----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:58:49]------------------------- 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: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 216 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.940650940994808 0.000000000000000 0.000000000000000 b -1.470325470497404 2.546678418564118 0.000000000000000 c 0.000000000000000 0.000000000000000 5.070217770000000 Atomic positions (fractional): *1 Be 0.66666666666667 0.33333333333333 0.37172974068181 9.012 2 Be 0.33333333333333 0.66666666666667 0.62827025931819 9.012 *3 N 0.66666666666667 0.33333333333333 0.72244937174693 14.007 4 N 0.33333333333333 0.66666666666667 0.27755062825307 14.007 *5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.940650940994808 0.000000000000000 0.000000000000000 b -1.470325470497404 2.546678418564118 0.000000000000000 c 0.000000000000000 0.000000000000000 5.070217770000000 Atomic positions (fractional): *1 Be 0.66666666666667 0.33333333333333 0.37172974068181 9.012 > 1 2 Be 0.33333333333333 0.66666666666667 0.62827025931819 9.012 > 2 *3 N 0.66666666666667 0.33333333333333 0.72244937174693 14.007 > 3 4 N 0.33333333333333 0.66666666666667 0.27755062825307 14.007 > 4 *5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.821952822984425 0.000000000000000 0.000000000000000 b -4.410976411492213 7.640035255692354 0.000000000000000 c 0.000000000000000 0.000000000000000 10.140435540000000 Atomic positions (fractional): *1 Be 0.22222222222222 0.11111111111111 0.18586487034090 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.18586487034090 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.18586487034090 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.18586487034090 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.18586487034090 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.18586487034090 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.18586487034090 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.18586487034090 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.18586487034090 9.012 > 1 10 Be 0.22222222222222 0.11111111111111 0.68586487034090 9.012 > 1 11 Be 0.55555555555556 0.11111111111111 0.68586487034090 9.012 > 1 12 Be 0.88888888888889 0.11111111111111 0.68586487034090 9.012 > 1 13 Be 0.22222222222222 0.44444444444444 0.68586487034090 9.012 > 1 14 Be 0.55555555555556 0.44444444444444 0.68586487034090 9.012 > 1 15 Be 0.88888888888889 0.44444444444444 0.68586487034090 9.012 > 1 16 Be 0.22222222222222 0.77777777777778 0.68586487034090 9.012 > 1 17 Be 0.55555555555556 0.77777777777778 0.68586487034090 9.012 > 1 18 Be 0.88888888888889 0.77777777777778 0.68586487034090 9.012 > 1 19 Be 0.11111111111111 0.22222222222222 0.31413512965910 9.012 > 2 20 Be 0.44444444444444 0.22222222222222 0.31413512965910 9.012 > 2 21 Be 0.77777777777778 0.22222222222222 0.31413512965910 9.012 > 2 22 Be 0.11111111111111 0.55555555555556 0.31413512965910 9.012 > 2 23 Be 0.44444444444444 0.55555555555556 0.31413512965910 9.012 > 2 24 Be 0.77777777777778 0.55555555555556 0.31413512965910 9.012 > 2 25 Be 0.11111111111111 0.88888888888889 0.31413512965910 9.012 > 2 26 Be 0.44444444444444 0.88888888888889 0.31413512965910 9.012 > 2 27 Be 0.77777777777778 0.88888888888889 0.31413512965910 9.012 > 2 28 Be 0.11111111111111 0.22222222222222 0.81413512965910 9.012 > 2 29 Be 0.44444444444444 0.22222222222222 0.81413512965910 9.012 > 2 30 Be 0.77777777777778 0.22222222222222 0.81413512965910 9.012 > 2 31 Be 0.11111111111111 0.55555555555556 0.81413512965910 9.012 > 2 32 Be 0.44444444444444 0.55555555555556 0.81413512965910 9.012 > 2 33 Be 0.77777777777778 0.55555555555556 0.81413512965910 9.012 > 2 34 Be 0.11111111111111 0.88888888888889 0.81413512965910 9.012 > 2 35 Be 0.44444444444444 0.88888888888889 0.81413512965910 9.012 > 2 36 Be 0.77777777777778 0.88888888888889 0.81413512965910 9.012 > 2 *37 N 0.22222222222222 0.11111111111111 0.36122468587347 14.007 > 3 38 N 0.55555555555556 0.11111111111111 0.36122468587347 14.007 > 3 39 N 0.88888888888889 0.11111111111111 0.36122468587347 14.007 > 3 40 N 0.22222222222222 0.44444444444444 0.36122468587347 14.007 > 3 41 N 0.55555555555556 0.44444444444444 0.36122468587347 14.007 > 3 42 N 0.88888888888889 0.44444444444444 0.36122468587347 14.007 > 3 43 N 0.22222222222222 0.77777777777778 0.36122468587347 14.007 > 3 44 N 0.55555555555556 0.77777777777778 0.36122468587347 14.007 > 3 45 N 0.88888888888889 0.77777777777778 0.36122468587347 14.007 > 3 46 N 0.22222222222222 0.11111111111111 0.86122468587347 14.007 > 3 47 N 0.55555555555556 0.11111111111111 0.86122468587347 14.007 > 3 48 N 0.88888888888889 0.11111111111111 0.86122468587347 14.007 > 3 49 N 0.22222222222222 0.44444444444444 0.86122468587347 14.007 > 3 50 N 0.55555555555556 0.44444444444444 0.86122468587347 14.007 > 3 51 N 0.88888888888889 0.44444444444444 0.86122468587347 14.007 > 3 52 N 0.22222222222222 0.77777777777778 0.86122468587347 14.007 > 3 53 N 0.55555555555556 0.77777777777778 0.86122468587347 14.007 > 3 54 N 0.88888888888889 0.77777777777778 0.86122468587347 14.007 > 3 55 N 0.11111111111111 0.22222222222222 0.13877531412653 14.007 > 4 56 N 0.44444444444444 0.22222222222222 0.13877531412653 14.007 > 4 57 N 0.77777777777778 0.22222222222222 0.13877531412653 14.007 > 4 58 N 0.11111111111111 0.55555555555556 0.13877531412653 14.007 > 4 59 N 0.44444444444444 0.55555555555556 0.13877531412653 14.007 > 4 60 N 0.77777777777778 0.55555555555556 0.13877531412653 14.007 > 4 61 N 0.11111111111111 0.88888888888889 0.13877531412653 14.007 > 4 62 N 0.44444444444444 0.88888888888889 0.13877531412653 14.007 > 4 63 N 0.77777777777778 0.88888888888889 0.13877531412653 14.007 > 4 64 N 0.11111111111111 0.22222222222222 0.63877531412653 14.007 > 4 65 N 0.44444444444444 0.22222222222222 0.63877531412653 14.007 > 4 66 N 0.77777777777778 0.22222222222222 0.63877531412653 14.007 > 4 67 N 0.11111111111111 0.55555555555556 0.63877531412653 14.007 > 4 68 N 0.44444444444444 0.55555555555556 0.63877531412653 14.007 > 4 69 N 0.77777777777778 0.55555555555556 0.63877531412653 14.007 > 4 70 N 0.11111111111111 0.88888888888889 0.63877531412653 14.007 > 4 71 N 0.44444444444444 0.88888888888889 0.63877531412653 14.007 > 4 72 N 0.77777777777778 0.88888888888889 0.63877531412653 14.007 > 4 *73 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 5 74 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 5 75 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 5 76 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 5 77 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 5 78 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 5 79 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 5 80 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 5 81 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 5 82 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 5 83 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 5 84 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 5 85 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 5 86 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 5 87 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 5 88 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 5 89 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 5 90 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5939614 -0.0000000 0.0000000 0.0000000 4.5939614 0.0000000 0.0000000 0.0000000 4.9270885 -------------------------- Born effective charges -------------------------- 1 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 2 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 3 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 4 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 5 Mg 1.9088943 -0.0000000 0.0000000 0.0000000 1.9088943 0.0000000 0.0000000 0.0000000 2.3768676 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 188 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.147 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 188 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:58:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:52]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.940650940994808 0.000000000000000 0.000000000000000 b -1.470325470497404 2.546678418564118 0.000000000000000 c 0.000000000000000 0.000000000000000 5.070217770000000 Atomic positions (fractional): 1 Be 0.66666666666667 0.33333333333333 0.37172974068181 9.012 2 Be 0.33333333333333 0.66666666666667 0.62827025931819 9.012 3 N 0.66666666666667 0.33333333333333 0.72244937174693 14.007 4 N 0.33333333333333 0.66666666666667 0.27755062825307 14.007 5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.821952822984425 0.000000000000000 0.000000000000000 b -4.410976411492213 7.640035255692354 0.000000000000000 c 0.000000000000000 0.000000000000000 10.140435540000000 Atomic positions (fractional): 1 Be 0.22222222222222 0.11111111111111 0.18586487034090 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.18586487034090 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.18586487034090 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.18586487034090 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.18586487034090 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.18586487034090 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.18586487034090 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.18586487034090 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.18586487034090 9.012 > 1 10 Be 0.22222222222222 0.11111111111111 0.68586487034090 9.012 > 1 11 Be 0.55555555555556 0.11111111111111 0.68586487034090 9.012 > 1 12 Be 0.88888888888889 0.11111111111111 0.68586487034090 9.012 > 1 13 Be 0.22222222222222 0.44444444444444 0.68586487034090 9.012 > 1 14 Be 0.55555555555556 0.44444444444444 0.68586487034090 9.012 > 1 15 Be 0.88888888888889 0.44444444444444 0.68586487034090 9.012 > 1 16 Be 0.22222222222222 0.77777777777778 0.68586487034090 9.012 > 1 17 Be 0.55555555555556 0.77777777777778 0.68586487034090 9.012 > 1 18 Be 0.88888888888889 0.77777777777778 0.68586487034090 9.012 > 1 19 Be 0.11111111111111 0.22222222222222 0.31413512965910 9.012 > 19 20 Be 0.44444444444444 0.22222222222222 0.31413512965910 9.012 > 19 21 Be 0.77777777777778 0.22222222222222 0.31413512965910 9.012 > 19 22 Be 0.11111111111111 0.55555555555556 0.31413512965910 9.012 > 19 23 Be 0.44444444444444 0.55555555555556 0.31413512965910 9.012 > 19 24 Be 0.77777777777778 0.55555555555556 0.31413512965910 9.012 > 19 25 Be 0.11111111111111 0.88888888888889 0.31413512965910 9.012 > 19 26 Be 0.44444444444444 0.88888888888889 0.31413512965910 9.012 > 19 27 Be 0.77777777777778 0.88888888888889 0.31413512965910 9.012 > 19 28 Be 0.11111111111111 0.22222222222222 0.81413512965910 9.012 > 19 29 Be 0.44444444444444 0.22222222222222 0.81413512965910 9.012 > 19 30 Be 0.77777777777778 0.22222222222222 0.81413512965910 9.012 > 19 31 Be 0.11111111111111 0.55555555555556 0.81413512965910 9.012 > 19 32 Be 0.44444444444444 0.55555555555556 0.81413512965910 9.012 > 19 33 Be 0.77777777777778 0.55555555555556 0.81413512965910 9.012 > 19 34 Be 0.11111111111111 0.88888888888889 0.81413512965910 9.012 > 19 35 Be 0.44444444444444 0.88888888888889 0.81413512965910 9.012 > 19 36 Be 0.77777777777778 0.88888888888889 0.81413512965910 9.012 > 19 37 N 0.22222222222222 0.11111111111111 0.36122468587347 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.36122468587347 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.36122468587347 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.36122468587347 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.36122468587347 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.36122468587347 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.36122468587347 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.36122468587347 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.36122468587347 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.86122468587347 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.86122468587347 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.86122468587347 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.86122468587347 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.86122468587347 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.86122468587347 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.86122468587347 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.86122468587347 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.86122468587347 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.13877531412653 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.13877531412653 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.13877531412653 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.13877531412653 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.13877531412653 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.13877531412653 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.13877531412653 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.13877531412653 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.13877531412653 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.63877531412653 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.63877531412653 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.63877531412653 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.63877531412653 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.63877531412653 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.63877531412653 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.63877531412653 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.63877531412653 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.63877531412653 14.007 > 55 73 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 73 74 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 73 75 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 73 76 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 73 77 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 73 78 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 73 79 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 73 80 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 73 81 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 73 82 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 73 83 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 73 84 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 73 85 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 73 86 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 73 87 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 73 88 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 73 89 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 73 90 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5939614 -0.0000000 0.0000000 0.0000000 4.5939614 0.0000000 0.0000000 0.0000000 4.9270885 -------------------------- Born effective charges -------------------------- 1 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 2 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 3 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 4 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 5 Mg 1.9088943 -0.0000000 0.0000000 0.0000000 1.9088943 0.0000000 0.0000000 0.0000000 2.3768676 ---------------------------------------------------------------------------- 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[ 37, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:58:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:57]------------------------- 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): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.940650940994808 0.000000000000000 0.000000000000000 b -1.470325470497404 2.546678418564118 0.000000000000000 c 0.000000000000000 0.000000000000000 5.070217770000000 Atomic positions (fractional): 1 Be 0.66666666666667 0.33333333333333 0.37172974068181 9.012 2 Be 0.33333333333333 0.66666666666667 0.62827025931819 9.012 3 N 0.66666666666667 0.33333333333333 0.72244937174693 14.007 4 N 0.33333333333333 0.66666666666667 0.27755062825307 14.007 5 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.821952822984425 0.000000000000000 0.000000000000000 b -4.410976411492213 7.640035255692354 0.000000000000000 c 0.000000000000000 0.000000000000000 10.140435540000000 Atomic positions (fractional): 1 Be 0.22222222222222 0.11111111111111 0.18586487034090 9.012 > 1 2 Be 0.55555555555556 0.11111111111111 0.18586487034090 9.012 > 1 3 Be 0.88888888888889 0.11111111111111 0.18586487034090 9.012 > 1 4 Be 0.22222222222222 0.44444444444444 0.18586487034090 9.012 > 1 5 Be 0.55555555555556 0.44444444444444 0.18586487034090 9.012 > 1 6 Be 0.88888888888889 0.44444444444444 0.18586487034090 9.012 > 1 7 Be 0.22222222222222 0.77777777777778 0.18586487034090 9.012 > 1 8 Be 0.55555555555556 0.77777777777778 0.18586487034090 9.012 > 1 9 Be 0.88888888888889 0.77777777777778 0.18586487034090 9.012 > 1 10 Be 0.22222222222222 0.11111111111111 0.68586487034090 9.012 > 1 11 Be 0.55555555555556 0.11111111111111 0.68586487034090 9.012 > 1 12 Be 0.88888888888889 0.11111111111111 0.68586487034090 9.012 > 1 13 Be 0.22222222222222 0.44444444444444 0.68586487034090 9.012 > 1 14 Be 0.55555555555556 0.44444444444444 0.68586487034090 9.012 > 1 15 Be 0.88888888888889 0.44444444444444 0.68586487034090 9.012 > 1 16 Be 0.22222222222222 0.77777777777778 0.68586487034090 9.012 > 1 17 Be 0.55555555555556 0.77777777777778 0.68586487034090 9.012 > 1 18 Be 0.88888888888889 0.77777777777778 0.68586487034090 9.012 > 1 19 Be 0.11111111111111 0.22222222222222 0.31413512965910 9.012 > 19 20 Be 0.44444444444444 0.22222222222222 0.31413512965910 9.012 > 19 21 Be 0.77777777777778 0.22222222222222 0.31413512965910 9.012 > 19 22 Be 0.11111111111111 0.55555555555556 0.31413512965910 9.012 > 19 23 Be 0.44444444444444 0.55555555555556 0.31413512965910 9.012 > 19 24 Be 0.77777777777778 0.55555555555556 0.31413512965910 9.012 > 19 25 Be 0.11111111111111 0.88888888888889 0.31413512965910 9.012 > 19 26 Be 0.44444444444444 0.88888888888889 0.31413512965910 9.012 > 19 27 Be 0.77777777777778 0.88888888888889 0.31413512965910 9.012 > 19 28 Be 0.11111111111111 0.22222222222222 0.81413512965910 9.012 > 19 29 Be 0.44444444444444 0.22222222222222 0.81413512965910 9.012 > 19 30 Be 0.77777777777778 0.22222222222222 0.81413512965910 9.012 > 19 31 Be 0.11111111111111 0.55555555555556 0.81413512965910 9.012 > 19 32 Be 0.44444444444444 0.55555555555556 0.81413512965910 9.012 > 19 33 Be 0.77777777777778 0.55555555555556 0.81413512965910 9.012 > 19 34 Be 0.11111111111111 0.88888888888889 0.81413512965910 9.012 > 19 35 Be 0.44444444444444 0.88888888888889 0.81413512965910 9.012 > 19 36 Be 0.77777777777778 0.88888888888889 0.81413512965910 9.012 > 19 37 N 0.22222222222222 0.11111111111111 0.36122468587347 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.36122468587347 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.36122468587347 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.36122468587347 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.36122468587347 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.36122468587347 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.36122468587347 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.36122468587347 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.36122468587347 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.86122468587347 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.86122468587347 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.86122468587347 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.86122468587347 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.86122468587347 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.86122468587347 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.86122468587347 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.86122468587347 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.86122468587347 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.13877531412653 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.13877531412653 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.13877531412653 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.13877531412653 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.13877531412653 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.13877531412653 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.13877531412653 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.13877531412653 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.13877531412653 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.63877531412653 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.63877531412653 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.63877531412653 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.63877531412653 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.63877531412653 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.63877531412653 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.63877531412653 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.63877531412653 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.63877531412653 14.007 > 55 73 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 73 74 Mg 0.33333333333333 0.00000000000000 0.00000000000000 24.305 > 73 75 Mg 0.66666666666667 0.00000000000000 0.00000000000000 24.305 > 73 76 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 73 77 Mg 0.33333333333333 0.33333333333333 0.00000000000000 24.305 > 73 78 Mg 0.66666666666667 0.33333333333333 0.00000000000000 24.305 > 73 79 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 73 80 Mg 0.33333333333333 0.66666666666667 0.00000000000000 24.305 > 73 81 Mg 0.66666666666667 0.66666666666667 0.00000000000000 24.305 > 73 82 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 73 83 Mg 0.33333333333333 0.00000000000000 0.50000000000000 24.305 > 73 84 Mg 0.66666666666667 0.00000000000000 0.50000000000000 24.305 > 73 85 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 73 86 Mg 0.33333333333333 0.33333333333333 0.50000000000000 24.305 > 73 87 Mg 0.66666666666667 0.33333333333333 0.50000000000000 24.305 > 73 88 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 73 89 Mg 0.33333333333333 0.66666666666667 0.50000000000000 24.305 > 73 90 Mg 0.66666666666667 0.66666666666667 0.50000000000000 24.305 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5939614 -0.0000000 0.0000000 0.0000000 4.5939614 0.0000000 0.0000000 0.0000000 4.9270885 -------------------------- Born effective charges -------------------------- 1 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 2 Be 1.5713054 -0.0000000 0.0000000 0.0000000 1.5713054 0.0000000 0.0000000 0.0000000 1.4249681 3 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 4 N -2.5257526 0.0000000 0.0000000 0.0000000 -2.5257526 0.0000000 0.0000000 0.0000000 -2.6134019 5 Mg 1.9088943 -0.0000000 0.0000000 0.0000000 1.9088943 0.0000000 0.0000000 0.0000000 2.3768676 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 20 20 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: 1.24, Number of G-points: 301, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/396) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 396 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 9.721 ( 0.000 0.000 0.000) 0.000 9.721 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 19.163 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 0.000) 0.000 20.253 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 0.000) 0.000 21.025 ( 0.000 0.000 0.000) 0.000 22.819 ( 0.000 0.000 0.000) 0.000 23.829 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/396) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 61.743 35.648 -18.336) 73.615 1.440 ( 63.487 36.654 -13.019) 74.456 2.319 ( 101.624 58.673 19.060) 118.884 9.744 ( 2.039 1.177 2.590) 3.500 10.927 ( 4.508 2.603 -1.319) 5.370 12.714 ( -4.040 -2.333 -2.296) 5.200 12.853 ( 6.619 3.822 -1.666) 7.823 13.436 ( 20.614 11.901 1.599) 23.856 19.159 ( -0.304 -0.176 -0.002) 0.351 20.227 ( -2.341 -1.352 -0.761) 2.808 20.881 ( -12.261 -7.079 -1.046) 14.196 21.026 ( 0.047 0.027 1.780) 1.781 22.760 ( -5.143 -2.969 -0.050) 5.939 23.928 ( 8.281 4.781 -4.456) 10.549 28.163 ( -1.772 -1.023 4.486) 4.931 ======================= Grid point 2 (3/396) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 59.674 34.453 -17.443) 71.079 2.876 ( 63.120 36.442 -13.442) 74.114 4.591 ( 98.408 56.816 18.204) 115.081 9.815 ( 4.259 2.459 4.560) 6.707 11.072 ( 8.116 4.686 -3.495) 10.002 12.623 ( -3.825 -2.208 -3.494) 5.631 13.075 ( 12.938 7.470 -2.596) 15.164 14.071 ( 34.765 20.071 3.791) 40.322 19.150 ( -0.536 -0.310 -0.001) 0.619 20.143 ( -5.218 -3.013 -1.297) 6.163 20.501 ( -20.483 -11.826 -1.832) 23.722 21.028 ( 0.131 0.075 3.042) 3.045 22.589 ( -9.899 -5.715 -0.262) 11.434 24.171 ( 12.371 7.142 -8.631) 16.690 28.102 ( -3.662 -2.114 8.421) 9.423 ======================= Grid point 3 (4/396) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.105 ( 56.143 32.414 -16.070) 66.790 4.295 ( 61.865 35.718 -14.149) 72.823 6.755 ( 91.712 52.950 16.364) 107.157 9.937 ( 6.559 3.787 5.651) 9.449 11.286 ( 10.549 6.091 -7.502) 14.306 12.552 ( -2.010 -1.160 -0.951) 2.508 13.435 ( 18.668 10.778 -2.465) 21.696 14.981 ( 44.713 25.815 6.004) 51.978 19.136 ( -0.667 -0.385 0.067) 0.773 19.984 ( -24.521 -14.157 -2.224) 28.402 19.985 ( -8.766 -5.061 -1.510) 10.234 21.031 ( 0.144 0.083 3.476) 3.480 22.317 ( -13.961 -8.061 -0.633) 16.134 24.457 ( 12.252 7.074 -12.475) 18.862 27.995 ( -5.765 -3.328 11.405) 13.205 ======================= Grid point 4 (5/396) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.322 ( 51.000 29.445 -14.352) 60.613 5.668 ( 58.857 33.981 -15.080) 69.616 8.690 ( 76.785 44.332 11.859) 89.453 10.110 ( 8.643 4.990 5.995) 11.643 11.554 ( 13.619 7.863 -13.369) 20.641 12.570 ( 5.095 2.942 7.934) 9.878 13.914 ( 23.422 13.523 -1.429) 27.083 16.059 ( 49.447 28.548 7.968) 57.649 19.120 ( -0.766 -0.442 0.147) 0.897 19.418 ( -24.747 -14.288 -2.201) 28.660 19.744 ( -12.510 -7.223 -1.548) 14.528 21.032 ( -0.195 -0.113 3.149) 3.157 21.963 ( -17.041 -9.838 -1.328) 19.721 24.703 ( 9.040 5.219 -15.780) 18.921 27.839 ( -8.110 -4.682 13.223) 16.203 ======================= Grid point 5 (6/396) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.404 ( 44.066 25.441 -12.399) 52.372 6.940 ( 52.671 30.410 -16.019) 62.894 10.082 ( 42.590 24.589 -0.657) 49.183 10.326 ( 10.292 5.942 5.889) 13.263 11.931 ( 19.202 11.087 -11.758) 25.098 12.903 ( 28.225 16.296 19.234) 37.844 14.485 ( 26.678 15.402 0.083) 30.805 17.165 ( 46.032 26.577 10.196) 54.122 18.894 ( -19.390 -11.195 -3.940) 22.734 19.111 ( -0.324 -0.187 1.992) 2.027 19.423 ( -15.645 -9.033 -1.685) 18.143 21.018 ( -1.070 -0.618 2.384) 2.685 21.555 ( -18.557 -10.714 -2.691) 21.596 24.851 ( 3.687 2.129 -18.180) 18.672 27.627 ( -10.606 -6.124 13.793) 18.446 ======================= Grid point 6 (7/396) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.307 ( 35.372 20.422 -10.251) 42.110 8.015 ( 40.973 23.656 -16.338) 50.053 10.573 ( 11.335 6.544 5.512) 14.201 10.663 ( 13.638 7.874 -14.854) 21.648 12.349 ( 17.542 10.128 3.287) 20.521 13.893 ( 54.427 31.423 19.741) 65.874 15.109 ( 27.951 16.137 1.620) 32.315 17.893 ( 8.741 5.047 8.919) 13.469 18.713 ( 8.520 4.919 2.251) 10.092 19.044 ( -17.470 -10.086 -2.084) 20.280 19.162 ( 8.495 4.904 -0.007) 9.809 20.980 ( -2.304 -1.330 1.517) 3.062 21.145 ( -16.872 -9.741 -5.074) 20.132 24.863 ( -2.675 -1.544 -19.234) 19.480 27.359 ( -12.986 -7.498 13.099) 19.911 ======================= Grid point 7 (8/396) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.999 ( 25.583 14.771 -7.885) 30.575 8.749 ( 23.178 13.382 -14.902) 30.632 10.832 ( 11.287 6.517 4.814) 13.894 10.894 ( 9.096 5.252 -17.945) 20.793 12.773 ( 20.646 11.920 10.128) 25.902 15.126 ( 50.313 29.048 16.213) 60.317 15.736 ( 27.033 15.607 2.858) 31.346 17.777 ( -9.319 -5.380 0.870) 10.795 18.643 ( -17.723 -10.232 -2.697) 20.642 18.834 ( -1.632 -0.942 14.832) 14.951 19.687 ( 30.791 17.777 -1.385) 35.582 20.846 ( -7.661 -4.423 -7.817) 11.805 20.915 ( -3.365 -1.943 0.776) 3.962 24.735 ( -8.235 -4.755 -18.463) 20.768 27.043 ( -14.672 -8.471 11.218) 20.319 ======================= Grid point 8 (9/396) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.469 ( 15.995 9.235 -5.318) 19.220 9.084 ( 7.794 4.500 -11.234) 14.394 11.070 ( 9.357 5.402 3.648) 11.403 11.101 ( 8.592 4.961 -13.916) 17.091 13.288 ( 24.050 13.885 9.054) 29.209 16.035 ( 27.912 16.115 10.602) 33.929 16.318 ( 24.001 13.857 3.595) 27.947 17.619 ( -4.438 -2.562 -2.496) 5.701 18.251 ( -16.684 -9.633 -3.279) 19.542 18.750 ( -3.896 -2.249 18.304) 18.848 20.245 ( 17.064 9.852 -2.180) 19.824 20.834 ( -3.548 -2.049 0.280) 4.107 20.883 ( 10.304 5.949 -6.596) 13.604 24.517 ( -10.109 -5.836 -15.243) 19.199 26.708 ( -14.417 -8.323 8.335) 18.617 ======================= Grid point 9 (10/396) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.733 ( 7.533 4.349 -2.661) 9.097 9.173 ( 1.371 0.792 -6.001) 6.206 11.240 ( 5.323 3.073 1.986) 6.459 11.256 ( 4.739 2.736 -7.074) 8.944 13.793 ( 18.268 10.547 4.729) 21.617 16.407 ( 7.340 4.238 4.526) 9.608 16.805 ( 18.186 10.500 3.457) 21.282 17.527 ( -4.472 -2.582 -2.664) 5.811 17.897 ( -14.022 -8.096 -3.253) 16.515 18.712 ( 0.532 0.307 12.789) 12.804 20.600 ( 16.533 9.545 0.186) 19.091 20.765 ( -2.345 -1.354 0.051) 2.708 21.091 ( 3.495 2.018 -5.057) 6.470 24.323 ( -6.113 -3.529 -8.857) 11.326 26.421 ( -9.920 -5.728 4.573) 12.334 ======================= Grid point 10 (11/396) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 562 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.817 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 -0.000) 0.000 11.310 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 -0.000) 0.000 16.475 ( 0.000 0.000 -0.000) 0.000 17.053 ( 0.000 0.000 0.000) 0.000 17.459 ( 0.000 0.000 0.000) 0.000 17.697 ( -0.000 -0.000 -0.000) 0.000 18.728 ( 0.000 0.000 0.000) 0.000 20.737 ( 0.000 0.000 0.000) 0.000 20.918 ( -0.000 -0.000 -0.000) 0.000 21.016 ( 0.000 0.000 0.000) 0.000 24.255 ( 0.000 0.000 -0.000) 0.000 26.301 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 22 (12/396) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 32.591 56.450 0.000) 65.183 2.712 ( 39.547 68.497 0.000) 79.093 3.960 ( 56.698 98.204 0.000) 113.396 9.790 ( 2.067 3.580 0.000) 4.133 11.029 ( 4.415 7.648 0.000) 8.831 12.640 ( -2.639 -4.571 0.000) 5.278 13.008 ( 6.861 11.884 0.000) 13.722 13.867 ( 17.905 31.012 0.000) 35.810 19.153 ( -0.280 -0.485 0.000) 0.560 20.179 ( -2.114 -3.662 0.000) 4.228 20.625 ( -10.848 -18.790 0.000) 21.697 21.015 ( -0.285 -0.493 0.000) 0.569 22.645 ( -5.017 -8.690 0.000) 10.034 24.103 ( 7.009 12.140 0.000) 14.018 28.120 ( -1.977 -3.424 0.000) 3.954 ======================= Grid point 23 (13/396) ======================= q-point: ( 0.10 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 49.398 42.518 -7.759) 65.636 4.052 ( 40.185 65.902 -9.393) 77.757 5.960 ( 73.075 78.883 9.954) 107.989 9.886 ( 4.412 4.899 2.879) 7.194 11.219 ( 7.336 10.153 -3.135) 12.912 12.550 ( -2.038 -4.821 -1.300) 5.393 13.314 ( 12.400 16.705 -1.492) 20.857 14.620 ( 31.614 35.045 2.884) 47.285 19.141 ( -0.479 -0.561 0.017) 0.738 20.075 ( -5.940 -4.074 -0.806) 7.248 20.175 ( -17.996 -20.876 -1.159) 27.587 21.011 ( 0.797 -1.264 1.862) 2.388 22.423 ( -9.546 -11.074 -0.262) 14.623 24.369 ( 9.334 12.189 -6.047) 16.500 28.028 ( -3.685 -5.437 5.689) 8.689 ======================= Grid point 24 (14/396) ======================= q-point: ( 0.15 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.684 ( 52.023 34.486 -10.329) 63.264 5.363 ( 40.048 61.587 -12.629) 74.540 7.915 ( 72.789 62.840 11.336) 96.828 10.036 ( 6.699 6.387 4.444) 10.267 11.472 ( 9.073 13.205 -8.610) 18.189 12.500 ( 2.227 -3.813 3.093) 5.391 13.751 ( 16.840 21.367 -1.614) 27.253 15.595 ( 40.941 35.829 5.503) 54.682 19.126 ( -0.594 -0.619 0.128) 0.867 19.629 ( -20.671 -21.452 -1.660) 29.837 19.897 ( -10.768 -3.971 -1.172) 11.537 21.015 ( 1.097 -1.376 2.466) 3.030 22.109 ( -13.270 -12.984 -0.759) 18.581 24.632 ( 8.084 9.989 -10.958) 16.888 27.886 ( -5.352 -7.869 9.561) 13.490 ======================= Grid point 25 (15/396) ======================= q-point: ( 0.20 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.852 ( 48.150 28.762 -10.797) 57.116 6.608 ( 38.527 54.922 -14.133) 68.560 9.555 ( 54.907 41.503 5.316) 69.032 10.240 ( 8.851 8.589 5.661) 13.570 11.799 ( 12.189 17.106 -14.453) 25.496 12.627 ( 16.701 3.964 14.624) 22.550 14.296 ( 19.945 25.298 -0.763) 32.224 16.672 ( 44.472 32.826 7.874) 55.833 19.073 ( -16.780 -16.299 -4.841) 23.888 19.117 ( -2.961 -3.653 3.389) 5.797 19.634 ( -15.458 -3.925 -1.396) 16.010 21.018 ( 0.433 -1.035 2.202) 2.471 21.726 ( -15.776 -14.212 -1.721) 21.303 24.821 ( 4.374 6.132 -14.755) 16.566 27.691 ( -7.089 -10.489 11.759) 17.278 ======================= Grid point 26 (16/396) ======================= q-point: ( 0.25 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.866 ( 40.463 23.626 -10.083) 47.928 7.719 ( 33.345 44.535 -14.842) 57.581 10.408 ( 16.321 10.079 -6.423) 20.229 10.568 ( 14.935 17.805 3.437) 23.493 12.187 ( 14.097 13.829 -4.325) 20.216 13.305 ( 46.625 25.071 19.589) 56.446 14.913 ( 21.359 28.043 0.525) 35.254 17.641 ( 31.972 19.310 10.282) 38.740 18.675 ( -6.277 -9.032 -2.886) 11.372 19.102 ( 0.646 -1.062 2.200) 2.528 19.309 ( -18.045 -2.033 -2.094) 18.280 21.005 ( -1.151 -0.440 1.527) 1.962 21.310 ( -16.084 -14.113 -3.515) 21.685 24.889 ( -0.859 1.326 -17.204) 17.276 27.440 ( -8.845 -13.011 12.408) 20.037 ======================= Grid point 27 (17/396) ======================= q-point: ( 0.30 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.680 ( 30.790 18.449 -8.663) 36.924 8.561 ( 21.986 28.582 -14.003) 38.683 10.722 ( 12.193 10.917 -7.870) 18.160 10.870 ( 4.842 12.374 -4.155) 13.922 12.572 ( 17.079 12.975 7.549) 22.739 14.501 ( 55.518 29.559 17.002) 65.154 15.557 ( 20.854 29.421 1.813) 36.107 17.843 ( -5.623 -8.007 3.615) 10.430 18.767 ( 2.948 -1.306 5.530) 6.402 18.922 ( -15.378 -2.682 3.882) 16.085 19.368 ( 23.014 15.667 -2.670) 27.968 20.938 ( -11.490 -10.845 -6.347) 17.027 20.968 ( -3.209 0.293 0.894) 3.344 24.816 ( -6.308 -3.453 -17.908) 19.298 27.137 ( -10.333 -15.058 11.602) 21.636 ======================= Grid point 28 (18/396) ======================= q-point: ( 0.35 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.274 ( 20.567 13.706 -6.804) 25.635 9.009 ( 8.745 11.051 -11.013) 17.885 11.008 ( 7.454 5.466 -15.031) 