3.039 0.130) 4.060 5.589 ( -1.218 0.187 -0.110) 1.237 5.704 ( 1.011 -0.221 0.043) 1.035 6.843 ( 1.754 1.825 -0.003) 2.531 8.537 ( -1.037 -0.833 0.095) 1.334 9.209 ( -2.210 0.292 0.158) 2.234 9.411 ( 4.186 -2.070 -0.276) 4.678 9.852 ( -0.661 -0.106 0.043) 0.671 9.931 ( -3.422 2.629 -0.915) 4.411 10.284 ( 4.728 1.660 1.115) 5.133 13.387 ( -1.351 3.459 0.367) 3.731 13.886 ( 7.968 2.272 0.202) 8.288 16.598 ( -0.410 1.248 -0.358) 1.362 16.799 ( -7.843 -3.602 5.072) 10.011 16.980 ( 2.206 -2.764 -5.267) 6.344 17.185 ( -0.466 -0.535 0.053) 0.711 ======================= Grid point 575 (112/116) ======================= q-point: ( 0.40 0.10 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.478 7.335 1.380) 7.865 1.733 ( -2.885 0.111 2.328) 3.708 1.810 ( 0.728 2.973 0.532) 3.107 2.164 ( -1.491 -3.061 -1.640) 3.779 2.363 ( 4.300 1.568 -3.287) 5.635 2.660 ( 4.878 -1.161 -1.966) 5.386 2.753 ( -0.986 -5.771 2.852) 6.512 2.837 ( -0.670 -0.539 -1.949) 2.130 2.903 ( 1.870 -0.255 0.773) 2.040 3.043 ( -2.293 4.594 -0.042) 5.135 3.140 ( -0.253 1.553 1.427) 2.124 3.612 ( 0.888 1.319 0.056) 1.592 5.575 ( -0.928 0.819 -0.046) 1.239 5.715 ( 0.756 -0.739 0.014) 1.058 6.878 ( 0.574 0.894 -0.001) 1.063 8.522 ( -0.333 -0.069 0.044) 0.343 9.184 ( -1.248 0.799 0.061) 1.483 9.452 ( 3.678 -3.791 -0.099) 5.283 9.823 ( -0.748 -1.279 -0.072) 1.483 9.922 ( -3.244 5.805 -0.284) 6.657 10.349 ( 2.403 -0.833 0.451) 2.583 13.395 ( -2.211 4.245 0.150) 4.789 14.002 ( 5.027 -2.288 0.136) 5.524 16.602 ( -0.232 0.615 -0.433) 0.787 16.644 ( -5.088 -0.572 1.451) 5.322 17.019 ( 2.687 -1.699 -1.319) 3.442 17.175 ( -0.160 -0.329 0.051) 0.370 ======================= Grid point 591 (113/116) ======================= q-point: ( 0.20 0.20 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.752 4.767 0.000) 5.505 1.734 ( 1.231 2.131 0.000) 2.461 1.946 ( 1.652 2.861 0.000) 3.304 2.070 ( 0.666 1.153 -0.000) 1.332 2.252 ( -2.296 -3.976 0.000) 4.592 2.607 ( 1.760 3.049 0.000) 3.520 2.674 ( 2.561 4.436 0.000) 5.122 2.874 ( -2.106 -3.649 0.000) 4.213 2.929 ( -0.171 -0.297 0.000) 0.343 3.067 ( 0.763 1.321 0.000) 1.526 3.099 ( 0.798 1.382 0.000) 1.596 3.550 ( 2.199 3.810 0.000) 4.399 5.604 ( -0.103 -0.178 0.000) 0.206 5.691 ( 0.056 0.097 0.000) 0.112 6.837 ( 1.384 2.397 0.000) 2.768 8.542 ( -0.733 -1.270 0.000) 1.467 9.243 ( -0.398 -0.690 0.000) 0.797 9.348 ( -0.093 -0.161 0.000) 0.186 9.858 ( -0.540 -0.936 0.000) 1.081 9.985 ( 1.000 1.732 0.000) 1.999 10.241 ( 1.991 3.448 0.000) 3.981 13.428 ( 1.832 3.173 0.000) 3.664 13.815 ( 2.674 4.632 0.000) 5.348 16.609 ( 0.448 0.777 0.000) 0.897 16.883 ( 1.723 2.984 0.000) 3.445 16.913 ( -6.210 -10.756 -0.000) 12.420 17.187 ( -0.391 -0.678 0.000) 0.782 ======================= Grid point 593 (114/116) ======================= q-point: ( 0.30 0.20 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.568 