17.645 11.086 ( 5.782 20.928 2.513) 21.857 13.045 ( 21.655 16.165 9.887) 28.775 15.599 ( 41.903 19.081 12.755) 47.776 16.182 ( 18.207 28.869 2.681) 34.236 17.653 ( -4.831 -6.712 -0.599) 8.292 18.495 ( -19.315 -4.512 -2.725) 20.021 18.778 ( -4.342 -5.142 16.520) 17.838 19.998 ( 24.792 12.795 -1.304) 27.929 20.783 ( 3.221 -1.776 -7.556) 8.404 20.910 ( -4.653 1.854 0.185) 5.012 24.623 ( -9.742 -6.742 -16.377) 20.213 26.802 ( -10.797 -16.050 9.515) 21.558 ======================= Grid point 29 (19/396) ======================= q-point: ( 0.40 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.655 ( 10.825 10.132 -4.569) 15.515 9.141 ( 2.056 0.683 -6.770) 7.108 11.134 ( 4.868 0.907 -5.792) 7.620 11.383 ( 0.847 23.798 -2.371) 23.931 13.587 ( 21.078 16.476 6.872) 27.622 16.237 ( 18.757 6.172 7.330) 21.063 16.712 ( 13.252 24.232 2.172) 27.704 17.559 ( -2.380 -3.276 -2.345) 4.679 18.128 ( -19.050 -2.886 -2.977) 19.496 18.672 ( 0.117 -6.085 16.359) 17.455 20.398 ( 16.002 6.216 -1.547) 17.236 20.836 ( -4.118 2.018 -0.783) 4.653 20.989 ( 10.636 4.320 -4.563) 12.353 24.392 ( -8.145 -6.775 -11.949) 15.969 26.477 ( -8.518 -14.989 6.384) 18.384 ======================= Grid point 30 (20/396) ======================= q-point: ( 0.45 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.846 ( 1.500 7.432 -1.718) 7.774 9.147 ( 1.487 -3.501 -2.179) 4.384 11.196 ( 3.383 -2.733 -1.701) 4.670 11.553 ( -7.709 22.194 -0.976) 23.515 13.990 ( 8.379 9.396 2.331) 12.803 16.435 ( 4.387 -0.550 2.201) 4.939 17.104 ( 5.907 19.012 1.009) 19.934 17.461 ( -3.786 -4.275 -0.249) 5.716 17.825 ( -13.252 1.222 -2.290) 13.504 18.665 ( 4.122 -5.421 6.479) 9.400 20.733 ( 12.282 3.497 2.968) 13.110 20.808 ( 0.944 4.413 -1.478) 4.748 21.069 ( -3.212 -2.769 -3.813) 5.703 24.251 ( -1.923 -3.839 -4.426) 6.167 26.258 ( -1.110 -10.682 2.306) 10.984 ======================= Grid point 43 (21/396) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.394 ( 30.678 53.136 0.000) 61.356 5.349 ( 37.641 65.196 0.000) 75.282 7.578 ( 48.251 83.573 0.000) 96.501 10.010 ( 4.477 7.754 0.000) 8.954 11.468 ( 8.788 15.221 0.000) 17.576 12.454 ( -2.502 -4.333 0.000) 5.003 13.721 ( 14.120 24.457 0.000) 28.241 15.415 ( 26.013 45.056 0.000) 52.026 19.128 ( -0.437 -0.756 0.000) 0.873 19.699 ( -15.217 -26.357 0.000) 30.434 19.980 ( -3.679 -6.373 0.000) 7.359 20.992 ( -0.337 -0.583 0.000) 0.673 22.158 ( -9.091 -15.746 0.000) 18.182 24.615 ( 6.984 12.096 0.000) 13.968 27.889 ( -5.029 -8.710 0.000) 10.058 ======================= Grid point 44 (22/396) ======================= q-point: ( 0.15 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.457 ( 37.453 42.896 -4.271) 57.106 6.588 ( 34.229 61.658 -6.418) 70.813 9.139 ( 48.940 59.590 3.686) 77.199 10.192 ( 7.087 9.615 2.365) 12.177 11.822 ( 10.570 23.204 -7.890) 26.691 12.425 ( 6.019 -3.067 6.941) 9.686 14.262 ( 17.536 30.183 -0.621) 34.913 16.354 ( 33.779 40.680 3.135) 52.969 19.111 ( -0.762 -1.059 -0.452) 1.381 19.172 ( -16.455 -24.126 -0.076) 29.203 19.818 ( -9.259 -4.460 -0.553) 10.292 20.990 ( 0.955 -0.954 0.890) 1.616 21.812 ( -12.425 -17.148 -0.611) 21.185 24.819 ( 4.590 8.403 -5.858) 11.225 27.688 ( -6.503 -12.304 4.822) 14.729 ======================= Grid point 45 (23/396) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.473 ( 36.926 33.735 -6.283) 50.409 7.695 ( 28.376 53.579 -9.784) 61.414 10.240 ( 24.236 27.047 -7.391) 37.062 10.474 ( 14.767 16.102 9.683) 23.898 12.191 ( 4.582 20.472 -11.751) 24.045 12.809 ( 36.367 17.678 17.564) 44.086 14.895 ( 18.721 35.153 -0.407) 39.829 17.299 ( 33.564 29.339 6.268) 45.018 18.706 ( -11.581 -17.058 -1.909) 20.706 19.089 ( -0.535 -1.546 1.442) 2.181 19.582 ( -14.496 -1.617 -1.061) 14.624 21.001 ( 0.987 -0.427 0.887) 1.394 21.411 ( -14.111 -17.573 -1.847) 22.613 24.921 ( 0.157 3.579 -10.601) 11.190 27.428 ( -7.532 -16.167 8.029) 19.560 ======================= Grid point 46 (24/396) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.352 ( 31.786 25.609 -6.938) 41.404 8.552 ( 18.316 37.224 -10.181) 42.717 10.658 ( 10.593 16.656 -14.491) 24.487 10.900 ( 10.228 16.705 7.074) 20.826 12.477 ( 10.173 16.671 1.917) 19.624 13.865 ( 52.775 30.812 14.733) 62.862 15.571 ( 17.897 38.314 0.241) 42.288 17.800 ( 3.643 -3.777 5.553) 7.640 18.638 ( 11.701 5.265 1.890) 12.969 19.060 ( -1.773 -3.292 3.268) 4.966 19.358 ( -8.393 7.134 -2.807) 11.368 21.004 ( -5.006 -6.910 -0.488) 8.547 21.018 ( -7.913 -7.792 -3.082) 11.525 24.889 ( -5.110 -1.599 -13.685) 14.695 27.117 ( -8.168 -19.699 9.480) 23.338 ======================= Grid point 47 (25/396) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.047 ( 24.140 18.872 -6.823) 31.392 9.019 ( 6.312 16.420 -7.765) 19.229 10.951 ( 6.717 8.415 -15.864) 19.173 11.247 ( 6.954 30.485 3.246) 31.437 12.887 ( 16.935 19.732 8.165) 27.255 15.029 ( 48.749 24.075 12.496) 55.788 16.235 ( 15.167 38.287 0.645) 41.187 17.650 ( -4.751 -10.432 1.686) 11.586 18.723 ( -6.636 -2.293 2.945) 7.613 18.857 ( -13.386 -4.973 8.316) 16.525 19.698 ( 24.638 15.884 -1.728) 29.365 20.734 ( -3.496 -9.389 -6.323) 11.848 21.006 ( -2.714 3.688 -0.178) 4.583 24.723 ( -9.517 -5.984 -14.552) 18.388 26.770 ( -8.168 -22.193 9.176) 25.366 ======================= Grid point 48 (26/396) ======================= q-point: ( 0.35 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.545 ( 15.804 13.713 -6.340) 21.864 9.150 ( -0.633 3.916 -4.214) 5.787 11.072 ( 3.571 0.906 -7.985) 8.794 11.682 ( 1.268 38.785 -3.134) 38.932 13.418 ( 20.238 21.918 8.034) 30.895 15.901 ( 31.007 12.108 8.788) 34.427 16.799 ( 9.571 31.765 -0.964) 33.189 17.540 ( 0.478 -3.592 0.694) 3.689 18.459 ( -19.912 0.410 -2.024) 20.019 18.620 ( -4.875 -11.007 15.415) 19.559 20.175 ( 17.153 5.589 -1.624) 18.114 20.763 ( 10.650 -1.118 -5.671) 12.118 21.005 ( -3.040 8.048 -0.398) 8.612 24.475 ( -10.371 -8.010 -12.643) 18.209 26.419 ( -6.628 -22.747 7.301) 24.793 ======================= Grid point 49 (27/396) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.862 ( 8.258 9.803 -5.501) 13.949 9.127 ( -3.220 -0.502 -0.095) 3.260 11.115 ( 2.992 -2.796 -3.375) 5.307 11.996 ( -9.059 37.660 -2.522) 38.817 13.933 ( 13.986 18.621 4.505) 23.720 16.314 ( 11.071 2.160 4.292) 12.068 17.180 ( 7.268 17.513 -5.150) 19.648 17.538 ( -4.421 6.156 4.132) 8.632 18.131 ( -19.018 2.971 -1.743) 19.327 18.502 ( 4.133 -11.148 10.769) 16.041 20.487 ( 16.878 2.298 0.823) 17.054 20.857 ( 0.832 -2.230 -4.352) 4.961 21.092 ( 0.560 8.474 -0.873) 8.537 24.258 ( -5.496 -6.648 -7.536) 11.454 26.129 ( -1.520 -20.222 4.138) 20.697 ======================= Grid point 50 (28/396) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.024 ( -5.727 9.920 0.000) 11.454 9.050 ( 3.087 -5.346 -0.000) 6.173 11.126 ( 2.523 -4.370 -0.000) 5.046 12.105 ( -19.176 33.213 -0.000) 38.351 14.161 ( -4.666 8.082 0.000) 9.332 16.404 ( 1.392 -2.411 0.000) 2.784 17.339 ( 3.459 -5.990 -0.000) 6.917 17.536 ( -12.730 22.048 0.000) 25.459 17.950 ( -6.459 11.187 -0.000) 12.918 18.496 ( 6.688 -11.583 -0.000) 13.375 20.725 ( 5.539 -9.594 -0.000) 11.078 20.799 ( 0.509 -0.882 0.000) 1.018 21.122 ( -5.078 8.795 -0.000) 10.155 24.178 ( 1.865 -3.230 0.000) 3.730 26.009 ( 8.368 -14.493 0.000) 16.736 ======================= Grid point 65 (29/396) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.318 ( 25.295 43.813 0.000) 50.591 7.730 ( 30.773 53.300 0.000) 61.546 10.155 ( 23.951 41.485 0.000) 47.903 10.422 ( 8.290 14.359 0.000) 16.580 12.409 ( 2.489 4.311 0.000) 4.978 12.433 ( 22.022 38.144 0.000) 44.045 14.917 ( 20.772 35.978 0.000) 41.543 17.147 ( 22.113 38.300 0.000) 44.225 18.722 ( -11.479 -19.883 0.000) 22.959 19.087 ( -0.938 -1.624 0.000) 1.876 19.709 ( -3.916 -6.783 0.000) 7.832 20.984 ( 0.272 0.471 0.000) 0.544 21.445 ( -11.471 -19.868 0.000) 22.941 24.940 ( 2.040 3.533 0.000) 4.080 27.408 ( -9.279 -16.072 0.000) 18.558 ======================= Grid point 66 (30/396) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.144 ( 26.168 33.895 -2.634) 42.902 8.616 ( 18.965 37.661 -3.840) 42.341 10.695 ( 7.803 21.780 -15.496) 27.846 10.831 ( 17.758 19.700 13.510) 29.765 12.549 ( 3.711 17.522 -2.084) 18.032 13.379 ( 40.858 38.233 7.558) 56.465 15.649 ( 20.240 40.883 -0.283) 45.620 17.692 ( 8.247 6.068 2.855) 10.629 18.534 ( 5.134 3.547 -0.128) 6.241 19.043 ( -1.349 -3.451 1.108) 3.868 19.564 ( -7.845 -0.024 -0.653) 7.872 20.997 ( -1.278 -3.739 0.092) 3.952 21.061 ( -9.224 -13.634 -1.400) 16.521 24.947 ( -2.784 -1.147 -5.286) 6.083 27.062 ( -9.808 -20.861 3.833) 23.368 ======================= Grid point 67 (31/396) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.855 ( 22.989 25.131 -4.198) 34.318 9.087 ( 5.937 16.809 -3.857) 18.240 10.947 ( 4.005 8.721 -11.399) 14.901 11.392 ( 16.147 37.319 3.410) 40.805 12.877 ( 10.158 24.509 3.536) 26.765 14.474 ( 45.559 30.469 8.720) 55.498 16.378 ( 16.265 42.641 -0.758) 45.644 17.615 ( -4.468 -11.991 2.389) 13.017 18.751 ( 1.790 3.503 3.960) 5.582 18.969 ( -3.172 -6.013 2.929) 7.402 19.571 ( 6.480 13.340 -1.869) 14.948 20.706 ( -6.916 -14.568 -3.406) 16.482 21.062 ( 0.690 4.198 -0.479) 4.281 24.823 ( -8.052 -5.039 -9.036) 13.110 26.673 ( -8.989 -25.272 6.158) 27.521 ======================= Grid point 68 (32/396) ======================= q-point: ( 0.30 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.409 ( 17.372 17.403 -5.304) 25.155 9.219 ( -1.072 5.786 -1.838) 6.164 11.034 ( 1.728 0.653 -6.819) 7.065 12.043 ( 8.472 48.037 -4.190) 48.958 13.355 ( 15.219 27.793 6.952) 32.441 15.446 ( 38.507 18.417 7.829) 43.397 16.985 ( 7.536 34.156 -4.548) 35.272 17.479 ( 1.878 -4.441 4.755) 6.773 18.628 ( -8.808 -9.555 8.783) 15.685 18.767 ( -14.273 -1.881 1.350) 14.459 19.944 ( 16.827 8.718 -1.397) 19.003 20.583 ( 5.656 -5.999 -4.866) 9.574 21.124 ( -0.541 8.612 -0.641) 8.653 24.589 ( -11.570 -7.321 -10.294) 17.130 26.274 ( -6.642 -28.061 6.597) 29.581 ======================= Grid point 69 (33/396) ======================= q-point: ( 0.35 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.776 ( 10.699 8.115 -6.033) 14.722 9.228 ( -3.584 6.487 1.140) 7.499 11.042 ( 1.598 -3.858 -3.743) 5.608 12.557 ( -5.094 48.930 -4.975) 49.445 13.901 ( 15.389 26.915 6.247) 31.627 16.087 ( 21.242 7.198 5.071) 22.994 17.198 ( 1.334 1.921 -8.945) 9.246 17.687 ( 6.109 22.671 6.624) 24.396 18.347 ( -7.296 -14.545 13.248) 20.983 18.512 ( -16.336 4.205 -2.388) 17.036 20.232 ( 13.988 0.126 -0.716) 14.007 20.709 ( 10.206 -4.626 -4.611) 12.117 21.225 ( -0.725 14.290 -0.149) 14.309 24.321 ( -10.186 -7.348 -8.334) 15.073 25.920 ( -2.012 -27.737 5.072) 28.269 ======================= Grid point 70 (34/396) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.931 ( 5.161 -2.637 -3.154) 6.598 9.245 ( -5.977 12.670 1.422) 14.081 11.028 ( 2.805 -5.922 -1.204) 6.662 12.818 ( -18.331 45.013 -1.928) 48.641 14.312 ( 2.823 19.835 2.415) 20.180 16.338 ( 5.717 0.653 1.696) 5.999 17.196 ( 3.667 -9.025 -4.478) 10.721 17.959 ( -3.871 27.324 3.254) 27.788 18.165 ( -2.084 -8.067 6.308) 10.451 18.315 ( -8.789 2.117 -1.903) 9.239 20.451 ( 14.039 -7.293 1.203) 15.866 20.752 ( 2.235 -6.481 -3.274) 7.597 21.340 ( -4.898 15.794 0.081) 16.537 24.142 ( -2.883 -4.955 -3.244) 6.587 25.696 ( 6.331 -23.478 1.927) 24.393 ======================= Grid point 86 (35/396) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.780 ( 17.547 30.392 0.000) 35.094 9.122 ( 8.492 14.709 0.000) 16.984 10.962 ( 3.844 6.659 0.000) 7.689 11.433 ( 23.073 39.963 0.000) 46.145 12.940 ( 13.161 22.795 0.000) 26.322 14.203 ( 25.298 43.818 0.000) 50.596 16.460 ( 23.426 40.574 0.000) 46.851 17.589 ( -6.346 -10.992 0.000) 12.693 18.751 ( 6.441 11.157 0.000) 12.883 18.941 ( -4.161 -7.208 0.000) 8.323 19.613 ( 3.647 6.317 0.000) 7.295 20.690 ( -9.115 -15.788 0.000) 18.231 21.074 ( 2.423 4.197 0.000) 4.846 24.872 ( -3.743 -6.483 0.000) 7.486 26.619 ( -13.852 -23.992 0.000) 27.704 ======================= Grid point 87 (36/396) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.318 ( 15.237 21.357 -2.012) 26.312 9.277 ( 1.034 5.099 -0.464) 5.223 11.023 ( 0.230 0.052 -2.704) 2.715 12.273 ( 21.509 49.123 -2.020) 53.663 13.430 ( 12.621 31.171 2.513) 33.723 15.045 ( 31.180 27.490 3.491) 41.714 17.176 ( 11.380 34.642 -5.524) 36.879 17.395 ( 0.182 -8.062 5.679) 9.863 18.717 ( -10.635 -7.737 3.954) 13.733 18.861 ( -0.355 -3.254 0.121) 3.276 19.824 ( 8.837 11.303 -0.809) 14.370 20.467 ( -1.293 -9.090 -1.918) 9.380 21.184 ( 3.213 8.389 -0.377) 8.992 24.697 ( -8.467 -7.548 -4.245) 12.112 26.137 ( -11.637 -29.001 2.957) 31.388 ======================= Grid point 88 (37/396) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.688 ( 9.458 9.679 -3.575) 13.997 9.338 ( 0.034 8.570 0.874) 8.615 10.991 ( -0.685 -4.793 -2.473) 5.437 13.048 ( 8.841 52.590 -5.574) 53.618 13.962 ( 12.089 33.497 5.720) 36.068 15.755 ( 27.406 13.077 3.726) 30.594 17.190 ( -3.371 -6.604 -6.211) 9.672 17.724 ( 9.582 14.231 5.677) 18.071 18.447 ( -12.058 -0.923 6.817) 13.882 18.771 ( -8.060 1.769 -0.156) 8.254 20.039 ( 8.332 1.022 -1.177) 8.477 20.484 ( 9.402 -4.375 -2.966) 10.785 21.350 ( 3.212 14.504 -0.334) 14.859 24.450 ( -11.888 -6.558 -6.160) 14.909 25.681 ( -5.808 -32.001 4.269) 32.803 ======================= Grid point 89 (38/396) ======================= q-point: ( 0.35 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.832 ( 4.032 -1.101 -2.772) 5.016 9.456 ( -1.695 15.732 1.169) 15.866 10.925 ( 0.961 -7.945 -1.439) 8.132 13.555 ( -10.040 51.714 -4.749) 52.893 14.462 ( 7.782 29.944 5.141) 31.363 16.198 ( 14.457 4.460 1.956) 15.255 17.063 ( -1.302 -12.460 -5.737) 13.779 17.806 ( 8.037 -19.104 6.132) 21.613 18.410 ( -7.948 24.076 5.379) 25.919 18.651 ( -13.122 11.119 -1.486) 17.263 20.154 ( 10.277 -8.916 -0.495) 13.615 20.599 ( 7.957 -5.709 -2.665) 10.150 21.560 ( 0.324 19.609 0.049) 19.611 24.197 ( -9.639 -5.154 -4.525) 11.830 25.346 ( 3.251 -30.197 3.084) 30.527 ======================= Grid point 90 (39/396) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.854 ( 2.356 -4.081 -0.000) 4.712 9.528 ( -8.578 14.858 0.000) 17.157 10.890 ( 4.560 -7.898 -0.000) 9.120 13.722 ( -26.465 45.838 -0.000) 52.930 14.700 ( -11.162 19.334 -0.000) 22.325 16.345 ( 0.104 -0.180 0.000) 0.207 16.958 ( 8.094 -14.020 0.000) 16.189 17.778 ( 13.027 -22.564 -0.000) 26.055 18.504 ( -7.988 13.835 0.000) 15.975 18.563 ( -15.650 27.107 -0.000) 31.300 20.203 ( 9.389 -16.262 -0.000) 18.778 20.634 ( 3.552 -6.152 0.000) 7.104 21.674 ( -9.982 17.290 -0.000) 19.964 24.078 ( 0.592 -1.025 0.000) 1.184 25.222 ( 14.061 -24.355 0.000) 28.123 ======================= Grid point 108 (40/396) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.654 ( 6.797 11.773 0.000) 13.595 9.381 ( 4.322 7.487 0.000) 8.645 10.973 ( -2.708 -4.690 0.000) 5.416 13.230 ( 26.995 46.756 0.000) 53.990 14.063 ( 18.539 32.110 0.000) 37.078 15.547 ( 13.597 23.551 0.000) 27.194 17.186 ( -4.997 -8.654 0.000) 9.993 17.704 ( 4.932 8.543 0.000) 9.865 18.592 ( 0.753 1.304 0.000) 1.506 18.820 ( -0.740 -1.282 0.000) 1.480 19.980 ( 2.184 3.783 0.000) 4.368 20.367 ( -0.435 -0.754 0.000) 0.870 21.394 ( 7.551 13.079 0.000) 15.102 24.535 ( -5.146 -8.912 0.000) 10.291 25.557 ( -16.895 -29.263 0.000) 33.790 ======================= Grid point 109 (41/396) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.778 ( 2.039 0.654 -1.083) 2.399 9.589 ( 5.012 16.079 0.504) 16.850 10.854 ( -2.809 -8.931 -0.654) 9.385 14.053 ( 12.878 48.596 -3.910) 50.426 14.649 ( 10.070 35.811 4.162) 37.432 15.961 ( 16.658 7.880 0.582) 18.437 17.010 ( -5.592 -11.027 -2.847) 12.688 17.551 ( -4.872 -23.790 3.386) 24.518 18.739 ( -4.893 17.788 0.828) 18.467 18.862 ( 3.484 11.256 1.180) 11.842 19.969 ( 0.458 -8.501 -0.937) 8.565 20.421 ( 6.426 -1.622 -0.997) 6.702 21.691 ( 7.514 19.882 -0.023) 21.255 24.341 ( -10.338 -4.472 -2.870) 11.623 25.039 ( -6.178 -32.602 2.281) 33.261 ======================= Grid point 110 (42/396) ======================= q-point: ( 0.35 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.789 ( 1.322 -2.511 -0.541) 2.889 9.794 ( -2.690 17.812 0.318) 18.016 10.735 ( 1.825 -11.332 -0.378) 11.484 14.548 ( -12.560 48.464 -3.436) 50.183 15.059 ( -2.574 30.135 4.248) 30.542 16.273 ( 13.588 3.343 -0.723) 14.012 16.733 ( -6.437 -20.945 -1.832) 21.988 17.319 ( 9.899 -27.894 2.553) 29.708 18.773 ( -7.116 13.856 -0.030) 15.577 19.027 ( -7.455 22.787 1.293) 24.011 19.886 ( 6.315 -17.263 -0.819) 18.400 20.499 ( 5.441 -4.658 -0.550) 7.183 21.973 ( -1.350 21.334 0.065) 21.377 24.122 ( -8.237 -2.359 -1.760) 8.747 24.762 ( 8.780 -28.227 1.392) 29.594 ======================= Grid point 129 (43/396) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.765 ( -0.653 -1.130 0.000) 1.305 9.917 ( 9.301 16.110 0.000) 18.603 10.651 ( -6.492 -11.245 0.000) 12.985 14.912 ( 21.769 37.705 0.000) 43.538 15.322 ( 17.374 30.093 0.000) 34.748 16.060 ( 1.595 2.763 0.000) 3.190 16.759 ( -8.795 -15.233 0.000) 17.590 17.026 ( -14.763 -25.570 0.000) 29.526 18.935 ( 4.742 8.213 0.000) 9.483 19.200 ( 8.634 14.955 0.000) 17.268 19.734 ( -7.952 -13.774 0.000) 15.905 20.414 ( 0.198 0.343 0.000) 0.396 22.096 ( 11.228 19.447 0.000) 22.455 24.263 ( -2.828 -4.898 0.000) 5.656 24.460 ( -13.224 -22.905 0.000) 26.448 ======================= Grid point 130 (44/396) ======================= q-point: ( 0.35 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.752 ( 0.600 -1.039 -0.000) 1.200 10.127 ( -8.617 14.925 0.000) 17.234 10.491 ( 7.236 -12.533 -0.000) 14.472 15.396 ( -19.224 33.297 0.000) 38.448 15.598 ( -13.737 23.792 -0.000) 27.473 16.195 ( 14.334 -24.827 0.000) 28.668 16.414 ( -2.690 4.659 -0.000) 5.380 16.772 ( 14.634 -25.347 -0.000) 29.269 19.045 ( -7.366 12.758 0.000) 14.732 19.367 ( -5.481 9.493 0.000) 10.962 19.543 ( 8.477 -14.683 -0.000) 16.955 20.419 ( 1.644 -2.848 0.000) 3.288 22.323 ( -6.611 11.450 -0.000) 13.221 24.117 ( -1.540 2.667 0.000) 3.080 24.298 ( 9.866 -17.088 0.000) 19.731 ======================= Grid point 421 (45/396) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 0.000 71.431) 71.431 1.419 ( 0.000 0.000 71.431) 71.431 2.306 ( -0.000 0.000 116.413) 116.413 9.553 ( 0.000 0.000 -16.602) 16.602 9.553 ( 0.000 0.000 -16.602) 16.602 12.839 ( 0.000 0.000 5.832) 5.832 12.839 ( 0.000 -0.000 5.832) 5.832 17.252 ( -0.000 0.000 -55.326) 55.326 19.636 ( -0.000 -0.000 33.586) 33.586 20.254 ( 0.000 0.000 0.067) 0.067 20.254 ( 0.000 0.000 0.067) 0.067 21.022 ( 0.000 0.000 -0.316) 0.316 21.022 ( -0.000 0.000 -0.316) 0.316 22.855 ( -0.000 -0.000 3.544) 3.544 28.479 ( 0.000 0.000 -1.141) 1.141 ======================= Grid point 422 (46/396) ======================= q-point: ( 0.05 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 37.683 21.756 44.321) 62.110 2.086 ( 36.636 21.152 62.069) 75.114 3.353 ( 78.437 45.286 76.184) 118.351 9.630 ( 4.479 2.586 -13.839) 14.774 10.004 ( 28.753 16.600 -41.297) 52.988 12.882 ( 5.311 3.066 4.463) 7.584 12.926 ( 3.065 1.769 8.006) 8.753 15.083 ( -75.593 -43.644 67.313) 110.228 19.248 ( -3.938 -2.274 10.207) 11.174 20.212 ( -3.010 -1.738 -0.711) 3.547 20.845 ( -12.912 -7.455 -2.336) 15.091 21.057 ( 1.440 0.831 1.259) 2.085 21.933 ( 26.857 15.506 -60.241) 67.754 23.451 ( 42.130 24.324 -8.704) 49.420 28.323 ( -7.254 -4.188 4.551) 9.533 ======================= Grid point 423 (47/396) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 52.569 30.351 18.736) 63.527 3.091 ( 50.198 28.982 35.032) 67.727 5.305 ( 89.237 51.521 50.425) 114.718 9.754 ( 6.406 3.698 -10.596) 12.923 10.565 ( 20.096 11.603 -37.541) 44.134 12.806 ( -11.591 -6.692 13.389) 18.931 13.081 ( 12.243 7.069 3.181) 14.491 14.530 ( 14.363 8.292 31.868) 35.925 19.186 ( -2.360 -1.362 3.107) 4.133 20.115 ( -5.687 -3.284 -1.479) 6.732 20.455 ( -20.621 -11.905 -2.221) 23.914 21.085 ( 0.973 0.561 2.549) 2.785 22.101 ( -2.261 -1.305 -38.945) 39.032 24.140 ( 19.866 11.470 3.445) 23.197 28.218 ( -3.053 -1.763 2.830) 4.521 ======================= Grid point 424 (48/396) ======================= q-point: ( 0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 53.606 30.950 7.611) 62.365 4.291 ( 54.570 31.506 15.397) 64.866 7.291 ( 84.190 48.607 35.690) 103.559 9.920 ( 8.229 4.751 -7.372) 12.026 10.938 ( 13.613 7.859 -26.334) 30.668 12.617 ( -2.696 -1.557 6.770) 7.452 13.434 ( 18.743 10.821 2.413) 21.777 15.225 ( 41.173 23.771 16.170) 50.217 19.131 ( -2.613 -1.509 -1.482) 3.362 19.943 ( -23.859 -13.775 -1.078) 27.571 19.950 ( -8.950 -5.167 -1.984) 10.523 21.099 ( 0.240 0.139 3.157) 3.169 21.956 ( -9.766 -5.638 -30.232) 32.267 24.472 ( 10.881 6.282 10.190) 16.178 28.147 ( -3.768 -2.175 4.019) 5.923 ======================= Grid point 425 (49/396) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.199 ( 50.166 28.964 2.229) 57.970 5.529 ( 53.997 31.175 2.714) 62.410 9.012 ( 63.948 36.921 18.431) 76.107 10.126 ( 9.957 5.749 -4.356) 12.295 11.252 ( 16.854 9.731 -16.145) 25.287 12.727 ( 12.943 7.473 7.943) 16.925 13.922 ( 24.059 13.891 2.238) 27.871 16.267 ( 49.131 28.366 12.175) 58.023 19.057 ( -4.903 -2.831 -7.184) 9.147 19.411 ( -21.447 -12.382 2.199) 24.862 19.707 ( -12.517 -7.227 -2.120) 14.608 21.094 ( -0.737 -0.426 2.940) 3.061 21.676 ( -14.645 -8.456 -24.585) 29.840 24.661 ( 5.848 3.377 8.790) 11.084 28.034 ( -6.328 -3.654 6.827) 10.000 ======================= Grid point 426 (50/396) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.271 ( 44.011 25.409 -0.734) 50.824 6.709 ( 49.343 28.488 -5.896) 57.281 10.015 ( 24.446 14.114 -7.407) 29.184 10.369 ( 11.426 6.597 -1.496) 13.278 11.809 ( 30.517 17.619 -0.401) 35.240 13.258 ( 35.573 20.538 16.732) 44.353 14.511 ( 27.525 15.892 2.439) 31.877 17.384 ( 47.355 27.340 11.602) 55.898 18.783 ( -17.359 -10.022 -7.800) 21.509 19.134 ( -3.346 -1.932 0.689) 3.924 19.385 ( -15.668 -9.046 -1.988) 18.201 21.063 ( -1.961 -1.132 2.054) 3.057 21.307 ( -17.576 -10.148 -20.607) 28.923 24.736 ( 0.660 0.381 4.790) 4.850 27.856 ( -9.455 -5.459 9.686) 14.595 ======================= Grid point 427 (51/396) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.178 ( 35.798 20.668 -2.482) 41.410 7.727 ( 39.481 22.795 -11.474) 47.011 10.335 ( 8.728 5.039 -17.758) 20.418 10.640 ( 12.274 7.086 1.216) 14.225 12.448 ( 24.677 14.247 6.581) 29.244 14.307 ( 53.041 30.623 20.847) 64.697 15.153 ( 28.709 16.575 2.730) 33.263 18.047 ( -2.802 -1.618 6.456) 7.222 18.730 ( 24.201 13.973 -0.616) 27.952 19.005 ( -17.622 -10.174 -1.778) 20.426 19.140 ( 5.593 3.229 -2.347) 6.871 20.906 ( -16.835 -9.720 -17.650) 26.257 21.004 ( -3.254 -1.878 0.827) 3.847 24.688 ( -4.811 -2.777 0.508) 5.578 27.606 ( -12.523 -7.230 12.111) 18.862 ======================= Grid point 428 (52/396) ======================= q-point: ( 0.35 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.885 ( 26.475 15.285 -3.350) 30.754 8.458 ( 24.520 14.157 -13.493) 31.364 10.543 ( 10.828 6.252 -16.947) 21.061 10.916 ( 11.777 6.800 3.507) 14.044 12.970 ( 22.368 12.914 9.566) 27.543 15.466 ( 45.573 26.311 16.723) 55.216 15.795 ( 27.500 15.877 2.877) 31.885 17.775 ( -13.362 -7.714 -1.027) 15.463 18.599 ( -17.937 -10.356 -1.588) 20.773 19.008 ( 0.293 0.169 1.596) 1.631 19.680 ( 31.610 18.250 0.515) 36.504 20.624 ( -4.895 -2.826 -12.625) 13.833 20.919 ( -4.164 -2.404 -0.410) 4.825 24.526 ( -9.062 -5.232 -3.177) 10.935 27.294 ( -14.812 -8.552 14.061) 22.142 ======================= Grid point 429 (53/396) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.381 ( 17.360 10.023 -3.328) 20.320 8.856 ( 11.711 6.761 -11.260) 17.597 10.825 ( 13.160 7.598 -13.167) 20.106 11.157 ( 9.125 5.268 4.920) 11.629 13.478 ( 22.133 12.779 9.651) 27.319 16.254 ( 22.538 13.012 10.594) 28.098 16.382 ( 23.932 13.817 2.618) 27.758 17.529 ( -8.059 -4.653 -6.453) 11.324 18.204 ( -16.633 -9.603 -1.243) 19.246 18.922 ( -7.438 -4.294 -2.451) 8.931 20.216 ( 18.217 10.517 -0.129) 21.035 20.796 ( 16.396 9.466 -0.752) 18.947 20.823 ( -4.077 -2.354 -1.411) 4.914 24.309 ( -9.098 -5.253 -5.871) 12.034 26.949 ( -15.105 -8.721 15.609) 23.406 ======================= Grid point 430 (54/396) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.681 ( 9.298 5.368 -2.448) 11.012 9.048 ( 6.354 3.669 -6.460) 9.776 11.097 ( 10.257 5.922 -8.209) 14.410 11.313 ( 4.312 2.489 5.146) 7.160 13.922 ( 15.114 8.726 7.732) 19.088 16.519 ( 3.297 1.904 6.555) 7.581 16.853 ( 16.488 9.519 1.130) 19.072 17.390 ( -4.563 -2.635 -11.037) 12.230 17.864 ( -12.466 -7.197 0.160) 14.395 18.718 ( -9.495 -5.482 -11.856) 16.148 20.673 ( 21.415 12.364 6.770) 25.638 20.745 ( -2.578 -1.488 -2.030) 3.603 21.079 ( 5.411 3.124 4.141) 7.496 24.168 ( -2.293 -1.324 -6.639) 7.147 26.638 ( -11.554 -6.671 16.507) 21.224 ======================= Grid point 431 (55/396) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.809 ( 2.124 1.227 -0.801) 2.580 9.173 ( 4.944 2.855 -1.347) 5.866 11.278 ( 5.623 3.247 -2.818) 7.078 11.344 ( -1.627 -0.939 4.170) 4.574 14.069 ( -3.685 -2.128 4.909) 6.496 16.503 ( -3.540 -2.044 2.832) 4.973 17.020 ( -4.364 -2.520 -3.122) 5.928 17.353 ( 2.432 1.404 -10.651) 11.016 17.742 ( 4.193 2.421 4.259) 6.449 18.504 ( -9.643 -5.567 -20.331) 23.180 20.714 ( -0.018 -0.010 -2.239) 2.239 20.936 ( -7.058 -4.075 3.238) 8.770 21.160 ( 9.384 5.418 11.244) 15.615 24.227 ( 7.405 4.275 -2.779) 8.991 26.461 ( -3.495 -2.018 15.460) 15.978 ======================= Grid point 433 (56/396) ======================= q-point: (-0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.777 ( -4.993 -2.882 1.659) 5.999 9.268 ( 2.930 1.692 2.980) 4.509 11.241 ( -7.321 -4.227 2.132) 8.718 11.354 ( 1.139 0.658 2.655) 2.963 13.754 ( -22.547 -13.018 0.966) 26.053 16.348 ( -11.711 -6.761 -1.318) 13.587 16.729 ( -18.365 -10.603 -3.970) 21.574 17.495 ( 8.235 4.754 -5.832) 11.155 17.981 ( 14.057 8.116 4.949) 16.969 18.294 ( -7.225 -4.171 -26.454) 27.738 20.646 ( -14.657 -8.462 4.287) 17.458 20.743 ( 2.381 1.375 -2.139) 3.484 21.227 ( -5.524 -3.189 7.247) 9.654 24.488 ( 15.012 8.667 6.714) 18.589 26.482 ( 4.877 2.816 10.904) 12.273 ======================= Grid point 434 (57/396) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.576 ( -12.990 -7.500 5.140) 15.856 9.267 ( -4.303 -2.484 6.457) 8.147 11.023 ( -11.535 -6.660 -0.853) 13.347 11.330 ( -3.267 -1.886 8.090) 8.927 13.154 ( -27.833 -16.069 -3.590) 32.339 15.868 ( -32.472 -18.748 -5.637) 37.917 16.250 ( -23.318 -13.463 -3.142) 27.109 17.629 ( 3.722 2.149 -1.292) 4.488 18.284 ( 6.616 3.820 -26.889) 27.953 18.325 ( 15.999 9.237 4.042) 18.911 20.296 ( -18.399 -10.623 3.071) 21.466 20.812 ( 3.490 2.015 -1.912) 4.460 20.990 ( -10.935 -6.313 3.446) 13.088 24.865 ( 17.086 9.864 17.605) 26.442 26.648 ( 9.006 5.199 3.280) 10.904 ======================= Grid point 435 (58/396) ======================= q-point: (-0.35 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.178 ( -22.252 -12.847 9.731) 27.476 9.002 ( -20.443 -11.803 9.840) 25.574 10.735 ( -13.464 -7.773 -4.643) 16.225 11.201 ( -8.475 -4.893 11.151) 14.837 12.595 ( -19.660 -11.351 -6.553) 23.628 14.884 ( -52.458 -30.287 -7.105) 60.989 15.689 ( -25.858 -14.929 -1.797) 29.912 17.733 ( 5.210 3.008 -3.918) 7.179 18.482 ( 8.482 4.897 -19.305) 21.648 18.699 ( 16.884 9.748 2.870) 19.706 19.727 ( -30.110 -17.384 2.362) 34.848 20.890 ( 3.137 1.811 -1.724) 4.011 20.908 ( 4.077 2.354 -0.985) 4.809 25.214 ( 12.842 7.414 27.405) 31.159 26.865 ( 9.828 5.674 -5.893) 12.787 ======================= Grid point 436 (59/396) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.563 ( -31.969 -18.457 15.064) 39.870 8.318 ( -39.283 -22.680 13.301) 47.270 10.429 ( -13.301 -7.679 -8.766) 17.684 10.893 ( -20.972 -12.108 7.693) 25.409 12.301 ( -6.527 -3.768 -2.677) 7.998 13.608 ( -56.900 -32.851 -6.796) 66.053 15.093 ( -26.394 -15.239 0.029) 30.477 17.703 ( -14.719 -8.498 -10.155) 19.799 18.643 ( 7.748 4.473 -4.794) 10.150 19.083 ( 16.746 9.668 1.686) 19.410 19.152 ( -14.853 -8.575 -0.792) 17.169 20.948 ( 1.907 1.101 -1.673) 2.766 21.114 ( 12.713 7.340 -6.687) 16.131 25.418 ( 4.824 2.785 34.848) 35.290 27.087 ( 9.770 5.641 -14.152) 18.098 ======================= Grid point 437 (60/396) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.737 ( -40.668 -23.480 20.633) 51.292 7.276 ( -51.381 -29.665 16.506) 61.583 10.109 ( -50.649 -29.242 3.617) 58.596 10.141 ( -11.913 -6.878 -12.582) 18.642 12.230 ( -6.138 -3.544 15.455) 17.003 12.507 ( -31.672 -18.286 -18.849) 41.143 14.507 ( -24.966 -14.414 2.165) 28.909 16.994 ( -42.445 -24.505 -6.955) 49.502 18.950 ( 18.284 10.556 1.870) 21.195 19.045 ( 1.842 1.064 -4.880) 5.324 19.448 ( 15.223 8.789 0.768) 17.595 20.975 ( 0.577 0.333 -1.799) 1.918 21.436 ( 14.850 8.574 -12.418) 21.172 25.426 ( -4.120 -2.378 37.577) 37.877 27.308 ( 9.658 5.576 -18.403) 21.518 ======================= Grid point 438 (61/396) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.734 ( -47.428 -27.383 26.407) 60.799 6.037 ( -57.084 -32.957 20.113) 68.915 8.628 ( -76.920 -44.410 7.332) 89.122 9.894 ( -9.785 -5.649 -15.674) 19.322 11.719 ( -23.501 -13.568 0.322) 27.138 12.431 ( 6.337 3.659 -4.286) 8.480 13.973 ( -21.912 -12.651 4.270) 25.660 15.970 ( -45.514 -26.278 -1.251) 52.570 19.083 ( 2.618 1.511 -3.326) 4.495 19.461 ( 23.958 13.832 1.770) 27.721 19.763 ( 12.421 7.171 0.327) 14.346 20.978 ( -0.233 -0.135 -2.078) 2.095 21.761 ( 13.335 7.699 -18.103) 23.766 25.240 ( -12.015 -6.937 34.598) 37.277 27.525 ( 9.466 5.465 -17.654) 20.763 ======================= Grid point 439 (62/396) ======================= q-point: (-0.15 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.603 ( -51.917 -29.974 32.958) 68.411 4.715 ( -59.140 -34.144 24.463) 72.538 6.749 ( -86.720 -50.068 18.150) 101.767 9.703 ( -6.991 -4.036 -17.802) 19.546 11.235 ( -20.455 -11.810 -11.907) 26.451 12.609 ( 9.105 5.257 3.265) 11.010 13.522 ( -17.758 -10.253 5.930) 21.346 15.014 ( -36.853 -21.277 7.649) 43.236 19.142 ( 2.496 1.441 0.367) 2.906 20.005 ( 8.825 5.095 0.372) 10.198 20.010 ( 23.737 13.704 0.268) 27.410 20.971 ( -0.232 -0.134 -2.370) 2.385 22.021 ( 9.276 5.355 -24.511) 26.749 24.889 ( -18.892 -10.907 25.416) 33.494 27.739 ( 9.587 5.535 -12.494) 16.693 ======================= Grid point 440 (63/396) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -59.660 -34.445 28.424) 74.523 3.402 ( -53.413 -30.838 41.680) 74.439 4.783 ( -84.442 -48.753 40.911) 105.740 9.581 ( -3.750 -2.165 -18.746) 19.239 10.741 ( -24.175 -13.958 -27.313) 39.054 12.824 ( 8.260 4.769 8.530) 12.796 13.173 ( -12.911 -7.454 6.805) 16.389 14.440 ( -8.065 -4.656 29.976) 31.389 19.195 ( 2.201 1.271 4.265) 4.965 20.163 ( 5.112 2.951 0.604) 5.933 20.509 ( 19.707 11.378 -1.185) 22.786 20.972 ( 0.415 0.240 -2.352) 2.400 22.158 ( 1.976 1.141 -33.819) 33.896 24.364 ( -28.719 -16.581 7.183) 33.931 27.969 ( 10.975 6.337 -3.335) 13.105 ======================= Grid point 441 (64/396) ======================= q-point: (-0.05 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -55.676 -32.145 37.571) 74.463 2.230 ( -48.035 -27.733 55.639) 78.563 3.085 ( -60.316 -34.823 84.729) 109.680 9.533 ( -0.534 -0.309 -18.341) 18.351 10.098 ( -32.388 -18.699 -36.174) 52.031 12.879 ( -2.825 -1.631 4.965) 5.941 12.941 ( -7.480 -4.319 6.739) 10.956 15.087 ( 76.045 43.905 66.592) 110.204 19.252 ( 3.686 2.128 10.618) 11.440 20.241 ( 1.902 1.098 0.565) 2.267 20.871 ( 11.251 6.496 -2.672) 13.264 20.991 ( 1.159 0.669 -1.662) 2.134 21.980 ( -27.836 -16.071 -57.026) 65.461 23.491 ( -48.095 -27.767 -10.413) 56.503 28.253 ( 14.080 8.129 5.320) 17.106 ======================= Grid point 443 (65/396) ======================= q-point: ( 0.05 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 7.209 61.963 39.358) 73.759 2.902 ( 24.111 61.610 29.676) 72.511 4.553 ( 66.486 73.964 54.227) 113.277 9.631 ( 8.277 0.840 -15.937) 17.978 10.521 ( 8.557 28.031 -35.265) 45.854 12.862 ( -4.180 -7.537 10.227) 13.374 13.063 ( 3.052 12.616 5.729) 14.188 14.461 ( -0.895 -6.176 41.012) 41.484 19.204 ( -1.630 -2.163 4.929) 5.625 20.176 ( -3.919 -2.906 -0.426) 4.897 20.606 ( -12.556 -17.174 -1.506) 21.328 21.011 ( 3.648 -2.998 -0.659) 4.767 22.136 ( -1.367 2.480 -39.772) 39.873 24.092 ( 10.320 32.841 -0.119) 34.425 28.138 ( 3.219 -12.117 1.456) 12.622 ======================= Grid point 444 (66/396) ======================= q-point: ( 0.10 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 31.560 49.360 26.750) 64.405 4.026 ( 33.309 63.082 10.498) 72.104 6.474 ( 75.153 65.949 39.162) 107.382 9.801 ( 9.564 2.639 -11.458) 15.156 10.894 ( 7.697 19.629 -26.705) 34.024 12.650 ( -6.272 -7.834 8.731) 13.302 13.329 ( 10.611 17.433 3.092) 20.641 14.868 ( 28.938 26.005 18.216) 42.959 19.152 ( -2.042 -2.119 0.416) 2.972 20.049 ( -7.536 -4.681 -2.011) 9.097 20.154 ( -18.543 -17.826 -0.204) 25.723 21.040 ( 3.557 -3.671 0.804) 5.175 22.043 ( -6.933 -5.480 -31.065) 32.298 24.464 ( 4.915 19.534 11.330) 23.111 28.089 ( 2.907 -10.359 0.768) 10.786 ======================= Grid point 445 (67/396) ======================= q-point: ( 0.15 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.723 ( 41.273 40.439 14.054) 59.467 5.226 ( 36.370 59.145 0.881) 69.438 8.307 ( 68.344 53.267 26.217) 90.530 10.010 ( 10.566 5.446 -6.943) 13.766 11.184 ( 6.917 16.607 -19.814) 26.762 12.598 ( 6.196 -0.237 6.514) 8.993 13.755 ( 16.678 21.562 2.057) 27.336 15.781 ( 41.951 32.288 12.056) 54.293 19.091 ( -2.730 -2.719 -4.438) 5.877 19.612 ( -19.989 -19.371 0.556) 27.841 19.870 ( -11.622 -3.277 -1.417) 12.158 21.057 ( 2.520 -3.492 1.470) 4.550 21.809 ( -11.501 -9.649 -25.412) 29.515 24.679 ( 1.609 13.476 12.326) 18.334 28.013 ( 0.130 -10.946 3.525) 11.501 ======================= Grid point 446 (68/396) ======================= q-point: ( 0.20 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.801 ( 42.010 33.158 5.935) 53.847 6.397 ( 35.815 53.149 -5.686) 64.342 9.665 ( 38.466 27.163 3.188) 47.198 10.284 ( 12.235 12.243 -0.837) 17.329 11.558 ( 19.008 20.751 -8.915) 29.520 12.897 ( 24.869 10.323 12.757) 29.796 14.306 ( 20.792 25.060 1.809) 32.612 16.860 ( 46.478 31.130 10.565) 56.929 18.935 ( -12.602 -11.417 -9.247) 19.356 19.181 ( -8.221 -8.681 3.184) 12.373 19.603 ( -15.906 -3.339 -1.659) 16.337 21.055 ( 0.866 -2.870 1.252) 3.249 21.474 ( -14.963 -12.160 -21.142) 28.613 24.785 ( -1.807 8.323 8.865) 12.293 27.872 ( -3.156 -12.573 6.935) 14.701 ======================= Grid point 447 (69/396) ======================= q-point: ( 0.25 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.774 ( 37.353 26.490 1.087) 45.806 7.456 ( 31.273 44.273 -10.500) 55.212 10.188 ( 13.044 5.662 -14.373) 20.218 10.619 ( 7.509 17.760 0.272) 19.284 12.177 ( 25.203 18.750 3.244) 31.580 13.703 ( 48.683 24.523 19.812) 58.000 14.938 ( 22.668 27.490 1.990) 35.686 17.852 ( 32.231 16.731 10.893) 37.914 18.593 ( -4.213 -6.285 -5.877) 9.580 19.101 ( 0.733 -1.711 -2.154) 2.847 19.273 ( -19.051 -1.921 -1.456) 19.203 21.026 ( -1.918 -2.988 -1.628) 3.906 21.081 ( -15.665 -11.831 -15.869) 25.242 24.776 ( -5.861 3.029 4.287) 7.867 27.658 ( -6.364 -14.536 9.972) 18.741 ======================= Grid point 448 (70/396) ======================= q-point: ( 0.30 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.575 ( 29.664 20.084 -1.681) 35.863 8.284 ( 21.428 31.096 -12.919) 39.912 10.420 ( 10.356 5.969 -17.236) 20.975 10.899 ( 5.579 17.847 2.190) 18.827 12.728 ( 21.752 14.651 8.125) 27.456 14.863 ( 53.116 25.139 18.097) 61.488 15.600 ( 22.291 28.728 2.472) 36.446 17.894 ( -10.944 -11.179 1.594) 15.725 18.787 ( -6.184 -5.205 -1.239) 8.177 19.006 ( -3.518 2.281 1.099) 4.335 19.330 ( 26.814 17.647 -0.684) 32.108 20.709 ( -11.536 -9.735 -15.293) 21.488 20.976 ( -3.612 -0.538 0.003) 3.652 24.647 ( -9.701 -1.841 -0.043) 9.874 27.374 ( -9.069 -16.275 12.427) 22.395 ======================= Grid point 449 (71/396) ======================= q-point: ( 0.35 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.173 ( 20.927 14.357 -3.046) 25.560 8.779 ( 10.000 16.437 -11.523) 22.426 10.692 ( 12.101 9.482 -15.297) 21.687 11.164 ( 4.468 18.374 4.248) 19.380 13.241 ( 21.716 15.119 9.559) 28.134 15.850 ( 37.612 14.067 11.284) 41.712 16.237 ( 19.227 27.100 3.073) 33.370 17.617 ( -8.874 -7.511 -2.943) 11.992 18.453 ( -19.611 -4.273 -1.440) 20.123 18.954 ( -3.292 -6.284 -0.050) 7.094 19.981 ( 22.912 11.779 -0.647) 25.770 20.623 ( 9.181 2.606 -6.368) 11.473 20.904 ( -4.969 1.553 -0.777) 5.264 24.429 ( -11.181 -4.897 -3.571) 12.717 27.040 ( -10.482 -17.128 14.365) 24.690 ======================= Grid point 450 (72/396) ======================= q-point: ( 0.40 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.575 ( 12.550 10.049 -3.247) 16.402 9.000 ( 4.278 6.994 -7.100) 10.846 10.972 ( 10.468 6.388 -9.529) 15.531 11.399 ( 0.297 20.244 3.467) 20.540 13.743 ( 18.750 14.187 8.321) 24.942 16.384 ( 15.482 2.674 6.872) 17.148 16.741 ( 13.347 19.475 0.621) 23.618 17.460 ( -5.296 -1.179 -7.453) 9.219 18.090 ( -18.816 -2.141 -0.732) 18.952 18.773 ( -6.649 -10.833 -6.849) 14.438 20.410 ( 20.969 9.141 3.300) 23.112 20.799 ( -1.988 0.199 -2.299) 3.046 20.974 ( 10.885 7.817 3.007) 13.735 24.216 ( -6.950 -4.266 -5.812) 10.014 26.703 ( -9.113 -16.158 15.790) 24.361 ======================= Grid point 451 (73/396) ======================= q-point: ( 0.45 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.806 ( 4.420 7.598 -2.196) 9.060 9.105 ( 3.960 1.515 -2.222) 4.787 11.157 ( 7.258 0.649 -2.567) 7.726 11.550 ( -6.836 20.938 1.461) 22.074 14.075 ( 5.367 6.763 5.805) 10.403 16.495 ( 1.178 -3.467 3.877) 5.333 17.072 ( 6.438 10.910 -4.945) 13.599 17.380 ( -6.098 2.524 -7.243) 9.799 17.821 ( -9.830 3.184 1.980) 10.520 18.557 ( -6.081 -10.849 -15.959) 20.233 20.755 ( -3.102 1.837 -2.401) 4.331 20.849 ( 16.856 3.911 6.406) 18.452 21.108 ( 0.630 1.809 7.523) 7.763 24.155 ( 2.991 -0.073 -4.977) 5.807 26.448 ( -3.271 -12.480 16.021) 20.570 ======================= Grid point 452 (74/396) ======================= q-point: (-0.50 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.867 ( -4.492 4.563 0.302) 6.410 9.186 ( 5.813 -1.696 1.369) 6.208 11.236 ( 3.103 -2.239 2.412) 4.523 11.568 ( -13.651 18.244 0.689) 22.796 13.991 ( -15.898 -5.504 2.358) 16.989 16.411 ( -5.164 -7.138 -0.079) 8.810 17.055 ( -20.544 6.384 -3.520) 21.799 17.377 ( 8.764 1.119 -8.753) 12.437 17.899 ( 6.817 12.184 4.628) 14.708 18.346 ( -6.293 -9.953 -22.805) 25.666 20.705 ( -4.409 -5.829 -0.873) 7.361 20.844 ( -8.015 0.613 2.846) 8.528 21.217 ( 3.867 -0.429 9.423) 10.195 24.315 ( 12.665 4.672 1.703) 13.606 26.371 ( 5.601 -7.131 13.358) 16.145 ======================= Grid point 453 (75/396) ======================= q-point: (-0.45 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.741 ( -12.064 -1.455 3.797) 12.731 9.249 ( 3.110 -2.858 3.694) 5.611 11.212 ( -5.518 0.203 3.219) 6.392 11.456 ( -15.113 10.104 3.271) 18.472 13.496 ( -28.659 -12.615 -1.791) 31.363 16.117 ( -18.777 -16.008 -4.337) 25.053 16.663 ( -29.134 2.766 -2.657) 29.386 17.553 ( 6.791 0.593 -2.785) 7.364 18.161 ( 9.805 4.522 -11.658) 15.890 18.254 ( 4.671 6.443 -11.695) 14.146 20.446 ( -12.109 -11.200 2.984) 16.762 20.830 ( -1.061 6.087 -1.046) 6.267 21.101 ( -9.947 -8.732 5.303) 14.258 24.649 ( 18.158 7.784 12.309) 23.277 26.478 ( 12.021 -3.198 7.141) 14.344 ======================= Grid point 454 (76/396) ======================= q-point: (-0.40 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.424 ( -19.648 -8.635 7.905) 22.871 9.181 ( -8.646 -4.856 5.784) 11.480 11.020 ( -19.980 4.662 -2.138) 20.627 11.291 ( -8.660 -1.765 10.167) 13.471 12.882 ( -26.874 -11.026 -5.432) 29.551 15.397 ( -40.779 -27.425 -6.687) 49.596 16.132 ( -34.155 -0.012 -2.306) 34.233 17.639 ( 6.515 -0.889 -2.037) 6.883 18.369 ( 10.812 4.965 -23.236) 26.105 18.554 ( 13.099 13.296 3.068) 18.915 20.035 ( -23.722 -15.303 2.335) 28.326 20.848 ( -0.143 -2.997 -1.368) 3.297 20.918 ( -1.642 3.205 1.457) 3.884 25.033 ( 16.797 7.344 22.682) 29.164 26.684 ( 14.094 -1.292 -1.388) 14.221 ======================= Grid point 455 (77/396) ======================= q-point: (-0.35 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.897 ( -28.230 -16.087 12.661) 34.872 8.794 ( -30.715 -8.001 8.710) 32.913 10.674 ( -21.406 -0.067 -6.226) 22.293 11.085 ( -12.892 -6.839 9.785) 17.570 12.442 ( -15.124 -4.000 -4.959) 16.411 14.258 ( -55.722 -31.963 -6.123) 64.529 15.529 ( -34.906 -2.198 -0.996) 34.989 17.747 ( 3.283 -1.519 -6.231) 7.205 18.559 ( 6.062 2.682 -13.011) 14.602 18.905 ( 13.527 9.294 0.645) 16.424 19.421 ( -25.418 -10.930 2.473) 27.779 20.915 ( 6.460 0.841 -5.115) 8.283 20.981 ( 5.452 4.170 -0.189) 6.867 25.324 ( 10.091 3.812 31.269) 33.078 26.919 ( 13.898 0.344 -10.118) 17.195 ======================= Grid point 456 (78/396) ======================= q-point: (-0.30 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.149 ( -36.958 -23.087 17.830) 47.083 7.990 ( -51.494 -10.602 11.655) 53.850 10.331 ( -16.771 -3.194 -10.786) 20.194 10.614 ( -33.401 -15.319 5.516) 37.158 12.285 ( -3.535 2.102 1.666) 4.437 13.012 ( -51.874 -27.034 -6.242) 58.828 14.916 ( -33.526 -3.596 0.801) 33.728 17.454 ( -31.891 -14.825 -8.535) 36.189 18.714 ( 14.755 2.265 1.033) 14.963 19.020 ( 0.948 -2.638 -5.748) 6.395 19.347 ( 9.021 14.059 1.608) 16.782 20.969 ( 0.718 0.664 -2.404) 2.595 21.234 ( 16.052 4.688 -8.868) 18.928 25.433 ( 1.157 -1.349 35.811) 35.855 27.162 ( 12.896 2.749 -15.742) 20.535 ======================= Grid point 457 (79/396) ======================= q-point: (-0.25 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.198 ( -44.545 -28.594 23.326) 57.844 6.894 ( -63.061 -11.841 13.629) 65.594 9.540 ( -67.052 -25.804 5.012) 72.020 10.057 ( -13.935 -1.784 -12.510) 18.811 12.054 ( -32.161 -12.711 4.747) 34.906 12.354 ( 3.811 0.104 -7.389) 8.315 14.331 ( -30.243 -4.418 2.679) 30.681 16.562 ( -48.238 -17.851 -3.188) 51.534 19.028 ( 7.070 0.039 -5.441) 8.922 19.144 ( 21.702 6.380 2.204) 22.728 19.654 ( 10.816 11.021 0.534) 15.451 20.974 ( 0.082 -0.650 -2.220) 2.315 21.564 ( 16.605 4.473 -14.989) 22.813 25.340 ( -7.353 -6.437 34.796) 36.142 27.409 ( 11.294 5.557 -16.364) 20.645 ======================= Grid point 458 (80/396) ======================= q-point: (-0.20 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( -50.167 -30.800 29.729) 65.948 5.644 ( -68.495 -14.272 14.498) 71.452 7.937 ( -89.589 -22.296 14.697) 93.484 9.838 ( -10.853 -0.025 -15.413) 18.851 11.490 ( -22.449 -10.292 -7.738) 25.880 12.481 ( 8.456 1.641 1.322) 8.715 13.811 ( -25.371 -4.886 4.204) 26.177 15.580 ( -47.710 -12.281 3.307) 49.377 19.101 ( 3.347 0.436 -2.475) 4.186 19.658 ( 28.064 6.081 1.125) 28.737 19.912 ( 9.031 6.945 0.383) 11.399 20.967 ( 0.108 -0.724 -2.371) 2.481 21.864 ( 13.883 2.885 -20.968) 25.312 25.069 ( -14.433 -10.356 28.701) 33.753 27.653 ( 9.500 8.222 -12.774) 17.917 ======================= Grid point 459 (81/396) ======================= q-point: (-0.15 0.05 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -53.006 -28.012 38.367) 71.178 4.288 ( -71.340 -19.572 13.973) 75.284 6.171 ( -99.145 -5.507 31.249) 104.099 9.692 ( -7.903 2.992 -16.551) 18.583 11.026 ( -22.173 -9.296 -19.863) 31.187 12.664 ( 11.791 0.536 7.060) 13.754 13.380 ( -19.443 -4.921 5.065) 20.686 14.774 ( -35.447 -3.164 14.789) 38.538 19.158 ( 2.900 0.204 1.256) 3.167 20.079 ( 8.068 1.559 -0.788) 8.255 20.190 ( 25.171 4.062 0.690) 25.506 20.972 ( 0.467 1.122 -2.147) 2.467 22.076 ( 8.565 0.281 -28.184) 29.458 24.654 ( -21.368 -12.240 17.266) 30.075 27.895 ( 8.394 10.160 -6.198) 14.563 ======================= Grid point 464 (82/396) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 19.107 54.004 26.878) 63.276 5.364 ( 24.900 69.681 2.846) 74.051 7.840 ( 55.202 71.729 25.017) 93.905 9.890 ( 9.680 6.742 -11.916) 16.767 11.303 ( 2.902 22.229 -16.126) 27.615 12.518 ( -0.186 -5.704 5.552) 7.962 13.747 ( 12.083 24.758 2.690) 27.680 15.516 ( 29.110 38.851 8.927) 49.360 19.103 ( -2.042 -2.985 -2.968) 4.678 19.702 ( -15.616 -24.282 0.415) 28.873 19.980 ( -4.943 -5.963 0.124) 7.746 20.979 ( 1.868 -2.153 -1.553) 3.247 21.876 ( -8.352 -11.316 -23.658) 27.523 24.850 ( -1.958 18.771 19.559) 27.180 27.844 ( 3.875 -14.027 -3.760) 15.031 ======================= Grid point 465 (83/396) ======================= q-point: ( 0.15 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.577 ( 28.531 45.500 16.211) 56.099 6.466 ( 26.303 64.678 -4.462) 69.964 9.311 ( 43.193 46.634 11.160) 64.536 10.170 ( 14.209 11.918 -3.645) 18.901 11.586 ( 5.271 24.701 -14.335) 29.041 12.615 ( 15.479 2.303 10.805) 19.017 14.266 ( 16.896 30.040 1.185) 34.486 16.466 ( 37.488 36.779 7.640) 53.070 18.999 ( -7.178 -8.755 -8.456) 14.131 19.228 ( -11.470 -16.856 3.360) 20.664 19.806 ( -10.127 -3.626 -0.583) 10.773 20.991 ( 2.322 -2.762 -1.318) 3.841 21.577 ( -12.094 -13.783 -19.676) 26.895 24.954 ( -4.666 13.514 16.541) 21.864 27.738 ( 1.104 -16.619 0.708) 16.671 ======================= Grid point 466 (84/396) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.492 ( 30.762 36.491 8.376) 48.457 7.494 ( 23.721 56.030 -9.377) 61.563 10.052 ( 13.759 14.708 -11.903) 23.394 10.633 ( 15.344 21.459 5.333) 26.914 12.025 ( 16.091 25.252 -4.475) 30.276 13.162 ( 38.833 17.723 17.710) 46.214 14.894 ( 19.262 34.347 0.487) 39.383 17.445 ( 37.364 26.672 8.144) 46.624 18.644 ( -12.250 -14.939 -4.765) 19.898 19.072 ( -0.685 -4.080 -2.786) 4.988 19.567 ( -15.198 -0.642 -0.599) 15.223 20.998 ( 1.275 -3.087 -3.044) 4.519 21.209 ( -14.179 -13.994 -14.849) 24.847 24.951 ( -8.104 7.785 11.553) 16.117 27.554 ( -1.854 -19.530 5.083) 20.266 ======================= Grid point 467 (85/396) ======================= q-point: ( 0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.311 ( 27.841 27.880 3.046) 39.518 8.326 ( 16.480 41.318 -11.671) 45.989 10.336 ( 8.633 11.093 -17.187) 22.203 11.012 ( 6.134 21.828 3.574) 22.953 12.541 ( 18.609 18.911 4.574) 26.922 14.200 ( 52.735 25.526 17.783) 61.228 15.575 ( 19.217 36.707 0.347) 41.434 17.902 ( -1.060 -9.296 4.597) 10.425 18.647 ( 17.183 8.750 -1.072) 19.312 19.054 ( 2.558 -3.543 -4.053) 5.960 19.332 ( -10.806 8.435 0.115) 13.709 20.801 ( -12.388 -14.028 -15.928) 24.575 21.016 ( -1.367 0.246 0.432) 1.454 24.830 ( -11.668 1.965 6.290) 13.400 27.294 ( -4.405 -22.233 8.739) 24.291 ======================= Grid point 468 (86/396) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.972 ( 21.889 20.292 -0.446) 29.851 8.835 ( 6.691 22.761 -10.148) 25.804 10.614 ( 9.630 13.299 -16.991) 23.629 11.327 ( 3.800 26.698 4.160) 27.286 13.049 ( 19.912 18.695 7.901) 28.433 15.288 ( 46.292 18.432 12.417) 51.351 16.241 ( 16.537 34.842 0.195) 38.568 17.672 ( -7.564 -10.280 0.413) 12.769 18.714 ( -11.342 -2.221 -1.711) 11.683 18.956 ( -5.897 -6.490 -1.034) 8.830 19.690 ( 24.976 16.361 0.677) 29.866 20.549 ( -1.884 -6.090 -10.569) 12.343 20.999 ( -2.847 3.350 -0.378) 4.413 24.603 ( -13.933 -2.826 1.558) 14.302 26.975 ( -6.070 -24.093 11.625) 27.431 ======================= Grid point 469 (87/396) ======================= q-point: ( 0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.453 ( 15.053 13.942 -2.650) 20.688 9.050 ( 0.867 10.985 -5.578) 12.350 10.880 ( 8.303 8.044 -10.895) 15.886 11.665 ( 0.401 33.458 1.527) 33.495 13.579 ( 19.478 19.557 7.760) 28.672 16.059 ( 28.204 7.472 6.257) 29.840 16.760 ( 9.406 23.011 -2.662) 25.001 17.532 ( -2.644 1.381 -1.626) 3.398 18.425 ( -19.519 1.008 -1.188) 19.581 18.751 ( -6.351 -14.155 -3.297) 15.861 20.154 ( 18.082 6.574 -0.091) 19.240 20.676 ( 13.719 1.274 -1.973) 13.919 21.007 ( -1.824 9.190 0.683) 9.394 24.332 ( -12.225 -4.958 -2.217) 13.377 26.630 ( -5.894 -24.294 13.824) 28.566 ======================= Grid point 470 (88/396) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.769 ( 9.394 8.964 -3.543) 13.460 9.123 ( -1.700 6.207 -0.412) 6.449 11.049 ( 6.492 1.334 -3.613) 7.549 11.956 ( -7.314 35.668 -0.866) 36.420 14.037 ( 11.514 15.807 5.626) 20.349 16.390 ( 8.732 -1.404 3.237) 9.418 17.022 ( 6.977 5.600 -10.829) 14.046 17.583 ( -4.290 16.491 0.521) 17.048 18.110 ( -18.890 3.939 -0.035) 19.296 18.505 ( -4.013 -16.034 -10.331) 19.492 20.547 ( 21.194 3.628 5.130) 22.106 20.794 ( 1.281 -1.644 -1.708) 2.694 21.135 ( 1.733 10.007 5.071) 11.351 24.142 ( -3.893 -3.212 -4.116) 6.513 26.326 ( -2.257 -21.905 15.112) 26.708 ======================= Grid point 471 (89/396) ======================= q-point: ( 0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.967 ( 4.634 7.276 -2.946) 9.116 9.115 ( -3.360 1.110 3.581) 5.035 11.142 ( 5.199 -2.101 1.359) 5.770 12.092 ( -16.871 33.374 -0.836) 37.405 14.187 ( -7.765 4.788 2.382) 9.429 16.405 ( -1.493 -5.344 0.314) 5.557 17.185 ( 10.965 0.336 -13.552) 17.436 17.554 ( -21.231 15.016 0.265) 26.006 17.984 ( -2.360 11.579 2.403) 12.059 18.304 ( -2.643 -13.559 -16.931) 21.851 20.701 ( -1.686 -9.470 -0.689) 9.644 20.879 ( 7.483 1.651 5.139) 9.226 21.201 ( -2.305 7.277 7.750) 10.878 24.164 ( 7.812 1.132 -1.375) 8.013 26.157 ( 5.502 -16.946 14.280) 22.833 ======================= Grid point 473 (90/396) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.963 ( -12.706 3.406 3.944) 13.733 9.133 ( 6.848 -1.796 0.797) 7.124 11.190 ( 3.293 -2.805 4.126) 5.978 12.031 ( -25.967 28.216 0.791) 38.355 13.873 ( -26.234 -6.006 -1.459) 26.952 16.233 ( -10.935 -10.930 -3.507) 15.853 17.233 ( -26.906 9.513 0.486) 28.542 17.415 ( 9.015 3.701 -8.478) 12.916 18.052 ( 3.274 -5.763 -18.587) 19.733 18.266 ( 3.717 11.510 -1.792) 12.227 20.499 ( -7.823 -12.450 1.520) 14.782 20.926 ( -1.852 2.123 2.152) 3.545 21.170 ( -6.867 -1.489 6.170) 9.352 24.414 ( 16.714 5.662 7.237) 19.073 26.183 ( 13.707 -11.832 9.869) 20.622 ======================= Grid point 474 (91/396) ======================= q-point: (-0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.686 ( -18.824 -4.813 7.483) 20.821 9.202 ( 1.558 -0.900 0.850) 1.990 11.192 ( -0.561 -2.413 4.228) 4.901 11.761 ( -33.346 19.564 3.787) 38.846 13.286 ( -31.320 -7.942 -4.645) 32.643 15.748 ( -28.999 -21.134 -5.958) 36.374 16.792 ( -36.165 9.548 -1.733) 37.444 17.510 ( 5.329 -4.520 -2.262) 7.345 18.199 ( 14.333 3.819 -24.422) 28.574 18.516 ( 8.086 15.092 2.718) 17.336 20.212 ( -13.235 -12.436 1.983) 18.269 20.837 ( -4.967 -9.374 1.040) 10.660 21.030 ( -6.658 5.575 2.375) 9.003 24.796 ( 19.080 7.267 17.753) 27.056 26.362 ( 18.094 -8.288 2.394) 20.046 ======================= Grid point 475 (92/396) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.225 ( -26.274 -11.349 10.687) 30.551 9.117 ( -12.133 -1.526 1.743) 12.352 11.079 ( -13.563 -1.875 -3.900) 14.236 11.323 ( -29.217 6.476 10.514) 31.719 12.749 ( -24.354 -1.817 -4.954) 24.919 14.845 ( -47.281 -27.543 -5.177) 54.963 16.209 ( -40.926 6.895 -2.006) 41.551 17.608 ( 9.643 -1.938 -2.616) 10.178 18.473 ( 9.606 5.537 -18.277) 21.377 18.805 ( 9.836 10.487 0.471) 14.385 19.747 ( -24.716 -12.037 2.810) 27.634 20.760 ( 6.639 -4.892 -3.515) 8.965 21.019 ( -2.404 4.959 1.521) 5.717 25.153 ( 14.700 4.669 26.898) 31.006 26.616 ( 19.084 -4.775 -5.931) 20.547 ======================= Grid point 476 (93/396) ======================= q-point: (-0.35 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.568 ( -34.998 -16.310 14.320) 41.181 8.694 ( -36.112 -3.068 3.727) 36.433 10.666 ( -25.557 -3.045 -11.448) 28.169 10.961 ( -20.989 -3.722 10.576) 23.796 12.446 ( -12.891 4.039 -1.890) 13.641 13.686 ( -55.790 -24.743 -1.941) 61.062 15.561 ( -41.165 4.117 -0.833) 41.379 17.688 ( -4.314 -3.631 -5.636) 7.972 18.572 ( 0.974 -1.535 -4.878) 5.206 18.961 ( 2.848 -2.008 -5.735) 6.711 19.421 ( -3.902 9.089 3.008) 10.338 20.912 ( 10.300 -1.331 -9.438) 14.033 21.050 ( 4.528 2.411 1.225) 5.274 25.357 ( 6.597 -0.865 31.908) 32.594 26.912 ( 18.254 0.071 -11.391) 21.517 ======================= Grid point 477 (94/396) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.722 ( -43.884 -18.607 18.313) 51.063 7.842 ( -56.918 -6.481 4.750) 57.483 10.206 ( -27.995 -11.211 -12.492) 32.642 10.432 ( -34.062 0.213 7.556) 34.891 12.349 ( -4.804 -0.645 -7.549) 8.972 12.597 ( -45.441 -9.985 7.589) 47.139 14.905 ( -38.550 1.113 0.616) 38.571 17.206 ( -40.610 -8.421 -3.122) 41.591 18.727 ( 19.752 -0.714 0.238) 19.766 19.013 ( 4.468 1.124 -6.122) 7.662 19.605 ( 7.861 10.847 1.052) 13.438 20.964 ( 0.365 -1.023 -3.850) 4.000 21.294 ( 17.924 1.285 -10.501) 20.814 25.357 ( -2.006 -6.611 31.220) 31.976 27.231 ( 16.051 5.120 -11.751) 20.541 ======================= Grid point 478 (95/396) ======================= q-point: (-0.25 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.731 ( -51.395 -17.054 22.610) 58.682 6.687 ( -67.585 -11.066 3.754) 68.588 9.210 ( -71.667 -5.792 10.319) 72.637 10.071 ( -15.647 3.146 -9.296) 18.470 11.800 ( -27.203 -12.683 -10.741) 31.878 12.425 ( 0.113 6.810 7.164) 9.885 14.286 ( -33.736 -1.276 1.865) 33.811 16.350 ( -50.205 -2.736 2.380) 50.336 19.022 ( 8.304 -0.664 -6.930) 10.836 19.226 ( 23.813 1.960 2.862) 24.065 19.827 ( 8.368 4.998 0.274) 9.751 20.958 ( 0.226 -0.214 -2.654) 2.673 21.610 ( 17.579 0.242 -17.381) 24.722 25.172 ( -9.445 -10.465 26.506) 30.022 27.550 ( 13.092 8.882 -8.517) 17.968 ======================= Grid point 486 (96/396) ======================= q-point: ( 0.15 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.470 ( 18.536 44.604 14.977) 50.571 7.683 ( 21.520 57.185 -4.106) 61.238 10.038 ( 11.089 27.084 -10.403) 31.060 10.524 ( 21.734 23.708 8.019) 33.147 12.140 ( 2.889 28.744 -12.596) 31.516 12.746 ( 28.390 15.074 17.091) 36.405 14.915 ( 19.752 35.501 -0.083) 40.626 17.181 ( 27.269 34.185 3.252) 43.850 18.697 ( -12.455 -17.211 -2.702) 21.416 19.042 ( -1.182 -5.282 -4.147) 6.818 19.714 ( -4.486 -5.851 0.388) 7.383 20.955 ( 0.291 -1.222 -4.506) 4.677 21.284 ( -11.385 -15.247 -12.512) 22.773 25.177 ( -7.953 8.626 21.505) 24.498 27.374 ( -1.144 -20.090 -3.006) 20.346 ======================= Grid point 487 (97/396) ======================= q-point: ( 0.20 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.204 ( 20.835 35.402 8.664) 41.982 8.488 ( 14.252 42.123 -8.347) 45.246 10.363 ( 5.323 19.069 -17.512) 26.431 11.061 ( 14.134 21.908 8.805) 27.518 12.498 ( 10.587 22.575 -1.884) 25.005 13.626 ( 44.425 29.556 15.747) 55.634 15.629 ( 19.946 39.642 -1.591) 44.406 17.764 ( 10.602 1.602 4.336) 11.565 18.514 ( 6.250 5.776 -1.897) 8.719 18.983 ( 0.059 -5.555 -6.787) 8.771 19.572 ( -8.399 1.399 1.031) 8.577 20.844 ( -9.229 -13.910 -15.326) 22.662 21.043 ( -2.305 -0.795 0.952) 2.617 25.067 ( -12.092 3.604 15.506) 19.991 27.118 ( -3.079 -24.474 2.193) 24.764 ======================= Grid point 488 (98/396) ======================= q-point: ( 0.25 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.851 ( 18.943 26.695 3.917) 32.967 8.964 ( 5.153 22.173 -7.954) 24.113 10.641 ( 5.216 18.095 -17.428) 25.659 11.504 ( 9.813 30.160 6.097) 32.297 12.951 ( 15.814 23.498 3.837) 28.582 14.689 ( 46.468 24.028 11.997) 53.671 16.334 ( 16.176 38.999 -3.267) 42.347 17.668 ( -4.767 -11.834 2.710) 13.043 18.770 ( 1.832 2.456 -1.529) 3.424 18.946 ( 2.663 -7.392 -5.448) 9.561 19.579 ( 5.281 14.893 2.110) 15.941 20.543 ( -7.285 -11.556 -11.667) 17.965 21.059 ( 0.113 4.369 0.440) 4.393 24.842 ( -15.650 -0.884 9.486) 18.322 26.796 ( -4.105 -28.143 6.627) 29.203 ======================= Grid point 489 (99/396) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.358 ( 14.305 18.470 0.319) 23.364 9.157 ( 0.286 11.226 -4.090) 11.951 10.858 ( 4.102 9.223 -10.833) 14.807 11.998 ( 5.542 41.906 -0.064) 42.271 13.482 ( 17.626 25.560 5.578) 31.545 15.595 ( 36.863 12.934 6.265) 39.565 16.859 ( 6.014 22.969 -7.367) 24.860 17.566 ( 1.606 3.181 3.373) 4.906 18.655 ( -7.936 -7.113 -3.362) 11.175 18.794 ( -11.834 -6.354 -1.599) 13.527 19.935 ( 15.272 8.696 0.125) 17.574 20.473 ( 8.328 -2.206 -4.744) 9.835 21.123 ( -0.269 9.435 0.596) 9.458 24.537 ( -16.669 -3.823 4.047) 17.574 26.439 ( -3.748 -30.133 10.205) 32.034 ======================= Grid point 490 (100/396) ======================= q-point: ( 0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.695 ( 9.216 9.748 -1.958) 13.557 9.245 ( -1.785 10.403 0.666) 10.576 10.970 ( 3.819 0.914 -3.931) 5.556 12.461 ( -3.426 46.217 -3.910) 46.509 14.013 ( 14.160 24.542 4.788) 28.736 16.156 ( 19.751 2.915 1.416) 20.015 16.982 ( 0.339 -0.323 -12.340) 12.349 17.778 ( 4.594 19.917 2.201) 20.558 18.422 ( -6.700 -13.353 -4.752) 15.677 18.494 ( -19.241 2.855 -0.353) 19.455 20.240 ( 16.818 1.523 1.874) 16.991 20.656 ( 10.754 -2.988 -0.406) 11.169 21.250 ( 0.751 15.217 2.686) 15.470 24.240 ( -12.097 -4.198 -0.189) 12.806 26.099 ( -1.066 -29.397 12.790) 32.077 ======================= Grid point 491 (101/396) ======================= q-point: ( 0.40 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.884 ( 6.870 2.258 -1.317) 7.351 9.293 ( -6.103 11.693 3.043) 13.536 11.027 ( 4.840 -3.404 0.766) 5.967 12.756 ( -14.877 44.662 -3.781) 47.226 14.359 ( -0.273 16.737 1.976) 16.856 16.351 ( 4.143 -2.195 -0.302) 4.698 16.992 ( 7.073 -6.314 -15.265) 17.969 17.970 ( -0.061 5.857 -5.066) 7.744 18.177 ( -17.126 3.230 -2.985) 17.681 18.282 ( -7.228 6.733 -0.433) 9.887 20.496 ( 13.237 -9.325 3.239) 16.512 20.750 ( 6.410 -2.312 2.611) 7.298 21.389 ( -4.126 15.522 4.835) 16.773 24.095 ( -0.500 -1.396 -1.389) 2.032 25.857 ( 5.080 -25.510 13.667) 29.383 ======================= Grid point 492 (102/396) ======================= q-point: (-0.55 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.989 ( 5.575 -3.190 2.244) 6.804 9.250 ( -11.482 10.690 2.074) 15.824 11.077 ( 5.560 -4.307 3.554) 7.879 12.821 ( -26.376 39.748 -1.453) 47.725 14.268 ( -21.674 3.603 -2.159) 22.077 16.288 ( -6.119 -6.732 -3.053) 9.596 17.146 ( 15.207 -3.246 -9.415) 18.178 17.888 ( -9.252 -10.728 -14.096) 19.985 17.915 ( -15.289 12.758 -6.674) 21.001 18.374 ( 0.040 17.524 3.849) 17.941 20.453 ( -1.176 -14.291 1.387) 14.406 20.851 ( 6.491 -5.539 5.474) 10.138 21.385 ( -11.477 10.990 4.536) 16.525 24.211 ( 12.198 4.054 3.419) 13.301 25.791 ( 13.643 -20.041 11.328) 26.760 ======================= Grid point 493 (103/396) ======================= q-point: (-0.50 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.920 ( -10.783 -5.970 8.081) 14.739 9.197 ( -2.591 6.499 -1.975) 7.270 11.124 ( 4.194 -3.808 4.385) 7.164 12.628 ( -37.575 30.735 1.859) 48.580 13.781 ( -32.617 -2.518 -5.527) 33.178 15.979 ( -19.328 -14.920 -5.360) 24.998 17.315 ( 4.799 -1.390 2.155) 5.441 17.526 ( -27.035 3.948 -9.696) 28.992 17.984 ( 12.228 5.862 -20.527) 24.602 18.567 ( 3.384 15.083 2.973) 15.741 20.257 ( -6.185 -11.420 1.650) 13.092 20.798 ( -2.287 -12.583 3.510) 13.262 21.256 ( -12.326 7.595 2.955) 14.777 24.546 ( 18.487 7.809 12.908) 23.861 25.916 ( 20.616 -14.959 5.200) 25.997 ======================= Grid point 494 (104/396) ======================= q-point: (-0.45 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.556 ( -22.869 -7.689 9.226) 25.831 9.218 ( -1.948 1.935 -1.976) 3.383 11.123 ( -0.502 -4.407 1.944) 4.842 12.136 ( -46.384 16.043 4.572) 49.293 13.225 ( -30.653 2.750 -5.627) 31.287 15.320 ( -36.546 -20.954 -4.324) 42.348 16.996 ( -39.647 9.520 -4.240) 40.994 17.417 ( 9.020 -3.529 -0.764) 9.715 18.327 ( 15.452 8.918 -19.059) 26.106 18.772 ( 5.793 9.412 0.871) 11.086 19.987 ( -15.230 -9.243 2.547) 17.997 20.623 ( 0.185 -10.993 -1.035) 11.043 21.152 ( -7.583 5.041 2.311) 9.394 24.929 ( 17.090 5.610 22.394) 28.724 26.181 ( 24.002 -8.971 -2.541) 25.749 ======================= Grid point 495 (105/396) ======================= q-point: (-0.40 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.007 ( -31.359 -9.974 10.813) 34.638 9.103 ( -14.670 -0.624 -2.213) 14.849 10.965 ( -13.274 -8.452 -8.694) 17.978 11.472 ( -39.808 6.753 9.912) 41.575 12.814 ( -23.727 7.212 -2.638) 24.939 14.383 ( -49.604 -17.083 0.090) 52.463 16.354 ( -44.334 6.349 -3.263) 44.905 17.582 ( 11.030 -0.090 -0.803) 11.059 18.587 ( 3.314 6.184 -12.387) 14.236 18.896 ( 2.678 -1.294 -3.269) 4.419 19.635 ( -14.647 0.415 3.763) 15.129 20.660 ( 12.447 -5.130 -7.399) 15.362 21.085 ( -4.091 1.610 2.194) 4.913 25.195 ( 11.028 -1.292 27.139) 29.323 26.544 ( 24.181 -1.138 -7.049) 25.213 ======================= Grid point 496 (106/396) ======================= q-point: (-0.35 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.301 ( -39.920 -9.917 12.881) 43.103 8.626 ( -39.712 -4.887 -2.618) 40.097 10.518 ( -23.258 -9.826 -16.797) 30.325 10.986 ( -28.005 4.627 12.387) 30.969 12.533 ( -16.453 1.795 -3.707) 16.961 13.386 ( -52.839 -2.316 8.287) 53.535 15.636 ( -44.358 2.244 -1.610) 44.444 17.655 ( -10.848 1.586 -0.784) 10.992 18.522 ( -2.386 -2.438 -1.217) 3.622 18.945 ( 4.930 0.826 -8.240) 9.638 19.594 ( 2.619 5.505 1.925) 6.392 20.872 ( 12.965 -2.110 -12.924) 18.428 21.068 ( 3.984 -0.514 1.310) 4.225 25.273 ( 3.647 -7.815 25.828) 27.230 26.961 ( 21.748 5.506 -6.320) 23.308 ======================= Grid point 507 (107/396) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.863 ( 13.186 31.274 8.191) 34.915 9.067 ( 5.925 17.207 -5.278) 18.948 10.782 ( 0.759 19.721 -14.831) 24.687 11.556 ( 19.641 31.472 9.069) 38.190 12.930 ( 15.657 22.097 -0.837) 27.094 14.288 ( 31.845 36.644 8.010) 49.204 16.410 ( 21.152 38.739 -4.753) 44.392 17.614 ( -3.189 -11.455 2.365) 12.124 18.717 ( 10.513 5.635 -4.038) 12.593 18.849 ( -3.739 -5.853 -7.597) 10.293 19.653 ( 3.012 7.968 3.259) 9.120 20.575 ( -10.292 -11.756 -10.702) 18.938 21.089 ( 1.602 4.591 1.711) 5.155 25.081 ( -12.941 -2.390 19.543) 23.561 26.607 ( -7.091 -27.116 -1.007) 28.046 ======================= Grid point 508 (108/396) ======================= q-point: ( 0.25 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.341 ( 11.269 22.548 4.264) 25.565 9.237 ( 1.857 8.128 -3.259) 8.951 10.918 ( -0.609 8.354 -8.008) 11.588 12.250 ( 16.041 44.977 0.145) 47.752 13.467 ( 17.232 28.592 1.122) 33.402 15.139 ( 33.189 21.722 5.254) 40.012 16.988 ( 5.049 21.538 -11.223) 24.806 17.531 ( 5.581 1.932 5.977) 8.403 18.679 ( -5.305 -11.481 -7.295) 14.601 18.844 ( 1.050 -1.731 -1.547) 2.548 19.855 ( 6.769 12.320 3.138) 14.403 20.371 ( -1.519 -5.649 -6.838) 8.999 21.193 ( 2.741 9.283 1.466) 9.789 24.795 ( -16.688 -3.739 12.831) 21.380 26.203 ( -5.839 -31.869 4.035) 32.649 ======================= Grid point 509 (109/396) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.664 ( 6.624 11.580 1.143) 13.390 9.354 ( 1.903 10.890 0.922) 11.094 10.944 ( -0.440 -0.220 -2.748) 2.791 12.924 ( 6.578 50.537 -6.097) 51.327 14.044 ( 14.988 31.161 2.433) 34.663 15.802 ( 26.447 8.290 0.352) 27.718 17.006 ( -5.213 -3.356 -11.500) 13.064 17.778 ( 8.337 4.838 -0.773) 9.670 18.488 ( -7.440 0.595 -1.800) 7.678 18.775 ( -7.894 2.322 -0.006) 8.228 20.044 ( 7.183 2.372 1.348) 7.684 20.432 ( 10.666 -2.258 -1.545) 11.012 21.369 ( 3.633 15.439 2.169) 16.008 24.461 ( -17.495 -3.656 6.370) 18.974 25.806 ( -2.075 -33.941 8.550) 35.062 ======================= Grid point 510 (110/396) ======================= q-point: ( 0.35 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.813 ( 4.010 2.518 0.912) 4.822 9.499 ( -1.569 15.548 3.136) 15.938 10.922 ( 1.929 -5.524 0.774) 5.902 13.425 ( -6.953 50.754 -7.611) 51.790 14.532 ( 5.729 27.908 1.661) 28.539 16.190 ( 14.542 0.782 -3.097) 14.889 16.863 ( -2.562 -10.338 -13.785) 17.420 17.769 ( 4.538 -22.121 -8.749) 24.217 18.499 ( -5.990 18.695 3.252) 19.899 18.659 ( -14.957 15.499 1.557) 21.595 20.176 ( 11.554 -8.770 2.782) 14.770 20.584 ( 9.428 -3.822 1.100) 10.233 21.597 ( 1.077 19.844 3.512) 20.181 24.172 ( -11.077 -2.585 1.786) 11.514 25.494 ( 4.032 -31.749 11.549) 34.024 ======================= Grid point 511 (111/396) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.882 ( 4.016 -1.612 2.720) 5.112 9.558 ( -9.646 14.329 2.870) 17.510 10.924 ( 5.800 -6.780 3.174) 9.470 13.665 ( -21.528 46.828 -5.198) 51.801 14.678 ( -15.573 15.128 -2.559) 21.862 16.313 ( -1.138 -1.802 -2.992) 3.673 16.820 ( 14.009 -10.303 -13.418) 21.965 17.619 ( 5.835 -24.535 -14.239) 28.962 18.482 ( -15.600 14.810 -0.503) 21.516 18.644 ( -10.910 24.922 5.346) 27.726 20.233 ( 8.968 -15.716 3.074) 18.354 20.675 ( 6.771 -5.973 3.520) 9.691 21.716 ( -9.999 16.819 4.045) 19.980 24.099 ( 4.000 2.293 2.059) 5.050 25.340 ( 11.971 -26.626 11.497) 31.376 ======================= Grid point 513 (112/396) ======================= q-point: (-0.55 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.911 ( 1.780 -4.199 4.785) 6.610 9.458 ( -14.727 9.688 1.498) 17.692 10.982 ( 7.296 -5.045 4.129) 9.784 13.594 ( -36.035 36.601 -0.791) 51.370 14.337 ( -31.619 3.953 -7.469) 32.729 16.125 ( -12.862 -10.252 -5.124) 17.228 17.079 ( 17.267 -3.386 -3.934) 18.031 17.532 ( 10.133 -16.125 -19.850) 27.508 18.329 ( -22.415 21.624 -2.390) 31.237 18.709 ( -4.186 14.485 3.825) 15.555 20.187 ( 2.069 -11.633 2.565) 12.091 20.670 ( 2.217 -12.114 3.825) 12.895 21.594 ( -17.346 9.283 3.331) 19.954 24.337 ( 15.333 8.862 8.750) 19.753 25.384 ( 20.641 -20.864 7.157) 30.208 ======================= Grid point 514 (113/396) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.796 ( -11.312 -6.020 6.933) 14.570 9.318 ( -8.408 5.136 -0.955) 9.898 11.046 ( 4.528 -3.957 2.806) 6.636 13.118 ( -49.321 15.132 1.329) 51.607 13.829 ( -33.196 8.970 -7.299) 35.153 15.676 ( -25.569 -14.130 -4.023) 29.489 17.217 ( 7.673 -6.977 -4.154) 11.172 17.572 ( -8.290 3.003 -9.396) 12.885 18.260 ( -2.645 17.825 -9.702) 20.466 18.788 ( 1.243 6.264 1.378) 6.533 20.084 ( -4.900 -5.396 2.834) 7.820 20.523 ( -2.250 -13.947 0.734) 14.146 21.382 ( -14.225 4.400 2.841) 15.159 24.701 ( 16.142 6.423 18.086) 25.078 25.636 ( 27.738 -11.593 -0.121) 30.063 ======================= Grid point 515 (114/396) ======================= q-point: (-0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.416 ( -25.014 -5.924 7.674) 26.826 9.251 ( -5.273 0.829 -2.923) 6.085 11.024 ( -3.001 -5.554 -2.902) 6.948 12.317 ( -51.133 2.220 2.434) 51.239 13.373 ( -31.655 9.142 -3.120) 33.096 15.018 ( -38.353 -6.666 0.709) 38.934 17.081 ( -29.006 -1.651 -11.607) 31.286 17.430 ( 2.115 4.893 5.781) 7.864 18.533 ( 11.972 11.275 -13.250) 21.119 18.850 ( 1.650 -0.711 -0.730) 1.939 19.881 ( -14.062 -2.123 4.096) 14.800 20.433 ( 6.116 -7.443 -4.988) 10.848 21.209 ( -9.185 0.860 2.311) 9.510 24.966 ( 12.936 -3.319 21.814) 25.578 26.079 ( 29.628 0.354 -3.055) 29.788 ======================= Grid point 529 (115/396) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.699 ( 3.340 12.844 4.416) 13.987 9.382 ( 6.225 8.705 0.217) 10.704 10.977 ( -4.134 -1.443 -0.063) 4.380 13.183 ( 20.486 47.957 -4.117) 52.311 14.035 ( 23.568 27.960 -2.680) 36.666 15.544 ( 15.675 19.653 -0.785) 25.151 17.089 ( -8.482 -3.614 -9.152) 12.991 17.661 ( 5.397 -2.343 -4.686) 7.522 18.538 ( 9.272 3.206 -4.286) 10.706 18.822 ( -0.704 -0.405 0.143) 0.824 20.034 ( 1.112 4.900 4.733) 6.903 20.331 ( -1.923 2.003 -3.301) 4.313 21.420 ( 7.326 13.659 2.561) 15.710 24.698 ( -12.956 -6.301 15.521) 21.177 25.569 ( -11.090 -31.699 1.333) 33.609 ======================= Grid point 530 (116/396) ======================= q-point: ( 0.30 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.799 ( 0.812 2.867 3.166) 4.347 9.623 ( 5.980 16.161 2.944) 17.481 10.868 ( -3.190 -7.032 1.682) 7.903 13.918 ( 8.632 49.425 -9.046) 50.982 14.677 ( 15.372 32.351 -1.123) 35.835 15.924 ( 15.196 4.270 -4.829) 16.506 16.880 ( -9.535 -8.281 -10.095) 16.168 17.488 ( -1.632 -27.080 -8.670) 28.481 18.758 ( -4.181 14.662 1.507) 15.321 18.901 ( 6.611 13.901 2.041) 15.527 20.006 ( -1.744 -6.718 4.189) 8.107 20.399 ( 7.150 -0.612 -0.924) 7.235 21.721 ( 7.752 20.099 2.960) 21.745 24.400 ( -16.731 -2.393 8.023) 18.709 25.128 ( -1.148 -34.340 6.951) 35.056 ======================= Grid point 531 (117/396) ======================= q-point: ( 0.35 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.824 ( 1.498 -0.650 4.035) 4.353 9.832 ( -3.007 17.580 3.404) 18.158 10.763 ( 2.334 -10.389 3.029) 11.071 14.410 ( -8.494 48.609 -9.835) 50.316 15.085 ( -6.731 27.387 -1.710) 28.254 16.192 ( 17.127 -0.787 -7.748) 18.814 16.597 ( -8.017 -16.122 -11.198) 21.204 17.237 ( 6.673 -29.527 -9.696) 31.787 18.785 ( -7.205 13.686 1.366) 15.527 19.103 ( -8.011 23.208 5.283) 25.114 19.914 ( 6.607 -16.597 3.637) 18.231 20.502 ( 6.967 -4.842 0.761) 8.518 22.008 ( -1.054 20.958 3.316) 21.245 24.143 ( -8.477 -0.246 3.657) 9.236 24.881 ( 8.794 -29.649 10.287) 32.592 ======================= Grid point 532 (118/396) ======================= q-point: (-0.60 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.843 ( 2.091 -1.961 4.798) 5.589 9.820 ( -14.862 11.367 2.863) 18.929 10.779 ( 9.424 -7.239 3.910) 12.511 14.535 ( -29.864 38.865 -4.494) 49.219 14.923 ( -29.055 9.691 -9.382) 32.033 16.227 ( -10.817 -9.751 -5.375) 15.524 16.665 ( 27.917 -1.953 -8.326) 29.198 17.142 ( 12.744 -22.226 -13.758) 29.081 18.782 ( -9.872 14.837 0.868) 17.842 19.062 ( -17.873 15.500 4.129) 24.015 19.942 ( 12.314 -12.147 4.557) 17.887 20.520 ( 2.859 -8.942 1.323) 9.481 22.005 ( -17.762 11.398 3.171) 21.341 24.205 ( 10.318 8.928 6.124) 14.956 24.833 ( 16.881 -24.309 8.494) 30.790 ======================= Grid point 533 (119/396) ======================= q-point: (-0.55 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.837 ( -0.941 -3.053 4.725) 5.704 9.604 ( -17.573 4.640 2.119) 18.299 10.896 ( 8.877 -3.323 3.221) 10.011 14.058 ( -48.027 5.451 -3.273) 48.446 14.519 ( -33.301 15.838 -8.405) 37.821 15.911 ( -15.094 -8.969 -4.723) 18.181 16.992 ( 11.629 -6.043 -4.586) 13.884 17.355 ( 24.845 -0.333 -15.119) 29.086 18.721 ( -18.111 16.787 -0.751) 24.706 18.873 ( -9.740 0.951 2.098) 10.009 20.036 ( 6.294 -3.659 5.099) 8.888 20.431 ( -1.660 -9.737 0.022) 9.877 21.722 ( -20.947 3.314 2.994) 21.417 24.518 ( 12.312 5.773 14.387) 19.796 25.033 ( 29.243 -10.824 1.599) 31.223 ======================= Grid point 550 (120/396) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.816 ( -0.930 -0.316 5.009) 5.104 9.951 ( 9.888 16.084 3.332) 19.172 10.687 ( -6.930 -10.689 3.445) 13.197 14.822 ( 13.882 41.647 -8.911) 44.795 15.242 ( 27.833 21.564 -7.100) 35.918 15.986 ( -4.313 3.677 -8.010) 9.812 16.698 ( -12.883 -11.583 -6.224) 18.409 16.902 ( -7.746 -28.301 -11.137) 31.384 18.959 ( 4.037 8.981 2.344) 10.122 19.230 ( 12.639 14.437 2.935) 