6.309 0.241) 6.505 1.765 ( 0.384 0.811 0.522) 1.038 1.928 ( -7.600 8.663 5.110) 12.606 2.162 ( -2.341 -4.212 -0.803) 4.885 2.205 ( 12.161 -1.802 -6.170) 13.755 2.647 ( -0.624 3.001 -0.371) 3.088 2.726 ( -4.099 -7.738 2.454) 9.094 2.780 ( 4.292 -0.587 -1.463) 4.573 2.906 ( -1.511 -1.265 0.088) 1.973 3.115 ( -0.433 4.654 -1.086) 4.798 3.147 ( 2.037 2.436 1.696) 3.600 3.609 ( 1.234 1.993 0.045) 2.345 5.602 ( -0.691 1.066 -0.039) 1.271 5.691 ( 0.577 -1.032 0.019) 1.182 6.877 ( 0.887 1.474 -0.001) 1.720 8.527 ( -0.329 -0.251 0.028) 0.415 9.223 ( -1.797 1.095 0.084) 2.105 9.356 ( 2.587 -3.037 -0.113) 3.991 9.823 ( -1.038 -1.819 -0.018) 2.094 10.029 ( -1.129 6.029 -0.335) 6.143 10.291 ( 2.421 -0.931 0.417) 2.627 13.486 ( -0.865 6.385 0.104) 6.444 13.884 ( 4.097 -2.525 0.071) 4.813 16.606 ( -0.936 -1.432 -0.133) 1.716 16.745 ( -5.504 0.101 1.471) 5.698 16.939 ( 3.489 -2.048 -1.517) 4.321 17.175 ( -0.273 -0.508 0.027) 0.577 ======================= Grid point 595 (115/116) ======================= q-point: ( 0.40 0.20 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -2.823 4.890 -0.000) 5.647 1.749 ( -1.000 1.731 0.000) 1.999 1.909 ( -5.000 8.660 0.000) 10.000 2.112 ( 1.148 -1.988 0.000) 2.295 2.348 ( 2.739 -4.743 0.000) 5.477 2.587 ( 4.102 -7.105 -0.000) 8.204 2.668 ( -1.040 1.801 0.000) 2.080 2.854 ( 1.976 -3.423 -0.000) 3.952 2.856 ( -0.239 0.414 0.000) 0.479 3.135 ( -2.323 4.023 0.000) 4.646 3.180 ( -1.049 1.818 0.000) 2.099 3.630 ( -0.307 0.532 0.000) 0.615 5.601 ( -0.981 1.699 0.000) 1.961 5.691 ( 0.898 -1.555 0.000) 1.796 6.893 ( -0.307 0.531 0.000) 0.614 8.523 ( -0.074 0.129 0.000) 0.148 9.212 ( -1.175 2.035 0.000) 2.349 9.365 ( 2.585 -4.477 0.000) 5.169 9.803 ( 0.423 -0.732 0.000) 0.845 10.051 ( -3.826 6.626 0.000) 7.651 10.307 ( 1.891 -3.275 0.000) 3.781 13.512 ( -4.168 7.220 0.000) 8.336 13.906 ( 3.928 -6.804 0.000) 7.856 16.578 ( 0.776 -1.345 0.000) 1.553 16.710 ( -3.030 5.248 0.000) 6.060 16.960 ( 2.391 -4.141 0.000) 4.782 17.169 ( 0.130 -0.225 0.000) 0.260 ======================= Grid point 615 (116/116) ======================= q-point: ( 0.30 0.30 -0.50) 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 5.87e-04 1.10e-04 1.10e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 1.816 3.146 -0.000) 3.632 1.779 ( 0.174 0.301 0.000) 0.347 2.091 ( -1.285 -2.225 0.000) 2.569 2.103 ( 3.087 5.346 0.000) 6.173 2.196 ( 1.720 2.980 0.000) 3.441 2.520 ( -5.584 -9.671 0.000) 11.168 2.716 ( 1.792 3.103 0.000) 3.583 2.787 ( -0.167 -0.290 0.000) 0.335 2.866 ( -1.095 -1.896 0.000) 2.190 3.183 ( 1.138 1.970 -0.000) 2.275 3.194 ( 0.891 1.544 0.000) 1.782 3.635 ( 0.341 0.590 0.000) 0.682 5.627 ( 0.772 1.338 0.000) 1.545 5.667 ( -0.756 -1.310 0.000) 1.513 6.898 ( 0.325 0.564 0.000) 0.651 8.525 ( -0.006 -0.010 0.000) 0.011 9.249 ( 0.769 1.331 0.000) 1.537 9.303 ( -1.200 -2.079 