19.411 19.803 ( -9.896 -12.519 6.398) 17.193 20.402 ( -0.344 0.424 -1.137) 1.261 22.124 ( 11.176 19.146 2.755) 22.339 24.366 ( -12.014 -1.774 9.752) 15.575 24.509 ( -4.597 -25.976 5.055) 26.859 ======================= Grid point 551 (121/396) ======================= q-point: ( 0.35 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.808 ( 0.563 -0.656 5.515) 5.582 10.163 ( -8.937 14.954 3.511) 17.771 10.529 ( 7.511 -12.416 3.705) 14.976 15.298 ( -9.610 40.628 -9.852) 42.896 15.507 ( -27.766 10.560 -8.424) 30.878 16.060 ( 24.967 -18.647 -12.667) 33.638 16.372 ( -6.510 1.771 -4.646) 8.191 16.687 ( 12.380 -23.521 -8.044) 27.771 19.067 ( -7.053 13.273 2.173) 15.187 19.437 ( -8.840 7.729 6.326) 13.338 19.595 ( 10.731 -12.227 4.939) 17.002 20.405 ( 2.334 -3.805 -1.345) 4.663 22.348 ( -6.403 10.969 2.382) 12.922 24.179 ( -0.542 4.688 6.029) 7.657 24.388 ( 8.822 -18.705 8.711) 22.440 ======================= Grid point 842 (122/396) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 0.000 0.000 69.047) 69.047 2.807 ( 0.000 0.000 69.047) 69.047 4.582 ( 0.000 0.000 114.058) 114.058 9.090 ( 0.000 0.000 -29.713) 29.713 9.090 ( 0.000 0.000 -29.713) 29.713 12.983 ( 0.000 0.000 8.073) 8.073 12.983 ( 0.000 0.000 8.073) 8.073 15.994 ( -0.000 0.000 -70.684) 70.684 20.255 ( -0.000 -0.000 27.808) 27.808 20.256 ( 0.000 -0.000 0.122) 0.122 20.256 ( 0.000 0.000 0.122) 0.122 21.014 ( 0.000 -0.000 -0.524) 0.524 21.014 ( 0.000 0.000 -0.524) 0.524 22.950 ( -0.000 0.000 5.846) 5.846 28.449 ( 0.000 0.000 -1.895) 1.895 ======================= Grid point 843 (123/396) ======================= q-point: ( 0.05 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 15.916 9.189 61.640) 64.322 3.389 ( 29.712 17.155 66.321) 74.670 5.096 ( 45.836 26.463 96.654) 110.196 9.219 ( 7.249 4.185 -27.162) 28.423 9.278 ( 18.272 10.549 -36.574) 42.223 13.008 ( 4.405 2.543 7.677) 9.210 13.073 ( 3.569 2.060 6.483) 7.682 15.355 ( -38.842 -22.425 -27.314) 52.513 19.540 ( -18.912 -10.919 16.324) 27.265 20.200 ( -3.716 -2.146 -0.469) 4.317 20.806 ( -10.851 -6.265 -0.862) 12.559 21.073 ( 2.547 1.471 0.336) 2.961 21.173 ( 22.148 12.787 -18.541) 31.589 23.428 ( 36.297 20.956 2.509) 41.987 28.355 ( -6.130 -3.539 -0.095) 7.079 ======================= Grid point 844 (124/396) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 36.780 21.235 44.007) 61.158 4.079 ( 32.449 18.734 59.894) 70.648 6.478 ( 70.389 40.639 66.800) 105.206 9.413 ( 9.753 5.631 -23.374) 25.946 9.786 ( 24.211 13.978 -40.912) 49.551 12.980 ( -12.237 -7.065 3.066) 14.458 13.186 ( 11.331 6.542 6.914) 14.799 14.935 ( 7.034 4.061 4.744) 9.406 19.247 ( -9.513 -5.492 2.741) 11.321 20.087 ( -6.327 -3.653 -1.275) 7.417 20.441 ( -19.440 -11.224 1.210) 22.480 21.123 ( 1.771 1.023 1.255) 2.399 21.419 ( 2.315 1.337 -25.976) 26.113 24.220 ( 28.918 16.696 3.924) 33.621 28.239 ( -3.605 -2.081 0.083) 4.163 ======================= Grid point 845 (125/396) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( 44.501 25.693 29.070) 59.039 4.888 ( 38.717 22.353 43.169) 62.146 8.081 ( 66.931 38.643 42.160) 88.037 9.658 ( 11.798 6.812 -18.730) 23.160 10.329 ( 24.200 13.972 -33.179) 43.378 12.734 ( -4.775 -2.757 2.722) 6.149 13.521 ( 18.036 10.413 5.922) 21.651 15.501 ( 37.515 21.659 9.315) 44.309 19.052 ( -8.225 -4.749 -6.134) 11.307 19.911 ( -9.279 -5.357 -1.888) 10.880 19.965 ( -21.789 -12.580 3.259) 25.370 21.149 ( 0.448 0.258 1.804) 1.877 21.365 ( -6.184 -3.570 -25.866) 26.834 24.702 ( 14.394 8.310 11.080) 19.975 28.182 ( -1.970 -1.137 0.401) 2.310 ======================= Grid point 846 (126/396) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.410 ( 44.564 25.729 18.694) 54.748 5.810 ( 41.941 24.215 25.731) 54.841 9.297 ( 36.119 20.853 6.561) 42.220 9.946 ( 13.579 7.840 -13.593) 20.751 10.994 ( 37.014 21.370 -7.031) 43.314 12.868 ( 17.580 10.150 5.533) 21.040 13.995 ( 23.582 13.615 4.855) 27.660 16.488 ( 47.622 27.494 8.728) 55.677 18.855 ( -9.751 -5.630 -12.091) 16.522 19.488 ( -19.305 -11.146 4.727) 22.787 19.664 ( -12.452 -7.189 -2.035) 14.522 21.141 ( -1.184 -0.683 1.734) 2.208 21.162 ( -11.326 -6.539 -24.047) 27.373 24.912 ( 4.715 2.722 14.101) 15.116 28.127 ( -3.326 -1.920 3.067) 4.915 ======================= Grid point 847 (127/396) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.377 ( 40.218 23.220 11.308) 47.796 6.755 ( 40.548 23.410 11.237) 48.150 9.776 ( 11.314 6.532 -16.413) 20.978 10.271 ( 15.014 8.668 -8.261) 19.204 11.890 ( 36.770 21.229 7.314) 43.084 13.558 ( 42.757 24.686 13.326) 51.139 14.575 ( 27.176 15.690 3.798) 31.609 17.592 ( 48.151 27.800 8.235) 56.207 18.579 ( -14.607 -8.433 -12.314) 20.883 19.148 ( -9.674 -5.585 0.709) 11.193 19.349 ( -15.304 -8.836 -1.647) 17.748 20.867 ( -14.246 -8.225 -20.880) 26.582 21.095 ( -2.897 -1.673 1.026) 3.499 24.934 ( -2.461 -1.421 13.016) 13.322 28.019 ( -6.311 -3.644 7.072) 10.154 ======================= Grid point 848 (128/396) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.213 ( 33.170 19.151 5.845) 38.745 7.608 ( 33.817 19.525 0.291) 39.050 9.984 ( 9.215 5.320 -17.387) 20.384 10.620 ( 15.592 9.002 -3.099) 18.269 12.591 ( 26.345 15.210 7.259) 31.274 14.675 ( 51.589 29.785 15.742) 61.615 15.209 ( 28.360 16.374 2.767) 32.864 18.127 ( -15.176 -8.762 0.684) 17.537 18.670 ( 31.420 18.140 -5.971) 36.768 18.978 ( -17.117 -9.883 -0.847) 19.783 19.081 ( 8.026 4.634 -2.815) 9.686 20.552 ( -12.131 -7.004 -15.507) 20.896 21.011 ( -4.403 -2.542 -0.132) 5.086 24.808 ( -8.472 -4.892 9.794) 13.843 27.838 ( -9.635 -5.563 11.315) 15.869 ======================= Grid point 849 (129/396) ======================= q-point: ( 0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.872 ( 24.918 14.386 1.992) 28.841 8.255 ( 22.946 13.248 -6.323) 27.239 10.247 ( 14.286 8.248 -12.658) 20.793 10.965 ( 14.387 8.306 1.352) 16.667 13.144 ( 23.261 13.430 7.951) 28.011 15.739 ( 39.734 22.941 10.124) 46.985 15.842 ( 27.000 15.588 1.704) 31.223 17.740 ( -16.838 -9.721 -2.466) 19.598 18.585 ( -17.335 -10.008 0.204) 20.018 18.873 ( -3.234 -1.867 -14.790) 15.254 19.696 ( 29.933 17.282 1.152) 34.583 20.444 ( 6.814 3.934 -4.272) 8.953 20.900 ( -5.258 -3.036 -1.446) 6.241 24.563 ( -12.709 -7.338 5.623) 15.716 27.588 ( -12.233 -7.063 15.329) 20.845 ======================= Grid point 850 (130/396) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.344 ( 16.848 9.727 -0.303) 19.457 8.663 ( 13.903 8.027 -7.725) 17.816 10.610 ( 16.741 9.665 -8.144) 20.976 11.253 ( 10.647 6.147 4.576) 13.118 13.656 ( 21.560 12.448 8.155) 26.197 16.410 ( 19.255 11.117 4.099) 22.608 16.413 ( 22.901 13.222 0.360) 26.447 17.387 ( -14.110 -8.147 -6.919) 17.701 18.207 ( -15.605 -9.010 1.578) 18.088 18.672 ( -13.491 -7.789 -20.406) 25.672 20.262 ( 24.294 14.026 4.625) 28.431 20.782 ( -4.911 -2.835 -2.631) 6.251 20.850 ( 22.079 12.747 4.962) 25.973 24.265 ( -12.488 -7.210 0.829) 14.443 27.298 ( -12.864 -7.427 18.981) 24.102 ======================= Grid point 851 (131/396) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.643 ( 9.672 5.584 -1.260) 11.239 8.924 ( 9.703 5.602 -6.050) 12.733 10.965 ( 13.903 8.027 -4.644) 16.712 11.430 ( 4.627 2.671 6.357) 8.304 14.077 ( 13.926 8.040 7.717) 17.837 16.646 ( 2.774 1.602 5.330) 6.219 16.844 ( 13.701 7.910 -2.006) 15.947 17.116 ( -8.873 -5.123 -15.429) 18.521 17.906 ( -9.747 -5.627 3.944) 11.926 18.340 ( -14.429 -8.331 -23.618) 28.904 20.689 ( -3.023 -1.745 -3.457) 4.913 20.826 ( 22.444 12.958 7.977) 27.116 21.224 ( 9.486 5.477 9.158) 14.277 24.064 ( -3.625 -2.093 -3.868) 5.699 27.030 ( -10.192 -5.885 22.003) 24.953 ======================= Grid point 852 (132/396) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.789 ( 3.288 1.898 -1.167) 3.972 9.120 ( 7.770 4.486 -4.183) 9.899 11.225 ( 8.933 5.157 -1.991) 10.505 11.455 ( -2.481 -1.432 6.692) 7.279 14.192 ( -5.524 -3.189 7.127) 9.564 16.583 ( -6.954 -4.015 4.921) 9.417 16.944 ( -5.778 -3.336 -4.245) 7.908 17.058 ( 4.651 2.685 -18.175) 18.952 17.849 ( 5.514 3.184 6.153) 8.855 18.040 ( -12.154 -7.017 -24.358) 28.112 20.653 ( -0.048 -0.028 -3.774) 3.774 21.042 ( -5.972 -3.448 6.927) 9.774 21.380 ( 5.877 3.393 10.076) 12.148 24.153 ( 11.644 6.723 -4.531) 14.189 26.861 ( -4.421 -2.552 23.502) 24.050 ======================= Grid point 854 (133/396) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.794 ( -2.858 -1.650 -0.029) 3.301 9.270 ( 4.981 2.876 -3.105) 6.536 11.319 ( -9.344 -5.395 5.548) 12.132 11.367 ( 3.598 2.077 -1.021) 4.278 13.827 ( -24.839 -14.341 6.271) 29.359 16.354 ( -14.645 -8.455 1.554) 16.982 16.657 ( -17.484 -10.094 -3.128) 20.429 17.298 ( 14.984 8.651 -14.026) 22.273 17.787 ( -9.458 -5.460 -22.455) 24.970 18.081 ( 13.093 7.559 4.990) 15.920 20.685 ( 2.669 1.541 -3.557) 4.707 20.756 ( -15.858 -9.156 6.566) 19.453 21.342 ( -9.954 -5.747 4.223) 12.245 24.556 ( 22.514 12.999 -0.040) 25.997 26.826 ( 0.853 0.493 22.450) 22.472 ======================= Grid point 855 (134/396) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.656 ( -9.480 -5.474 2.616) 11.255 9.314 ( -2.094 -1.209 -1.929) 3.093 11.041 ( -14.867 -8.583 2.678) 17.374 11.382 ( -2.506 -1.447 -3.177) 4.297 13.180 ( -29.678 -17.135 6.502) 34.881 15.829 ( -32.926 -19.010 1.692) 38.057 16.201 ( -22.194 -12.813 -1.692) 25.683 17.575 ( 2.561 1.479 -4.353) 5.263 17.757 ( 13.259 7.655 -24.708) 29.067 18.402 ( 14.886 8.594 3.527) 17.547 20.364 ( -20.179 -11.650 3.722) 23.596 20.763 ( 3.937 2.273 -2.927) 5.406 21.020 ( -14.470 -8.354 0.013) 16.708 25.109 ( 25.082 14.481 5.557) 29.490 26.868 ( 2.069 1.194 18.636) 18.789 ======================= Grid point 856 (135/396) ======================= q-point: (-0.35 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.356 ( -17.191 -9.925 7.506) 21.223 9.113 ( -17.012 -9.822 1.267) 19.684 10.663 ( -18.069 -10.432 -2.344) 20.995 11.243 ( -9.956 -5.748 -8.199) 14.120 12.586 ( -21.052 -12.154 6.628) 25.196 14.876 ( -49.586 -28.628 6.374) 57.610 15.669 ( -24.410 -14.093 -0.164) 28.186 17.608 ( 1.163 0.672 -9.014) 9.114 18.135 ( 17.226 9.945 -14.353) 24.529 18.750 ( 15.690 9.059 2.081) 18.237 19.772 ( -30.723 -17.738 2.128) 35.540 20.845 ( -0.481 -0.278 -4.508) 4.542 20.851 ( 3.599 2.078 -2.067) 4.641 25.655 ( 22.545 13.017 12.819) 29.018 26.891 ( -0.394 -0.227 11.152) 11.161 ======================= Grid point 857 (136/396) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.868 ( -25.920 -14.965 14.832) 33.403 8.513 ( -35.484 -20.487 6.463) 41.481 10.244 ( -18.431 -10.641 -9.383) 23.259 10.916 ( -19.964 -11.526 -7.184) 24.146 12.241 ( -10.345 -5.973 -1.511) 12.040 13.679 ( -53.109 -30.662 13.433) 62.779 15.109 ( -24.656 -14.235 1.587) 28.514 17.505 ( -14.293 -8.252 -9.467) 19.027 18.531 ( 18.158 10.484 -6.205) 21.866 19.107 ( 15.647 9.034 0.648) 18.080 19.137 ( -20.808 -12.014 -0.671) 24.037 20.919 ( 2.271 1.311 -1.168) 2.871 20.944 ( 7.921 4.573 -9.415) 13.126 26.098 ( 15.192 8.771 27.649) 32.745 26.853 ( -1.948 -1.125 -5.034) 5.514 ======================= Grid point 858 (137/396) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.182 ( -34.401 -19.861 23.488) 46.147 7.557 ( -47.475 -27.410 12.069) 56.132 9.845 ( -16.501 -9.527 -16.962) 25.509 10.236 ( -42.364 -24.459 7.483) 49.487 12.010 ( -14.967 -8.641 -21.962) 27.946 12.674 ( -28.631 -16.530 20.683) 38.997 14.564 ( -23.150 -13.366 3.451) 26.953 16.893 ( -37.002 -21.363 -3.293) 42.853 18.913 ( 0.026 0.015 -7.502) 7.502 18.980 ( 20.523 11.849 0.548) 23.705 19.450 ( 14.467 8.353 -0.554) 16.714 20.953 ( 0.751 0.434 -0.421) 0.964 21.159 ( 10.290 5.941 -14.046) 18.397 26.225 ( -5.992 -3.459 41.054) 41.633 26.915 ( 9.405 5.430 -20.762) 23.431 ======================= Grid point 859 (138/396) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.323 ( -40.999 -23.671 32.216) 57.263 6.412 ( -52.704 -30.429 18.138) 63.503 8.998 ( -64.213 -37.073 28.724) 79.516 9.506 ( -13.242 -7.645 -23.306) 27.874 11.479 ( -27.282 -15.751 -22.914) 38.954 12.460 ( 2.995 1.729 5.391) 6.405 14.070 ( -20.311 -11.727 5.189) 24.021 15.986 ( -40.231 -23.227 2.231) 46.508 18.985 ( 5.355 3.092 -6.656) 9.085 19.487 ( 23.210 13.400 1.094) 26.823 19.754 ( 12.190 7.038 -1.237) 14.130 20.956 ( -0.297 -0.172 -0.009) 0.343 21.384 ( 9.047 5.223 -17.968) 20.784 25.892 ( -21.547 -12.440 26.613) 36.432 27.218 ( 15.551 8.978 -10.039) 20.573 ======================= Grid point 860 (139/396) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( -54.284 -31.341 25.304) 67.597 5.346 ( -44.617 -25.759 40.996) 65.840 7.467 ( -68.035 -39.280 51.517) 93.945 9.250 ( -9.155 -5.286 -27.687) 29.636 10.841 ( -29.431 -16.992 -27.293) 43.586 12.642 ( 11.779 6.800 -1.039) 13.640 13.650 ( -16.624 -9.598 6.588) 20.295 15.170 ( -29.500 -17.032 5.756) 34.547 19.123 ( 6.574 3.796 -2.835) 8.104 19.997 ( 9.100 5.254 -1.211) 10.577 20.009 ( 22.270 12.857 0.322) 25.717 20.946 ( -0.463 -0.268 -0.067) 0.539 21.547 ( 4.886 2.821 -20.813) 21.564 25.283 ( -31.984 -18.466 12.407) 38.960 27.587 ( 16.775 9.685 -1.567) 19.433 ======================= Grid point 861 (140/396) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.981 ( -51.479 -29.721 36.629) 69.822 4.332 ( -43.964 -25.383 50.686) 71.737 6.028 ( -56.640 -32.701 77.833) 101.663 9.094 ( -4.572 -2.640 -30.117) 30.577 10.141 ( -31.780 -18.348 -33.328) 49.573 12.918 ( 9.702 5.601 1.065) 11.253 13.320 ( -12.381 -7.148 7.542) 16.164 14.801 ( 1.647 0.951 2.377) 3.045 19.284 ( 8.082 4.666 3.821) 10.084 20.163 ( 5.532 3.194 -0.577) 6.414 20.473 ( 18.048 10.420 -1.360) 20.884 20.943 ( 0.334 0.193 -0.509) 0.639 21.573 ( -3.693 -2.132 -22.012) 22.421 24.440 ( -42.224 -24.378 1.501) 48.779 27.970 ( 16.659 9.618 2.582) 19.409 ======================= Grid point 862 (141/396) ======================= q-point: (-0.05 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -30.608 -17.672 57.337) 67.355 3.408 ( -35.838 -20.691 61.582) 74.194 4.987 ( -33.580 -19.387 102.282) 109.385 9.043 ( -0.006 -0.003 -30.751) 30.751 9.459 ( -26.106 -15.072 -32.755) 44.515 12.994 ( -1.374 -0.793 6.122) 6.324 13.093 ( -7.570 -4.370 8.034) 11.872 15.342 ( 40.644 23.466 -27.959) 54.628 19.546 ( 17.707 10.223 15.875) 25.886 20.248 ( 1.948 1.125 0.084) 2.251 20.781 ( 6.404 3.698 -4.126) 8.469 20.965 ( 1.630 0.941 -0.840) 2.061 21.295 ( -22.595 -13.045 -14.801) 29.996 23.450 ( -40.004 -23.096 2.035) 46.237 28.308 ( 11.875 6.856 0.999) 13.748 ======================= Grid point 864 (142/396) ======================= q-point: ( 0.05 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 7.376 52.267 43.505) 68.402 3.955 ( 13.593 38.205 60.762) 73.051 5.894 ( 48.369 52.438 78.266) 105.900 9.178 ( 13.145 0.398 -29.381) 32.190 9.829 ( 5.539 34.044 -35.520) 49.511 12.991 ( -1.098 -7.512 3.256) 8.260 13.201 ( 1.052 11.650 7.215) 13.744 14.891 ( -2.970 -12.648 -0.854) 13.020 19.321 ( -6.899 -9.427 6.086) 13.172 20.161 ( -5.414 -3.243 -1.005) 6.391 20.591 ( -10.607 -15.384 0.765) 18.702 20.978 ( 5.422 -4.613 -2.780) 7.642 21.489 ( -0.724 10.052 -21.654) 23.884 24.106 ( 16.853 42.033 1.304) 45.305 28.167 ( 1.526 -14.511 1.445) 14.662 ======================= Grid point 865 (143/396) ======================= q-point: ( 0.10 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 19.598 55.001 31.921) 66.544 4.636 ( 24.179 36.670 49.227) 65.975 7.404 ( 62.573 52.160 53.114) 97.248 9.446 ( 16.338 2.304 -23.951) 29.085 10.274 ( 9.038 29.864 -34.560) 46.561 12.778 ( -7.132 -10.905 2.085) 13.196 13.426 ( 9.174 16.737 6.240) 20.080 15.162 ( 26.149 19.856 8.351) 33.879 19.129 ( -7.066 -6.344 -2.891) 9.927 20.003 ( -8.456 -6.734 -2.243) 11.040 20.188 ( -17.691 -13.506 3.575) 22.543 21.023 ( 6.245 -7.233 -3.312) 10.114 21.478 ( -6.171 1.197 -21.659) 22.553 24.676 ( 9.021 27.388 8.764) 30.138 28.091 ( 4.482 -12.354 0.108) 13.143 ======================= Grid point 866 (144/396) ======================= q-point: ( 0.15 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.154 ( 27.030 47.702 25.992) 60.677 5.492 ( 31.658 39.352 28.603) 58.043 8.842 ( 48.068 36.638 23.982) 65.024 9.786 ( 17.603 9.407 -14.416) 24.621 10.747 ( 17.527 26.140 -21.947) 38.369 12.715 ( 7.783 1.656 3.847) 8.838 13.827 ( 16.188 20.478 4.984) 26.575 16.003 ( 41.176 29.036 8.698) 51.129 18.944 ( -7.816 -6.351 -9.686) 13.973 19.653 ( -16.568 -17.352 2.837) 24.159 19.850 ( -13.771 -2.853 -0.265) 14.066 21.037 ( 4.025 -8.498 -5.945) 11.125 21.328 ( -9.903 -2.562 -17.485) 20.258 24.966 ( 0.245 17.285 14.392) 22.494 28.051 ( 4.083 -11.707 1.095) 12.447 ======================= Grid point 867 (145/396) ======================= q-point: ( 0.20 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.068 ( 30.500 37.667 19.658) 52.302 6.442 ( 32.537 40.621 11.835) 53.374 9.597 ( 17.844 10.037 -10.797) 23.146 10.205 ( 12.188 19.241 -7.910) 24.111 11.489 ( 35.828 27.207 2.534) 45.058 13.124 ( 31.139 15.958 9.869) 36.355 14.364 ( 20.888 23.770 3.825) 31.873 17.053 ( 46.838 29.380 7.919) 55.854 18.713 ( -11.420 -9.084 -12.664) 19.322 19.241 ( -11.806 -13.061 2.770) 17.822 19.571 ( -16.361 -2.583 -1.443) 16.627 20.951 ( -5.082 -10.930 -17.665) 21.385 21.144 ( -6.493 -2.278 -3.427) 7.687 25.046 ( -6.102 9.981 15.105) 19.105 27.981 ( 1.302 -12.631 4.446) 13.454 ======================= Grid point 868 (146/396) ======================= q-point: ( 0.25 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.910 ( 29.409 28.963 12.248) 43.055 7.351 ( 28.421 36.842 0.966) 46.541 9.866 ( 9.737 4.286 -17.676) 20.631 10.568 ( 8.791 20.430 -5.380) 22.882 12.285 ( 28.895 18.899 6.714) 35.174 14.059 ( 50.842 25.282 15.674) 58.905 14.988 ( 23.142 26.344 2.956) 35.189 18.060 ( 32.086 14.157 9.784) 36.410 18.418 ( -3.355 -3.365 -12.453) 13.329 19.037 ( -1.460 -5.409 -3.710) 6.720 19.248 ( -18.876 -0.990 -1.154) 18.937 20.679 ( -11.922 -10.377 -18.357) 24.224 21.054 ( -3.221 -2.167 0.626) 3.932 24.965 ( -11.128 3.717 12.686) 17.280 27.841 ( -2.252 -14.274 8.671) 16.853 ======================= Grid point 869 (147/396) ======================= q-point: ( 0.30 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.619 ( 24.658 21.321 6.111) 33.165 8.091 ( 20.019 28.454 -5.824) 35.275 10.098 ( 12.125 7.383 -14.970) 20.631 10.917 ( 8.443 20.436 -0.489) 22.116 12.883 ( 23.658 14.790 7.201) 28.814 15.165 ( 48.443 19.683 11.646) 53.570 15.655 ( 23.412 28.460 3.116) 36.983 17.903 ( -14.914 -12.865 -0.979) 19.720 18.739 ( -2.140 -5.026 -4.788) 7.264 18.920 ( -9.458 -1.788 -8.204) 12.647 19.344 ( 29.438 19.772 1.595) 35.498 20.432 ( -4.721 -4.553 -10.623) 12.485 20.971 ( -4.747 -0.937 -0.434) 4.858 24.750 ( -14.967 -1.634 8.804) 17.441 27.626 ( -5.494 -15.865 12.883) 21.162 ======================= Grid point 870 (148/396) ======================= q-point: ( 0.35 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.161 ( 18.264 14.763 1.866) 23.559 8.582 ( 11.002 18.792 -7.840) 23.144 10.433 ( 15.778 11.066 -10.556) 21.973 11.241 ( 6.104 19.517 3.369) 20.725 13.413 ( 22.213 14.146 7.650) 27.424 15.993 ( 32.377 8.753 2.539) 33.635 16.309 ( 19.936 25.160 3.903) 32.337 17.545 ( -13.728 -9.020 -4.030) 16.913 18.443 ( -18.493 -4.131 0.427) 18.954 18.767 ( -7.944 -9.320 -17.546) 21.397 19.983 ( 23.762 12.144 1.435) 26.724 20.578 ( 19.000 7.924 1.167) 20.620 20.884 ( -5.305 2.631 -1.058) 6.015 24.445 ( -16.111 -5.028 4.195) 17.391 27.353 ( -7.398 -16.658 16.780) 24.775 ======================= Grid point 871 (149/396) ======================= q-point: ( 0.40 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.536 ( 11.906 9.909 -0.567) 15.500 8.870 ( 6.126 11.959 -5.967) 14.702 10.806 ( 14.730 9.989 -6.451) 18.930 11.491 ( 0.981 18.232 5.281) 19.006 13.898 ( 18.324 12.236 7.196) 23.179 16.461 ( 17.495 0.038 -0.672) 17.508 16.751 ( 9.655 12.194 1.300) 15.607 17.285 ( -10.971 1.410 -9.418) 14.527 18.105 ( -17.058 -1.532 2.236) 17.272 18.464 ( -12.511 -13.142 -21.701) 28.287 20.519 ( 26.439 11.392 6.905) 29.606 20.751 ( -3.383 0.115 -2.674) 4.314 21.082 ( 15.077 10.297 6.925) 19.527 24.153 ( -10.879 -4.349 -0.894) 11.751 27.068 ( -6.663 -15.846 20.208) 26.530 ======================= Grid point 872 (150/396) ======================= q-point: ( 0.45 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.768 ( 5.466 7.358 -1.426) 9.277 9.051 ( 5.057 6.481 -3.423) 8.905 11.103 ( 10.843 5.472 -2.330) 12.367 11.619 ( -6.505 17.093 5.213) 19.017 14.199 ( 4.714 4.117 6.377) 8.935 16.584 ( 1.017 -6.374 4.753) 8.016 16.887 ( 5.719 -2.559 -13.579) 14.955 17.222 ( -10.214 13.863 -7.624) 18.832 17.892 ( -6.392 3.847 4.389) 8.655 18.143 ( -10.412 -11.206 -23.115) 27.718 20.698 ( -3.416 2.092 -3.241) 5.153 20.981 ( 13.442 2.229 6.827) 15.240 21.309 ( 5.351 3.954 11.058) 12.905 24.062 ( 3.326 1.725 -4.328) 5.725 26.843 ( -2.406 -13.001 22.613) 26.195 ======================= Grid point 873 (151/396) ======================= q-point: (-0.50 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.860 ( -2.278 5.431 -0.868) 5.953 9.182 ( 6.101 1.185 -2.079) 6.553 11.276 ( 5.814 0.552 1.125) 5.948 11.603 ( -14.250 15.877 3.396) 21.603 14.071 ( -16.966 -8.805 5.348) 19.849 16.432 ( -7.648 -10.787 1.886) 13.357 16.966 ( -12.430 7.113 -6.239) 15.621 17.138 ( 5.005 3.803 -13.567) 14.953 17.849 ( -6.714 -10.304 -20.596) 23.988 18.025 ( 4.806 11.920 2.953) 13.187 20.672 ( -1.653 -0.552 -2.450) 3.007 20.935 ( -10.685 -4.182 6.130) 13.009 21.388 ( -0.948 -2.976 7.311) 7.951 24.311 ( 18.576 9.131 -2.112) 20.806 26.744 ( 3.555 -9.317 22.894) 24.971 ======================= Grid point 874 (152/396) ======================= q-point: (-0.45 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.794 ( -9.432 1.288 1.367) 9.617 9.268 ( 4.152 -2.979 -2.032) 5.500 11.277 ( -7.861 -0.477 2.844) 8.374 11.481 ( -13.283 10.532 -0.393) 16.956 13.528 ( -29.498 -15.357 5.025) 33.634 16.075 ( -19.669 -18.179 0.037) 26.784 16.614 ( -29.084 3.629 -2.166) 29.390 17.450 ( 15.783 5.959 -8.605) 18.938 17.671 ( -0.240 -4.602 -23.253) 23.706 18.293 ( 10.182 13.240 3.740) 17.116 20.508 ( -10.999 -12.732 2.968) 17.085 20.806 ( -4.052 6.584 -1.054) 7.802 21.176 ( -13.694 -10.049 2.444) 17.161 24.811 ( 25.563 12.955 3.260) 28.843 26.760 ( 6.962 -7.184 20.415) 22.734 ======================= Grid point 875 (153/396) ======================= q-point: (-0.40 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.562 ( -16.036 -4.741 5.500) 17.603 9.223 ( -5.322 -7.076 -1.579) 8.994 10.993 ( -23.920 1.117 -0.735) 23.957 11.359 ( -9.341 0.212 -3.931) 10.137 12.883 ( -27.378 -12.277 6.088) 30.616 15.359 ( -38.651 -26.598 2.938) 47.010 16.095 ( -33.058 0.170 -1.272) 33.083 17.563 ( 3.695 -1.444 -6.344) 7.483 17.932 ( 17.709 9.307 -19.017) 27.602 18.610 ( 12.285 11.795 2.407) 17.199 20.083 ( -23.822 -15.941 2.347) 28.760 20.786 ( -2.079 -4.731 -4.110) 6.602 20.935 ( -4.537 3.615 0.225) 5.806 25.381 ( 25.078 13.419 9.562) 30.006 26.807 ( 6.041 -7.249 14.856) 17.600 ======================= Grid point 876 (154/396) ======================= q-point: (-0.35 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.148 ( -23.284 -11.849 11.903) 28.709 8.889 ( -24.621 -11.293 1.171) 27.113 10.541 ( -25.718 -4.414 -6.852) 26.979 11.128 ( -15.599 -5.076 -6.788) 17.753 12.422 ( -17.008 -4.340 3.960) 17.995 14.293 ( -52.004 -29.014 9.472) 60.299 15.520 ( -33.026 -2.140 0.096) 33.096 17.599 ( -1.708 -1.230 -8.588) 8.842 18.315 ( 17.380 8.224 -10.852) 22.079 18.919 ( 11.775 5.466 0.489) 12.990 19.461 ( -26.763 -10.772 1.511) 28.889 20.776 ( 6.727 -3.933 -8.038) 11.195 20.974 ( 0.396 6.616 -0.344) 6.637 25.895 ( 20.023 11.237 20.380) 30.700 26.810 ( 2.980 -7.341 3.326) 8.592 ======================= Grid point 877 (155/396) ======================= q-point: (-0.30 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.534 ( -31.055 -19.090 20.162) 41.658 8.160 ( -44.822 -14.879 5.814) 47.584 10.079 ( -21.122 -7.504 -13.980) 26.417 10.686 ( -29.784 -10.349 -0.392) 31.533 12.167 ( -12.189 -2.738 -9.688) 15.809 13.152 ( -47.386 -21.128 17.552) 54.771 14.942 ( -31.255 -3.687 1.806) 31.524 17.311 ( -28.288 -10.058 -5.768) 30.572 18.708 ( 20.757 6.926 -2.105) 21.983 18.899 ( -2.803 -8.738 -5.573) 10.736 19.366 ( 7.443 13.730 0.214) 15.619 20.875 ( 6.927 -3.392 -8.040) 11.142 21.077 ( 5.291 5.859 -4.713) 9.194 26.201 ( 5.681 -0.382 39.359) 39.769 26.828 ( 6.514 1.424 -17.298) 18.538 ======================= Grid point 878 (156/396) ======================= q-point: (-0.25 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.727 ( -38.068 -24.611 29.103) 53.869 7.130 ( -55.809 -18.034 10.938) 59.662 9.632 ( -28.288 -15.055 -9.314) 33.371 9.879 ( -46.083 -6.239 6.498) 46.956 11.775 ( -25.282 -14.811 -22.605) 37.007 12.527 ( -12.090 0.128 14.819) 19.126 14.395 ( -27.891 -4.818 3.613) 28.534 16.539 ( -44.205 -13.187 0.457) 46.133 18.894 ( 6.278 -1.589 -8.137) 10.400 19.173 ( 24.811 7.443 0.913) 25.920 19.652 ( 10.202 11.036 -0.723) 15.047 20.919 ( 2.671 -3.352 -3.972) 5.844 21.263 ( 9.818 3.878 -12.935) 16.696 26.049 ( -12.138 -14.129 32.797) 37.717 27.090 ( 13.093 12.767 -13.472) 22.714 ======================= Grid point 879 (157/396) ======================= q-point: (-0.20 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.782 ( -43.551 -25.010 37.415) 62.627 5.943 ( -59.054 -23.598 18.067) 66.111 8.468 ( -73.674 -13.924 36.459) 83.373 9.446 ( -16.157 1.572 -23.480) 28.545 11.162 ( -27.424 -16.161 -24.381) 40.096 12.530 ( 5.666 4.400 2.137) 7.485 13.907 ( -23.222 -5.720 5.268) 24.490 15.674 ( -42.800 -7.711 4.896) 43.763 19.016 ( 8.084 0.202 -6.264) 10.229 19.677 ( 25.715 5.622 0.911) 26.339 19.914 ( 9.655 8.163 -0.191) 12.644 20.919 ( 1.369 -2.858 -2.621) 4.113 21.452 ( 8.589 1.442 -18.015) 20.010 25.582 ( -23.301 -18.205 19.666) 35.512 27.459 ( 13.380 15.338 -4.728) 20.896 ======================= Grid point 880 (158/396) ======================= q-point: (-0.15 0.05 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( -60.082 -25.297 25.375) 69.955 4.819 ( -43.033 -22.554 50.247) 69.895 7.086 ( -78.406 0.931 57.993) 97.527 9.250 ( -11.082 5.455 -27.719) 30.346 10.514 ( -30.787 -15.548 -31.026) 46.392 12.749 ( 14.137 3.634 0.177) 14.598 13.500 ( -17.624 -6.092 6.594) 19.778 15.019 ( -27.341 0.944 6.795) 28.189 19.160 ( 8.712 0.005 -1.569) 8.852 20.044 ( 11.252 0.149 -2.246) 11.475 20.221 ( 20.184 6.169 2.661) 21.273 20.924 ( 1.283 0.008 -2.681) 2.972 21.558 ( 3.247 -1.844 -20.938) 21.268 24.914 ( -34.362 -17.221 8.291) 39.320 27.833 ( 13.139 14.419 0.330) 19.510 ======================= Grid point 885 (159/396) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.372 ( 8.568 51.052 40.117) 65.491 5.534 ( 19.142 59.223 17.645) 64.693 8.469 ( 45.448 54.395 35.309) 79.190 9.564 ( 17.522 10.432 -19.698) 28.352 10.871 ( 3.300 30.478 -26.235) 40.349 12.617 ( 2.467 -4.716 2.852) 6.039 13.824 ( 10.508 23.494 4.895) 26.198 15.694 ( 29.929 33.291 7.395) 45.373 18.998 ( -6.264 -7.028 -7.441) 12.000 19.718 ( -13.175 -20.955 1.065) 24.776 19.994 ( -6.559 -7.459 1.527) 10.049 20.908 ( 1.502 -4.158 -6.367) 7.751 21.434 ( -6.834 -5.274 -17.348) 19.377 25.224 ( -3.793 27.199 15.867) 31.716 27.785 ( 8.658 -18.070 -1.178) 20.072 ======================= Grid point 886 (160/396) ======================= q-point: ( 0.15 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.064 ( 17.675 43.311 31.743) 56.532 6.467 ( 21.727 57.937 5.863) 62.154 9.421 ( 19.583 21.447 -4.035) 29.321 10.119 ( 24.472 24.636 -0.580) 34.730 11.314 ( 16.877 31.342 -10.967) 37.248 12.814 ( 19.808 8.606 8.530) 23.221 14.310 ( 16.322 28.268 3.176) 32.796 16.620 ( 38.911 33.194 6.938) 51.614 18.798 ( -9.042 -8.732 -11.526) 17.054 19.288 ( -11.984 -18.958 2.616) 22.580 19.797 ( -11.164 -3.067 -0.377) 11.584 20.874 ( 0.475 -7.786 -12.315) 14.578 21.243 ( -8.337 -5.548 -9.527) 13.822 25.329 ( -9.889 18.506 18.699) 28.105 27.744 ( 7.318 -19.094 0.703) 20.461 ======================= Grid point 887 (161/396) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.793 ( 21.542 35.807 21.557) 47.020 7.372 ( 20.526 51.270 -1.989) 55.262 9.767 ( 8.789 9.147 -16.810) 21.060 10.651 ( 10.146 24.921 -3.950) 27.196 12.017 ( 26.638 25.856 3.160) 37.257 13.490 ( 41.802 21.082 15.053) 49.178 14.917 ( 19.686 32.108 1.822) 37.707 17.602 ( 39.752 24.696 7.111) 47.336 18.504 ( -12.104 -10.861 -9.543) 18.856 19.003 ( -3.848 -10.899 -3.567) 12.096 19.553 ( -15.597 0.462 -0.878) 15.629 20.729 ( -6.672 -11.570 -18.833) 23.088 21.091 ( -4.212 -2.289 0.163) 4.796 25.262 ( -14.827 10.998 17.373) 25.350 27.646 ( 4.154 -21.065 4.672) 21.973 ======================= Grid point 888 (162/396) ======================= q-point: ( 0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.472 ( 20.759 28.030 12.988) 37.219 8.132 ( 15.132 39.881 -7.155) 43.251 9.999 ( 9.070 10.276 -16.703) 21.606 11.036 ( 6.445 26.647 -1.080) 27.437 12.644 ( 22.760 18.183 5.401) 29.628 14.521 ( 49.839 21.557 13.913) 56.055 15.590 ( 20.675 34.010 1.229) 39.820 17.974 ( -7.589 -13.617 2.422) 15.776 18.583 ( 18.767 10.394 -6.145) 22.315 18.930 ( 5.129 -5.832 -7.245) 10.621 19.337 ( -9.418 10.473 0.050) 14.085 20.477 ( -7.942 -9.693 -14.651) 19.279 21.031 ( -2.665 0.391 1.069) 2.898 25.049 ( -18.641 4.179 13.804) 23.570 27.471 ( 0.805 -23.152 9.178) 24.918 ======================= Grid point 889 (163/396) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.033 ( 16.820 20.643 6.501) 27.410 8.649 ( 7.742 26.188 -8.120) 28.490 10.309 ( 12.830 14.400 -13.536) 23.563 11.398 ( 4.257 28.333 2.835) 28.791 13.189 ( 21.672 16.930 6.077) 28.164 15.474 ( 40.343 12.382 5.681) 42.581 16.253 ( 18.441 30.305 1.261) 35.497 17.664 ( -11.018 -9.996 -1.144) 14.920 18.654 ( -6.703 -4.209 -6.399) 10.178 18.823 ( -10.638 -7.049 -9.551) 15.940 19.702 ( 23.188 15.304 0.434) 27.786 20.393 ( 7.463 0.633 -4.282) 8.628 20.998 ( -3.642 4.239 0.389) 5.602 24.725 ( -20.546 -1.335 9.195) 22.549 27.226 ( -1.716 -24.584 13.493) 28.096 ======================= Grid point 890 (164/396) ======================= q-point: ( 0.35 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.447 ( 11.954 14.152 2.025) 18.635 8.942 ( 2.903 17.137 -5.068) 18.105 10.675 ( 13.189 12.698 -9.057) 20.426 11.726 ( 0.196 30.100 4.090) 30.377 13.712 ( 19.779 16.724 5.588) 26.497 16.108 ( 25.554 2.942 -1.996) 25.800 16.719 ( 8.334 12.754 -0.783) 15.256 17.476 ( -6.458 5.900 -3.945) 9.596 18.414 ( -17.004 0.490 -0.219) 17.013 18.518 ( -12.074 -14.882 -17.829) 26.174 20.188 ( 23.181 8.826 3.541) 25.056 20.676 ( 14.070 1.788 0.880) 14.211 21.039 ( 2.123 12.355 2.627) 12.808 24.357 ( -18.159 -4.013 3.991) 19.020 26.945 ( -2.351 -24.583 17.356) 30.184 ======================= Grid point 891 (165/396) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.730 ( 8.188 9.414 -0.395) 12.483 9.106 ( -0.297 12.001 -1.377) 12.083 10.975 ( 10.706 6.503 -3.449) 12.993 11.978 ( -6.711 31.328 3.004) 32.179 14.138 ( 11.173 12.182 4.259) 17.070 16.420 ( 12.054 -3.816 -1.712) 12.759 16.788 ( 0.750 -5.568 -10.791) 12.166 17.555 ( -5.410 22.437 -3.443) 23.336 18.110 ( -16.559 -4.120 -6.446) 18.240 18.197 ( -9.651 -7.325 -12.024) 17.070 20.668 ( 21.327 2.043 6.526) 22.397 20.774 ( 1.691 2.204 -0.783) 2.886 21.275 ( 6.328 10.372 8.248) 14.685 24.092 ( -7.435 -1.798 -1.040) 7.720 26.688 ( 0.074 -22.534 20.441) 30.424 ======================= Grid point 892 (166/396) ======================= q-point: ( 0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.921 ( 4.619 7.418 -1.584) 8.881 9.168 ( -2.729 5.872 1.362) 6.617 11.168 ( 7.704 1.199 1.089) 7.873 12.095 ( -15.672 30.612 1.527) 34.424 14.239 ( -8.307 0.203 2.578) 8.700 16.424 ( -3.111 -9.419 1.666) 10.058 16.855 ( 13.538 -0.307 -18.853) 23.212 17.531 ( -22.596 16.891 -2.396) 28.313 17.830 ( -5.535 -14.562 -20.327) 25.610 18.122 ( -1.370 13.033 2.520) 13.345 20.699 ( -2.686 -4.853 0.068) 5.547 20.972 ( 5.404 -0.471 4.532) 7.068 21.386 ( -1.176 4.045 9.740) 10.611 24.128 ( 10.281 4.977 -2.252) 11.642 26.528 ( 5.403 -18.867 21.886) 29.397 ======================= Grid point 894 (167/396) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.996 ( -7.415 8.059 -0.380) 10.958 9.160 ( 2.623 -3.272 1.365) 4.411 11.262 ( 3.592 -2.048 2.487) 4.825 12.039 ( -24.573 27.559 0.541) 36.928 13.874 ( -26.130 -10.364 1.592) 28.155 16.184 ( -12.144 -14.141 -1.625) 18.711 17.189 ( 6.546 11.157 -11.542) 17.336 17.210 ( -16.460 5.999 -6.068) 18.540 17.625 ( -2.648 -10.402 -18.733) 21.591 18.314 ( 4.655 16.252 3.407) 17.245 20.535 ( -6.997 -11.712 2.025) 13.792 20.956 ( -5.145 2.293 1.269) 5.774 21.291 ( -9.933 -4.423 5.591) 12.227 24.509 ( 23.289 11.148 1.912) 25.891 26.498 ( 10.427 -15.644 20.711) 27.972 ======================= Grid point 895 (168/396) ======================= q-point: (-0.45 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.817 ( -16.772 -0.057 5.176) 17.553 9.183 ( 2.139 -4.283 -2.577) 5.438 11.228 ( -4.895 -4.784 -1.148) 6.940 11.804 ( -30.458 20.903 0.640) 36.947 13.262 ( -30.249 -10.607 2.669) 32.166 15.683 ( -27.407 -21.113 -0.598) 34.602 16.734 ( -35.557 7.247 -3.965) 36.504 17.458 ( 5.992 -3.301 -2.879) 7.422 17.720 ( 17.076 8.977 -22.391) 29.555 18.568 ( 7.491 13.760 2.289) 15.833 20.249 ( -12.954 -13.083 1.749) 18.494 20.818 ( -8.682 -9.497 -2.185) 13.051 21.086 ( -8.734 4.645 2.852) 10.295 25.071 ( 26.751 13.734 8.067) 31.133 26.547 ( 11.810 -14.285 16.463) 24.791 ======================= Grid point 896 (169/396) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.441 ( -22.741 -7.968 10.493) 26.282 9.090 ( -9.164 -5.430 -4.017) 11.385 10.941 ( -22.259 -7.961 -9.467) 25.465 11.460 ( -26.228 9.680 1.891) 28.021 12.732 ( -23.235 -2.346 3.940) 23.684 14.846 ( -43.423 -24.299 5.155) 50.025 16.159 ( -38.649 5.312 -2.785) 39.112 17.546 ( 6.421 0.156 -3.695) 7.410 18.115 ( 16.343 9.454 -16.564) 25.116 18.816 ( 7.929 7.451 0.424) 10.889 19.795 ( -24.199 -11.393 1.877) 26.813 20.641 ( 1.659 -8.458 -7.274) 11.278 21.058 ( -3.100 6.299 2.129) 7.336 25.641 ( 23.623 12.834 17.551) 32.106 26.599 ( 10.012 -13.002 7.190) 17.916 ======================= Grid point 897 (170/396) ======================= q-point: (-0.35 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.886 ( -29.718 -14.210 17.070) 37.101 8.702 ( -30.275 -8.134 -2.400) 31.441 10.404 ( -26.331 -10.377 -14.573) 31.833 11.090 ( -25.303 1.670 1.007) 25.378 12.408 ( -16.904 2.094 -0.707) 17.047 13.807 ( -50.857 -18.526 13.293) 55.735 15.541 ( -38.567 3.027 -1.054) 38.699 17.585 ( -7.519 0.690 -4.658) 8.872 18.451 ( 15.106 5.254 -7.032) 17.471 18.859 ( -3.293 -8.790 -4.304) 10.326 19.465 ( -5.629 8.505 1.327) 10.284 20.683 ( 9.491 -5.631 -12.311) 16.533 21.081 ( 0.131 3.689 1.751) 4.086 26.048 ( 12.409 1.137 35.009) 37.161 26.679 ( 11.329 -2.067 -11.093) 15.990 ======================= Grid point 898 (171/396) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.159 ( -37.031 -17.708 24.878) 47.998 7.895 ( -50.759 -13.457 1.489) 52.534 9.911 ( -20.831 -9.257 -16.849) 28.347 10.584 ( -36.517 0.579 5.349) 36.911 12.076 ( -23.781 -7.137 -13.191) 28.115 12.924 ( -35.172 -1.115 19.350) 40.159 14.920 ( -35.960 0.232 0.948) 35.973 17.175 ( -37.562 -2.292 -0.176) 37.632 18.709 ( 12.671 -5.504 -2.844) 14.105 18.872 ( 14.117 4.325 -6.848) 16.276 19.616 ( 6.784 10.555 0.010) 12.547 20.791 ( 7.915 -4.724 -13.032) 15.962 21.152 ( 5.671 1.609 -2.651) 6.464 26.032 ( -3.279 -15.731 33.751) 37.381 26.988 ( 15.319 14.121 -11.571) 23.832 ======================= Grid point 899 (172/396) ======================= q-point: (-0.25 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.301 ( -42.745 -17.527 33.816) 57.253 6.773 ( -61.075 -18.492 6.304) 64.123 9.401 ( -37.693 -5.374 0.835) 38.084 9.925 ( -38.541 8.182 0.319) 39.401 11.481 ( -29.263 -13.590 -18.927) 37.406 12.613 ( -10.352 7.658 9.637) 16.083 14.335 ( -31.404 -2.067 3.023) 31.617 16.424 ( -47.089 2.169 4.368) 47.341 18.854 ( 10.027 -2.399 -9.780) 14.210 19.271 ( 25.137 2.734 1.823) 25.351 19.828 ( 8.381 5.079 -0.103) 9.800 20.851 ( 3.859 -2.248 -9.111) 10.147 21.296 ( 9.672 -0.630 -11.189) 14.803 25.707 ( -13.309 -19.530 24.136) 33.780 27.400 ( 13.702 17.881 -4.909) 23.056 ======================= Grid point 907 (173/396) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.882 ( 11.965 40.135 25.924) 49.255 7.611 ( 14.934 55.461 -1.954) 57.470 9.771 ( 5.418 17.071 -16.403) 24.287 10.651 ( 19.826 27.148 2.591) 33.716 11.947 ( 14.225 31.169 -6.008) 34.784 13.079 ( 29.328 19.890 16.156) 38.946 14.919 ( 18.669 33.295 0.668) 38.178 17.262 ( 30.633 30.214 4.488) 43.260 18.602 ( -11.792 -10.185 -7.180) 17.156 18.950 ( -4.521 -14.552 -4.310) 15.835 19.718 ( -4.710 -4.910 -0.042) 6.804 20.725 ( -5.882 -7.807 -16.840) 19.472 21.143 ( -4.636 -3.774 -1.523) 6.169 25.657 ( -15.937 14.140 23.911) 32.026 27.319 ( 7.148 -23.807 -1.532) 24.904 ======================= Grid point 908 (174/396) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.472 ( 14.443 33.206 18.009) 40.442 8.324 ( 11.200 42.347 -7.290) 44.406 10.011 ( 4.763 17.104 -17.996) 25.280 11.160 ( 11.374 26.806 1.129) 29.141 12.493 ( 18.068 22.698 1.280) 29.039 13.947 ( 42.780 25.463 15.874) 52.254 15.597 ( 19.963 36.269 -1.348) 41.422 17.857 ( 10.669 -2.839 4.903) 12.080 18.454 ( 6.520 9.868 -4.546) 12.671 18.802 ( 0.183 -10.166 -10.668) 14.737 19.588 ( -8.368 3.353 0.324) 9.021 20.505 ( -7.904 -10.851 -16.901) 21.584 21.078 ( -1.966 1.195 2.373) 3.305 25.450 ( -20.748 7.616 20.577) 30.198 27.169 ( 4.600 -27.203 3.450) 27.804 ======================= Grid point 909 (175/396) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.004 ( 13.345 25.928 11.213) 31.242 8.801 ( 5.703 26.194 -7.853) 27.934 10.302 ( 7.527 20.404 -16.351) 27.209 11.604 ( 7.576 31.381 3.788) 32.504 13.022 ( 19.523 20.892 3.208) 28.774 14.905 ( 42.048 17.612 8.951) 46.458 16.267 ( 17.038 33.019 -3.076) 37.283 17.714 ( -6.658 -10.982 1.888) 12.981 18.658 ( -2.050 -4.203 -11.234) 12.169 18.824 ( 8.116 -2.930 -4.420) 9.694 19.613 ( 4.340 15.723 0.797) 16.330 20.318 ( -1.207 -6.099 -9.633) 11.465 21.085 ( -1.119 5.359 2.171) 5.889 25.112 ( -24.071 1.921 15.713) 28.809 26.946 ( 2.414 -29.966 8.608) 31.271 ======================= Grid point 910 (176/396) ======================= q-point: ( 0.30 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.420 ( 9.791 18.343 5.705) 21.561 9.074 ( 2.605 17.424 -3.915) 18.048 10.628 ( 8.425 16.108 -11.695) 21.615 12.035 ( 3.477 36.835 3.363) 37.152 13.568 ( 19.379 22.079 3.057) 29.537 15.660 ( 31.849 6.711 -0.214) 32.549 16.725 ( 6.214 13.603 -5.567) 15.958 17.599 ( -0.806 5.629 -0.153) 5.688 18.496 ( -6.849 -11.607 -13.089) 18.787 18.734 ( -12.652 -0.788 -2.503) 12.921 19.939 ( 15.044 9.323 0.507) 17.706 20.427 ( 14.901 1.644 -0.318) 14.994 21.152 ( -0.050 11.379 2.358) 11.621 24.691 ( -24.339 -2.077 10.161) 26.457 26.674 ( 1.468 -31.198 13.306) 33.948 ======================= Grid point 911 (177/396) ======================= q-point: ( 0.35 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.700 ( 6.654 11.104 2.349) 13.156 9.256 ( -0.261 15.448 0.441) 15.456 10.881 ( 7.813 7.161 -4.925) 11.687 12.426 ( -3.152 40.718 0.518) 40.843 14.079 ( 14.300 20.710 1.750) 25.228 16.118 ( 19.803 -1.534 -5.967) 20.740 16.751 ( -3.157 -6.162 -9.678) 11.900 17.750 ( 3.182 10.029 -5.814) 12.021 18.243 ( -10.901 -3.602 -11.419) 16.192 18.483 ( -17.831 5.137 0.012) 18.556 20.310 ( 20.977 2.677 4.942) 21.717 20.673 ( 10.783 -1.641 1.362) 10.992 21.327 ( 3.699 16.625 4.776) 17.688 24.289 ( -18.328 -2.900 4.437) 19.079 26.403 ( 2.707 -30.204 17.187) 34.857 ======================= Grid point 912 (178/396) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.884 ( 5.656 5.839 1.306) 8.234 9.353 ( -5.638 13.430 2.686) 14.812 11.045 ( 7.477 0.490 0.785) 7.534 12.698 ( -12.725 41.134 -1.441) 43.081 14.375 ( -1.191 11.848 -0.589) 11.923 16.331 ( 7.431 -4.726 -1.910) 9.012 16.641 ( 4.395 -8.519 -18.649) 20.969 17.715 ( -1.250 -17.551 -18.208) 25.321 18.125 ( -21.490 22.090 -2.463) 30.917 18.316 ( -6.170 12.919 3.060) 14.641 20.578 ( 9.891 -9.965 5.029) 14.914 20.812 ( 9.902 0.059 2.791) 10.288 21.517 ( -1.950 14.345 7.478) 16.294 24.086 ( -2.427 1.287 0.389) 2.774 26.197 ( 6.735 -27.057 19.662) 34.118 ======================= Grid point 913 (179/396) ======================= q-point: (-0.55 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.016 ( 5.498 1.720 0.795) 5.816 9.315 ( -12.077 9.481 3.812) 15.820 11.152 ( 6.341 -2.767 3.418) 7.717 12.783 ( -23.615 38.311 -1.777) 45.040 14.219 ( -21.825 -1.889 -2.827) 22.088 16.225 ( -7.596 -10.781 -3.474) 13.638 16.867 ( 22.248 1.397 -17.046) 28.063 17.493 ( -2.789 -18.511 -19.918) 27.334 17.893 ( -26.830 19.958 -0.302) 33.441 18.449 ( -0.582 18.339 3.311) 18.645 20.501 ( -2.356 -13.234 3.407) 13.867 20.936 ( 5.015 -5.698 2.911) 8.129 21.502 ( -12.315 8.287 6.666) 16.272 24.263 ( 16.466 9.124 1.673) 18.899 26.111 ( 12.152 -23.341 19.798) 32.931 ======================= Grid point 914 (180/396) ======================= q-point: (-0.50 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.065 ( -3.664 -5.983 5.124) 8.688 9.163 ( -10.043 8.460 -0.381) 13.137 11.193 ( 2.245 -4.894 1.832) 5.687 12.633 ( -34.663 30.959 -0.954) 46.486 13.698 ( -30.789 -6.597 -2.493) 31.587 15.885 ( -18.040 -15.915 -4.236) 24.427 17.245 ( -9.322 -10.108 -14.193) 19.761 17.274 ( 14.393 4.148 -10.856) 18.499 17.701 ( -12.205 19.234 -5.809) 23.509 18.622 ( 2.168 14.044 2.393) 14.410 20.293 ( -6.907 -11.552 2.040) 13.613 20.837 ( -5.594 -13.543 0.661) 14.668 21.332 ( -13.639 6.906 4.348) 15.894 24.757 ( 25.749 14.432 7.200) 30.383 26.137 ( 15.735 -20.804 16.786) 31.019 ======================= Grid point 915 (181/396) ======================= q-point: (-0.45 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.752 ( -20.900 -6.468 10.023) 24.064 9.148 ( -2.762 0.746 -4.827) 5.611 11.093 ( -7.754 -8.793 -5.420) 12.916 12.204 ( -41.823 16.690 2.041) 45.076 13.162 ( -27.496 1.724 -0.165) 27.550 15.284 ( -32.434 -18.052 0.437) 37.122 16.841 ( -31.343 2.458 -10.077) 33.015 17.435 ( 5.348 2.051 1.698) 5.974 17.954 ( 14.480 14.371 -17.255) 26.720 18.788 ( 4.151 7.361 0.639) 8.474 20.029 ( -14.215 -8.103 1.475) 16.428 20.564 ( -5.557 -14.161 -3.998) 15.729 21.211 ( -8.268 5.575 3.459) 10.555 25.352 ( 25.591 14.359 16.514) 33.672 26.220 ( 16.409 -17.793 8.657) 25.705 ======================= Grid point 916 (182/396) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.259 ( -27.547 -9.852 14.031) 32.446 9.012 ( -13.805 -3.144 -6.427) 15.548 10.716 ( -22.885 -13.657 -15.217) 30.689 11.647 ( -35.044 7.391 6.013) 36.316 12.788 ( -22.834 6.730 0.458) 23.809 14.475 ( -43.968 -11.294 8.512) 46.186 16.261 ( -39.746 3.994 -5.609) 40.338 17.584 ( 7.738 3.735 0.835) 8.632 18.312 ( 11.492 10.890 -14.242) 21.295 18.843 ( -2.090 -4.410 -2.314) 5.401 19.696 ( -15.195 0.741 2.209) 15.372 20.468 ( 6.782 -8.804 -10.677) 15.411 21.143 ( -4.289 2.020 3.347) 5.804 25.807 ( 15.969 -0.973 32.334) 36.076 26.399 ( 19.082 -1.841 -7.166) 20.466 ======================= Grid point 917 (183/396) ======================= q-point: (-0.35 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.627 ( -34.334 -11.244 19.412) 41.013 8.537 ( -36.530 -9.478 -5.589) 38.151 10.173 ( -22.367 -11.353 -18.092) 30.927 11.156 ( -30.253 3.294 3.893) 30.680 12.452 ( -23.753 1.449 -3.008) 23.987 13.649 ( -45.950 4.031 16.624) 49.031 15.594 ( -41.127 1.613 -2.284) 41.222 17.660 ( -11.358 7.440 1.122) 13.624 18.491 ( 2.749 -1.735 -1.751) 3.692 18.744 ( 4.533 -0.735 -11.570) 12.449 19.625 ( 0.838 4.923 1.011) 5.095 20.569 ( 11.726 -5.243 -15.949) 20.479 21.110 ( -0.066 -0.523 2.643) 2.695 25.858 ( 4.042 -18.056 30.429) 35.613 26.829 ( 20.414 15.208 -6.171) 26.194 ======================= Grid point 928 (184/396) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.087 ( 8.845 29.159 14.064) 33.560 8.936 ( 5.404 19.767 -7.272) 21.744 10.456 ( 1.815 26.194 -17.346) 31.469 11.711 ( 16.047 30.094 5.900) 34.611 12.918 ( 18.236 20.906 -0.175) 27.742 14.482 ( 31.150 28.689 10.610) 43.657 16.295 ( 18.864 33.389 -6.193) 38.846 17.672 ( -1.382 -10.849 3.261) 11.412 18.550 ( 7.841 -12.210 -12.035) 18.852 18.732 ( 0.408 9.366 -4.067) 10.218 19.711 ( 3.260 9.969 2.276) 10.733 20.329 ( -8.230 -6.162 -12.654) 16.304 21.141 ( 0.847 5.164 3.398) 6.239 25.545 ( -23.086 1.782 24.768) 33.905 26.595 ( 2.041 -30.681 0.418) 30.752 ======================= Grid point 929 (185/396) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.475 ( 6.779 21.512 8.906) 24.249 9.167 ( 4.572 13.008 -3.364) 14.193 10.712 ( 1.794 18.183 -12.358) 22.058 12.287 ( 11.551 38.568 3.342) 40.399 13.474 ( 20.093 24.936 -0.321) 32.026 15.219 ( 29.390 14.663 2.179) 32.917 16.771 ( 5.057 14.861 -10.149) 18.693 17.607 ( 3.138 0.354 1.470) 3.483 18.476 ( -0.715 -9.887 -11.675) 15.316 18.813 ( 0.592 0.240 -1.470) 1.603 19.907 ( 3.353 13.777 1.459) 14.254 20.244 ( 5.143 -1.560 -5.044) 7.370 21.243 ( 2.233 10.533 3.406) 11.293 25.121 ( -26.758 -0.900 17.944) 32.230 26.309 ( 2.405 -34.468 6.994) 35.252 ======================= Grid point 930 (186/396) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.728 ( 3.662 12.322 5.050) 13.811 9.381 ( 4.150 15.264 1.931) 15.935 10.865 ( 1.966 6.999 -5.429) 9.074 12.840 ( 4.807 44.391 -1.905) 44.691 14.057 ( 16.905 27.434 -0.987) 32.239 15.746 ( 22.667 2.236 -6.336) 23.642 16.775 ( -5.983 -4.671 -10.875) 13.262 17.678 ( 3.319 -9.165 -9.239) 13.430 18.431 ( -3.375 12.564 -3.067) 13.366 18.765 ( -7.441 3.771 -0.668) 8.368 20.080 ( 7.989 4.894 2.272) 9.640 20.431 ( 14.097 -1.332 1.004) 14.195 21.432 ( 4.266 16.770 4.018) 17.764 24.646 ( -26.036 -2.355 11.019) 28.370 26.018 ( 4.148 -35.215 12.613) 37.635 ======================= Grid point 931 (187/396) ======================= q-point: ( 0.35 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.867 ( 2.961 5.812 4.356) 7.844 9.573 ( -1.514 17.080 4.096) 17.629 10.938 ( 4.089 -1.325 0.438) 4.321 13.290 ( -5.033 46.253 -5.244) 46.820 14.520 ( 4.970 23.913 -2.889) 24.594 16.062 ( 17.480 -3.884 -10.139) 20.578 16.575 ( -7.019 -10.893 -13.523) 18.730 17.515 ( 0.225 -24.058 -15.815) 28.791 18.556 ( -5.088 18.046 2.794) 18.956 18.674 ( -14.752 20.412 -0.391) 25.188 20.261 ( 13.030 -7.970 5.617) 16.274 20.623 ( 11.165 -3.500 2.202) 11.906 21.688 ( 2.588 20.041 5.391) 20.914 24.248 ( -16.461 -1.139 5.298) 17.330 25.778 ( 7.519 -32.829 16.466) 37.489 ======================= Grid point 932 (188/396) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.956 ( 3.275 1.776 4.632) 5.944 9.632 ( -10.341 14.587 4.270) 18.383 10.999 ( 6.930 -4.879 3.924) 9.339 13.551 ( -17.474 44.544 -5.530) 48.167 14.588 ( -17.512 9.177 -6.639) 20.856 16.239 ( -2.549 -5.368 -4.306) 7.339 16.475 ( 19.131 -7.138 -19.861) 28.485 17.293 ( 1.773 -23.253 -17.563) 29.194 18.488 ( -17.929 15.920 0.980) 23.997 18.729 ( -10.049 25.148 2.981) 27.245 20.320 ( 7.412 -15.091 5.578) 17.714 20.744 ( 8.498 -7.128 2.956) 11.479 21.820 ( -9.772 15.637 6.019) 19.397 24.154 ( 4.439 6.045 3.287) 8.188 25.642 ( 12.289 -29.042 17.931) 36.277 ======================= Grid point 934 (189/396) ======================= q-point: (-0.55 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.006 ( 2.126 -2.121 4.547) 5.449 9.514 ( -16.750 9.888 3.987) 19.855 11.068 ( 6.406 -5.384 3.911) 9.237 13.542 ( -32.056 36.720 -3.814) 48.892 14.178 ( -30.388 -1.622 -8.142) 31.502 15.997 ( -11.903 -12.500 -8.088) 19.062 16.916 ( 27.152 3.859 -12.653) 30.203 17.131 ( 3.326 -17.413 -17.795) 25.119 18.309 ( -24.648 21.949 0.129) 33.004 18.782 ( -5.874 14.013 3.209) 15.530 20.249 ( 0.111 -10.777 3.660) 11.382 20.731 ( 1.434 -14.321 2.193) 14.558 21.680 ( -18.021 8.565 5.035) 20.578 24.498 ( 21.284 14.951 6.671) 26.852 25.623 ( 17.009 -25.980 16.353) 35.096 ======================= Grid point 935 (190/396) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.937 ( -7.442 -6.721 6.600) 12.005 9.313 ( -13.935 6.469 0.928) 15.392 11.076 ( 0.274 -6.737 -0.527) 6.763 13.109 ( -45.977 12.031 -1.735) 47.557 13.698 ( -29.017 9.876 -5.249) 31.098 15.592 ( -21.276 -12.396 -4.887) 25.104 17.029 ( 0.709 -10.155 -13.596) 16.985 17.374 ( 15.283 6.139 -10.035) 19.286 18.132 ( -17.634 22.034 -3.057) 28.387 18.818 ( -0.788 4.925 1.537) 5.219 20.133 ( -5.443 -3.576 1.909) 6.787 20.521 ( -6.182 -17.172 -0.613) 18.261 21.455 ( -14.785 4.413 4.286) 16.013 25.069 ( 24.741 15.983 15.857) 33.452 25.707 ( 20.861 -21.277 8.884) 31.094 ======================= Grid point 936 (191/396) ======================= q-point: (-0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.603 ( -21.842 -7.704 10.638) 25.487 9.176 ( -8.999 1.147 -4.152) 9.976 10.898 ( -12.567 -10.483 -9.789) 19.069 12.375 ( -43.772 0.976 3.387) 43.914 13.318 ( -29.077 10.917 -2.140) 31.132 15.056 ( -31.959 -2.800 2.423) 32.172 16.831 ( -20.284 -2.569 -12.609) 24.022 17.521 ( 1.516 5.409 2.703) 6.234 18.262 ( 7.862 15.660 -12.725) 21.655 18.835 ( -0.334 -1.595 -0.838) 1.832 19.956 ( -14.168 -0.493 3.012) 14.493 20.304 ( 0.544 -10.824 -7.101) 12.957 21.273 ( -9.647 0.595 3.875) 10.413 25.487 ( 16.388 -8.403 29.040) 34.388 26.013 ( 26.942 4.671 -3.597) 27.580 ======================= Grid point 950 (192/396) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.813 ( 0.524 12.053 6.631) 13.767 9.401 ( 9.573 12.568 1.991) 15.924 10.946 ( -3.685 5.561 -3.634) 7.597 13.104 ( 15.418 43.592 -3.022) 46.337 13.967 ( 26.011 23.804 -3.940) 35.478 15.492 ( 12.877 13.457 -5.049) 19.297 16.865 ( -8.216 -1.355 -12.296) 14.850 17.516 ( 0.438 -15.658 -9.621) 18.383 18.471 ( 16.691 11.068 -2.028) 20.130 18.828 ( -0.907 1.813 0.511) 2.090 20.132 ( 0.665 6.783 4.574) 8.208 20.258 ( 0.419 4.678 -3.550) 5.887 21.490 ( 7.340 14.407 4.260) 16.721 25.079 ( -24.661 -3.573 20.854) 32.494 25.616 ( -1.003 -35.072 3.838) 35.295 ======================= Grid point 951 (193/396) ======================= q-point: ( 0.30 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.895 ( 0.212 5.077 6.239) 8.046 9.703 ( 6.951 17.437 5.056) 19.440 10.899 ( -2.499 -3.049 0.924) 4.049 13.734 ( 6.629 45.552 -8.552) 46.820 14.617 ( 18.093 28.380 -4.646) 33.976 15.755 ( 11.507 -1.119 -12.377) 16.937 16.644 ( -11.600 -7.491 -12.560) 18.666 17.262 ( -1.651 -28.221 -13.161) 31.183 18.803 ( -4.054 14.866 2.867) 15.673 18.930 ( 9.590 17.051 0.950) 19.586 20.105 ( -3.291 -3.291 5.176) 6.961 20.392 ( 10.412 -1.808 0.205) 10.569 21.799 ( 8.146 20.285 4.658) 22.351 24.605 ( -26.212 -1.709 11.346) 28.613 25.316 ( 6.604 -35.376 11.945) 37.918 ======================= Grid point 952 (194/396) ======================= q-point: ( 0.35 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.939 ( 1.069 1.905 7.232) 7.555 9.921 ( -3.546 17.942 5.344) 19.054 10.838 ( 3.329 -8.491 4.060) 9.983 14.199 ( -5.352 45.283 -10.566) 46.806 14.990 ( -10.014 22.582 -7.812) 25.909 15.961 ( 23.041 -6.955 -15.233) 28.483 16.349 ( -11.557 -10.957 -12.310) 20.129 16.990 ( 3.528 -27.993 -14.277) 31.621 18.829 ( -8.037 14.503 3.009) 16.852 19.194 ( -7.493 25.870 3.351) 27.141 20.018 ( 6.206 -15.653 6.492) 18.047 20.523 ( 9.126 -6.990 1.095) 11.547 22.092 ( -0.381 20.070 4.918) 20.668 24.251 ( -11.655 1.791 6.826) 13.625 25.143 ( 11.072 -30.940 15.371) 36.278 ======================= Grid point 953 (195/396) ======================= q-point: (-0.60 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.966 ( 1.079 -0.438 7.302) 7.395 9.900 ( -15.615 11.843 5.012) 20.229 10.873 ( 9.223 -7.164 5.061) 12.728 14.401 ( -22.697 40.655 -8.008) 47.246 14.700 ( -31.553 1.456 -12.659) 34.029 16.047 ( -8.651 -14.787 -13.148) 21.595 16.449 ( 31.281 5.454 -11.835) 33.887 16.847 ( 7.735 -20.902 -14.943) 26.834 18.812 ( -12.087 16.452 2.258) 20.539 19.152 ( -19.449 15.224 4.223) 25.057 20.049 ( 11.284 -10.179 5.997) 16.337 20.544 ( 4.233 -12.285 1.012) 13.034 22.087 ( -17.522 10.435 4.796) 20.950 24.341 ( 13.101 13.325 7.105) 19.992 25.078 ( 14.987 -27.714 15.437) 35.085 ======================= Grid point 954 (196/396) ======================= q-point: (-0.55 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.951 ( -1.586 -3.115 6.401) 7.293 9.672 ( -19.437 5.461 4.668) 20.722 10.960 ( 6.424 -4.997 2.637) 8.555 13.942 ( -44.977 -2.169 -7.622) 45.670 14.350 ( -29.132 22.139 -7.979) 37.450 15.761 ( -10.852 -9.499 -10.704) 17.960 16.825 ( 8.739 -12.167 -12.395) 19.443 17.047 ( 28.436 8.584 -13.659) 32.693 18.718 ( -20.849 18.259 0.593) 27.720 18.930 ( -11.577 -0.101 3.351) 12.053 20.139 ( 3.983 -0.215 4.803) 6.244 20.427 ( -2.185 -14.014 -0.168) 14.184 21.800 ( -21.047 3.120 4.631) 21.776 24.839 ( 21.309 17.444 14.960) 31.339 25.119 ( 21.859 -22.668 8.773) 32.690 ======================= Grid point 971 (197/396) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.950 ( -0.429 1.131 8.215) 8.304 10.043 ( 10.508 16.251 5.723) 20.180 10.771 ( -6.979 -9.165 4.502) 12.368 14.589 ( 9.257 40.522 -13.605) 43.736 15.082 ( 33.364 14.609 -8.426) 37.384 15.737 ( -10.914 1.824 -16.743) 20.069 16.513 ( -17.208 -5.293 -12.086) 21.684 16.663 ( -0.825 -31.047 -11.733) 33.201 19.020 ( 4.665 9.742 3.688) 11.414 19.305 ( 14.959 16.931 4.329) 23.004 19.951 ( -10.212 -11.378 7.688) 17.113 20.373 ( -0.649 -0.457 -1.719) 1.893 22.196 ( 10.880 18.458 4.260) 21.846 24.573 ( -24.374 -4.035 8.937) 26.273 24.690 ( 7.311 -23.771 14.121) 28.599 ======================= Grid point 972 (198/396) ======================= q-point: ( 0.35 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.956 ( 0.168 0.173 9.042) 9.045 10.256 ( -9.347 15.148 5.690) 18.687 10.625 ( 7.722 -12.091 5.542) 15.380 15.033 ( -4.979 38.141 -15.715) 41.551 15.293 ( -32.627 4.164 -13.109) 35.407 15.755 ( 26.261 -15.304 -16.513) 34.591 16.232 ( -3.161 2.286 -9.027) 9.833 16.482 ( 9.198 -20.873 -12.028) 25.787 19.129 ( -7.384 13.765 4.043) 16.135 19.578 ( -11.785 8.543 7.117) 16.203 19.721 ( 11.711 -9.536 7.293) 16.771 20.368 ( 4.001 -6.857 -2.383) 8.289 22.410 ( -5.855 9.937 3.667) 12.103 24.338 ( -1.721 7.680 9.562) 12.384 24.616 ( 9.657 -20.875 13.621) 26.732 ======================= Grid point 1263 (199/396) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 0.000 0.000 65.189) 65.189 4.133 ( 0.000 0.000 65.189) 65.189 6.795 ( -0.000 0.000 110.175) 110.175 8.403 ( 0.000 0.000 -39.509) 39.509 8.403 ( 0.000 0.000 -39.509) 39.509 13.135 ( 0.000 -0.000 6.932) 6.932 13.135 ( 0.000 -0.000 6.932) 6.932 14.491 ( 0.000 0.000 -81.328) 81.328 20.258 ( 0.000 0.000 0.139) 0.139 20.258 ( 0.000 0.000 0.139) 0.139 20.713 ( 0.000 -0.000 18.514) 18.514 21.003 ( 0.000 0.000 -0.539) 0.539 21.003 ( 0.000 0.000 -0.539) 0.539 23.071 ( -0.000 0.000 5.966) 5.966 28.409 ( 0.000 0.000 -1.959) 1.959 ======================= Grid point 1264 (200/396) ======================= q-point: ( 0.05 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( 7.141 4.123 63.192) 63.728 4.661 ( 29.297 16.914 62.389) 70.970 7.060 ( 24.365 14.067 100.778) 104.631 8.500 ( 13.162 7.599 -42.783) 45.402 8.582 ( 10.108 5.836 -36.950) 38.750 13.127 ( -5.220 -3.014 -4.419) 7.474 13.162 ( 4.270 2.466 7.388) 8.883 14.445 ( 1.448 0.836 -55.774) 55.799 19.791 ( -25.269 -14.589 8.463) 30.381 20.195 ( -4.299 -2.482 -0.066) 4.964 20.829 ( -10.288 -5.940 2.426) 12.125 21.018 ( 9.005 5.199 -0.347) 10.404 21.069 ( 3.051 1.762 -0.695) 3.591 23.496 ( 32.792 18.933 3.774) 38.053 28.343 ( -4.836 -2.792 -0.951) 5.664 ======================= Grid point 1265 (201/396) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.433 ( 24.225 13.986 53.874) 60.703 5.308 ( 26.685 15.407 62.508) 69.690 7.878 ( 44.223 25.532 72.485) 88.666 8.854 ( 13.752 7.940 -32.798) 36.440 8.954 ( 26.948 15.558 -42.095) 52.347 12.862 ( -14.708 -8.492 -17.665) 24.505 13.332 ( 10.775 6.221 7.343) 14.447 14.760 ( 26.194 15.123 -17.684) 35.036 19.298 ( -18.280 -10.554 2.583) 21.266 20.067 ( -6.969 -4.023 -0.711) 8.078 20.492 ( -18.080 -10.439 3.207) 21.122 21.099 ( -1.237 -0.714 -7.753) 7.884 21.132 ( 2.291 1.323 -0.392) 2.675 24.289 ( 32.778 18.925 3.104) 37.976 28.236 ( -3.874 -2.237 -0.402) 4.491 ======================= Grid point 1266 (202/396) ======================= q-point: ( 0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 33.605 19.402 41.827) 57.055 5.895 ( 26.045 15.037 56.475) 63.984 8.755 ( 27.415 15.828 12.852) 34.165 9.200 ( 16.656 9.616 -27.229) 33.336 9.822 ( 50.946 29.414 -5.093) 59.047 12.649 ( -1.072 -0.619 -12.895) 12.954 13.649 ( 17.093 9.869 6.633) 20.822 15.544 ( 41.117 23.739 -4.541) 47.695 18.937 ( -14.115 -8.149 -4.254) 16.844 19.879 ( -9.618 -5.553 -1.248) 11.175 20.044 ( -20.898 -12.065 3.812) 24.430 21.000 ( -6.897 -3.982 -11.094) 13.657 21.167 ( 0.669 0.386 -0.064) 0.776 24.885 ( 19.247 11.112 7.625) 23.496 28.179 ( -1.234 -0.712 -0.688) 1.582 ======================= Grid point 1267 (203/396) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.904 ( 35.950 20.756 30.362) 51.430 6.510 ( 28.154 16.255 43.758) 54.513 9.165 ( 11.923 6.883 -19.378) 23.770 9.605 ( 18.953 10.943 -20.590) 30.049 11.061 ( 52.395 30.250 12.989) 61.879 12.902 ( 24.763 14.297 -3.101) 28.761 14.099 ( 22.382 12.922 5.297) 26.381 16.559 ( 47.282 27.298 -2.151) 54.639 18.641 ( -12.270 -7.084 -8.055) 16.298 19.569 ( -20.388 -11.771 2.993) 23.731 19.630 ( -12.285 -7.093 -1.307) 14.246 20.804 ( -10.093 -5.827 -11.691) 16.507 21.159 ( -1.419 -0.819 0.001) 1.639 25.169 ( 6.326 3.652 11.827) 13.901 28.163 ( -0.652 -0.376 0.500) 0.904 ======================= Grid point 1268 (204/396) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.697 ( 33.415 19.292 20.439) 43.663 7.155 ( 28.180 16.270 28.840) 43.481 9.395 ( 9.896 5.713 -21.569) 24.409 10.054 ( 20.463 11.814 -13.477) 27.201 12.044 ( 34.430 19.878 7.126) 40.390 13.767 ( 48.637 28.081 7.384) 56.644 14.650 ( 25.865 14.933 3.549) 30.076 17.629 ( 45.023 25.994 -6.599) 52.405 18.376 ( -10.759 -6.212 -5.373) 13.536 19.153 ( -15.137 -8.739 -0.494) 17.486 19.324 ( -14.621 -8.441 -0.721) 16.898 20.560 ( -10.899 -6.293 -9.561) 15.805 21.102 ( -3.576 -2.065 -0.335) 4.143 25.196 ( -3.546 -2.047 13.017) 13.646 28.130 ( -2.609 -1.506 3.765) 4.822 ======================= Grid point 1269 (205/396) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.397 ( 27.995 16.163 12.377) 34.614 7.755 ( 24.065 13.894 14.501) 31.344 9.664 ( 14.442 8.338 -14.734) 22.253 10.522 ( 20.520 11.847 -6.745) 24.636 12.711 ( 26.211 15.133 4.439) 30.590 14.913 ( 48.662 28.095 8.204) 56.785 15.254 ( 27.039 15.611 1.649) 31.265 18.018 ( -12.532 -7.236 -12.607) 19.193 18.526 ( 13.795 7.965 -6.758) 17.304 18.974 ( -16.055 -9.269 0.464) 18.544 19.057 ( 17.377 10.033 0.400) 20.069 20.355 ( -5.373 -3.102 -4.261) 7.526 20.999 ( -5.366 -3.098 -1.050) 6.285 25.027 ( -11.017 -6.361 11.812) 17.360 28.036 ( -5.784 -3.339 8.063) 10.470 ======================= Grid point 1270 (206/396) ======================= q-point: ( 0.35 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.958 ( 21.401 12.356 6.448) 25.539 8.228 ( 17.634 10.181 3.727) 20.700 10.054 ( 19.550 11.287 -6.689) 23.544 10.966 ( 18.241 10.531 -1.220) 21.098 13.275 ( 23.865 13.779 4.984) 28.004 15.854 ( 32.817 18.947 1.818) 37.937 15.857 ( 25.650 14.809 -0.229) 29.618 17.673 ( -16.550 -9.555 -4.655) 19.669 18.493 ( -8.399 -4.849 -21.380) 23.477 18.608 ( -16.023 -9.251 2.063) 18.616 19.734 ( 30.117 17.388 2.635) 34.876 20.438 ( 15.119 8.729 2.445) 17.629 20.865 ( -6.283 -3.628 -1.994) 7.524 24.713 ( -16.138 -9.317 9.184) 20.775 27.870 ( -8.633 -4.984 12.425) 15.929 ======================= Grid point 1271 (207/396) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.368 ( 14.808 8.549 2.579) 17.292 8.567 ( 12.700 7.332 -1.729) 14.766 10.513 ( 19.975 11.533 -1.649) 23.124 11.328 ( 13.220 7.632 2.759) 15.512 13.795 ( 21.696 12.526 5.762) 25.706 16.389 ( 15.300 8.833 -5.759) 18.581 16.395 ( 21.257 12.273 -2.101) 24.636 17.292 ( -16.790 -9.694 -2.598) 19.561 18.218 ( -15.095 -8.715 -23.716) 29.432 18.263 ( -13.922 -8.038 3.927) 16.549 20.370 ( 28.093 16.220 5.616) 32.922 20.725 ( -5.778 -3.336 -2.952) 7.296 20.947 ( 24.479 14.133 4.197) 28.575 24.327 ( -16.907 -9.761 5.271) 20.221 27.658 ( -9.690 -5.595 16.382) 19.839 ======================= Grid point 1272 (208/396) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.633 ( 8.707 5.027 0.267) 10.058 8.819 ( 9.751 5.630 -4.167) 12.006 10.924 ( 15.683 9.055 0.421) 18.115 11.549 ( 5.977 3.451 5.326) 8.718 14.218 ( 14.112 8.147 6.448) 17.524 16.609 ( 5.511 3.182 -11.720) 13.337 16.782 ( 11.638 6.719 -3.934) 14.002 16.926 ( -14.773 -8.529 -0.329) 17.061 17.868 ( -14.490 -8.366 -22.925) 28.382 18.007 ( -7.643 -4.413 5.854) 10.590 20.616 ( -3.538 -2.043 -3.692) 5.507 20.969 ( 21.597 12.469 6.135) 25.682 21.390 ( 13.043 7.530 6.833) 16.538 24.021 ( -7.904 -4.564 -0.294) 9.132 27.454 ( -7.799 -4.503 19.670) 21.634 ======================= Grid point 1273 (209/396) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.766 ( 3.127 1.805 -1.031) 3.755 9.014 ( 7.432 4.291 -6.155) 10.561 11.206 ( 8.934 5.158 -0.107) 10.317 11.591 ( -2.316 -1.337 6.654) 7.171 14.340 ( -5.168 -2.984 7.711) 9.751 16.606 ( -8.378 -4.837 -11.388) 14.942 16.765 ( 5.180 2.990 -1.723) 6.224 16.863 ( -4.876 -2.815 -3.748) 6.764 17.596 ( -9.333 -5.389 -20.048) 22.761 17.969 ( 4.634 2.675 5.766) 7.866 20.574 ( -0.078 -0.045 -3.992) 3.993 21.185 ( -4.191 -2.420 6.858) 8.394 21.544 ( 1.097 0.633 6.710) 6.828 24.057 ( 11.739 6.777 -4.861) 14.400 27.324 ( -3.430 -1.980 21.953) 22.307 ======================= Grid point 1275 (210/396) ======================= q-point: (-0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.778 ( -2.098 -1.211 -1.530) 2.865 9.151 ( 4.478 2.585 -8.286) 9.767 11.317 ( 0.590 0.341 -4.105) 4.162 11.445 ( -10.490 -6.056 6.711) 13.847 13.990 ( -23.577 -13.612 9.892) 28.966 16.375 ( -13.380 -7.725 -0.864) 15.474 16.611 ( -15.909 -9.185 -1.485) 18.430 17.005 ( 14.607 8.433 -12.393) 20.930 17.448 ( -3.323 -1.918 -12.480) 13.056 18.168 ( 11.516 6.649 3.565) 13.767 20.611 ( 3.133 1.809 -3.706) 5.179 20.893 ( -18.109 -10.455 6.959) 22.039 21.402 ( -13.583 -7.842 2.255) 15.846 24.494 ( 24.611 14.209 -5.745) 28.993 27.293 ( 0.319 0.184 23.120) 23.123 ======================= Grid point 1276 (211/396) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.672 ( -7.193 -4.153 -0.931) 8.358 9.199 ( -0.931 -0.538 -9.160) 9.223 11.122 ( -17.713 -10.227 5.235) 21.113 11.220 ( -9.263 -5.348 -12.264) 16.273 13.388 ( -27.321 -15.774 13.410) 34.280 15.919 ( -27.902 -16.109 6.549) 32.878 16.186 ( -20.917 -12.076 0.235) 24.154 17.302 ( 7.300 4.215 -17.101) 19.066 17.527 ( 13.456 7.769 -3.356) 15.895 18.456 ( 13.597 7.850 1.844) 15.808 20.436 ( -22.805 -13.166 3.357) 26.546 20.704 ( 4.775 2.757 -2.853) 6.208 21.011 ( -17.526 -10.119 -0.492) 20.244 25.091 ( 26.836 15.494 -6.142) 31.590 27.310 ( 0.441 0.255 23.736) 23.741 ======================= Grid point 1277 (212/396) ======================= q-point: (-0.35 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.450 ( -12.447 -7.186 1.696) 14.472 9.064 ( -12.301 -7.102 -5.754) 15.325 10.654 ( -23.222 -13.407 1.604) 26.862 10.921 ( -15.772 -9.106 -22.022) 28.577 12.813 ( -23.132 -13.355 14.242) 30.271 15.110 ( -42.503 -24.539 16.144) 51.665 15.683 ( -23.161 -13.372 1.503) 26.786 17.398 ( 2.384 1.376 -10.763) 11.109 17.940 ( 20.309 11.725 -5.851) 24.170 18.776 ( 14.462 8.350 0.488) 16.706 19.808 ( -31.784 -18.350 1.438) 36.729 20.753 ( -4.452 -2.570 -4.524) 6.848 20.814 ( 4.635 2.676 -1.589) 5.583 25.679 ( 24.594 14.199 -7.717) 29.429 27.284 ( -3.220 -1.859 24.848) 25.125 ======================= Grid point 1278 (213/396) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.103 ( -18.305 -10.568 7.843) 22.544 8.595 ( -29.203 -16.860 2.579) 33.819 10.091 ( -25.945 -14.979 -5.231) 30.412 10.573 ( -14.271 -8.240 -26.507) 31.212 12.309 ( -22.585 -13.040 8.208) 27.340 14.062 ( -47.781 -27.586 23.259) 59.875 15.151 ( -23.385 -13.501 2.569) 27.124 17.346 ( -9.808 -5.663 -6.228) 12.925 18.416 ( 21.436 12.376 -4.899) 25.232 19.106 ( 14.512 8.379 -0.733) 16.773 19.126 ( -24.264 -14.009 -0.409) 28.021 20.767 ( 4.428 2.556 -8.411) 9.843 20.905 ( 3.303 1.907 -0.153) 3.817 26.190 ( 19.927 11.505 -12.625) 26.245 27.153 ( -8.151 -4.706 28.742) 30.243 ======================= Grid point 1279 (214/396) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.612 ( -25.165 -14.529 18.407) 34.398 7.783 ( -40.912 -23.621 11.965) 48.733 9.508 ( -24.712 -14.268 -15.683) 32.561 10.223 ( -19.073 -11.012 -14.444) 26.338 11.725 ( -29.910 -17.268 -2.510) 34.628 13.077 ( -35.726 -20.626 19.503) 45.631 14.635 ( -21.953 -12.675 3.482) 25.588 16.863 ( -31.757 -18.335 0.300) 36.671 18.751 ( 1.065 0.615 -8.302) 8.392 18.993 ( 19.106 11.031 0.859) 22.078 19.427 ( 13.629 7.869 -1.753) 15.835 20.911 ( 7.571 4.371 -11.036) 14.079 20.960 ( 1.556 0.898 1.169) 2.143 26.473 ( -1.100 -0.635 -20.525) 20.565 27.015 ( 2.098 1.211 34.845) 34.929 ======================= Grid point 1280 (215/396) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.798 ( -45.063 -26.017 22.166) 56.559 6.961 ( -32.087 -18.526 31.170) 48.419 8.999 ( -19.719 -11.385 -27.031) 35.343 9.595 ( -37.287 -21.528 23.025) 48.826 10.983 ( -33.924 -19.586 -19.822) 43.902 12.541 ( -11.464 -6.619 1.235) 13.295 14.165 ( -19.295 -11.140 4.239) 22.680 16.038 ( -38.348 -22.140 2.817) 44.370 18.836 ( 6.967 4.022 -7.742) 11.165 19.511 ( 23.800 13.741 1.383) 27.516 19.717 ( 11.879 6.859 -2.359) 13.919 20.978 ( 0.059 0.034 2.063) 2.064 21.086 ( 7.459 4.306 -12.282) 15.001 26.105 ( -26.351 -15.214 -4.924) 30.824 27.284 ( 16.593 9.580 16.275) 25.139 ======================= Grid point 1281 (216/396) ======================= q-point: (-0.15 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.776 ( -44.329 -25.594 34.408) 61.677 6.178 ( -36.345 -20.984 42.468) 59.706 8.619 ( -45.399 -26.211 60.525) 80.071 8.627 ( -13.046 -7.532 -35.110) 38.205 10.209 ( -34.662 -20.012 -34.357) 52.747 12.511 ( 7.386 4.264 -13.731) 16.164 13.766 ( -15.819 -9.133 4.891) 18.910 15.211 ( -33.120 -19.122 -0.835) 38.253 19.040 ( 10.727 6.193 -4.763) 13.271 19.960 ( 9.441 5.451 -2.340) 11.150 20.037 ( 22.058 12.735 2.299) 25.575 20.969 ( -0.698 -0.403 2.253) 2.393 21.231 ( 4.899 2.828 -11.804) 13.089 25.375 ( -37.279 -21.523 -1.695) 43.079 27.673 ( 17.186 9.922 8.962) 21.775 ======================= Grid point 1282 (217/396) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( -37.224 -21.491 48.905) 65.110 5.351 ( -35.614 -20.562 51.869) 66.193 7.667 ( -36.514 -21.081 85.732) 95.538 8.408 ( -6.283 -3.627 -39.152) 39.819 9.423 ( -33.625 -19.414 -39.340) 55.274 12.795 ( 15.228 8.792 -16.851) 24.355 13.452 ( -11.759 -6.789 5.539) 14.665 14.602 ( -18.840 -10.877 -17.102) 27.672 19.332 ( 15.649 9.035 1.339) 18.119 20.141 ( 6.355 3.669 -1.623) 7.515 20.489 ( 17.325 10.002 2.770) 20.196 20.954 ( -0.372 -0.215 1.604) 1.661 21.284 ( -0.847 -0.489 -9.003) 9.056 24.447 ( -43.465 -25.095 -0.521) 50.192 28.042 ( 14.763 8.523 4.198) 17.556 ======================= Grid point 1283 (218/396) ======================= q-point: (-0.05 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -17.390 -10.040 61.890) 65.066 4.614 ( -28.184 -16.272 60.066) 68.315 7.023 ( -19.644 -11.342 103.008) 105.476 8.338 ( 0.016 0.009 -40.345) 40.345 8.750 ( -24.068 -13.896 -39.399) 48.215 13.063 ( 6.459 3.729 -2.395) 7.834 13.237 ( -7.120 -4.111 6.244) 10.324 14.420 ( 1.894 1.093 -56.686) 56.728 19.781 ( 24.251 14.001 7.647) 29.028 20.243 ( 2.605 1.504 -0.520) 3.053 20.788 ( 7.502 4.331 4.065) 9.569 20.960 ( 1.047 0.605 0.391) 1.271 21.157 ( -10.478 -6.050 -2.601) 12.376 23.511 ( -35.168 -20.304 3.453) 40.755 28.313 ( 8.526 4.923 -0.126) 9.846 ======================= Grid point 1285 (219/396) ======================= q-point: ( 0.05 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.453 ( 3.495 34.112 54.299) 64.220 5.147 ( 17.900 30.917 59.151) 69.102 7.539 ( 27.557 33.692 86.405) 96.749 8.495 ( 16.003 2.087 -39.243) 42.432 9.091 ( 3.974 34.520 -39.591) 52.677 12.915 ( -5.740 -15.621 -15.123) 22.488 13.332 ( 1.315 12.061 6.075) 13.568 14.562 ( 13.939 14.089 -25.280) 32.123 19.421 ( -11.703 -18.633 3.901) 22.347 20.141 ( -5.928 -4.389 -0.944) 7.436 20.646 ( -8.173 -13.748 4.149) 16.524 20.922 ( 2.039 -4.661 -2.031) 5.478 21.248 ( -1.252 5.801 -5.744) 8.259 24.136 ( 19.054 41.836 1.524) 45.996 28.194 ( -0.130 -12.021 1.235) 12.085 ======================= Grid point 1286 (220/396) ======================= q-point: ( 0.10 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.988 ( 15.230 40.508 43.301) 61.219 5.727 ( 17.481 26.702 58.062) 66.255 8.439 ( 31.495 27.527 38.403) 56.784 8.921 ( 28.370 11.116 -20.164) 36.538 9.589 ( 15.895 38.161 -30.914) 51.620 12.661 ( -4.768 -9.394 -15.667) 18.879 13.555 ( 8.935 15.644 6.468) 19.142 15.165 ( 31.509 26.066 -6.635) 41.428 19.066 ( -12.234 -12.024 -2.540) 17.341 19.968 ( -8.098 -7.082 -1.294) 10.836 20.277 ( -18.245 -11.809 4.762) 22.249 20.910 ( 3.709 -10.215 -6.187) 12.506 21.237 ( -3.803 2.201 -5.242) 6.840 24.803 ( 14.501 31.234 4.555) 34.736 28.101 ( 2.935 -11.192 0.838) 11.601 ======================= Grid point 1287 (221/396) ======================= q-point: ( 0.15 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.717 ( 21.847 41.262 32.275) 56.758 6.297 ( 20.230 25.212 49.069) 58.759 8.975 ( 16.675 7.914 -14.971) 23.766 9.514 ( 15.542 22.693 -15.617) 31.630 10.526 ( 46.141 38.704 6.679) 60.593 12.692 ( 12.619 6.170 -7.489) 15.918 13.936 ( 15.540 19.015 5.600) 25.188 16.077 ( 41.693 30.072 -1.471) 51.427 18.762 ( -11.429 -9.388 -7.367) 16.524 19.693 ( -12.941 -14.927 0.970) 19.780 19.866 ( -18.053 -5.002 1.683) 18.809 20.821 ( -1.882 -11.320 -10.585) 15.612 21.187 ( -2.886 -0.119 -1.874) 3.444 25.206 ( 3.173 20.330 9.919) 22.842 28.068 ( 5.141 -10.459 0.489) 11.664 ======================= Grid point 1288 (222/396) ======================= q-point: ( 0.20 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.496 ( 22.925 37.885 23.188) 49.985 6.912 ( 23.229 24.171 34.824) 48.338 9.263 ( 11.234 4.942 -21.928) 25.128 9.959 ( 12.352 23.498 -16.576) 31.297 11.629 ( 40.275 26.788 9.952) 49.384 13.264 ( 38.269 22.158 3.686) 44.374 14.445 ( 20.174 22.206 4.098) 