0.000) 2.401 9.796 ( -0.451 -0.780 0.000) 0.901 10.141 ( 2.726 4.721 0.000) 5.451 10.251 ( -1.623 -2.811 0.000) 3.245 13.623 ( 3.804 6.588 0.000) 7.607 13.799 ( -3.065 -5.309 0.000) 6.131 16.565 ( -0.894 -1.549 0.000) 1.789 16.793 ( 1.840 3.186 0.000) 3.679 16.890 ( -1.577 -2.731 0.000) 3.153 17.167 ( -0.125 -0.216 0.000) 0.250 =================== 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 3/27000 10.0 128.299 128.299 79.318 -0.000 0.000 -0.000 3/27000 20.0 23.485 23.485 16.160 -0.000 0.000 -0.000 3/27000 30.0 11.586 11.586 8.270 -0.000 0.000 -0.000 3/27000 40.0 8.078 8.078 5.778 -0.000 0.000 -0.000 3/27000 50.0 6.332 6.332 4.549 -0.000 0.000 -0.000 3/27000 60.0 5.241 5.241 3.808 -0.000 0.000 -0.000 3/27000 70.0 4.488 4.488 3.319 -0.000 0.000 -0.000 3/27000 80.0 3.937 3.937 2.978 -0.000 0.000 -0.000 3/27000 90.0 3.519 3.519 2.731 -0.000 0.000 -0.000 3/27000 100.0 3.191 3.191 2.545 -0.000 0.000 -0.000 3/27000 110.0 2.928 2.928 2.400 -0.000 0.000 -0.000 3/27000 120.0 2.712 2.712 2.283 -0.000 0.000 -0.000 3/27000 130.0 2.530 2.530 2.185 -0.000 0.000 -0.000 3/27000 140.0 2.376 2.376 2.102 -0.000 0.000 -0.000 3/27000 150.0 2.242 2.242 2.029 -0.000 0.000 -0.000 3/27000 160.0 2.125 2.125 1.964 -0.000 0.000 -0.000 3/27000 170.0 2.022 2.022 1.904 -0.000 0.000 -0.000 3/27000 180.0 1.929 1.929 1.850 -0.000 0.000 -0.000 3/27000 190.0 1.845 1.845 1.799 -0.000 0.000 -0.000 3/27000 200.0 1.770 1.770 1.751 -0.000 0.000 -0.000 3/27000 210.0 1.700 1.700 1.706 -0.000 0.000 -0.000 3/27000 220.0 1.637 1.637 1.663 -0.000 0.000 -0.000 3/27000 230.0 1.578 1.578 1.623 -0.000 0.000 -0.000 3/27000 240.0 1.524 1.524 1.584 -0.000 0.000 -0.000 3/27000 250.0 1.473 1.473 1.547 -0.000 0.000 -0.000 3/27000 260.0 1.426 1.426 1.511 -0.000 0.000 -0.000 3/27000 270.0 1.382 1.382 1.477 -0.000 0.000 -0.000 3/27000 280.0 1.340 1.340 1.444 -0.000 0.000 -0.000 3/27000 290.0 1.301 1.301 1.412 -0.000 0.000 -0.000 3/27000 300.0 1.264 1.264 1.381 -0.000 0.000 -0.000 3/27000 310.0 1.230 1.230 1.352 -0.000 0.000 -0.000 3/27000 320.0 1.197 1.197 1.323 -0.000 0.000 -0.000 3/27000 330.0 1.165 1.165 1.296 -0.000 0.000 -0.000 3/27000 340.0 1.136 1.136 1.270 -0.000 0.000 -0.000 3/27000 350.0 1.108 1.108 1.244 -0.000 0.000 -0.000 3/27000 360.0 1.081 1.081 1.219 -0.000 0.000 -0.000 3/27000 370.0 1.055 1.055 1.196 -0.000 0.000 -0.000 3/27000 380.0 1.031 1.031 1.172 -0.000 0.000 -0.000 3/27000 390.0 1.008 1.008 1.150 -0.000 0.000 -0.000 3/27000 400.0 0.985 0.985 1.129 -0.000 0.000 -0.000 3/27000 410.0 0.964 0.964 1.108 -0.000 0.000 -0.000 3/27000 420.0 0.943 0.943 1.088 -0.000 0.000 -0.000 3/27000 430.0 0.924 0.924 1.068 -0.000 0.000 -0.000 3/27000 440.0 0.905 0.905 1.049 -0.000 0.000 -0.000 3/27000 450.0 0.887 0.887 1.031 -0.000 0.000 -0.000 3/27000 460.0 0.870 0.870 1.013 -0.000 0.000 -0.000 3/27000 470.0 0.853 0.853 0.996 -0.000 0.000 -0.000 3/27000 480.0 0.837 0.837 0.979 -0.000 0.000 -0.000 3/27000 490.0 0.821 0.821 0.963 -0.000 0.000 -0.000 3/27000 500.0 0.806 0.806 0.947 -0.000 0.000 -0.000 3/27000 510.0 0.792 0.792 0.932 -0.000 0.000 -0.000 3/27000 520.0 0.778 0.778 0.917 -0.000 0.000 -0.000 3/27000 530.0 0.764 0.764 0.903 -0.000 0.000 -0.000 3/27000 540.0 0.751 0.751 0.889 -0.000 0.000 -0.000 3/27000 550.0 0.739 0.739 0.876 -0.000 0.000 -0.000 3/27000 560.0 0.726 0.726 0.862 -0.000 0.000 -0.000 3/27000 570.0 0.715 0.715 0.850 -0.000 0.000 -0.000 3/27000 580.0 0.703 0.703 0.837 -0.000 0.000 -0.000 3/27000 590.0 0.692 0.692 0.825 -0.000 0.000 -0.000 3/27000 600.0 0.681 0.681 0.813 -0.000 0.000 -0.000 3/27000 610.0 0.671 0.671 0.802 -0.000 0.000 -0.000 3/27000 620.0 0.661 0.661 0.791 -0.000 0.000 -0.000 3/27000 630.0 0.651 0.651 0.780 -0.000 0.000 -0.000 3/27000 640.0 0.642 0.642 0.769 -0.000 0.000 -0.000 3/27000 650.0 0.632 0.632 0.759 -0.000 0.000 -0.000 3/27000 660.0 0.623 0.623 0.749 -0.000 0.000 -0.000 3/27000 670.0 0.615 0.615 0.739 -0.000 0.000 -0.000 3/27000 680.0 0.606 0.606 0.729 -0.000 0.000 -0.000 3/27000 690.0 0.598 0.598 0.720 -0.000 0.000 -0.000 3/27000 700.0 0.590 0.590 0.711 -0.000 0.000 -0.000 3/27000 710.0 0.582 0.582 0.702 -0.000 0.000 -0.000 3/27000 720.0 0.574 0.574 0.693 -0.000 0.000 -0.000 3/27000 730.0 0.567 0.567 0.685 -0.000 0.000 -0.000 3/27000 740.0 0.559 0.559 0.677 -0.000 0.000 -0.000 3/27000 750.0 0.552 0.552 0.668 -0.000 0.000 -0.000 3/27000 760.0 0.545 0.545 0.661 -0.000 0.000 -0.000 3/27000 770.0 0.539 0.539 0.653 -0.000 0.000 -0.000 3/27000 780.0 0.532 0.532 0.645 -0.000 0.000 -0.000 3/27000 790.0 0.526 0.526 0.638 -0.000 0.000 -0.000 3/27000 800.0 0.519 0.519 0.631 -0.000 0.000 -0.000 3/27000 810.0 0.513 0.513 0.624 -0.000 0.000 -0.000 3/27000 820.0 0.507 0.507 0.617 -0.000 0.000 -0.000 3/27000 830.0 0.502 0.502 0.610 -0.000 0.000 -0.000 3/27000 840.0 0.496 0.496 0.603 -0.000 0.000 -0.000 3/27000 850.0 0.490 0.490 0.597 -0.000 0.000 -0.000 3/27000 860.0 0.485 0.485 0.590 -0.000 0.000 -0.000 3/27000 870.0 0.479 0.479 0.584 -0.000 0.000 -0.000 3/27000 880.0 0.474 0.474 0.578 -0.000 0.000 -0.000 3/27000 890.0 0.469 0.469 0.572 -0.000 0.000 -0.000 3/27000 900.0 0.464 0.464 0.566 -0.000 0.000 -0.000 3/27000 910.0 0.459 0.459 0.560 -0.000 0.000 -0.000 3/27000 920.0 0.454 0.454 0.555 -0.000 0.000 -0.000 3/27000 930.0 0.450 0.450 0.549 -0.000 0.000 -0.000 3/27000 940.0 0.445 0.445 0.544 -0.000 0.000 -0.000 3/27000 950.0 0.441 0.441 0.539 -0.000 0.000 -0.000 3/27000 960.0 0.436 0.436 0.533 -0.000 0.000 -0.000 3/27000 970.0 0.432 0.432 0.528 -0.000 0.000 -0.000 3/27000 980.0 0.428 0.428 0.523 -0.000 0.000 -0.000 3/27000 990.0 0.423 0.423 0.518 -0.000 0.000 -0.000 3/27000 1000.0 0.419 0.419 0.513 -0.000 0.000 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|