30.280 17.122 ( 45.366 29.373 -2.000) 54.082 18.485 ( -10.884 -8.737 -8.741) 16.468 19.283 ( -14.428 -16.273 1.239) 21.784 19.548 ( -16.890 -2.343 -0.890) 17.075 20.634 ( -6.876 -10.427 -11.359) 16.883 21.134 ( -2.590 -1.643 -0.017) 3.068 25.327 ( -6.675 11.382 12.946) 18.485 28.050 ( 4.532 -11.047 2.272) 12.155 ======================= Grid point 1289 (223/396) ======================= q-point: ( 0.25 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.210 ( 20.717 31.019 16.579) 40.820 7.537 ( 22.271 22.642 18.781) 36.897 9.508 ( 12.263 6.724 -18.261) 23.001 10.416 ( 13.563 24.241 -9.756) 29.441 12.405 ( 28.189 17.230 4.781) 33.382 14.305 ( 50.893 25.226 8.982) 57.508 15.046 ( 22.709 25.423 2.618) 34.189 18.072 ( 19.114 13.855 -18.206) 29.812 18.254 ( 7.147 -2.818 5.960) 9.723 18.968 ( -4.219 -9.314 -3.251) 10.729 19.232 ( -17.649 -0.333 -0.228) 17.654 20.414 ( -7.061 -7.954 -8.002) 13.310 21.061 ( -4.201 -1.611 0.074) 4.500 25.223 ( -13.867 4.000 12.946) 19.388 27.990 ( 1.818 -12.620 5.885) 14.043 ======================= Grid point 1290 (224/396) ======================= q-point: ( 0.30 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.799 ( 17.246 22.810 11.132) 30.686 8.081 ( 16.633 19.663 5.385) 26.312 9.843 ( 17.430 10.506 -10.480) 22.891 10.879 ( 12.488 23.924 -3.352) 27.195 12.999 ( 24.544 14.260 4.211) 28.696 15.311 ( 41.411 13.591 3.496) 43.724 15.714 ( 24.135 29.037 2.414) 37.835 17.840 ( -15.030 -10.659 -5.898) 19.347 18.513 ( -0.301 -5.596 -16.084) 17.032 18.825 ( -15.623 -6.073 -1.003) 16.792 19.383 ( 29.217 18.985 2.308) 34.920 20.319 ( 4.136 -0.020 -1.396) 4.366 20.961 ( -6.296 -0.110 -0.492) 6.316 24.951 ( -18.795 -2.031 11.003) 21.873 27.861 ( -1.406 -14.342 10.136) 17.618 ======================= Grid point 1291 (225/396) ======================= q-point: ( 0.35 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.244 ( 13.164 15.377 6.267) 21.190 8.486 ( 10.532 16.380 -1.590) 19.539 10.286 ( 20.183 12.567 -4.114) 24.129 11.289 ( 8.761 21.905 1.349) 23.631 13.537 ( 23.046 13.046 4.780) 26.910 15.969 ( 27.549 3.651 -3.981) 28.073 16.361 ( 18.216 24.847 0.753) 30.819 17.470 ( -15.827 -10.275 -3.512) 19.194 18.340 ( -9.965 -10.066 -22.154) 26.295 18.478 ( -17.728 -4.280 1.634) 18.310 20.038 ( 27.778 13.750 3.720) 31.218 20.617 ( 20.654 6.895 1.775) 21.847 20.871 ( -4.204 6.268 -0.049) 7.547 24.567 ( -20.774 -6.012 7.798) 22.990 27.669 ( -3.620 -15.360 14.243) 21.258 ======================= Grid point 1292 (226/396) ======================= q-point: ( 0.40 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.555 ( 9.049 10.061 2.506) 13.762 8.773 ( 6.355 13.326 -3.603) 15.197 10.734 ( 17.843 10.957 -0.739) 20.952 11.589 ( 2.556 18.741 4.279) 19.392 14.021 ( 19.106 10.351 5.084) 22.317 16.346 ( 17.461 -3.683 -9.446) 20.191 16.789 ( 8.220 13.313 1.122) 15.686 17.127 ( -15.338 -1.489 -5.795) 16.464 18.005 ( -14.259 -12.805 -22.722) 29.725 18.175 ( -14.209 -0.951 4.096) 14.818 20.647 ( 25.158 10.519 4.354) 27.614 20.702 ( -1.807 2.111 -0.931) 2.930 21.208 ( 18.497 11.916 5.154) 22.598 24.175 ( -16.357 -5.802 3.124) 17.634 27.454 ( -3.430 -14.910 17.843) 23.504 ======================= Grid point 1293 (227/396) ======================= q-point: ( 0.45 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.754 ( 4.293 7.267 0.081) 8.441 8.971 ( 4.168 9.133 -4.431) 10.974 11.082 ( 12.300 6.879 0.383) 14.098 11.733 ( -5.578 15.388 5.668) 17.322 14.318 ( 6.132 1.672 5.611) 8.478 16.537 ( 11.071 -4.031 -14.742) 18.871 16.719 ( -7.422 -12.157 3.125) 14.582 17.091 ( -9.060 18.589 -5.697) 21.450 17.672 ( -9.631 -11.343 -21.155) 25.864 18.016 ( -5.180 5.043 5.271) 8.947 20.632 ( -4.291 3.367 -3.206) 6.327 21.109 ( 12.895 1.482 5.757) 14.199 21.501 ( 6.231 4.053 7.932) 10.871 23.993 ( 0.128 1.619 -2.461) 2.949 27.283 ( -0.235 -12.756 20.625) 24.252 ======================= Grid point 1294 (228/396) ======================= q-point: (-0.50 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.838 ( -1.940 5.509 -1.202) 5.963 9.102 ( 3.774 3.977 -5.782) 7.968 11.275 ( 5.045 1.612 -1.164) 5.422 11.698 ( -14.501 12.445 5.635) 19.923 14.195 ( -14.733 -11.255 7.118) 19.860 16.440 ( -8.277 -12.381 -3.610) 15.324 16.773 ( 12.473 4.510 -8.828) 15.932 16.970 ( -17.423 7.279 -3.947) 19.291 17.469 ( -3.930 -6.916 -16.218) 18.063 18.109 ( 5.339 10.890 3.976) 12.764 20.618 ( -1.579 2.982 -2.816) 4.395 21.066 ( -10.874 -7.587 6.584) 14.804 21.504 ( -6.140 -4.850 4.727) 9.142 24.238 ( 19.557 11.272 -4.940) 23.107 27.205 ( 4.188 -10.041 22.289) 24.803 ======================= Grid point 1295 (229/396) ======================= q-point: (-0.45 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.795 ( -7.945 2.793 -1.165) 8.502 9.171 ( 2.212 -1.007 -7.414) 7.802 11.263 ( -5.535 -5.033 -5.414) 9.234 11.495 ( -21.592 10.230 3.081) 24.090 13.685 ( -25.765 -16.473 10.365) 32.289 16.098 ( -16.088 -18.294 1.284) 24.396 16.584 ( -27.524 3.400 -0.605) 27.740 17.159 ( 16.795 7.780 -15.653) 24.241 17.413 ( 3.730 -1.118 -6.286) 7.394 18.354 ( 9.434 11.711 2.172) 15.194 20.553 ( -7.546 -11.384 1.482) 13.738 20.798 ( -10.285 3.424 0.394) 10.847 21.211 ( -16.887 -10.328 1.428) 19.847 24.785 ( 26.880 15.394 -5.163) 31.404 27.209 ( 6.306 -8.753 23.050) 25.450 ======================= Grid point 1296 (230/396) ======================= q-point: (-0.40 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.625 ( -13.045 -1.072 0.674) 13.107 9.131 ( -3.943 -6.247 -7.272) 10.367 10.952 ( -21.617 -10.022 -6.328) 24.653 11.202 ( -22.125 5.785 -7.424) 24.043 13.092 ( -24.874 -13.562 13.516) 31.390 15.493 ( -30.850 -24.500 9.478) 40.519 16.089 ( -31.393 -0.529 0.844) 31.409 17.369 ( 3.962 3.556 -11.641) 12.800 17.691 ( 20.498 8.484 -5.936) 22.965 18.643 ( 11.439 10.390 0.819) 15.474 20.123 ( -24.280 -17.186 1.670) 29.793 20.707 ( -4.249 -7.527 -3.511) 9.329 20.933 ( -6.793 5.794 -0.314) 8.934 25.399 ( 26.130 16.237 -5.901) 31.325 27.217 ( 4.384 -9.674 23.736) 26.004 ======================= Grid point 1297 (231/396) ======================= q-point: (-0.35 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.328 ( -17.963 -5.765 5.486) 19.646 8.864 ( -18.314 -12.158 -2.946) 22.179 10.402 ( -27.097 -14.054 -8.321) 31.639 10.856 ( -22.896 3.039 -17.297) 28.856 12.585 ( -22.493 -9.414 11.117) 26.798 14.590 ( -44.090 -26.407 19.044) 54.808 15.536 ( -31.163 -2.879 1.569) 31.335 17.432 ( -1.917 2.436 -7.510) 8.124 18.148 ( 22.367 9.500 -5.966) 25.022 18.920 ( 10.587 3.381 -0.401) 11.121 19.480 ( -28.097 -11.601 0.518) 30.402 20.625 ( 4.858 -7.585 -6.986) 11.399 20.968 ( -1.087 8.878 -0.289) 8.949 25.972 ( 22.074 16.097 -8.603) 28.642 27.147 ( -0.531 -11.960 25.819) 28.459 ======================= Grid point 1298 (232/396) ======================= q-point: (-0.30 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.894 ( -23.497 -11.262 14.745) 29.939 8.251 ( -36.074 -17.043 4.545) 40.156 9.808 ( -25.768 -13.908 -12.904) 31.999 10.498 ( -21.463 -0.234 -19.353) 28.901 12.086 ( -27.355 -9.472 3.130) 29.117 13.569 ( -44.909 -20.964 22.702) 54.513 14.985 ( -29.191 -4.354 2.421) 29.613 17.232 ( -23.421 -5.009 -2.144) 24.046 18.622 ( 19.876 7.763 -5.933) 22.148 18.833 ( -2.140 -11.683 -1.163) 11.934 19.356 ( 6.242 13.344 -1.214) 14.781 20.693 ( 10.177 -6.880 -9.137) 15.311 21.037 ( -0.308 7.461 -0.420) 7.479 26.426 ( 11.661 11.565 -17.701) 24.146 26.987 ( -1.855 -10.466 33.660) 35.298 ======================= Grid point 1299 (233/396) ======================= q-point: (-0.25 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.293 ( -33.206 -17.924 26.347) 46.022 7.370 ( -42.427 -18.403 14.756) 48.544 9.271 ( -23.268 -9.619 -20.815) 32.668 10.052 ( -30.318 -5.676 -2.058) 30.914 11.420 ( -37.100 -13.698 -6.801) 40.129 12.791 ( -26.961 -8.117 11.265) 30.327 14.467 ( -25.961 -5.229 3.428) 26.704 16.569 ( -41.467 -10.304 2.475) 42.800 18.722 ( 6.686 -2.744 -8.747) 11.346 19.190 ( 26.145 8.164 0.982) 27.407 19.627 ( 9.678 11.500 -1.772) 15.135 20.798 ( 10.022 -8.311 -7.758) 15.156 21.110 ( 1.153 6.405 -3.073) 7.197 26.347 ( -17.572 -12.514 -6.196) 22.445 27.122 ( 14.831 10.807 19.888) 27.061 ======================= Grid point 1300 (234/396) ======================= q-point: (-0.20 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.326 ( -48.254 -22.201 25.652) 58.986 6.597 ( -34.786 -17.759 39.722) 55.707 8.839 ( -19.515 -4.912 -25.025) 32.112 9.317 ( -48.135 -4.515 30.177) 56.992 10.628 ( -37.166 -16.486 -24.005) 47.216 12.501 ( -4.701 1.552 -6.377) 8.073 14.006 ( -21.676 -5.736 4.477) 22.864 15.742 ( -43.267 -7.109 2.024) 43.894 18.874 ( 11.751 -0.027 -7.251) 13.808 19.695 ( 23.475 4.898 0.773) 23.993 19.908 ( 11.472 11.404 -0.265) 16.178 20.856 ( 6.689 -8.553 -3.875) 11.529 21.203 ( 3.235 4.155 -7.339) 9.033 25.774 ( -30.517 -17.758 0.489) 35.312 27.515 ( 15.325 14.022 9.627) 22.894 ======================= Grid point 1301 (235/396) ======================= q-point: (-0.15 0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.304 ( -44.705 -22.150 39.178) 63.435 5.831 ( -36.623 -12.397 51.260) 64.207 8.316 ( -46.156 -3.148 56.252) 72.832 8.637 ( -21.473 7.762 -26.828) 35.229 9.837 ( -36.266 -17.179 -36.038) 53.935 12.609 ( 12.051 4.532 -16.182) 20.679 13.622 ( -16.654 -5.804 5.479) 18.468 15.019 ( -35.938 -0.458 -5.104) 36.302 19.107 ( 15.374 0.607 -2.990) 15.674 20.004 ( 11.478 0.034 -1.799) 11.618 20.290 ( 18.848 9.647 3.928) 21.535 20.874 ( 4.350 -5.634 -2.060) 7.410 21.277 ( 1.944 0.549 -8.515) 8.751 24.995 ( -40.825 -15.713 0.702) 43.750 27.894 ( 13.760 11.881 5.052) 18.869 ======================= Grid point 1306 (236/396) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.926 ( 10.150 52.581 28.229) 60.536 6.328 ( 10.052 33.714 48.726) 60.099 8.824 ( 12.970 14.759 -15.821) 25.226 9.394 ( 29.137 32.457 11.153) 45.020 10.383 ( 17.672 42.089 -15.403) 48.177 12.570 ( 6.515 1.392 -8.899) 11.117 13.926 ( 9.916 21.793 5.060) 24.472 15.768 ( 30.886 34.803 0.136) 46.532 18.843 ( -9.551 -10.603 -7.165) 15.969 19.735 ( -10.548 -17.650 0.455) 20.567 20.040 ( -8.233 -11.520 2.876) 14.449 20.744 ( -3.835 -6.513 -8.484) 11.362 21.230 ( -2.415 -2.091 -4.993) 5.927 25.439 ( 0.688 32.045 6.217) 32.650 27.813 ( 7.364 -17.767 3.582) 19.564 ======================= Grid point 1307 (237/396) ======================= q-point: ( 0.15 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.639 ( 12.723 50.305 20.347) 55.736 6.854 ( 15.085 30.903 38.143) 51.356 9.147 ( 10.341 10.491 -21.313) 25.908 10.015 ( 12.868 27.169 -13.793) 33.075 11.273 ( 35.117 36.453 8.091) 51.259 12.919 ( 25.004 17.212 1.505) 30.393 14.382 ( 15.755 26.026 3.789) 30.658 16.705 ( 38.639 33.289 1.121) 51.014 18.578 ( -10.332 -9.173 -9.697) 16.880 19.330 ( -12.834 -21.177 1.638) 24.817 19.793 ( -12.656 -3.485 -0.014) 13.127 20.601 ( -3.447 -10.573 -12.150) 16.472 21.166 ( -2.804 -1.427 -0.996) 3.300 25.631 ( -9.036 21.789 11.608) 26.290 27.780 ( 9.145 -18.575 2.728) 20.883 ======================= Grid point 1308 (238/396) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.284 ( 11.950 37.357 23.511) 45.729 7.465 ( 18.024 34.407 15.192) 41.707 9.399 ( 9.126 9.434 -20.163) 24.059 10.488 ( 11.059 29.857 -11.827) 33.965 12.111 ( 28.394 22.658 5.332) 36.715 13.738 ( 43.470 25.105 9.677) 51.123 14.960 ( 19.679 29.701 2.266) 35.701 17.685 ( 39.831 26.801 -0.134) 48.008 18.302 ( -11.841 -9.422 -8.847) 17.529 18.945 ( -8.119 -17.607 -2.387) 19.535 19.534 ( -15.912 0.905 -0.834) 15.959 20.421 ( -4.817 -10.799 -11.444) 16.456 21.109 ( -2.871 -0.409 1.216) 3.144 25.574 ( -17.142 12.866 13.775) 25.478 27.739 ( 8.032 -20.319 4.349) 22.277 ======================= Grid point 1309 (239/396) ======================= q-point: ( 0.25 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.802 ( 12.168 26.817 19.314) 35.217 8.070 ( 13.587 31.663 1.559) 34.490 9.688 ( 13.257 12.309 -14.425) 23.137 10.975 ( 9.928 32.076 -4.784) 33.916 12.734 ( 23.862 16.533 3.254) 29.212 14.730 ( 44.104 18.066 7.081) 48.183 15.620 ( 21.965 31.683 1.540) 38.583 17.977 ( -13.486 -12.044 -3.061) 18.339 18.398 ( 13.175 5.335 -11.094) 18.031 18.816 ( 9.427 -5.405 -3.887) 11.541 19.339 ( -6.765 11.082 0.423) 12.991 20.269 ( -1.036 -6.279 -6.452) 9.063 21.058 ( -3.948 1.753 1.629) 4.617 25.320 ( -22.659 5.096 13.027) 26.629 27.644 ( 5.295 -22.349 7.744) 24.238 ======================= Grid point 1310 (240/396) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.220 ( 10.109 19.436 12.019) 24.988 8.533 ( 8.186 25.276 -3.383) 26.783 10.094 ( 17.723 15.219 -7.944) 24.674 11.433 ( 6.466 31.903 0.647) 32.558 13.281 ( 22.764 14.864 3.093) 27.363 15.510 ( 32.615 6.976 -1.434) 33.384 16.284 ( 20.031 26.933 1.322) 33.592 17.630 ( -13.957 -9.262 -2.285) 16.906 18.370 ( -5.208 -8.967 -19.392) 21.991 18.732 ( -13.848 -3.158 -0.940) 14.235 19.720 ( 24.261 14.788 1.604) 28.458 20.360 ( 14.837 3.670 -0.132) 15.285 21.018 ( -4.729 6.259 1.569) 8.000 24.924 ( -25.438 -1.104 10.543) 27.558 27.482 ( 2.632 -23.864 11.659) 26.690 ======================= Grid point 1311 (241/396) ======================= q-point: ( 0.35 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.530 ( 7.520 13.687 6.215) 16.809 8.857 ( 3.828 20.433 -3.423) 21.068 10.548 ( 17.696 13.705 -3.493) 22.654 11.806 ( 1.110 30.385 3.615) 30.619 13.795 ( 20.634 13.515 2.699) 24.813 15.991 ( 21.614 -1.254 -8.562) 23.282 16.733 ( 9.093 7.272 1.487) 11.737 17.382 ( -10.130 6.648 -5.338) 13.240 18.104 ( -12.542 -13.011 -21.237) 27.886 18.444 ( -16.727 0.736 1.958) 16.858 20.276 ( 27.439 10.182 4.596) 29.626 20.685 ( 11.051 1.447 -0.020) 11.146 21.102 ( 6.376 14.986 3.351) 16.627 24.466 ( -23.842 -4.351 6.789) 25.169 27.278 ( 1.544 -24.096 15.365) 28.619 ======================= Grid point 1312 (242/396) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.753 ( 5.329 9.898 2.715) 11.565 9.066 ( -0.271 15.942 -2.596) 16.154 10.932 ( 13.971 8.723 -0.545) 16.480 12.057 ( -6.154 28.756 4.401) 29.734 14.200 ( 12.376 7.963 2.033) 14.856 16.265 ( 15.599 -4.212 -12.257) 20.280 16.691 ( -4.818 -13.874 0.293) 14.690 17.449 ( -4.579 21.703 -7.491) 23.411 17.742 ( -14.738 -10.535 -19.141) 26.355 18.217 ( -11.938 5.030 3.785) 13.496 20.738 ( -2.534 2.328 -0.989) 3.580 20.807 ( 23.881 3.579 5.549) 24.777 21.425 ( 10.180 10.866 6.305) 16.170 24.099 ( -12.973 -1.873 1.716) 13.220 27.083 ( 3.165 -22.576 18.460) 29.334 ======================= Grid point 1313 (243/396) ======================= q-point: ( 0.45 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.907 ( 2.422 7.734 0.171) 8.106 9.161 ( -3.537 10.143 -2.004) 10.927 11.182 ( 8.379 2.972 0.329) 8.897 12.152 ( -15.116 26.996 3.808) 31.173 14.286 ( -5.892 -4.489 2.277) 7.749 16.429 ( -5.080 -13.529 -8.473) 16.752 16.526 ( 16.070 -0.640 -6.166) 17.225 17.417 ( -11.775 -9.340 -16.524) 22.337 17.485 ( -14.189 16.148 -5.134) 22.101 18.193 ( -1.074 12.694 3.456) 13.200 20.698 ( -4.122 0.776 -0.145) 4.197 21.059 ( 5.419 -4.592 4.098) 8.201 21.557 ( -2.921 2.186 7.355) 8.211 24.080 ( 8.814 7.190 -2.457) 11.637 26.961 ( 7.143 -19.828 20.587) 29.462 ======================= Grid point 1315 (244/396) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.972 ( -4.457 7.551 -1.508) 8.897 9.157 ( -3.056 1.776 -2.022) 4.072 11.265 ( 0.680 -2.670 -2.445) 3.684 12.068 ( -24.444 24.450 2.418) 34.657 13.938 ( -21.691 -13.756 4.912) 26.150 16.146 ( -10.203 -16.854 -3.073) 19.940 16.898 ( 20.281 5.026 -13.203) 24.716 17.103 ( -21.298 4.350 -5.931) 22.532 17.391 ( -5.745 3.221 -6.114) 8.986 18.368 ( 4.247 14.705 1.826) 15.414 20.576 ( -6.971 -8.967 2.146) 11.559 20.979 ( -7.485 -1.768 0.950) 7.749 21.388 ( -13.813 -4.679 4.321) 15.210 24.492 ( 24.247 14.624 -3.223) 28.498 26.933 ( 10.686 -17.618 21.649) 29.888 ======================= Grid point 1316 (245/396) ======================= q-point: (-0.45 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.875 ( -14.070 4.930 0.654) 14.923 9.111 ( -1.153 -4.725 -4.521) 6.641 11.127 ( -11.058 -9.022 -9.118) 16.936 11.808 ( -31.479 20.354 0.383) 37.488 13.387 ( -25.064 -12.827 9.238) 29.632 15.706 ( -20.832 -20.901 2.086) 29.583 16.651 ( -29.926 1.979 -3.835) 30.235 17.350 ( 6.547 11.975 -11.397) 17.780 17.420 ( 15.838 2.654 -3.653) 16.469 18.599 ( 6.836 12.293 0.674) 14.082 20.282 ( -13.620 -14.289 1.667) 19.811 20.772 ( -11.902 -10.441 -2.220) 15.987 21.136 ( -10.969 5.202 2.203) 12.339 25.107 ( 27.665 17.772 -3.282) 33.045 26.952 ( 10.896 -17.316 22.188) 30.181 ======================= Grid point 1317 (246/396) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.608 ( -19.084 -1.507 5.570) 19.937 8.984 ( -8.150 -7.578 -6.005) 12.646 10.702 ( -24.034 -14.897 -14.839) 31.934 11.425 ( -33.026 14.712 -3.568) 36.330 12.886 ( -22.417 -6.755 10.340) 25.594 15.020 ( -34.349 -22.356 11.225) 42.493 16.114 ( -34.986 2.366 -1.283) 35.089 17.465 ( 2.579 6.486 -4.072) 8.081 17.859 ( 21.563 8.962 -8.938) 25.004 18.817 ( 6.823 5.535 -0.429) 8.796 19.818 ( -24.182 -11.926 0.488) 26.967 20.507 ( -2.508 -11.346 -5.812) 12.993 21.094 ( -4.169 7.997 1.373) 9.123 25.745 ( 25.219 19.340 -4.510) 32.099 26.936 ( 7.407 -18.633 23.328) 30.761 ======================= Grid point 1318 (247/396) ======================= q-point: (-0.35 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.200 ( -23.489 -7.711 13.476) 28.157 8.632 ( -24.120 -10.741 -3.611) 26.650 10.098 ( -26.206 -16.101 -16.507) 34.907 10.990 ( -31.280 8.715 -9.654) 33.876 12.457 ( -23.826 -3.451 5.570) 24.711 14.145 ( -43.559 -17.125 19.266) 50.615 15.528 ( -35.535 1.254 0.053) 35.557 17.513 ( -7.922 6.386 -2.371) 10.448 18.316 ( 22.851 7.741 -6.083) 24.882 18.794 ( -7.364 -13.786 -2.398) 15.812 19.472 ( -6.881 8.090 -0.515) 10.634 20.462 ( 7.409 -9.032 -9.684) 15.174 21.113 ( -1.596 5.186 1.340) 5.589 26.317 ( 18.417 18.338 -10.810) 28.148 26.835 ( 3.419 -18.451 28.964) 34.511 ======================= Grid point 1319 (248/396) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.659 ( -28.615 -12.088 24.537) 39.585 7.938 ( -41.431 -15.304 3.546) 44.310 9.556 ( -21.530 -11.052 -18.698) 30.583 10.533 ( -29.545 2.889 -11.890) 31.979 11.944 ( -33.581 -4.694 0.891) 33.919 13.298 ( -39.838 -5.598 17.926) 44.042 14.944 ( -33.185 -0.576 1.531) 33.225 17.193 ( -34.828 2.108 1.928) 34.945 18.581 ( 2.452 -8.610 -8.982) 12.681 18.803 ( 25.982 5.216 -0.474) 26.504 19.605 ( 6.068 10.934 -1.096) 12.553 20.537 ( 10.534 -8.323 -11.457) 17.649 21.140 ( 0.339 2.650 0.383) 2.699 26.436 ( -8.068 -14.921 -0.672) 16.976 26.974 ( 17.074 13.902 17.300) 28.001 ======================= Grid point 1320 (249/396) ======================= q-point: (-0.25 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.967 ( -47.735 -15.993 18.050) 53.481 7.019 ( -35.098 -15.541 33.372) 50.863 9.141 ( -19.282 -3.318 -21.564) 29.117 10.017 ( -34.310 1.060 -2.926) 34.451 11.215 ( -44.630 -5.588 -2.064) 45.026 12.752 ( -22.906 3.694 3.829) 23.516 14.400 ( -29.037 -2.106 3.301) 29.299 16.498 ( -46.332 3.593 2.879) 46.560 18.657 ( 11.230 -3.727 -9.491) 15.168 19.303 ( 26.748 3.422 1.442) 27.005 19.823 ( 9.082 6.293 -0.391) 11.056 20.637 ( 9.548 -6.504 -10.645) 15.709 21.180 ( 2.364 0.931 -2.256) 3.398 26.019 ( -19.000 -19.543 6.643) 28.055 27.419 ( 14.866 18.147 7.213) 24.542 ======================= Grid point 1328 (250/396) ======================= q-point: ( 0.15 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.451 ( 7.982 31.318 30.573) 44.489 7.639 ( 10.616 47.230 5.109) 48.678 9.404 ( 4.691 16.104 -20.500) 26.488 10.562 ( 15.152 28.458 -11.483) 34.224 11.930 ( 22.174 29.963 3.796) 37.468 13.364 ( 29.871 27.772 12.278) 42.595 14.941 ( 17.778 30.503 1.448) 35.336 17.340 ( 31.943 29.309 3.083) 43.461 18.425 ( -10.946 -4.832 -9.759) 15.441 18.892 ( -8.892 -22.624 -1.569) 24.360 19.714 ( -4.833 -4.578 -0.346) 6.666 20.415 ( -7.759 -8.236 -13.197) 17.384 21.148 ( -1.597 -0.166 1.075) 1.933 26.026 ( -17.017 17.740 12.359) 27.514 27.351 ( 10.206 -24.775 5.110) 27.278 ======================= Grid point 1329 (251/396) ======================= q-point: ( 0.20 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.887 ( 8.994 27.280 23.225) 36.939 8.228 ( 9.200 37.291 -2.073) 38.465 9.659 ( 7.026 17.910 -17.570) 26.055 11.113 ( 13.434 33.338 -5.334) 36.337 12.533 ( 20.575 20.558 2.252) 29.172 14.222 ( 37.774 23.860 11.390) 46.108 15.581 ( 20.182 32.560 -0.311) 38.309 17.953 ( 8.551 -6.819 4.771) 11.932 18.312 ( 4.461 17.017 -10.199) 20.335 18.614 ( 0.876 -15.549 -7.140) 17.132 19.586 ( -8.782 4.672 -0.277) 9.951 20.227 ( -3.691 -8.468 -10.807) 14.217 21.129 ( -1.877 2.587 2.721) 4.197 25.803 ( -24.635 9.870 14.328) 30.159 27.264 ( 9.521 -27.720 5.969) 29.911 ======================= Grid point 1330 (252/396) ======================= q-point: ( 0.25 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.274 ( 7.540 22.010 15.455) 27.931 8.677 ( 6.628 27.525 -4.279) 28.633 10.012 ( 11.744 20.777 -12.624) 27.000 11.649 ( 8.966 35.853 0.760) 36.965 13.069 ( 20.842 18.086 1.411) 27.631 15.023 ( 33.971 11.973 2.976) 36.142 16.223 ( 18.574 27.691 -1.447) 33.375 17.742 ( -9.798 -10.432 1.054) 14.350 18.371 ( -4.173 -6.315 -16.234) 17.912 18.769 ( 8.443 0.058 -1.809) 8.635 19.616 ( 4.140 15.544 -0.022) 16.086 20.183 ( 6.967 -2.207 -4.343) 8.501 21.140 ( -2.019 6.666 3.155) 7.647 25.403 ( -29.192 3.067 13.149) 32.163 27.126 ( 7.563 -30.083 8.944) 32.283 ======================= Grid point 1331 (253/396) ======================= q-point: ( 0.30 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.569 ( 5.228 16.176 8.831) 19.157 9.013 ( 4.051 22.832 -2.061) 23.280 10.429 ( 13.641 17.907 -7.819) 23.831 12.109 ( 3.265 36.437 3.642) 36.764 13.600 ( 20.252 18.182 0.221) 27.217 15.588 ( 25.138 1.114 -6.350) 25.952 16.653 ( 8.155 7.459 -1.789) 11.196 17.558 ( -4.756 1.954 -3.894) 6.450 18.194 ( -9.117 -5.602 -15.856) 19.129 18.708 ( -11.250 0.737 -0.320) 11.279 19.966 ( 18.836 10.510 2.160) 21.678 20.431 ( 18.051 2.806 0.233) 18.269 21.211 ( -0.047 13.117 3.379) 13.545 24.897 ( -30.030 -1.736 10.225) 31.770 26.938 ( 6.112 -31.171 12.487) 34.131 ======================= Grid point 1332 (254/396) ======================= q-point: ( 0.35 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.779 ( 3.856 11.513 5.333) 13.261 9.259 ( -0.351 20.194 -0.236) 20.198 10.796 ( 12.547 10.672 -2.977) 16.738 12.470 ( -3.346 36.882 3.449) 37.194 14.080 ( 14.872 15.829 -1.559) 21.775 15.928 ( 18.549 -4.879 -11.811) 22.525 16.635 ( -4.026 -11.719 -2.316) 12.606 17.538 ( -1.449 -7.389 -14.627) 16.451 18.046 ( -11.469 18.182 -8.135) 22.985 18.502 ( -14.901 5.120 1.826) 15.861 20.417 ( 24.092 3.499 5.339) 24.924 20.692 ( 9.597 -0.750 0.593) 9.645 21.422 ( 6.185 17.575 4.454) 19.156 24.396 ( -24.359 -2.767 6.142) 25.273 26.738 ( 6.534 -30.439 15.729) 34.880 ======================= Grid point 1333 (255/396) ======================= q-point: ( 0.40 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.932 ( 2.897 7.942 3.375) 9.103 9.386 ( -6.083 16.544 0.565) 17.636 11.056 ( 9.775 3.501 0.532) 10.397 12.706 ( -12.004 36.802 1.912) 38.757 14.336 ( 0.075 5.929 -3.145) 6.712 16.190 ( 18.960 -3.361 -13.836) 23.712 16.399 ( -6.318 -15.029 -3.154) 16.605 17.341 ( -3.129 -18.018 -18.374) 25.924 18.068 ( -19.771 27.418 -3.291) 33.963 18.379 ( -6.075 12.307 3.058) 14.061 20.685 ( 5.367 -8.436 5.535) 11.429 20.847 ( 12.701 0.309 0.749) 12.726 21.658 ( 0.175 13.202 6.306) 14.632 24.107 ( -6.652 2.846 1.650) 7.421 26.582 ( 9.384 -28.056 18.190) 34.728 ======================= Grid point 1334 (256/396) ======================= q-point: (-0.55 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.033 ( 1.651 4.652 1.082) 5.053 9.373 ( -11.663 11.465 1.623) 16.435 11.193 ( 5.028 -1.909 0.447) 5.396 12.768 ( -22.504 34.821 0.298) 41.461 14.168 ( -17.793 -6.886 -1.958) 19.179 16.128 ( -7.116 -16.101 -7.207) 19.022 16.564 ( 23.512 3.105 -11.487) 26.352 17.145 ( -0.567 -14.643 -14.906) 20.903 17.891 ( -26.288 21.765 0.148) 34.129 18.495 ( -0.739 17.306 1.313) 17.372 20.582 ( -4.226 -11.701 4.598) 13.263 20.968 ( 3.669 -6.469 0.443) 7.450 21.629 ( -13.628 6.099 5.940) 16.069 24.275 ( 16.244 12.820 -0.433) 20.698 26.514 ( 13.298 -25.387 19.616) 34.730 ======================= Grid point 1335 (257/396) ======================= q-point: (-0.50 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.074 ( -0.156 0.734 -1.845) 1.992 9.219 ( -16.538 6.339 3.546) 18.063 11.170 ( -3.415 -6.826 -4.375) 8.798 12.610 ( -33.169 28.908 -0.991) 44.010 13.698 ( -24.633 -9.568 2.645) 26.558 15.799 ( -12.908 -18.044 -4.885) 22.718 16.895 ( 2.244 -5.220 -15.313) 16.333 17.125 ( 16.598 1.578 -6.507) 17.897 17.671 ( -22.116 21.363 0.821) 30.760 18.653 ( 1.403 13.310 0.615) 13.397 20.341 ( -9.088 -12.498 2.907) 15.724 20.834 ( -7.904 -13.744 -0.830) 15.876 21.416 ( -15.340 6.402 3.947) 17.085 24.820 ( 26.805 19.025 -0.329) 32.872 26.521 ( 15.404 -24.057 20.240) 35.010 ======================= Grid point 1336 (258/396) ======================= q-point: (-0.45 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.929 ( -18.057 -3.075 7.376) 19.746 9.043 ( -6.386 1.390 -5.372) 8.460 10.913 ( -16.316 -12.471 -12.252) 23.913 12.217 ( -39.263 18.568 -0.476) 43.435 13.225 ( -23.182 -2.549 6.046) 24.093 15.315 ( -23.384 -17.546 1.999) 29.303 16.651 ( -22.420 -1.410 -7.923) 23.820 17.455 ( 9.919 3.195 -0.359) 10.427 17.691 ( 4.885 19.541 -8.413) 21.829 18.792 ( 2.873 6.176 -0.252) 6.816 20.045 ( -14.234 -8.434 0.245) 16.547 20.492 ( -10.794 -15.999 -2.981) 19.529 21.276 ( -9.160 6.397 2.827) 11.525 25.496 ( 27.733 21.931 -0.543) 35.360 26.540 ( 14.015 -24.314 20.906) 34.995 ======================= Grid point 1337 (259/396) ======================= q-point: (-0.40 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.532 ( -22.886 -6.303 12.992) 27.060 8.873 ( -13.943 -3.588 -7.174) 16.086 10.392 ( -26.404 -15.870 -17.136) 35.252 11.690 ( -38.343 10.206 -1.077) 39.693 12.841 ( -22.839 1.885 4.554) 23.365 14.679 ( -34.308 -10.444 11.046) 37.525 16.160 ( -34.377 1.963 -3.919) 34.656 17.613 ( 4.498 7.884 2.248) 9.351 18.060 ( 16.336 11.866 -10.799) 22.898 18.801 ( -4.845 -6.758 -1.960) 8.544 19.718 ( -15.577 1.218 -0.007) 15.625 20.277 ( 1.898 -11.562 -8.040) 14.210 21.205 ( -4.928 2.949 2.712) 6.351 26.159 ( 23.305 21.596 -5.157) 32.188 26.507 ( 10.624 -23.492 25.414) 36.202 ======================= Grid point 1338 (260/396) ======================= q-point: (-0.35 0.15 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.033 ( -27.065 -8.640 20.789) 35.204 8.437 ( -31.061 -9.940 -4.017) 32.860 9.810 ( -22.992 -12.124 -18.602) 31.964 11.128 ( -35.624 3.832 -6.035) 36.334 12.443 ( -27.088 1.818 1.935) 27.218 13.985 ( -41.087 2.007 16.347) 44.265 15.558 ( -37.419 1.380 -1.127) 37.461 17.696 ( -11.418 12.245 2.560) 16.937 18.454 ( 16.993 4.526 -3.043) 17.846 18.519 ( -6.720 -10.647 -9.461) 15.749 19.633 ( -0.348 5.185 -0.152) 5.199 20.288 ( 9.146 -7.398 -11.907) 16.738 21.162 ( -1.792 0.017 2.414) 3.006 26.308 ( 1.399 -23.141 9.560) 25.077 26.820 ( 20.982 20.978 9.836) 31.258 ======================= Grid point 1349 (261/396) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.391 ( 5.491 23.841 15.862) 29.158 8.805 ( 6.938 21.034 -5.481) 22.817 10.120 ( 3.965 28.016 -16.260) 32.634 11.776 ( 17.629 33.799 0.792) 38.129 12.926 ( 18.134 19.574 0.882) 26.698 14.671 ( 24.302 21.975 7.913) 33.706 16.190 ( 17.755 28.068 -4.003) 33.452 17.737 ( -2.214 -11.467 3.254) 12.124 18.305 ( 3.874 -14.202 -11.844) 18.894 18.663 ( 4.233 13.071 -3.031) 14.070 19.740 ( 2.937 11.432 0.752) 11.828 20.113 ( -4.139 -2.428 -8.890) 10.103 21.212 ( 0.983 5.707 3.475) 6.754 25.950 ( -29.418 4.982 14.070) 32.987 26.663 ( 9.172 -33.114 7.409) 35.151 ======================= Grid point 1350 (262/396) ======================= q-point: ( 0.25 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.666 ( 2.927 17.436 9.487) 20.065 9.124 ( 7.927 18.888 -0.478) 20.490 10.462 ( 5.778 22.833 -12.172) 26.512 12.362 ( 10.401 36.518 3.773) 38.158 13.457 ( 20.380 21.501 -1.341) 29.655 15.211 ( 21.690 7.577 -2.886) 23.156 16.612 ( 6.766 10.137 -5.551) 13.392 17.584 ( -2.527 -7.817 -3.654) 8.991 18.267 ( 0.625 -0.045 -8.787) 8.810 18.789 ( 1.248 1.698 -0.876) 2.282 19.915 ( 1.657 14.709 -0.074) 14.802 20.180 ( 12.867 1.399 -1.967) 13.091 21.318 ( 2.052 11.301 3.902) 12.130 25.434 ( -33.291 0.166 12.952) 35.722 26.479 ( 8.751 -35.354 9.650) 37.678 ======================= Grid point 1351 (263/396) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.846 ( 1.909 11.818 6.468) 13.607 9.430 ( 4.728 20.109 2.937) 20.865 10.742 ( 6.517 12.639 -6.276) 15.543 12.849 ( 3.601 38.632 2.440) 38.876 14.009 ( 16.995 23.483 -3.793) 29.235 15.563 ( 18.057 -3.414 -11.229) 21.536 16.613 ( -5.001 -7.947 -5.146) 10.708 17.442 ( -2.312 -16.989 -13.658) 21.921 18.374 ( -1.621 23.223 -2.883) 23.457 18.762 ( -7.264 4.894 0.497) 8.773 20.134 ( 12.005 6.384 3.060) 13.937 20.452 ( 15.535 -0.862 0.827) 15.580 21.516 ( 4.664 17.618 4.193) 18.701 24.857 ( -32.094 -2.313 9.808) 33.639 26.278 ( 8.982 -35.497 12.795) 38.787 ======================= Grid point 1352 (264/396) ======================= q-point: ( 0.35 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.972 ( 1.590 7.997 5.958) 10.098 9.649 ( -2.652 19.655 3.326) 20.110 10.935 ( 7.478 2.987 -0.465) 8.066 13.236 ( -4.309 40.448 -0.266) 40.678 14.420 ( 4.065 18.629 -7.063) 20.334 15.808 ( 19.183 -7.284 -14.065) 24.877 16.381 ( -8.222 -13.217 -6.045) 16.698 17.187 ( -2.598 -22.892 -16.508) 28.343 18.595 ( -4.146 27.518 -0.148) 27.829 18.662 ( -15.268 14.970 0.654) 21.393 20.383 ( 14.929 -7.253 6.320) 17.760 20.653 ( 11.265 -3.451 0.774) 11.807 21.793 ( 3.924 20.054 4.842) 21.000 24.363 ( -21.677 -0.357 6.076) 22.516 26.103 ( 10.872 -33.599 15.432) 38.539 ======================= Grid point 1353 (265/396) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.056 ( 0.828 4.628 5.215) 7.021 9.710 ( -11.022 16.190 3.329) 19.867 11.062 ( 7.287 -2.863 2.226) 8.139 13.472 ( -15.396 40.447 -2.091) 43.328 14.429 ( -15.754 3.282 -8.836) 18.358 16.064 ( 2.434 -13.914 -16.163) 21.465 16.188 ( 15.721 -1.696 -4.976) 16.577 16.961 ( 1.745 -20.144 -15.436) 25.438 18.519 ( -20.234 18.415 2.039) 27.435 18.758 ( -8.063 25.078 -0.018) 26.342 20.444 ( 5.674 -14.905 6.676) 17.289 20.779 ( 8.769 -7.620 0.495) 11.628 21.936 ( -9.388 14.377 5.395) 17.998 24.220 ( 2.139 9.017 3.205) 9.805 25.999 ( 14.205 -30.830 17.141) 38.027 ======================= Grid point 1355 (266/396) ======================= q-point: (-0.55 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.086 ( -0.773 0.858 3.509) 3.694 9.600 ( -17.237 11.088 4.210) 20.923 11.111 ( 2.858 -6.063 0.035) 6.703 13.467 ( -30.210 34.140 -3.462) 45.719 14.043 ( -24.313 -4.706 -4.823) 25.229 15.804 ( -8.140 -16.680 -11.021) 21.585 16.630 ( 23.397 2.764 -13.689) 27.248 16.874 ( 8.646 -11.505 -9.445) 17.214 18.329 ( -25.546 22.536 1.843) 34.115 18.825 ( -6.427 14.680 1.007) 16.057 20.330 ( -2.550 -11.608 4.524) 12.717 20.754 ( 0.452 -14.931 0.152) 14.938 21.779 ( -18.790 7.821 4.716) 20.892 24.589 ( 21.914 19.164 2.619) 29.229 25.977 ( 17.284 -28.848 18.036) 38.160 ======================= Grid point 1356 (267/396) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.030 ( -4.838 -4.013 2.671) 6.829 9.367 ( -19.641 7.258 4.284) 21.373 11.006 ( -7.288 -9.425 -6.524) 13.584 13.069 ( -41.232 12.494 -2.081) 43.134 13.643 ( -24.171 7.265 -0.080) 25.240 15.472 ( -13.333 -13.748 -7.149) 20.442 16.763 ( 1.740 -6.806 -11.507) 13.482 17.192 ( 22.128 4.834 -8.276) 24.114 18.118 ( -23.316 22.333 1.083) 32.304 18.842 ( -2.627 4.773 0.760) 5.501 20.162 ( -7.484 -4.080 1.234) 8.613 20.508 ( -9.104 -17.914 -0.641) 20.105 21.539 ( -15.514 4.623 3.891) 16.649 25.243 ( 28.077 23.765 2.618) 36.877 26.003 ( 18.058 -28.181 18.783) 38.381 ======================= Grid point 1357 (268/396) ======================= q-point: (-0.45 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.803 ( -15.542 -7.457 8.435) 19.192 9.113 ( -16.346 3.121 -1.387) 16.699 10.659 ( -20.589 -12.561 -13.628) 27.702 12.435 ( -40.180 2.845 2.258) 40.343 13.300 ( -26.026 8.419 0.464) 27.358 15.088 ( -21.620 -3.574 0.485) 21.919 16.620 ( -15.795 -1.325 -8.068) 17.785 17.525 ( 11.552 3.664 -2.276) 12.331 18.076 ( -2.623 17.492 -5.641) 18.565 18.818 ( -2.546 -2.498 -0.851) 3.667 19.990 ( -13.664 2.114 0.370) 13.832 20.185 ( -5.859 -13.727 -4.416) 15.565 21.350 ( -10.100 0.930 3.613) 10.767 25.937 ( 23.616 9.065 -4.141) 25.633 26.043 ( 19.499 -12.205 25.910) 34.649 ======================= Grid point 1371 (269/396) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.939 ( 0.166 10.193 5.592) 11.627 9.467 ( 12.201 16.796 4.697) 21.285 10.829 ( -1.125 13.363 -7.778) 15.502 13.081 ( 12.963 36.787 0.542) 39.008 13.891 ( 25.170 21.336 -3.460) 33.178 15.342 ( 6.716 6.540 -9.613) 13.427 16.655 ( -6.353 -3.159 -8.081) 10.754 17.307 ( -4.189 -20.713 -10.923) 23.788 18.454 ( 18.793 16.237 0.000) 24.836 18.843 ( -0.457 4.337 1.002) 4.475 20.193 ( -6.033 13.443 0.034) 14.735 20.214 ( 10.906 1.440 0.628) 11.019 21.576 ( 7.576 14.820 4.174) 17.160 25.410 ( -34.177 -3.187 10.284) 35.833 25.764 ( 8.263 -36.005 12.115) 38.877 ======================= Grid point 1372 (270/396) ======================= q-point: ( 0.30 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.028 ( 0.642 6.794 6.809) 9.640 9.814 ( 6.822 18.998 5.882) 21.025 10.891 ( 0.006 2.320 -1.714) 2.884 13.610 ( 5.992 38.436 -3.648) 39.071 14.505 ( 16.689 26.064 -6.382) 31.601 15.463 ( 8.883 -6.425 -15.851) 19.273 16.431 ( -10.944 -9.508 -8.310) 16.710 16.995 ( -3.990 -26.551 -13.374) 29.995 18.863 ( -3.344 17.088 2.947) 17.660 18.940 ( 8.932 19.448 0.227) 21.402 20.198 ( -1.353 -0.696 4.128) 4.399 20.401 ( 12.260 -3.708 0.536) 12.820 21.892 ( 8.412 20.301 4.433) 22.418 24.810 ( -31.217 -2.487 8.969) 32.575 25.575 ( 10.690 -34.981 13.223) 38.895 ======================= Grid point 1373 (271/396) ======================= q-point: ( 0.35 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.092 ( 0.308 4.205 7.768) 8.839 10.029 ( -4.718 18.794 5.207) 20.065 10.908 ( 4.904 -5.662 2.761) 7.983 14.028 ( -2.579 39.362 -6.141) 39.922 14.787 ( -13.906 17.383 -12.287) 25.426 15.644 ( 24.603 -9.228 -15.111) 30.312 16.145 ( -9.431 -9.984 -8.280) 16.037 16.704 ( 1.437 -25.479 -13.986) 29.101 18.900 ( -8.720 15.704 4.132) 18.432 19.226 ( -7.943 28.984 -0.073) 30.053 20.154 ( 6.828 -15.073 6.868) 17.916 20.536 ( 10.183 -8.894 0.157) 13.521 22.188 ( 0.204 19.121 4.449) 19.633 24.392 ( -14.891 3.729 7.028) 16.883 25.448 ( 13.342 -32.191 14.609) 37.785 ======================= Grid point 1374 (272/396) ======================= q-point: (-0.60 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.115 ( -1.082 1.464 7.301) 7.525 10.004 ( -15.932 12.989 5.195) 21.202 10.958 ( 7.504 -7.001 3.125) 10.728 14.258 ( -17.576 38.578 -5.800) 42.788 14.448 ( -29.123 -1.918 -12.308) 31.675 15.741 ( -3.105 -18.364 -16.185) 24.674 16.239 ( 24.886 5.987 -9.348) 27.250 16.579 ( 9.187 -17.697 -11.845) 23.192 18.871 ( -14.213 17.603 3.720) 22.929 19.210 ( -19.584 17.588 1.426) 26.361 20.168 ( 9.133 -10.541 5.845) 15.122 20.555 ( 5.134 -14.411 -0.035) 15.298 22.181 ( -17.122 9.523 4.467) 20.095 24.470 ( 11.942 16.399 5.726) 21.079 25.397 ( 16.169 -29.668 15.686) 37.252 ======================= Grid point 1375 (273/396) ======================= q-point: (-0.55 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.075 ( -3.766 -1.696 5.831) 7.145 9.780 ( -20.449 6.411 5.948) 22.241 10.977 ( 1.228 -6.699 -1.165) 6.909 13.797 ( -38.528 -4.052 -6.412) 39.267 14.224 ( -26.181 23.760 -4.488) 35.638 15.501 ( -4.868 -12.322 -14.692) 19.783 16.564 ( 11.093 -8.176 -11.915) 18.217 16.828 ( 26.465 6.108 -9.388) 28.738 18.744 ( -22.724 18.282 2.018) 29.235 18.991 ( -13.263 0.545 2.527) 13.513 20.216 ( 0.796 1.429 2.979) 3.398 20.428 ( -1.966 -16.216 0.164) 16.336 21.892 ( -21.180 3.011 4.387) 21.838 25.011 ( 25.799 21.630 4.035) 33.907 25.411 ( 18.112 -26.353 17.787) 36.591 ======================= Grid point 1392 (274/396) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.120 ( 0.654 2.710 8.393) 8.844 10.165 ( 10.781 16.070 6.289) 20.348 10.846 ( -6.074 -6.143 2.741) 9.064 14.334 ( 8.245 34.432 -11.190) 37.132 14.927 ( 34.198 10.456 -6.873) 36.416 15.370 ( -15.367 1.938 -18.926) 24.456 16.272 ( -14.193 -6.011 -11.167) 19.033 16.445 ( -3.810 -28.192 -10.425) 30.299 19.101 ( 6.067 10.741 4.392) 13.094 19.383 ( 15.242 20.108 3.168) 25.430 20.085 ( -9.310 -10.282 5.625) 14.968 20.339 ( -0.963 -2.309 -1.553) 2.945 22.280 ( 10.455 17.679 4.037) 20.932 24.727 ( -15.080 -9.018 6.916) 18.883 24.997 ( -1.925 -18.625 15.181) 24.106 ======================= Grid point 1393 (275/396) ======================= q-point: ( 0.35 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.142 ( -0.417 1.115 9.237) 9.314 10.373 ( -9.646 15.266 5.708) 18.938 10.731 ( 7.547 -11.189 4.824) 14.333 14.733 ( -3.080 28.951 -13.613) 32.140 15.003 ( -25.703 3.122 -15.323) 30.086 15.463 ( 17.284 -9.427 -12.361) 23.246 16.042 ( 0.708 1.487 -9.553) 9.694 16.241 ( 7.506 -19.214 -11.775) 23.752 19.222 ( -7.955 14.329 5.164) 17.184 19.691 ( -13.149 13.796 3.911) 19.456 19.863 ( 10.489 -9.538 6.711) 15.685 20.317 ( 6.346 -11.412 -2.606) 13.316 22.482 ( -5.287 8.948 3.476) 10.960 24.531 ( -4.008 10.671 9.318) 14.722 24.889 ( 11.465 -23.026 13.100) 28.866 ======================= Grid point 1684 (276/396) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 396 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.368 ( 0.000 0.000 59.652) 59.652 5.368 ( 0.000 0.000 59.652) 59.652 7.547 ( 0.000 0.000 -46.891) 46.891 7.547 ( 0.000 0.000 -46.891) 46.891 8.918 ( 0.000 0.000 104.728) 104.728 12.797 ( -0.000 0.000 -90.252) 90.252 13.243 ( 0.000 0.000 3.870) 3.870 13.243 ( 0.000 -0.000 3.870) 3.870 20.261 ( -0.000 0.000 0.095) 0.095 20.261 ( 0.000 0.000 0.095) 0.095 20.986 ( -0.000 0.000 9.139) 9.139 20.994 ( -0.000 0.000 -0.342) 0.342 20.994 ( 0.000 -0.000 -0.342) 0.342 23.170 ( -0.000 0.000 3.736) 3.736 28.376 ( -0.000 0.000 -1.245) 1.245 ======================= Grid point 1685 (277/396) ======================= q-point: ( 0.05 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.286 ( 3.653 2.109 60.016) 60.164 5.844 ( 28.278 16.326 57.404) 66.041 7.589 ( 10.459 6.039 -49.436) 50.889 7.777 ( 13.126 7.579 -44.362) 46.879 9.027 ( 10.358 5.980 97.787) 98.516 12.503 ( -16.683 -9.632 -65.505) 68.279 13.285 ( 4.739 2.736 4.833) 7.301 13.674 ( 28.541 16.478 -14.028) 35.818 19.892 ( -24.766 -14.299 2.451) 28.702 20.198 ( -4.563 -2.635 0.424) 5.286 20.865 ( -10.166 -5.869 1.270) 11.807 21.047 ( 2.791 1.612 -1.520) 3.563 21.077 ( 2.746 1.586 4.275) 5.322 23.562 ( 30.663 17.703 2.595) 35.502 28.324 ( -4.074 -2.352 -0.838) 4.778 ======================= Grid point 1686 (278/396) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.519 ( 16.238 9.375 55.192) 58.290 6.496 ( 26.689 15.409 57.153) 64.932 7.965 ( 19.915 11.498 -47.657) 52.915 8.135 ( 18.329 10.582 -39.795) 45.073 9.453 ( 29.094 16.798 75.671) 82.793 12.192 ( -8.858 -5.114 -50.501) 51.527 13.460 ( 10.662 6.156 5.284) 13.397 14.439 ( 38.397 22.169 -11.936) 45.916 19.344 ( -22.209 -12.822 1.750) 25.704 20.061 ( -7.427 -4.288 0.178) 8.578 20.544 ( -17.544 -10.129 1.923) 20.349 21.049 ( -4.593 -2.652 1.072) 5.411 21.108 ( 2.397 1.384 -1.934) 3.377 24.345 ( 34.555 19.950 2.555) 39.982 28.221 ( -4.377 -2.527 -1.188) 5.192 ======================= Grid point 1687 (279/396) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.984 ( 23.867 13.780 46.123) 53.730 7.028 ( 20.968 12.106 55.976) 60.988 8.360 ( 13.915 8.034 -37.332) 40.643 8.601 ( 22.625 13.063 -33.046) 42.125 10.352 ( 47.338 27.331 43.636) 69.943 12.184 ( 9.914 5.724 -34.427) 36.281 13.766 ( 16.280 9.399 4.923) 19.433 15.388 ( 44.646 25.776 -9.131) 52.355 18.899 ( -17.111 -9.879 0.022) 19.758 19.865 ( -9.842 -5.682 -0.107) 11.365 20.096 ( -21.394 -12.352 1.479) 24.748 20.897 ( -8.288 -4.785 -0.463) 9.581 21.147 ( 0.832 0.480 -1.916) 2.143 25.018 ( 23.552 13.598 6.268) 27.909 28.146 ( -1.961 -1.132 -2.974) 3.738 ======================= Grid point 1688 (280/396) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.561 ( 26.314 15.193 35.043) 46.382 7.472 ( 18.335 10.586 52.118) 56.254 8.633 ( 11.736 6.776 -31.943) 34.699 9.152 ( 25.749 14.866 -24.717) 38.665 11.387 ( 39.743 22.946 16.491) 48.764 12.725 ( 38.810 22.407 -14.320) 47.047 14.191 ( 20.978 12.112 3.720) 24.507 16.425 ( 45.699 26.384 -9.874) 53.685 18.563 ( -12.409 -7.164 -0.210) 14.330 19.597 ( -22.166 -12.798 -0.083) 25.595 19.617 ( -12.027 -6.944 -0.042) 13.888 20.691 ( -9.539 -5.507 -0.537) 11.027 21.141 ( -1.395 -0.806 -1.742) 2.372 25.389 ( 9.183 5.302 10.890) 15.200 28.132 ( 0.393 0.227 -4.216) 4.241 ======================= Grid point 1689 (281/396) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.148 ( 24.964 14.413 24.205) 37.641 7.852 ( 14.888 8.595 40.134) 43.661 8.954 ( 17.420 10.057 -22.155) 29.924 9.755 ( 27.117 15.656 -16.203) 35.256 12.137 ( 28.610 16.518 1.610) 33.075 13.828 ( 53.707 31.008 -1.600) 62.036 14.706 ( 24.136 13.935 1.909) 27.935 17.367 ( 32.958 19.028 -16.607) 41.523 18.382 ( -0.983 -0.568 3.955) 4.115 19.123 ( -18.148 -10.478 -2.433) 21.096 19.323 ( -13.813 -7.975 0.559) 15.960 20.483 ( -8.237 -4.756 1.044) 9.568 21.082 ( -3.788 -2.187 -1.604) 4.659 25.451 ( -3.137 -1.811 13.247) 13.734 28.145 ( 0.282 0.163 -2.934) 2.952 ======================= Grid point 1690 (282/396) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.677 ( 21.438 12.377 15.268) 29.084 8.149 ( 11.609 6.703 23.676) 27.208 9.427 ( 23.784 13.732 -8.042) 28.617 10.363 ( 26.069 15.051 -8.991) 31.416 12.750 ( 26.089 15.062 -0.715) 30.133 14.989 ( 46.068 26.597 -0.811) 53.201 15.270 ( 25.268 14.589 -0.131) 29.178 17.688 ( -1.470 -0.849 -18.135) 18.214 18.424 ( -8.562 -4.943 -4.049) 10.683 18.996 ( -14.804 -8.547 1.687) 17.177 19.081 ( 23.821 13.753 1.542) 27.549 20.359 ( -1.299 -0.750 3.692) 3.985 20.972 ( -5.807 -3.353 -1.621) 6.899 25.271 ( -12.192 -7.039 13.186) 19.289 28.126 ( -2.178 -1.257 0.360) 2.540 ======================= Grid point 1691 (283/396) ======================= q-point: ( 0.35 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.113 ( 16.883 9.748 8.817) 21.396 8.391 ( 9.930 5.733 12.058) 16.640 9.995 ( 25.452 14.695 1.151) 29.412 10.917 ( 22.291 12.870 -3.731) 26.009 13.328 ( 24.862 14.354 0.099) 28.709 15.831 ( 27.241 15.728 -3.692) 31.671 15.833 ( 24.021 13.868 -2.038) 27.812 17.534 ( -10.383 -5.995 -9.824) 15.500 18.118 ( -14.464 -8.351 -14.843) 22.345 18.661 ( -14.543 -8.396 3.141) 17.084 19.788 ( 31.546 18.213 2.527) 36.514 20.507 ( 15.667 9.045 4.057) 18.540 20.826 ( -6.860 -3.961 -1.822) 8.128 24.920 ( -18.305 -10.568 11.764) 24.190 28.042 ( -5.144 -2.970 4.198) 7.273 ======================= Grid point 1692 (284/396) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.439 ( 11.912 6.877 4.490) 14.469 8.601 ( 8.561 4.942 5.102) 11.124 10.543 ( 22.179 12.805 4.707) 26.039 11.355 ( 15.981 9.227 -0.145) 18.454 13.871 ( 22.697 13.104 1.525) 26.252 16.240 ( 10.188 5.882 -7.683) 14.051 16.337 ( 19.874 11.474 -3.515) 23.216 17.251 ( -13.683 -7.900 -2.800) 16.046 17.791 ( -14.628 -8.446 -18.308) 24.910 18.350 ( -12.477 -7.204 4.551) 15.109 20.463 ( 28.875 16.671 3.492) 33.524 20.673 ( -6.343 -3.662 -2.150) 7.634 21.004 ( 24.427 14.103 1.565) 28.249 24.470 ( -20.453 -11.808 9.197) 25.344 27.904 ( -6.670 -3.851 7.715) 10.902 ======================= Grid point 1693 (285/396) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.652 ( 6.838 3.948 1.568) 8.050 8.775 ( 6.725 3.883 0.072) 7.766 10.972 ( 15.103 8.720 4.198) 17.938 11.627 ( 7.782 4.493 2.353) 9.289 14.320 ( 15.510 8.955 3.385) 18.227 16.350 ( 0.449 0.259 -11.192) 11.204 16.701 ( 11.250 6.495 -3.998) 13.592 16.966 ( -10.069 -5.813 1.652) 11.743 17.473 ( -12.452 -7.189 -16.207) 21.666 18.119 ( -7.133 -4.118 5.157) 9.718 20.553 ( -3.910 -2.257 -2.474) 5.148 21.058 ( 20.983 12.115 2.710) 24.381 21.479 ( 15.620 9.018 2.184) 18.169 24.059 ( -13.559 -7.828 4.287) 16.233 27.761 ( -5.420 -3.129 10.627) 12.333 ======================= Grid point 1694 (286/396) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.750 ( 1.861 1.075 -0.578) 2.226 8.902 ( 4.422 2.553 -4.516) 6.817 11.210 ( 5.527 3.191 0.265) 6.388 11.701 ( -1.357 -0.784 4.107) 4.396 14.483 ( -3.000 -1.732 6.141) 7.051 16.323 ( -0.988 -0.571 -11.770) 11.825 16.803 ( -2.718 -1.569 -2.182) 3.822 16.835 ( -1.579 -0.912 3.958) 4.358 17.272 ( -4.581 -2.645 -12.119) 13.223 18.064 ( 2.581 1.490 3.500) 4.597 20.507 ( -0.067 -0.039 -2.597) 2.599 21.291 ( -1.872 -1.081 3.666) 4.256 21.650 ( -1.246 -0.720 3.938) 4.193 23.973 ( 7.507 4.334 -3.311) 9.280 27.677 ( -1.777 -1.026 12.911) 13.073 ======================= Grid point 1696 (287/396) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.738 ( -2.858 -1.650 -2.324) 4.036 8.974 ( 1.853 1.070 -8.881) 9.135 11.210 ( -5.746 -3.318 -6.468) 9.266 11.566 ( -10.467 -6.043 5.147) 13.136 14.192 ( -20.555 -11.868 9.552) 25.585 16.290 ( -4.482 -2.588 -6.203) 8.078 16.601 ( -13.998 -8.082 0.590) 16.174 16.896 ( 7.064 4.079 0.663) 8.184 17.276 ( 4.799 2.770 -4.982) 7.451 18.213 ( 9.659 5.577 0.849) 11.186 20.549 ( 3.629 2.095 -2.324) 4.791 21.013 ( -19.937 -11.511 4.820) 23.520 21.445 ( -15.765 -9.102 2.184) 18.335 24.349 ( 22.936 13.242 -8.450) 27.799 27.678 ( 1.530 0.884 14.788) 14.893 ======================= Grid point 1697 (288/396) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.624 ( -7.141 -4.123 -3.747) 9.057 8.983 ( -1.199 -0.692 -11.935) 12.015 10.947 ( -17.193 -9.927 -14.247) 24.436 11.232 ( -18.836 -10.875 5.401) 22.411 13.655 ( -25.222 -14.562 12.310) 31.619 16.043 ( -18.088 -10.443 5.070) 21.493 16.210 ( -19.841 -11.455 2.132) 23.010 17.094 ( 8.569 4.947 -3.096) 10.368 17.490 ( 14.013 8.090 -0.177) 16.181 18.469 ( 12.466 7.197 -0.677) 14.410 20.489 ( -25.657 -14.813 1.849) 29.684 20.659 ( 5.710 3.297 -1.575) 6.779 21.009 ( -20.068 -11.586 0.245) 23.174 24.911 ( 25.228 14.565 -11.152) 31.192 27.723 ( 1.877 1.084 16.776) 16.916 ======================= Grid point 1698 (289/396) ======================= q-point: (-0.35 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.420 ( -10.758 -6.211 -4.581) 13.240 8.903 ( -6.581 -3.800 -10.373) 12.859 10.467 ( -23.701 -13.684 -21.940) 35.076 10.721 ( -25.996 -15.009 4.777) 30.396 13.084 ( -25.036 -14.454 12.170) 31.366 15.449 ( -34.256 -19.778 16.436) 42.835 15.725 ( -22.542 -13.015 2.688) 26.168 17.253 ( 5.172 2.986 -2.509) 6.478 17.882 ( 19.756 11.406 -0.327) 22.814 18.767 ( 13.624 7.866 -1.432) 15.796 19.828 ( -32.456 -18.739 0.495) 37.481 20.669 ( -8.386 -4.842 -4.086) 10.510 20.793 ( 5.852 3.379 -0.425) 6.771 25.452 ( 21.863 12.623 -13.710) 28.728 27.740 ( -0.720 -0.416 19.467) 19.484 ======================= Grid point 1699 (290/396) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.143 ( -13.478 -7.782 -4.056) 16.083 8.633 ( -18.442 -10.648 0.995) 21.319 9.963 ( -18.685 -10.788 -32.440) 38.960 10.066 ( -31.462 -18.165 2.891) 36.444 12.508 ( -26.190 -15.121 10.405) 31.982 14.522 ( -46.239 -26.696 21.696) 57.632 15.205 ( -23.035 -13.299 2.669) 26.732 17.282 ( -4.860 -2.806 0.466) 5.631 18.352 ( 20.595 11.890 -1.392) 23.821 19.079 ( 13.810 7.973 -1.891) 16.058 19.119 ( -25.804 -14.898 -0.377) 29.798 20.610 ( 2.078 1.200 -7.555) 7.927 20.913 ( 4.572 2.640 0.933) 5.362 25.877 ( 14.862 8.581 -16.998) 24.155 27.688 ( -3.631 -2.097 23.047) 23.425 ======================= Grid point 1700 (291/396) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.815 ( -15.381 -8.880 -0.283) 17.763 8.062 ( -30.712 -17.731 16.547) 39.133 9.313 ( -34.379 -19.849 -1.706) 39.734 9.651 ( -9.834 -5.678 -39.539) 41.138 11.875 ( -30.256 -17.469 12.730) 37.184 13.431 ( -47.739 -27.562 16.220) 57.461 14.694 ( -21.765 -12.566 2.340) 25.241 16.912 ( -28.340 -16.362 4.976) 33.100 18.600 ( 0.261 0.151 -6.853) 6.860 19.020 ( 18.896 10.910 1.919) 21.903 19.386 ( 13.120 7.575 -2.218) 15.311 20.717 ( 6.611 3.817 -8.745) 11.608 20.995 ( 2.605 1.504 2.226) 3.742 26.076 ( 1.253 0.723 -18.996) 19.051 27.614 ( -1.485 -0.858 25.000) 25.059 ======================= Grid point 1701 (292/396) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.311 ( -34.333 -19.822 29.759) 49.571 7.442 ( -17.909 -10.340 11.431) 23.629 8.542 ( -32.564 -18.801 -13.272) 39.875 9.443 ( -10.183 -5.879 -36.126) 37.992 11.096 ( -39.261 -22.667 26.734) 52.630 12.492 ( -31.783 -18.350 -5.226) 37.070 14.228 ( -19.138 -11.049 1.958) 22.186 16.106 ( -39.815 -22.987 4.605) 46.204 18.699 ( 8.627 4.981 -5.924) 11.590 19.542 ( 24.397 14.086 1.750) 28.226 19.669 ( 11.704 6.757 -2.388) 13.723 20.885 ( 7.756 4.478 -8.455) 12.316 21.031 ( 0.615 0.355 3.151) 3.230 25.883 ( -18.398 -10.622 -13.963) 25.422 27.670 ( 6.497 3.751 19.187) 20.602 ======================= Grid point 1702 (293/396) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.544 ( -32.693 -18.875 42.575) 56.901 6.970 ( -24.432 -14.106 34.320) 44.427 7.906 ( -22.042 -12.726 -34.614) 42.964 9.127 ( -18.785 -10.845 -32.572) 39.134 10.142 ( -41.670 -24.058 49.588) 69.095 12.066 ( -6.295 -3.635 -31.166) 32.003 13.834 ( -15.535 -8.969 1.797) 18.028 15.191 ( -39.843 -23.003 0.066) 46.007 18.962 ( 14.284 8.247 -2.950) 16.756 19.913 ( 9.725 5.615 -2.295) 11.462 20.082 ( 22.693 13.102 1.972) 26.278 21.027 ( -0.848 -0.490 3.432) 3.569 21.052 ( 6.580 3.799 -6.978) 10.316 25.280 ( -33.487 -19.334 -6.647) 39.234 27.877 ( 10.818 6.246 10.359) 16.228 ======================= Grid point 1703 (294/396) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1062 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.860 ( -26.710 -15.421 53.869) 62.073 6.354 ( -28.319 -16.350 49.392) 59.236 7.561 ( -8.998 -5.195 -46.411) 47.559 8.559 ( -30.305 -17.497 -43.749) 56.022 9.376 ( -23.862 -13.777 81.685) 86.207 12.141 ( 11.142 6.433 -49.613) 51.254 13.529 ( -11.235 -6.487 2.071) 13.137 14.336 ( -34.903 -20.151 -7.365) 40.970 19.352 ( 20.410 11.784 0.851) 23.583 20.105 ( 7.135 4.119 -1.816) 8.436 20.547 ( 17.797 10.275 2.328) 20.681 21.000 ( -1.299 -0.750 2.871) 3.239 21.163 ( 2.620 1.512 -4.248) 5.215 24.426 ( -40.180 -23.198 -1.489) 46.420 28.123 ( 10.157 5.864 3.782) 12.323 ======================= Grid point 1704 (295/396) ======================= q-point: (-0.05 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1060 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.395 ( -12.472 -7.201 60.089) 61.791 5.759 ( -22.813 -13.171 55.633) 61.554 7.465 ( -0.021 -0.012 -47.844) 47.844 7.906 ( -24.041 -13.880 -46.043) 53.764 9.019 ( -9.242 -5.336 98.701) 99.276 12.489 ( 17.783 10.267 -64.351) 67.547 13.328 ( -6.379 -3.683 2.823) 7.889 13.634 ( -26.528 -15.316 -12.946) 33.255 19.877 ( 24.499 14.144 2.817) 28.429 20.229 ( 3.575 2.064 -0.890) 4.223 20.867 ( 10.007 5.777 2.641) 11.853 20.979 ( -0.319 -0.184 1.436) 1.482 21.140 ( -5.229 -3.019 0.209) 6.041 23.570 ( -31.882 -18.407 2.221) 36.881 28.310 ( 5.880 3.395 -0.110) 6.790 ======================= Grid point 1706 (296/396) ======================= q-point: ( 0.05 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.553 ( 0.253 24.034 56.105) 61.037 6.272 ( 21.745 25.729 54.806) 64.331 7.633 ( 16.655 4.283 -47.173) 50.210 8.248 ( 3.971 32.717 -44.416) 55.308 9.269 ( 13.851 19.714 85.507) 88.837 12.236 ( -6.080 -13.908 -54.029) 56.121 13.433 ( 3.141 11.156 3.802) 12.197 14.172 ( 23.028 32.595 -11.323) 41.485 19.478 ( -13.351 -23.191 1.920) 26.829 20.125 ( -5.307 -5.663 -0.672) 7.791 20.722 ( -8.118 -12.232 2.971) 14.979 20.908 ( -0.752 -5.766 0.289) 5.822 21.185 ( -0.591 2.195 -1.529) 2.740 24.161 ( 20.139 39.427 0.950) 44.283 28.214 ( -1.575 -8.634 0.744) 8.808 ======================= Grid point 1707 (297/396) ======================= q-point: ( 0.10 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.904 ( 10.041 28.472 48.262) 56.927 6.848 ( 18.558 19.944 53.539) 60.071 8.051 ( 23.201 6.675 -39.194) 46.032 8.632 ( 5.145 28.844 -37.476) 47.570 9.939 ( 34.410 32.473 56.729) 73.870 12.112 ( 2.593 -0.792 -40.089) 40.181 13.666 ( 9.500 14.400 4.471) 17.821 14.997 ( 34.649 33.731 -8.118) 49.033 19.042 ( -14.346 -16.265 -0.142) 21.688 19.950 ( -7.667 -7.507 -0.499) 10.741 20.354 ( -19.941 -10.536 2.782) 22.724 20.838 ( 1.600 -12.829 -1.216) 12.985 21.176 ( -1.716 1.318 -1.882) 2.868 24.872 ( 19.349 31.540 2.802) 37.108 28.111 ( -0.036 -8.570 -0.197) 8.572 ======================= Grid point 1708 (298/396) ======================= q-point: ( 0.15 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.419 ( 16.067 29.306 37.708) 50.387 7.314 ( 15.909 16.665 51.273) 56.212 8.460 ( 15.895 6.898 -31.442) 35.900 9.038 ( 12.623 26.592 -30.086) 42.091 10.947 ( 41.282 31.408 28.447) 59.160 12.392 ( 23.433 16.830 -22.549) 36.617 14.033 ( 15.008 17.608 3.987) 23.477 15.976 ( 40.646 33.331 -7.246) 53.062 18.678 ( -12.137 -12.054 -1.377) 17.161 19.699 ( -11.469 -12.831 -0.023) 17.210 19.897 ( -21.329 -7.180 1.085) 22.531 20.699 ( -2.465 -13.215 -2.100) 13.606 21.160 ( -1.256 0.155 -1.309) 1.821 25.373 ( 8.200 21.345 7.594) 24.094 28.055 ( 3.213 -8.250 -2.314) 9.151 ======================= Grid point 1709 (299/396) ======================= q-point: ( 0.20 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.992 ( 17.650 27.724 26.582) 42.270 7.721 ( 13.663 14.436 45.041) 49.232 8.771 ( 14.302 8.513 -27.073) 31.780 9.586 ( 19.016 28.082 -20.131) 39.439 11.810 ( 30.497 20.129 6.623) 37.136 13.255 ( 47.162 30.314 -4.458) 56.241 14.513 ( 19.043 20.708 2.590) 28.252 16.983 ( 38.968 29.823 -10.484) 50.178 18.403 ( -7.040 -8.870 0.019) 11.324 19.286 ( -16.821 -17.705 -0.863) 24.437 19.539 ( -16.929 -2.312 0.057) 17.086 20.513 ( -4.478 -11.512 -1.516) 12.445 21.127 ( -2.651 -0.451 -0.708) 2.781 25.565 ( -4.418 11.756 11.680) 17.151 28.049 ( 5.376 -8.768 -2.996) 10.713 ======================= Grid point 1710 (300/396) ======================= q-point: ( 0.25 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.541 ( 16.067 24.832 17.055) 34.142 8.051 ( 10.235 11.512 30.493) 34.163 9.170 ( 20.912 12.315 -14.883) 28.469 10.200 ( 19.414 29.005 -11.518) 36.754 12.454 ( 26.192 15.827 -0.169) 30.603 14.399 ( 50.067 25.433 0.122) 56.156 15.081 ( 21.579 24.500 0.734) 32.656 17.682 ( 9.405 12.028 -18.922) 24.314 18.365 ( 9.378 -2.260 4.491) 10.641 18.908 ( -3.885 -10.364 -2.797) 11.416 19.242 ( -15.692 0.567 1.238) 15.751 20.350 ( -2.293 -8.020 0.706) 8.371 21.058 ( -5.251 0.054 -0.353) 5.263 25.476 ( -14.125 3.617 13.022) 19.549 28.045 ( 4.652 -10.347 -1.035) 11.391 ======================= Grid point 1711 (301/396) ======================= q-point: ( 0.30 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.014 ( 12.650 21.303 10.368) 26.858 8.309 ( 8.419 9.475 16.267) 20.623 9.704 ( 25.241 14.637 -2.887) 29.320 10.790 ( 16.587 27.853 -5.341) 32.855 13.037 ( 25.329 14.025 -0.569) 28.958 15.323 ( 36.456 9.961 -1.907) 37.840 15.730 ( 23.001 28.768 -1.122) 36.850 17.655 ( -9.616 -2.685 -12.369) 15.896 18.237 ( -10.915 -12.209 -10.367) 19.382 18.834 ( -12.110 -6.760 1.371) 13.937 19.430 ( 28.879 18.466 2.255) 34.352 20.341 ( 8.476 -0.383 2.825) 8.943 20.954 ( -7.724 1.987 -0.160) 7.977 25.180 ( -20.461 -2.915 12.330) 24.066 27.992 ( 2.062 -12.344 2.398) 12.742 ======================= Grid point 1712 (302/396) ======================= q-point: ( 0.35 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.382 ( 8.416 16.835 6.701) 19.979 8.534 ( 7.507 9.103 6.856) 13.647 10.276 ( 24.399 13.967 3.159) 28.291 11.291 ( 11.422 24.645 -1.220) 27.191 13.590 ( 24.406 12.288 0.287) 27.327 15.873 ( 24.024 -0.186 -4.943) 24.528 16.335 ( 15.193 25.607 -3.199) 29.946 17.394 ( -13.715 -8.423 -4.886) 16.820 17.927 ( -12.239 -10.745 -17.804) 24.130 18.533 ( -15.068 -4.353 3.296) 16.027 20.108 ( 29.877 14.160 2.924) 33.191 20.635 ( 16.342 3.104 0.187) 16.636 20.883 ( -1.384 10.567 1.096) 10.713 24.748 ( -23.562 -7.390 10.470) 26.822 27.877 ( -0.273 -13.775 5.985) 15.022 ======================= Grid point 1713 (303/396) ======================= q-point: ( 0.40 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.630 ( 4.764 11.269 4.611) 13.075 8.739 ( 5.230 9.842 0.578) 11.160 10.774 ( 19.141 10.673 4.587) 22.390 11.648 ( 4.304 20.178 1.468) 20.684 14.089 ( 20.961 8.837 1.448) 22.794 16.160 ( 14.074 -6.044 -7.901) 17.235 16.758 ( 7.198 22.314 -3.913) 23.770 17.062 ( -13.478 -9.861 -1.756) 16.792 17.601 ( -13.070 -10.754 -17.171) 24.111 18.264 ( -12.539 -1.471 4.461) 13.390 20.629 ( 0.288 2.022 -2.385) 3.140 20.768 ( 21.866 11.269 3.716) 24.878 21.273 ( 19.939 12.786 1.474) 23.732 24.277 ( -21.053 -7.991 7.086) 23.607 27.729 ( -0.526 -13.786 9.127) 16.542 ======================= Grid point 1714 (304/396) ======================= q-point: ( 0.45 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.773 ( 1.183 7.774 1.856) 8.079 8.892 ( 2.206 8.127 -3.137) 8.987 11.113 ( 10.788 5.533 2.456) 12.371 11.824 ( -4.316 15.392 3.204) 16.303 14.412 ( 9.238 -0.027 3.414) 9.848 16.267 ( 5.797 -4.726 -10.407) 12.816 16.785 ( -4.606 -11.160 2.105) 12.256 16.999 ( -4.973 19.135 -3.607) 20.097 17.315 ( -7.530 -8.921 -14.057) 18.272 18.112 ( -5.252 3.335 4.058) 7.428 20.578 ( -4.982 4.627 -2.095) 7.115 21.196 ( 13.129 1.477 2.856) 13.517 21.613 ( 7.585 4.664 3.371) 9.521 23.974 ( -5.834 -0.662 0.805) 5.926 27.610 ( 2.038 -12.131 11.664) 16.952 ======================= Grid point 1715 (305/396) ======================= q-point: (-0.50 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.819 ( -3.743 5.638 -0.666) 6.800 8.975 ( 0.412 4.619 -6.417) 7.917 11.234 ( 0.373 -0.812 -2.836) 2.973 11.800 ( -13.669 10.931 4.192) 17.997 14.338 ( -10.438 -12.157 6.771) 17.395 16.272 ( -0.465 -6.164 -9.614) 11.430 16.738 ( 6.967 -1.134 2.384) 7.450 16.927 ( -16.612 6.417 -0.683) 17.821 17.224 ( 2.120 -1.152 -8.367) 8.708 18.166 ( 3.930 8.551 1.558) 9.539 20.571 ( -1.944 5.483 -1.729) 6.069 21.174 ( -9.735 -9.604 4.012) 14.251 21.585 ( -9.492 -5.645 3.526) 11.593 24.129 ( 16.386 11.062 -5.817) 20.608 27.570 ( 5.867 -9.845 13.667) 17.836 ======================= Grid point 1716 (306/396) ======================= q-point: (-0.45 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.756 ( -8.697 3.285 -2.504) 9.628 8.998 ( -1.063 1.002 -9.513) 9.625 11.098 ( -11.428 -8.076 -10.017) 17.210 11.578 ( -22.761 7.245 4.312) 24.272 13.902 ( -21.388 -16.562 10.472) 29.007 16.092 ( -8.107 -15.732 -1.830) 17.792 16.599 ( -24.999 3.720 2.193) 25.369 16.977 ( 12.538 6.297 -2.395) 14.233 17.333 ( 9.999 2.961 -1.781) 10.579 18.373 ( 8.617 10.220 -0.381) 13.374 20.571 ( -3.790 -5.578 0.665) 6.777 20.814 ( -16.655 -4.210 0.766) 17.196 21.242 ( -19.132 -10.200 1.734) 21.750 24.637 ( 24.700 16.004 -9.227) 30.844 27.602 ( 7.879 -8.667 15.503) 19.430 ======================= Grid point 1717 (307/396) ======================= q-point: (-0.40 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.592 ( -12.705 0.700 -3.630) 13.232 8.952 ( -3.728 -2.749 -10.512) 11.487 10.695 ( -21.635 -15.117 -16.111) 30.922 11.178 ( -30.844 4.852 2.736) 31.343 13.355 ( -23.613 -15.148 11.990) 30.509 15.676 ( -19.651 -22.101 7.748) 30.572 16.139 ( -30.267 -0.856 4.417) 30.600 17.212 ( 6.094 7.892 -2.648) 10.316 17.636 ( 19.347 6.664 -0.282) 20.464 18.639 ( 10.894 9.495 -1.241) 14.504 20.147 ( -25.179 -18.414 0.663) 31.201 20.655 ( -5.916 -9.203 -1.718) 11.074 20.924 ( -8.797 6.766 -0.667) 11.118 25.215 ( 23.264 16.684 -11.582) 30.882 27.643 ( 6.598 -9.231 17.759) 21.075 ======================= Grid point 1718 (308/396) ======================= q-point: (-0.35 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.344 ( -15.681 -1.658 -3.722) 16.202 8.789 ( -10.740 -7.680 -5.018) 14.125 10.119 ( -24.032 -19.681 -20.008) 36.948 10.641 ( -36.850 4.474 -2.401) 37.199 12.807 ( -24.895 -13.147 10.423) 30.021 14.969 ( -35.702 -25.954 17.521) 47.490 15.585 ( -31.143 -3.560 3.559) 31.548 17.340 ( -0.042 6.207 -0.822) 6.261 18.079 ( 22.966 8.687 -1.086) 24.578 18.902 ( 10.307 3.185 -1.390) 10.878 19.482 ( -29.190 -13.217 -0.344) 32.045 20.505 ( 2.237 -9.507 -5.286) 11.106 20.962 ( -0.981 10.023 -0.357) 10.077 25.725 ( 17.323 15.508 -14.425) 27.362 27.631 ( 3.301 -10.445 20.919) 23.613 ======================= Grid point 1719 (309/396) ======================= q-point: (-0.30 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.033 ( -17.706 -3.758 -1.811) 18.191 8.388 ( -24.717 -13.584 9.397) 29.728 9.542 ( -20.725 -21.291 -18.030) 34.755 10.064 ( -34.720 6.077 -16.863) 39.073 12.233 ( -28.465 -12.201 9.443) 32.378 13.995 ( -47.284 -25.004 19.394) 56.895 15.033 ( -28.532 -5.075 2.397) 29.079 17.238 ( -18.993 -1.267 3.191) 19.301 18.512 ( 12.815 2.217 -4.689) 13.825 18.833 ( 2.998 -8.464 0.807) 9.015 19.322 ( 5.639 13.068 -2.131) 14.392 20.532 ( 9.646 -7.487 -7.133) 14.141 21.039 ( -0.416 7.495 0.384) 7.517 26.071 ( 6.396 10.925 -17.463) 21.569 27.568 ( 1.914 -9.123 24.134) 25.872 ======================= Grid point 1720 (310/396) ======================= q-point: (-0.25 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.642 ( -24.499 -12.564 8.125) 28.706 7.753 ( -28.857 -9.728 20.862) 36.913 8.932 ( -29.478 -16.213 -10.736) 35.313 9.643 ( -20.004 1.431 -33.429) 38.984 11.575 ( -35.991 -12.246 16.177) 41.316 12.971 ( -44.606 -17.995 7.534) 48.686 14.522 ( -25.257 -5.507 2.044) 25.931 16.640 ( -40.948 -10.271 5.006) 42.512 18.565 ( 7.698 -2.906 -6.886) 10.730 19.216 ( 26.270 8.270 1.750) 27.596 19.587 ( 9.528 12.210 -2.045) 15.622 20.651 ( 12.601 -8.177 -6.618) 16.415 21.092 ( -0.763 5.529 0.385) 5.594 26.090 ( -11.667 -0.132 -15.210) 19.170 27.577 ( 6.542 -1.385 21.441) 22.459 ======================= Grid point 1721 (311/396) ======================= q-point: (-0.20 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.915 ( -34.408 -19.774 33.001) 51.614 7.299 ( -23.631 -4.578 26.100) 35.505 8.287 ( -30.865 -6.237 -22.256) 38.560 9.325 ( -16.650 -7.020 -33.278) 37.868 10.741 ( -47.261 -11.899 34.628) 59.785 12.258 ( -23.078 -5.863 -17.639) 29.633 14.073 ( -21.191 -5.209 2.115) 21.924 15.774 ( -46.653 -10.033 1.987) 47.761 18.755 ( 14.616 0.820 -4.658) 15.362 19.703 ( 20.318 3.778 0.016) 20.666 19.906 ( 14.833 14.774 0.070) 20.936 20.776 ( 12.036 -10.272 -3.942) 16.307 21.130 ( -0.351 4.698 -1.034) 4.823 25.683 ( -28.982 -9.698 -7.616) 31.496 27.754 ( 10.577 5.524 12.522) 17.297 ======================= Grid point 1722 (312/396) ======================= q-point: (-0.15 0.05 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.160 ( -30.916 -18.622 46.356) 58.749 6.805 ( -30.046 -2.440 45.727) 54.769 7.827 ( -21.493 4.560 -40.037) 45.669 8.880 ( -24.735 -13.804 -36.837) 46.469 9.850 ( -43.070 -5.068 60.270) 74.250 12.063 ( 0.516 2.081 -39.078) 39.136 13.705 ( -16.423 -4.420 2.677) 17.217 14.910 ( -45.287 -4.946 -4.074) 45.738 19.064 ( 20.124 2.060 -1.306) 20.271 19.971 ( 11.055 0.840 -1.455) 11.182 20.358 ( 19.280 12.225 2.600) 22.977 20.848 ( 8.441 -9.926 -0.717) 13.049 21.175 ( 0.821 2.945 -2.683) 4.067 24.974 ( -40.694 -10.974 -2.196) 42.205 28.002 ( 10.672 6.340 5.220) 13.466 ======================= Grid point 1727 (313/396) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.572 ( 5.872 37.942 35.919) 52.577 7.258 ( 12.680 21.261 41.594) 48.403 8.290 ( 16.554 17.503 -28.164) 37.063 9.165 ( 4.671 25.318 -33.054) 41.897 10.677 ( 30.103 40.397 36.066) 61.959 12.241 ( 13.256 15.640 -23.980) 31.549 14.010 ( 10.222 20.320 3.146) 22.963 15.731 ( 29.718 40.255 -2.708) 50.109 18.741 ( -10.418 -14.009 -3.103) 17.732 19.737 ( -9.051 -15.351 -0.143) 17.821 20.094 ( -9.268 -15.222 2.233) 17.961 20.619 ( -6.772 -8.932 -4.036) 11.913 21.175 ( -0.205 -0.785 -1.419) 1.634 25.501 ( 7.909 30.802 1.028) 31.818 27.895 ( 2.215 -13.062 3.830) 13.791 ======================= Grid point 1728 (314/396) ======================= q-point: ( 0.15 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.079 ( 9.991 36.467 24.440) 45.022 7.667 ( 12.196 18.946 40.273) 46.148 8.663 ( 10.287 13.436 -25.711) 30.780 9.607 ( 14.620 31.417 -24.362) 42.359 11.530 ( 28.408 27.485 13.836) 41.879 12.867 ( 32.948 30.989 -6.070) 45.637 14.447 ( 15.248 24.171 2.525) 28.690 16.671 ( 35.075 36.762 -3.784) 50.951 18.445 ( -9.492 -11.216 -3.514) 15.108 19.351 ( -13.804 -21.809 0.475) 25.815 19.796 ( -14.070 -4.247 0.289) 14.700 20.435 ( -2.686 -12.783 -4.809) 13.920 21.159 ( -1.225 0.061 -0.098) 1.231 25.803 ( -3.071 21.158 6.602) 22.376 27.825 ( 5.764 -14.959 0.974) 16.060 ======================= Grid point 1729 (315/396) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.603 ( 10.893 33.144 14.515) 37.787 8.026 ( 9.054 16.360 33.647) 38.493 8.989 ( 14.483 13.915 -20.879) 28.971 10.225 ( 17.163 36.420 -13.412) 42.437 12.191 ( 24.112 19.012 2.053) 30.774 13.856 ( 43.731 29.530 1.984) 52.805 14.995 ( 19.057 27.922 1.119) 33.824 17.571 ( 27.507 29.444 -9.865) 41.483 18.224 ( -2.288 -9.222 0.713) 9.528 18.902 ( -11.779 -20.858 -2.104) 24.046 19.527 ( -15.514 1.077 0.217) 15.553 20.278 ( -1.127 -11.711 -3.497) 12.274 21.132 ( -2.653 1.200 1.023) 3.086 25.811 ( -14.929 12.351 10.750) 22.158 27.789 ( 8.252 -17.626 -0.234) 19.463 ======================= Grid point 1730 (316/396) ======================= q-point: ( 0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.085 ( 9.264 29.450 8.185) 31.939 8.296 ( 6.107 13.191 20.319) 24.983 9.451 ( 21.590 16.547 -8.672) 28.551 10.863 ( 14.210 37.672 -6.000) 40.708 12.761 ( 23.532 15.587 -0.588) 28.232 14.802 ( 38.650 15.897 0.268) 41.792 15.635 ( 21.981 30.294 -0.364) 37.430 17.824 ( -10.498 2.566 -11.419) 15.722 18.238 ( -1.854 -10.515 -4.326) 11.520 18.768 ( 13.542 -3.455 -1.352) 14.041 19.360 ( -4.050 10.940 1.734) 11.794 20.203 ( 4.336 -6.149 -0.804) 7.567 21.092 ( -4.719 3.567 1.704) 6.156 25.562 ( -23.221 4.405 11.835) 26.433 27.742 ( 7.805 -20.309 1.349) 21.799 ======================= Grid point 1731 (317/396) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.473 ( 4.345 21.884 10.679) 24.735 8.526 ( 7.077 15.197 4.597) 17.383 10.009 ( 23.781 16.474 -0.249) 28.931 11.425 ( 8.889 35.896 -1.365) 37.005 13.304 ( 23.513 13.378 -0.933) 27.069 15.451 ( 27.300 3.234 -3.784) 27.750 16.283 ( 19.734 25.783 -1.745) 32.515 17.574 ( -15.173 -5.244 -3.488) 16.428 18.000 ( -9.188 -10.660 -16.344) 21.568 18.737 ( -10.983 -3.057 1.087) 11.452 19.760 ( 25.792 14.805 2.140) 29.816 20.365 ( 16.911 2.817 0.457) 17.150 21.056 ( -5.467 8.280 2.100) 10.142 25.135 ( -27.496 -2.071 10.901) 29.650 27.649 ( 5.853 -22.386 4.310) 23.536 ======================= Grid point 1732 (318/396) ======================= q-point: ( 0.35 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.680 ( 3.469 11.610 8.607) 14.863 8.813 ( 3.153 20.451 -0.921) 20.713 10.545 ( 21.091 13.304 3.233) 25.145 11.857 ( 2.261 32.407 1.367) 32.514 13.813 ( 21.910 10.637 -1.038) 24.377 15.828 ( 18.703 -4.135 -6.773) 20.316 16.744 ( 11.008 9.276 -1.070) 14.435 17.280 ( -13.730 1.804 -4.584) 14.587 17.721 ( -12.862 -8.141 -16.766) 22.645 18.494 ( -14.340 0.345 2.874) 14.630 20.344 ( 27.857 9.930 1.937) 29.638 20.686 ( 10.612 2.485 0.418) 10.907 21.157 ( 7.044 15.849 2.024) 17.461 24.620 ( -27.303 -5.735 8.673) 29.216 27.511 ( 4.689 -23.157 7.374) 24.751 ======================= Grid point 1733 (319/396) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.831 ( 2.065 9.362 4.977) 10.802 9.013 ( -1.529 17.229 -2.469) 17.472 10.959 ( 14.714 7.971 3.211) 17.039 12.130 ( -5.573 28.608 2.672) 29.268 14.216 ( 14.947 4.192 -0.586) 15.535 16.047 ( 13.532 -5.336 -8.213) 16.705 16.721 ( -3.981 -16.058 1.563) 16.618 17.245 ( -2.436 3.789 -12.233) 13.036 17.465 ( -14.755 11.900 -8.724) 20.867 18.292 ( -10.973 4.254 3.581) 12.302 20.706 ( -0.880 5.170 -1.958) 5.598 20.907 ( 20.686 2.120 4.175) 21.210 21.510 ( 12.384 11.755 2.209) 17.217 24.161 ( -18.423 -3.550 4.528) 19.300 27.373 ( 5.885 -22.191 10.026) 25.052 ======================= Grid point 1734 (320/396) ======================= q-point: ( 0.45 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.928 ( -0.622 7.467 1.861) 7.720 9.099 ( -5.556 12.833 -3.756) 14.480 11.184 ( 5.810 1.608 -0.015) 6.028 12.223 ( -14.608 24.979 2.934) 29.085 14.330 ( -1.014 -7.476 2.012) 7.808 16.179 ( 5.286 -6.060 -10.226) 13.009 16.551 ( 5.566 -10.601 2.361) 12.204 17.126 ( -1.962 -10.201 -10.997) 15.128 17.424 ( -17.511 23.493 -2.153) 29.380 18.245 ( -2.296 10.119 1.791) 10.529 20.694 ( -4.862 5.225 -0.152) 7.139 21.125 ( 5.649 -7.697 2.334) 9.828 21.671 ( -3.281 1.836 4.078) 5.547 24.037 ( 4.019 7.046 -1.694) 8.287 27.293 ( 9.292 -19.979 12.157) 25.165 ======================= Grid point 1736 (321/396) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.948 ( -5.449 6.487 -0.798) 8.510 9.084 ( -7.231 6.834 -5.049) 11.157 11.175 ( -5.178 -5.153 -6.037) 9.477 12.121 ( -24.025 21.284 2.568) 32.199 14.057 ( -15.620 -15.123 6.575) 22.714 16.048 ( -5.028 -15.706 -5.967) 17.538 16.741 ( 15.023 -0.517 -2.915) 15.312 17.018 ( -5.534 1.589 -1.808) 6.035 17.328 ( -11.509 13.943 -0.818) 18.098 18.381 ( 3.650 12.888 -0.481) 13.404 20.620 ( -6.851 -4.271 2.267) 8.386 20.988 ( -9.179 -7.531 -0.160) 11.874 21.465 ( -16.403 -4.586 3.442) 17.376 24.397 ( 21.490 16.214 -6.026) 27.587 27.294 ( 12.491 -18.078 13.946) 26.026 ======================= Grid point 1737 (322/396) ======================= q-point: (-0.45 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.855 ( -13.007 6.297 -2.105) 14.604 9.005 ( -5.632 -0.251 -6.399) 8.528 10.900 ( -17.309 -11.840 -12.652) 24.492 11.830 ( -32.356 17.444 1.675) 36.797 13.586 ( -20.877 -14.557 9.901) 27.309 15.734 ( -11.783 -19.954 0.510) 23.179 16.617 ( -22.332 -1.938 1.091) 22.442 17.211 ( 8.839 16.590 -2.480) 18.961 17.392 ( 10.124 3.562 0.530) 10.745 18.592 ( 6.530 11.350 -1.331) 13.162 20.317 ( -15.837 -15.716 1.889) 22.391 20.734 ( -12.671 -10.471 -1.681) 16.523 21.170 ( -13.427 4.927 1.159) 14.350 24.984 ( 24.794 19.653 -8.354) 32.723 27.342 ( 12.986 -17.639 15.877) 27.052 ======================= Grid point 1738 (323/396) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.641 ( -17.652 3.873 -2.019) 18.184 8.874 ( -7.455 -5.088 -5.377) 10.506 10.378 ( -26.205 -16.715 -16.746) 35.307 11.376 ( -38.587 13.822 -0.759) 40.995 13.090 ( -22.542 -11.090 9.491) 26.855 15.234 ( -23.463 -21.928 9.280) 33.429 16.128 ( -32.322 -0.434 2.918) 32.456 17.419 ( 0.855 13.064 0.347) 13.096 17.755 ( 23.184 5.728 -2.083) 23.972 18.799 ( 6.603 5.020 -1.375) 8.408 19.817 ( -24.629 -13.324 -0.589) 28.008 20.419 ( -6.073 -13.059 -3.083) 14.728 21.108 ( -4.947 9.223 -0.046) 10.466 25.579 ( 20.925 20.461 -10.708) 31.164 27.370 ( 10.693 -18.046 18.536) 27.992 ======================= Grid point 1739 (324/396) ======================= q-point: (-0.35 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.342 ( -20.092 0.905 -0.613) 20.122 8.617 ( -15.687 -9.363 2.747) 18.474 9.744 ( -26.253 -17.875 -19.121) 37.072 10.808 ( -41.624 10.503 -6.530) 43.423 12.592 ( -25.390 -8.169 7.080) 27.596 14.504 ( -37.657 -19.799 15.789) 45.380 15.549 ( -34.205 -0.536 2.107) 34.274 17.506 ( -6.822 10.835 2.104) 12.975 18.225 ( 23.927 6.226 -2.973) 24.902 18.762 ( -7.754 -15.572 -0.942) 17.421 19.447 ( -7.639 7.725 -1.915) 11.032 20.307 ( 5.449 -10.551 -5.971) 13.292 21.129 ( -2.178 6.271 0.199) 6.641 26.058 ( 11.936 17.491 -13.638) 25.187 27.357 ( 8.408 -16.020 21.782) 28.316 ======================= Grid point 1740 (325/396) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.964 ( -23.813 -5.031 2.094) 24.428 8.142 ( -26.796 -9.662 19.382) 34.454 9.183 ( -20.930 -14.843 -19.538) 32.251 10.200 ( -38.416 6.368 -17.108) 42.533 12.054 ( -30.376 -5.463 7.694) 31.808 13.611 ( -46.693 -12.484 13.412) 50.160 14.977 ( -31.725 -1.275 1.583) 31.791 17.253 ( -33.646 3.329 4.421) 34.098 18.410 ( 2.837 -8.777 -7.688) 12.008 18.819 ( 26.552 3.361 1.641) 26.814 19.576 ( 5.868 11.879 -1.715) 13.360 20.357 ( 11.007 -9.611 -6.818) 16.125 21.148 ( -1.026 3.210 0.280) 3.381 26.252 ( -3.945 4.791 -12.159) 13.651 27.403 ( 10.647 -4.673 20.113) 23.232 ======================= Grid point 1741 (326/396) ======================= q-point: (-0.25 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.335 ( -35.164 -15.621 20.041) 43.384 7.671 ( -23.446 -1.443 26.819) 35.652 8.705 ( -23.256 -6.803 -18.870) 30.711 9.654 ( -29.017 -0.934 -28.355) 40.582 11.432 ( -39.660 -1.439 17.643) 43.431 12.763 ( -41.145 -2.671 -1.894) 41.275 14.455 ( -27.626 -1.797 2.066) 27.762 16.542 ( -47.848 0.754 1.955) 47.894 18.503 ( 13.038 -3.191 -5.817) 14.629 19.329 ( 27.029 3.306 1.249) 27.259 19.814 ( 10.180 8.302 -0.543) 13.147 20.471 ( 12.293 -8.067 -5.979) 15.873 21.160 ( -0.088 1.358 -0.326) 1.399 26.022 ( -19.570 -7.679 -4.069) 21.413 27.622 ( 12.111 6.797 10.935) 17.676 ======================= Grid point 1749 (327/396) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.789 ( 7.149 34.073 9.221) 36.016 8.049 ( 9.396 19.884 28.437) 35.948 8.981 ( 5.139 19.257 -21.887) 29.602 10.269 ( 20.748 35.626 -15.371) 43.999 12.036 ( 18.493 24.520 5.252) 31.158 13.551 ( 29.076 36.870 6.439) 47.395 14.969 ( 16.993 28.664 1.170) 33.343 17.377 ( 29.536 33.065 0.756) 44.342 18.262 ( -9.857 -6.049 -6.043) 13.049 18.879 ( -12.009 -25.307 -0.103) 28.012 19.708 ( -4.411 -4.846 -0.212) 6.556 20.220 ( -7.085 -8.734 -6.591) 13.036 21.169 ( -0.215 1.054 0.870) 1.383 26.160 ( -7.899 14.004 2.613) 16.289 27.484 ( 3.406 -19.060 6.648) 20.472 ======================= Grid point 1750 (328/396) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.236 ( 8.184 29.762 2.990) 31.011 8.353 ( 5.216 16.742 21.932) 28.081 9.332 ( 13.127 21.553 -14.771) 29.241 10.985 ( 18.266 40.108 -6.463) 44.543 12.565 ( 19.064 19.163 0.672) 27.039 14.382 ( 31.438 23.678 4.608) 39.626 15.579 ( 19.856 30.468 -0.113) 36.367 18.037 ( -5.007 -9.368 1.500) 10.728 18.093 ( 10.670 19.555 -8.233) 23.749 18.521 ( 2.108 -14.393 -3.011) 14.855 19.585 ( -8.652 5.160 0.321) 10.079 20.077 ( 0.874 -8.207 -4.645) 9.471 21.178 ( -1.265 3.466 2.031) 4.212 26.019 ( -21.123 8.141 8.308) 24.114 27.369 ( 8.062 -24.711 3.341) 26.206 ======================= Grid point 1751 (329/396) ======================= q-point: ( 0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.558 ( 3.768 13.550 9.795) 17.139 8.657 ( 6.223 27.742 4.494) 28.785 9.824 ( 18.601 21.335 -5.768) 28.887 11.642 ( 11.630 40.686 -1.059) 42.329 13.073 ( 20.347 16.509 -1.040) 26.223 15.035 ( 26.557 8.073 -1.240) 27.784 16.199 ( 19.003 25.237 -1.388) 31.622 17.762 ( -13.338 -9.796 1.195) 16.592 18.062 ( -7.547 -3.731 -14.341) 16.629 18.746 ( 9.327 0.605 -0.544) 9.363 19.627 ( 5.476 15.037 1.224) 16.050 20.128 ( 11.773 -1.268 -1.580) 11.946 21.200 ( -2.118 7.478 2.741) 8.242 25.629 ( -29.598 2.035 10.079) 31.333 27.260 ( 9.466 -28.470 3.593) 30.216 ======================= Grid point 1752 (330/396) ======================= q-point: ( 0.30 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.739 ( 3.029 11.942 7.593) 14.472 9.002 ( 2.901 25.678 1.025) 25.862 10.343 ( 19.243 17.113 -0.427) 25.755 12.166 ( 4.026 38.778 2.048) 39.040 13.576 ( 20.184 14.921 -2.659) 25.241 15.454 ( 20.564 -2.714 -6.115) 21.625 16.632 ( 10.236 6.580 -1.162) 12.224 17.459 ( -10.071 -8.391 -5.365) 14.164 17.916 ( -10.604 7.070 -11.731) 17.322 18.717 ( -9.230 1.109 1.084) 9.359 20.011 ( 21.140 10.952 2.074) 23.899 20.431 ( 19.341 3.165 -0.103) 19.598 21.274 ( -0.362 13.762 2.818) 14.052 25.089 ( -32.335 -2.767 9.210) 33.735 27.127 ( 9.004 -30.287 5.764) 32.118 ======================= Grid point 1753 (331/396) ======================= q-point: ( 0.35 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.893 ( 2.043 10.440 5.727) 12.082 9.249 ( -2.025 22.928 -0.474) 23.022 10.784 ( 15.964 10.561 2.024) 19.247 12.540 ( -3.624 36.534 3.147) 36.848 14.021 ( 15.780 10.952 -4.302) 19.684 15.721 ( 17.417 -6.612 -7.936) 20.250 16.628 ( -3.239 -14.275 0.804) 14.660 17.243 ( -5.138 -13.233 -13.682) 19.716 17.906 ( -10.479 27.930 -6.371) 30.504 18.549 ( -12.892 5.356 2.763) 14.231 20.491 ( 24.299 4.488 1.415) 24.750 20.711 ( 10.066 -0.540 1.759) 10.233 21.490 ( 6.683 18.120 2.259) 19.445 24.524 ( -28.250 -3.854 6.754) 29.301 26.983 ( 9.399 -30.161 8.219) 32.643 ======================= Grid point 1754 (332/396) ======================= q-point: ( 0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.006 ( 0.175 8.299 3.751) 9.109 9.377 ( -7.400 19.338 -1.116) 20.735 11.075 ( 9.718 3.485 1.512) 10.435 12.755 ( -12.394 34.519 2.523) 36.763 14.264 ( 3.960 1.099 -3.791) 5.591 15.947 ( 15.437 -5.194 -8.794) 18.510 16.389 ( -2.836 -16.681 0.547) 16.930 17.028 ( -1.860 -15.324 -12.589) 19.919 18.000 ( -16.749 31.151 -3.376) 35.529 18.434 ( -7.773 10.456 2.457) 13.259 20.772 ( -0.055 -1.475 2.114) 2.579 20.857 ( 16.890 -5.275 1.280) 17.740 21.751 ( 1.837 13.146 2.993) 13.607 24.148 ( -11.701 2.561 2.496) 12.235 26.872 ( 11.851 -28.381 10.366) 32.456 ======================= Grid point 1755 (333/396) ======================= q-point: (-0.55 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.057 ( -2.250 5.538 1.119) 6.081 9.378 ( -12.337 14.987 -0.830) 19.429 11.171 ( 0.958 -2.995 -2.320) 3.908 12.784 ( -22.547 31.385 0.925) 38.656 14.156 ( -10.782 -9.281 0.865) 14.253 15.959 ( -2.746 -15.988 -8.074) 18.120 16.433 ( 18.670 -1.837 -2.934) 18.988 16.922 ( 4.716 -10.377 -7.362) 13.569 17.903 ( -25.051 24.817 1.215) 35.283 18.501 ( -1.299 15.522 -0.618) 15.589 20.674 ( -5.596 -9.012 4.569) 11.551 20.956 ( 3.141 -8.569 -1.534) 9.255 21.727 ( -14.172 4.885 3.832) 15.473 24.250 ( 12.801 14.569 -2.030) 19.500 26.836 ( 15.356 -26.159 12.151) 32.677 ======================= Grid point 1756 (334/396) ======================= q-point: (-0.50 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.036 ( -4.813 2.434 -1.964) 5.740 9.257 ( -16.275 10.321 0.377) 19.276 11.036 ( -10.332 -8.849 -8.430) 16.004 12.598 ( -32.290 25.692 -0.381) 41.266 13.791 ( -18.309 -10.900 6.165) 22.181 15.696 ( -6.785 -19.316 -4.913) 21.055 16.692 ( 7.324 -3.964 -5.355) 9.901 17.031 ( 16.479 0.666 -2.611) 16.698 17.711 ( -22.957 22.814 3.101) 32.513 18.645 ( 1.121 13.033 -1.393) 13.155 20.407 ( -11.722 -13.831 3.607) 18.486 20.807 ( -8.290 -13.270 -1.893) 15.761 21.481 ( -17.089 5.601 2.474) 18.153 24.767 ( 24.064 21.545 -4.552) 32.619 26.870 ( 17.463 -24.841 13.889) 33.390 ======================= Grid point 1757 (335/396) ======================= q-point: (-0.45 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.940 ( -7.835 -0.447 -4.564) 9.078 9.034 ( -18.816 5.581 2.624) 19.801 10.646 ( -22.032 -13.491 -13.597) 29.194 12.202 ( -39.098 18.393 -0.673) 43.214 13.366 ( -20.851 -6.985 7.450) 23.217 15.345 ( -13.171 -18.485 0.957) 22.718 16.562 ( -16.853 -2.834 -0.914) 17.114 17.410 ( 22.015 2.972 -3.038) 22.422 17.639 ( -9.459 21.077 2.133) 23.200 18.777 ( 2.350 6.147 -1.293) 6.707 20.045 ( -16.204 -10.208 -0.073) 19.152 20.449 ( -13.277 -16.395 -1.397) 21.143 21.315 ( -10.195 7.107 1.025) 12.470 25.413 ( 24.043 23.741 -6.582) 34.425 26.924 ( 16.902 -24.195 16.169) 33.653 ======================= Grid point 1758 (336/396) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.725 ( -21.540 3.981 0.173) 21.906 8.762 ( -11.298 -6.005 1.669) 12.903 10.060 ( -28.798 -14.921 -15.694) 36.031 11.646 ( -43.159 11.565 -2.242) 44.737 12.942 ( -23.104 -3.647 5.160) 23.952 14.872 ( -24.405 -13.138 7.887) 28.817 16.124 ( -31.283 0.221 0.408) 31.286 17.681 ( 2.046 11.007 4.881) 12.213 17.892 ( 19.266 9.915 -6.267) 22.555 18.767 ( -6.043 -8.132 -1.412) 10.229 19.700 ( -15.649 1.566 -1.669) 15.815 20.160 ( -2.133 -12.970 -3.873) 13.703 21.243 ( -5.474 4.107 0.933) 6.907 25.996 ( 17.241 20.007 -9.148) 27.950 26.974 ( 15.485 -20.056 19.133) 31.751 ======================= Grid point 1759 (337/396) ======================= q-point: (-0.35 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.347 ( -24.847 -1.813 1.544) 24.961 8.445 ( -18.492 -7.143 13.152) 23.790 9.445 ( -26.145 -11.553 -17.963) 33.760 10.979 ( -44.423 5.296 -7.136) 45.304 12.502 ( -26.208 -0.732 3.321) 26.428 14.259 ( -37.522 -3.636 10.838) 39.225 15.553 ( -35.332 0.770 0.530) 35.344 17.764 ( -11.556 15.068 4.486) 19.512 18.299 ( 9.053 -2.751 -8.611) 12.794 18.463 ( 2.723 -8.739 0.037) 9.153 19.622 ( -0.790 6.670 -0.956) 6.784 20.108 ( 7.291 -8.289 -6.323) 12.722 21.199 ( -2.726 0.973 1.137) 3.110 26.290 ( 3.423 0.161 -5.914) 6.835 27.133 ( 17.059 -0.830 15.925) 23.352 ======================= Grid point 1770 (338/396) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.647 ( 2.041 14.312 5.735) 15.552 8.762 ( 11.386 22.380 4.372) 25.488 9.834 ( 8.668 28.649 -12.025) 32.257 11.762 ( 21.365 38.131 -1.487) 43.734 12.945 ( 15.464 19.629 0.869) 25.004 14.783 ( 15.619 17.315 3.425) 23.569 16.143 ( 16.884 25.595 -0.997) 30.679 17.799 ( -6.265 -15.080 3.063) 16.615 18.104 ( 1.837 -8.520 -8.132) 11.921 18.615 ( 6.320 13.922 -1.742) 15.388 19.748 ( 3.262 11.687 0.258) 12.137 19.982 ( -0.423 -0.502 -4.419) 4.468 21.269 ( 1.870 5.767 2.116) 6.421 26.099 ( -19.147 -1.427 2.818) 19.405 26.851 ( 0.775 -26.309 9.163) 27.870 ======================= Grid point 1771 (339/396) ======================= q-point: ( 0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.812 ( 2.367 12.062 4.827) 13.206 9.159 ( 8.448 23.154 3.558) 24.903 10.267 ( 11.648 22.836 -6.644) 26.482 12.422 ( 11.913 37.819 2.158) 39.709 13.424 ( 18.088 19.615 -1.942) 26.753 15.131 ( 14.649 2.282 -4.208) 15.411 16.547 ( 8.262 8.754 -1.614) 12.145 17.486 ( -8.911 -16.919 -5.199) 19.817 18.136 ( -0.520 11.214 -4.807) 12.212 18.780 ( 2.670 2.841 -0.004) 3.899 19.921 ( 3.278 14.587 0.839) 14.975 20.150 ( 16.282 3.112 -1.227) 16.622 21.385 ( 2.369 11.346 2.718) 11.905 25.632 ( -32.135 -1.982 7.574) 33.075 26.645 ( 8.780 -33.317 5.935) 34.962 ======================= Grid point 1772 (340/396) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.963 ( 2.123 10.599 4.946) 11.887 9.486 ( 2.647 23.433 2.287) 23.693 10.654 ( 12.192 13.711 -1.826) 18.438 12.915 ( 3.515 36.701 3.694) 37.054 13.914 ( 14.949 20.080 -5.625) 25.658 15.357 ( 15.739 -6.900 -8.327) 19.096 16.565 ( -3.689 -10.085 -0.266) 10.742 17.183 ( -6.615 -18.805 -11.558) 23.043 18.310 ( -2.833 28.496 -3.670) 28.871 18.785 ( -6.200 5.953 1.681) 8.758 20.188 ( 14.714 6.806 2.043) 16.340 20.463 ( 16.393 -0.383 0.449) 16.404 21.586 ( 4.629 17.786 2.708) 18.576 25.027 ( -34.116 -3.463 7.458) 35.093 26.481 ( 11.183 -34.907 6.799) 37.280 ======================= Grid point 1773 (341/396) ======================= q-point: ( 0.35 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.084 ( 0.694 8.656 4.821) 9.932 9.695 ( -4.718 22.151 1.167) 22.678 10.937 ( 10.359 4.524 1.133) 11.360 13.269 ( -4.694 37.117 3.134) 37.543 14.257 ( 3.989 13.269 -8.916) 16.476 15.576 ( 19.624 -7.957 -8.267) 22.733 16.318 ( -7.618 -16.209 -0.864) 17.931 16.896 ( -3.455 -20.466 -12.278) 24.116 18.544 ( -7.437 33.823 -3.947) 34.856 18.711 ( -11.920 11.586 3.326) 16.953 20.487 ( 17.222 -5.750 3.435) 18.479 20.660 ( 9.945 -4.319 0.499) 10.854 21.868 ( 4.456 20.153 2.556) 20.797 24.477 ( -25.265 -0.658 5.270) 25.817 26.348 ( 13.272 -33.860 8.554) 37.361 ======================= Grid point 1774 (342/396) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.149 ( -1.690 6.011 3.763) 7.291 9.755 ( -11.771 18.716 1.229) 22.144 11.087 ( 5.672 -2.365 0.462) 6.163 13.463 ( -16.160 37.005 0.680) 40.385 14.270 ( -9.354 -0.363 -6.491) 11.391 15.797 ( 8.061 -11.973 -9.548) 17.306 16.126 ( 8.877 -7.990 -2.076) 12.122 16.710 ( 4.211 -16.692 -9.365) 19.597 18.565 ( -22.136 23.498 2.517) 32.381 18.737 ( -5.906 22.241 -1.784) 23.080 20.571 ( 4.998 -15.222 5.910) 17.077 20.765 ( 8.341 -7.293 -1.879) 11.238 22.022 ( -8.750 13.731 3.074) 16.570 24.272 ( -1.637 10.325 1.935) 10.632 26.277 ( 16.396 -31.690 10.225) 37.117 ======================= Grid point 1776 (343/396) ======================= q-point: (-0.55 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.140 ( -4.446 2.857 1.835) 5.594 9.667 ( -17.147 13.893 2.472) 22.207 11.070 ( -2.717 -7.017 -3.793) 8.426 13.405 ( -30.102 29.344 -3.018) 42.146 14.008 ( -16.096 -3.928 1.487) 16.635 15.600 ( -4.727 -19.667 -8.562) 21.964 16.425 ( 19.526 -0.131 -7.065) 20.765 16.738 ( 14.254 -7.482 -4.155) 16.626 18.382 ( -26.132 23.477 3.420) 35.295 18.821 ( -6.000 15.519 -1.407) 16.698 20.422 ( -4.710 -13.432 4.529) 14.937 20.738 ( 0.218 -14.343 -1.686) 14.443 21.857 ( -19.406 7.133 2.947) 20.885 24.606 ( 19.201 21.485 -0.736) 28.824 26.282 ( 19.394 -29.747 11.853) 37.437 ======================= Grid point 1777 (344/396) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.053 ( -7.120 -0.505 0.005) 7.138 9.455 ( -20.639 8.994 3.947) 22.857 10.842 ( -14.257 -10.238 -9.123) 19.781 13.028 ( -37.581 14.370 -2.101) 40.290 13.690 ( -21.023 2.619 4.377) 21.633 15.332 ( -5.774 -16.183 -6.141) 18.247 16.611 ( 5.162 -3.737 -3.936) 7.491 17.056 ( 22.668 2.001 -4.956) 23.290 18.162 ( -24.483 21.573 3.104) 32.778 18.844 ( -3.533 5.820 -0.625) 6.837 20.187 ( -10.298 -6.364 1.309) 12.177 20.493 ( -9.859 -17.061 -0.850) 19.723 21.599 ( -16.378 4.869 2.089) 17.214 25.233 ( 25.009 24.907 -2.712) 35.400 26.343 ( 20.727 -27.669 13.965) 37.285 ======================= Grid point 1778 (345/396) ======================= q-point: (-0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.889 ( -9.850 -3.644 0.533) 10.516 9.151 ( -22.804 4.396 4.348) 23.627 10.397 ( -24.908 -10.907 -11.886) 29.676 12.457 ( -40.734 5.777 0.162) 41.142 13.331 ( -24.081 2.905 2.385) 24.372 15.078 ( -11.575 -6.639 -1.019) 13.383 16.526 ( -13.692 -0.552 -1.694) 13.808 17.456 ( 21.151 2.006 -3.625) 21.552 18.030 ( -11.183 15.915 0.294) 19.453 18.801 ( -4.261 -2.617 -0.811) 5.066 19.976 ( -13.058 3.475 -1.429) 13.588 20.134 ( -10.841 -14.749 -1.036) 18.334 21.405 ( -10.539 1.777 1.851) 10.847 25.851 ( 20.762 14.716 -4.576) 25.857 26.466 ( 21.669 -16.223 16.298) 31.597 ======================= Grid point 1792 (346/396) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.023 ( 2.479 9.228 2.824) 9.964 9.569 ( 12.449 18.723 4.871) 23.006 10.673 ( 3.413 17.356 -6.976) 19.014 13.107 ( 13.782 32.067 1.491) 34.935 13.839 ( 20.763 21.515 -1.732) 29.950 15.154 ( 1.437 1.122 -8.072) 8.276 16.560 ( -4.711 -5.578 -1.886) 7.541 17.110 ( -8.357 -21.283 -8.273) 24.315 18.460 ( 16.838 19.347 0.400) 25.651 18.863 ( 1.111 5.776 0.821) 5.939 20.179 ( 2.335 9.547 -0.386) 9.836 20.239 ( 5.674 7.107 0.816) 9.131 21.644 ( 8.009 14.893 2.494) 17.093 25.515 ( -21.464 -12.624 2.320) 25.009 26.016 ( -3.457 -27.072 10.648) 29.296 ======================= Grid point 1793 (347/396) ======================= q-point: ( 0.30 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.145 ( 1.775 7.712 4.583) 9.145 9.917 ( 5.056 20.333 3.942) 21.320 10.850 ( 4.343 5.760 -1.653) 7.401 13.588 ( 6.868 31.816 1.014) 32.565 14.372 ( 10.251 26.080 -6.911) 28.861 15.193 ( 10.425 -9.644 -10.104) 17.429 16.326 ( -10.102 -12.894 -2.346) 16.547 16.757 ( -6.463 -23.959 -10.078) 26.784 18.891 ( 1.262 26.920 -0.721) 26.959 18.960 ( 2.770 13.503 2.171) 13.955 20.263 ( 2.200 0.265 2.357) 3.235 20.409 ( 11.974 -4.803 0.329) 12.906 21.963 ( 8.441 20.222 2.609) 22.067 24.954 ( -30.901 -4.072 5.670) 31.680 25.793 ( 10.498 -33.852 7.833) 36.297 ======================= Grid point 1794 (348/396) ======================= q-point: ( 0.35 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.224 ( -0.305 5.519 5.185) 7.578 10.111 ( -6.226 20.031 2.825) 21.166 10.948 ( 6.235 -3.603 1.509) 7.357 13.970 ( -0.256 33.465 0.305) 33.467 14.534 ( -15.369 13.999 -12.524) 24.270 15.414 ( 23.610 -8.227 -7.626) 26.140 16.026 ( -7.692 -12.443 -3.598) 15.065 16.466 ( 1.043 -22.783 -9.553) 24.727 18.982 ( -8.503 16.809 3.681) 19.193 19.201 ( -9.193 31.095 -1.964) 32.484 20.273 ( 8.219 -14.902 4.774) 17.675 20.529 ( 9.975 -9.791 -0.725) 13.996 22.258 ( 0.538 18.556 2.497) 18.731 24.512 ( -17.366 4.719 4.806) 18.627 25.683 ( 15.045 -32.941 8.468) 37.191 ======================= Grid point 1795 (349/396) ======================= q-point: (-0.60 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.236 ( -3.240 2.837 4.574) 6.282 10.092 ( -15.703 14.832 3.466) 21.877 10.989 ( 4.100 -6.962 0.136) 8.081 14.167 ( -25.098 28.298 -5.784) 38.264 14.263 ( -12.998 5.211 -3.308) 14.390 15.470 ( -2.486 -20.258 -10.324) 22.873 16.084 ( 19.890 2.236 -6.186) 20.949 16.397 ( 13.098 -14.204 -6.193) 20.289 18.952 ( -15.261 17.849 4.195) 23.855 19.208 ( -19.169 20.695 -1.316) 28.240 20.272 ( 7.521 -12.684 4.356) 15.376 20.542 ( 5.452 -14.569 -1.106) 15.595 22.253 ( -16.680 8.928 2.682) 19.108 24.556 ( 8.907 18.138 2.743) 20.393 25.656 ( 18.395 -30.496 9.816) 36.943 ======================= Grid point 1796 (350/396) ======================= q-point: (-0.55 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.168 ( -6.372 0.031 3.338) 7.194 9.891 ( -20.343 7.710 4.781) 22.275 10.921 ( -4.848 -7.054 -3.975) 9.437 13.698 ( -32.395 -0.625 -3.877) 32.632 14.184 ( -24.279 20.011 0.640) 31.469 15.232 ( -0.734 -15.370 -11.195) 19.029 16.392 ( 14.666 -3.426 -5.606) 16.071 16.672 ( 24.461 1.271 -5.916) 25.198 18.795 ( -24.550 17.107 2.936) 30.066 19.020 ( -13.360 2.374 0.306) 13.572 20.262 ( -1.666 -0.358 1.813) 2.488 20.428 ( -1.356 -15.227 -0.251) 15.289 21.963 ( -21.361 2.946 2.609) 21.721 25.053 ( 22.580 20.420 0.534) 30.448 25.717 ( 21.188 -24.065 11.936) 34.213 ======================= Grid point 1813 (351/396) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2004 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.260 ( 1.777 3.894 5.304) 6.816 10.274 ( 10.317 15.571 4.373) 19.184 10.875 ( -3.849 -2.793 0.443) 4.776 14.170 ( 9.228 27.330 -5.376) 29.343 14.828 ( 32.393 7.745 -2.763) 33.420 15.042 ( -17.846 5.071 -13.359) 22.862 16.100 ( -11.218 -9.512 -5.940) 15.862 16.267 ( -7.928 -24.679 -7.043) 26.861 19.184 ( 7.106 11.817 3.634) 14.260 19.422 ( 14.491 22.426 0.780) 26.712 20.168 ( -7.763 -9.795 2.791) 12.806 20.315 ( -1.603 -3.966 -0.844) 4.360 22.346 ( 10.050 17.127 2.392) 20.001 24.839 ( -9.416 -9.076 4.127) 13.713 25.244 ( -7.077 -18.361 9.110) 21.685 ======================= Grid point 1814 (352/396) ======================= q-point: ( 0.35 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.296 ( -0.920 1.798 5.838) 6.177 10.467 ( -9.577 15.354 3.554) 18.441 10.804 ( 6.746 -10.053 2.497) 12.362 14.526 ( -2.186 19.307 -6.895) 20.617 14.736 ( -16.606 5.843 -10.534) 20.515 15.277 ( 7.602 -5.303 -6.422) 11.276 15.882 ( 2.146 -0.463 -6.038) 6.425 16.046 ( 7.736 -17.633 -7.299) 20.593 19.320 ( -8.459 14.894 4.292) 17.658 19.731 ( -13.559 19.717 0.416) 23.933 19.973 ( 8.893 -11.412 4.167) 15.056 20.272 ( 8.342 -15.097 -1.776) 17.339 22.539 ( -4.882 8.328 2.067) 9.872 24.683 ( -6.198 12.722 5.642) 15.234 25.102 ( 13.203 -24.508 7.858) 28.926 ======================= Grid point 2105 (353/396) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.332 ( 0.000 0.000 -0.000) 0.000 6.332 ( 0.000 0.000 -0.000) 0.000 6.708 ( -0.000 -0.000 0.000) 0.000 6.708 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 -0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 -0.000 0.000) 0.000 20.262 ( 0.000 0.000 0.000) 0.000 20.262 ( 0.000 0.000 0.000) 0.000 20.990 ( 0.000 -0.000 0.000) 0.000 20.990 ( 0.000 0.000 0.000) 0.000 21.076 ( 0.000 0.000 0.000) 0.000 23.208 ( -0.000 0.000 0.000) 0.000 28.364 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 2107 (354/396) ======================= q-point: ( 0.05 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.396 ( 5.578 3.221 46.775) 47.216 6.527 ( 14.475 8.357 -51.454) 54.101 6.863 ( 13.403 7.738 -42.620) 45.343 6.949 ( 21.905 12.647 47.967) 54.227 10.779 ( -0.610 -0.352 1.472) 1.632 11.014 ( -2.761 -1.594 -1.861) 3.692 13.345 ( 5.524 3.189 1.144) 6.480 13.573 ( 24.283 14.020 -1.195) 28.066 19.908 ( -24.183 -13.962 -0.491) 27.929 20.211 ( -4.329 -2.499 0.822) 5.066 20.884 ( -9.747 -5.628 0.482) 11.266 21.013 ( 1.789 1.033 -1.834) 2.763 21.136 ( 1.693 0.977 1.339) 2.369 23.590 ( 30.286 17.485 0.205) 34.971 28.312 ( -4.340 -2.505 -0.354) 5.023 ======================= Grid point 2109 (355/396) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.581 ( 10.583 6.110 51.807) 53.229 6.910 ( 19.104 11.029 -49.749) 54.420 7.295 ( 24.139 13.936 -44.969) 52.907 7.619 ( 32.821 18.949 48.175) 61.296 10.833 ( 6.369 3.677 4.197) 8.468 11.028 ( 6.955 4.015 -7.236) 10.810 13.531 ( 10.854 6.267 1.832) 12.667 14.300 ( 38.146 22.024 -2.732) 44.132 19.362 ( -22.368 -12.914 0.094) 25.828 20.075 ( -7.519 -4.341 1.171) 8.761 20.567 ( -17.706 -10.223 0.270) 20.447 21.059 ( 2.045 1.181 -2.905) 3.744 21.094 ( -4.878 -2.816 2.956) 6.361 24.391 ( 36.762 21.225 2.090) 42.501 28.185 ( -6.318 -3.648 -2.506) 7.714 ======================= Grid point 2111 (356/396) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.866 ( 14.322 8.269 40.480) 43.728 7.392 ( 23.227 13.410 -38.934) 47.278 7.928 ( 31.047 17.925 -32.787) 48.582 8.243 ( 19.711 11.380 46.579) 51.843 11.087 ( 15.835 9.142 -5.407) 19.067 11.461 ( 32.754 18.910 -3.860) 38.017 13.834 ( 15.728 9.081 1.780) 18.248 15.241 ( 43.709 25.236 -5.181) 50.736 18.918 ( -16.725 -9.656 1.600) 19.378 19.876 ( -9.878 -5.703 1.263) 11.476 20.106 ( -22.379 -12.921 -0.387) 25.844 20.942 ( -8.095 -4.673 4.241) 10.264 21.095 ( 0.895 0.517 -3.210) 3.372 25.145 ( 28.116 16.233 6.732) 33.157 28.051 ( -5.005 -2.890 -6.902) 9.002 ======================= Grid point 2113 (357/396) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.218 ( 16.417 9.478 28.563) 34.281 7.944 ( 24.640 14.226 -32.686) 43.334 8.536 ( 8.921 5.151 50.325) 51.368 8.674 ( 34.104 19.690 -21.338) 44.789 11.530 ( 22.677 13.092 -7.977) 27.373 12.459 ( 52.304 30.198 -6.793) 60.777 14.238 ( 19.783 11.422 0.975) 22.865 16.234 ( 42.616 24.605 -8.443) 49.928 18.604 ( -10.711 -6.184 3.732) 12.919 19.577 ( -23.760 -13.718 -1.625) 27.484 19.630 ( -11.780 -6.801 1.395) 13.674 20.747 ( -8.701 -5.024 5.394) 11.403 21.093 ( -1.110 -0.641 -2.956) 3.222 25.617 ( 12.972 7.489 12.529) 19.528 27.978 ( -1.162 -0.671 -11.678) 11.755 ======================= Grid point 2115 (358/396) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.597 ( 16.755 9.673 19.422) 27.414 8.394 ( 11.739 6.778 -10.220) 16.976 8.835 ( 21.657 12.504 34.389) 42.521 9.449 ( 33.805 19.517 -13.381) 41.264 12.086 ( 25.795 14.893 -7.046) 30.608 13.703 ( 55.023 31.768 -10.712) 64.432 14.721 ( 22.595 13.045 -0.340) 26.093 17.075 ( 27.987 16.159 -11.816) 34.410 18.479 ( 0.955 0.551 5.541) 5.650 19.068 ( -18.988 -10.962 -2.856) 22.110 19.346 ( -13.207 -7.625 1.723) 15.347 20.565 ( -6.843 -3.951 6.454) 10.202 21.042 ( -3.442 -1.987 -2.350) 4.617 25.733 ( -2.147 -1.239 15.701) 15.896 27.991 ( 1.706 0.985 -13.185) 13.332 ======================= Grid point 2117 (359/396) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.965 ( 15.442 8.915 12.927) 22.024 8.553 ( 4.945 2.855 12.654) 13.883 9.452 ( 29.852 17.235 14.352) 37.339 10.186 ( 30.719 17.735 -8.384) 36.448 12.679 ( 26.250 15.155 -6.423) 30.984 14.864 ( 45.719 26.396 -12.124) 54.165 15.250 ( 23.743 13.708 -1.780) 27.474 17.390 ( 1.929 1.114 -10.737) 10.966 18.361 ( -17.267 -9.969 -2.106) 20.049 19.037 ( -13.913 -8.033 2.267) 16.225 19.107 ( 25.896 14.951 0.971) 29.918 20.468 ( -0.738 -0.426 6.732) 6.785 20.939 ( -5.527 -3.191 -1.603) 6.580 25.553 ( -12.986 -7.497 15.454) 21.533 28.026 ( 0.801 0.462 -10.994) 11.033 ======================= Grid point 2119 (360/396) ======================= q-point: ( 0.35 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.287 ( 12.746 7.359 8.330) 16.911 8.660 ( 4.572 2.640 13.911) 14.880 10.121 ( 28.235 16.301 12.095) 34.774 10.825 ( 25.339 14.629 -5.327) 29.740 13.268 ( 25.631 14.798 -6.258) 30.250 15.707 ( 27.678 15.980 -9.337) 33.296 15.782 ( 22.836 13.185 -2.942) 26.533 17.324 ( -5.777 -3.336 -9.103) 11.286 17.927 ( -18.849 -10.883 -5.256) 22.391 18.722 ( -13.610 -7.858 2.884) 15.978 19.824 ( 32.404 18.708 0.981) 37.430 20.588 ( 12.493 7.213 4.113) 15.001 20.798 ( -6.715 -3.877 -0.910) 7.807 25.175 ( -19.846 -11.458 13.854) 26.778 28.012 ( -2.087 -1.205 -7.646) 8.016 ======================= Grid point 2121 (361/396) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.535 ( 9.027 5.212 4.959) 11.543 8.757 ( 3.898 2.251 10.280) 11.222 10.696 ( 21.715 12.537 10.572) 27.212 11.320 ( 18.094 10.447 -3.297) 21.152 13.835 ( 24.083 13.904 -5.515) 28.350 16.123 ( 10.103 5.833 -4.181) 12.392 16.266 ( 19.385 11.192 -3.424) 22.644 17.152 ( -9.201 -5.312 -6.488) 12.449 17.543 ( -14.775 -8.530 -6.635) 18.306 18.430 ( -11.966 -6.908 3.203) 14.183 20.503 ( 27.838 16.072 0.565) 32.149 20.647 ( -6.331 -3.655 -0.403) 7.321 21.015 ( 22.583 13.038 -0.157) 26.077 24.680 ( -23.035 -13.299 11.688) 29.053 27.938 ( -4.071 -2.350 -4.597) 6.575 ======================= Grid point 2123 (362/396) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1050 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.691 ( 4.664 2.693 2.311) 5.860 8.829 ( 2.264 1.307 5.315) 5.923 11.079 ( 11.661 6.733 6.368) 14.895 11.635 ( 9.443 5.452 -1.630) 11.025 14.326 ( 17.808 10.282 -3.330) 20.831 16.224 ( 0.011 0.006 -1.097) 1.097 16.634 ( 12.243 7.069 -2.642) 14.382 16.952 ( -6.828 -3.942 -3.053) 8.455 17.264 ( -9.494 -5.482 -4.514) 11.856 18.197 ( -7.997 -4.617 2.492) 9.564 20.526 ( -3.946 -2.279 -0.123) 4.559 21.073 ( 20.631 11.911 -1.144) 23.850 21.483 ( 16.649 9.612 -1.354) 19.272 24.183 ( -18.986 -10.961 7.851) 23.286 27.848 ( -3.319 -1.916 -2.117) 4.378 ======================= Grid point 2125 (363/396) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 531 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.744 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 11.743 ( 0.000 0.000 0.000) 0.000 14.550 ( 0.000 0.000 0.000) 0.000 16.202 ( 0.000 0.000 0.000) 0.000 16.781 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 17.146 ( 0.000 0.000 0.000) 0.000 18.099 ( 0.000 0.000 0.000) 0.000 20.480 ( 0.000 0.000 0.000) 0.000 21.327 ( 0.000 0.000 0.000) 0.000 21.691 ( 0.000 0.000 -0.000) 0.000 23.939 ( 0.000 0.000 0.000) 0.000 27.808 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 2149 (364/396) ======================= q-point: ( 0.05 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.601 ( 8.764 15.180 -0.000) 17.528 6.670 ( 5.686 9.849 0.000) 11.373 7.264 ( 14.300 24.769 -0.000) 28.600 7.359 ( 18.430 31.922 0.000) 36.860 10.801 ( 2.221 3.847 0.000) 4.443 10.999 ( 1.394 2.414 -0.000) 2.787 13.472 ( 5.583 9.671 0.000) 11.167 14.075 ( 20.376 35.291 0.000) 40.751 19.497 ( -13.905 -24.083 0.000) 27.809 20.117 ( -3.923 -6.795 0.000) 7.846 20.752 ( -7.022 -12.162 0.000) 14.044 20.914 ( -3.041 -5.267 0.000) 6.081 21.171 ( 0.184 0.319 0.000) 0.368 24.171 ( 21.693 37.573 0.000) 43.386 28.222 ( -3.645 -6.313 0.000) 7.289 ======================= Grid point 2151 (365/396) ======================= q-point: ( 0.10 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.834 ( 4.412 17.540 41.462) 45.235 7.080 ( 24.549 11.052 -39.695) 47.964 7.798 ( 16.257 32.304 -34.175) 49.757 8.015 ( 23.023 19.531 38.572) 48.982 10.967 ( 9.526 10.405 -0.962) 14.139 11.230 ( 17.011 18.707 -2.732) 25.432 13.722 ( 10.585 13.116 1.034) 16.886 14.891 ( 32.213 36.827 -2.287) 48.980 19.048 ( -13.949 -17.533 0.530) 22.411 19.951 ( -6.989 -8.277 0.560) 10.847 20.383 ( -20.997 -10.109 0.131) 23.304 20.837 ( 2.992 -14.419 0.526) 14.736 21.154 ( -2.300 1.436 -0.243) 2.723 24.924 ( 24.360 30.700 2.611) 39.278 28.083 ( -4.576 -6.591 -2.801) 8.499 ======================= Grid point 2153 (366/396) ======================= q-point: ( 0.15 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.127 ( 9.715 17.140 29.360) 35.357 7.649 ( 26.397 15.226 -29.609) 42.489 8.351 ( 13.724 12.097 -2.115) 18.416 8.534 ( 20.035 28.609 18.570) 39.557 11.325 ( 17.311 15.046 -5.869) 23.675 11.984 ( 39.392 33.926 -3.898) 52.133 14.084 ( 14.814 16.436 1.049) 22.152 15.844 ( 36.881 35.283 -5.326) 51.318 18.689 ( -10.500 -13.044 2.091) 16.876 19.700 ( -11.684 -13.392 0.144) 17.773 19.907 ( -22.365 -6.995 0.085) 23.434 20.710 ( -0.280 -15.502 2.445) 15.696 21.135 ( -1.940 1.661 -1.056) 2.764 25.524 ( 14.708 21.105 7.943) 26.923 27.959 ( -1.727 -6.639 -7.706) 10.317 ======================= Grid point 2155 (367/396) ======================= q-point: ( 0.20 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.485 ( 12.094 17.188 20.668) 29.476 8.231 ( 20.586 15.284 -26.764) 37.063 8.590 ( 14.087 3.210 37.731) 40.403 9.254 ( 23.645 36.148 -7.453) 43.833 11.826 ( 22.482 16.713 -6.327) 28.719 13.120 ( 50.450 35.740 -7.955) 62.336 14.541 ( 17.971 19.525 0.205) 26.537 16.778 ( 32.489 30.017 -9.122) 45.164 18.453 ( -3.210 -8.675 4.414) 10.249 19.255 ( -19.089 -18.292 -2.025) 26.516 19.553 ( -16.173 -2.104 1.326) 16.363 20.544 ( -1.623 -13.687 3.972) 14.344 21.108 ( -3.312 1.594 -1.046) 3.821 25.807 ( -0.309 11.164 13.229) 17.313 27.908 ( 3.499 -6.942 -11.812) 14.140 ======================= Grid point 2157 (368/396) ======================= q-point: ( 0.25 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.860 ( 11.972 16.813 14.044) 24.964 8.507 ( 4.954 5.041 5.309) 8.840 9.093 ( 30.214 14.857 15.769) 37.179 10.002 ( 22.480 35.005 -6.790) 42.152 12.393 ( 24.801 16.088 -5.938) 30.152 14.297 ( 48.923 27.171 -10.540) 56.946 15.073 ( 19.913 23.007 -1.399) 30.460 17.377 ( 8.288 13.934 -11.304) 19.764 18.437 ( 0.831 -6.336 3.260) 7.174 18.860 ( 0.331 -8.971 -1.937) 9.184 19.278 ( -14.380 1.388 2.172) 14.609 20.411 ( 0.688 -10.143 4.980) 11.321 21.049 ( -6.006 2.333 -0.519) 6.464 25.750 ( -13.186 2.324 14.975) 20.087 27.923 ( 6.147 -8.153 -11.853) 15.645 ======================= Grid point 2159 (369/396) ======================= q-point: ( 0.30 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.209 ( 9.967 15.756 9.086) 20.740 8.621 ( 3.950 4.295 12.989) 14.239 9.776 ( 30.618 16.337 11.327) 36.506 10.684 ( 18.635 31.812 -4.842) 37.185 12.972 ( 25.444 14.380 -5.984) 29.833 15.228 ( 36.670 11.334 -8.416) 39.293 15.670 ( 20.746 27.312 -4.468) 34.588 17.423 ( -6.910 2.309 -9.123) 11.675 18.104 ( -17.021 -15.453 -3.662) 23.279 18.868 ( -9.412 -7.096 1.911) 11.941 19.466 ( 27.875 18.498 1.343) 33.481 20.412 ( 8.849 -3.664 4.180) 10.450 20.955 ( -8.447 4.462 0.240) 9.556 25.440 ( -21.011 -4.557 14.032) 25.673 27.930 ( 4.805 -10.261 -9.096) 14.530 ======================= Grid point 2161 (370/396) ======================= q-point: ( 0.35 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.499 ( 6.629 14.045 5.447) 16.458 8.730 ( 3.451 4.634 11.547) 12.912 10.416 ( 26.111 13.989 11.085) 31.628 11.244 ( 12.823 27.203 -3.266) 30.251 13.536 ( 25.383 12.205 -6.005) 28.797 15.786 ( 23.786 0.159 -4.189) 24.152 16.246 ( 14.664 25.549 -5.517) 29.971 17.267 ( -10.733 -3.040 -6.762) 13.045 17.687 ( -14.526 -13.034 -6.396) 20.538 18.597 ( -13.711 -4.594 2.885) 14.745 20.146 ( 29.769 13.405 0.894) 32.660 20.637 ( 12.856 1.243 0.284) 12.919 20.906 ( -0.680 11.927 1.099) 11.997 24.974 ( -24.953 -9.287 12.258) 29.311 27.880 ( 2.445 -12.101 -5.937) 13.698 ======================= Grid point 2163 (371/396) ======================= q-point: ( 0.40 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.704 ( 2.437 11.827 2.782) 12.392 8.822 ( 1.964 4.408 7.574) 8.980 10.907 ( 17.523 9.102 8.652) 21.559 11.643 ( 5.451 21.777 -1.950) 22.533 14.059 ( 23.192 8.517 -4.851) 25.178 16.070 ( 13.168 -4.977 -1.017) 14.114 16.668 ( 6.990 23.456 -4.533) 24.892 17.012 ( -10.688 -9.271 -3.600) 14.599 17.366 ( -10.761 -8.892 -6.161) 15.259 18.339 ( -12.170 -2.099 2.924) 12.692 20.590 ( 1.613 1.375 -1.441) 2.563 20.814 ( 19.040 12.077 1.002) 22.569 21.273 ( 19.519 12.654 -1.142) 23.290 24.445 ( -24.258 -10.636 9.623) 28.182 27.790 ( 1.806 -12.540 -3.243) 13.078 ======================= Grid point 2165 (372/396) ======================= q-point: ( 0.45 0.05 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.810 ( -2.201 9.281 0.812) 9.573 8.876 ( -0.331 3.449 2.642) 4.358 11.171 ( 6.374 2.684 3.296) 7.661 11.850 ( -3.141 16.133 -0.659) 16.450 14.431 ( 12.908 0.143 -1.942) 13.054 16.164 ( 3.876 -3.796 0.320) 5.435 16.786 ( -2.973 -7.077 -1.736) 7.870 16.944 ( 0.435 16.246 -2.162) 16.395 17.154 ( -5.257 -5.398 -1.859) 7.761 18.167 ( -6.815 1.679 1.420) 7.161 20.555 ( -4.891 5.115 -0.197) 7.080 21.219 ( 13.263 2.140 -0.506) 13.444 21.634 ( 9.529 5.710 -1.073) 11.160 24.026 ( -12.683 -4.621 4.220) 14.143 27.718 ( 4.010 -11.212 -1.020) 11.952 ======================= Grid point 2191 (373/396) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.166 ( 9.243 16.009 -0.000) 18.486 7.452 ( 15.148 26.237 0.000) 30.295 8.313 ( 6.591 11.417 0.000) 13.183 8.495 ( 21.357 36.992 -0.000) 42.715 11.249 ( 10.554 18.280 -0.000) 21.107 11.813 ( 23.310 40.374 0.000) 46.620 14.042 ( 11.158 19.326 0.000) 22.316 15.699 ( 25.654 44.434 0.000) 51.308 18.713 ( -9.293 -16.095 0.000) 18.585 19.734 ( -8.449 -14.633 0.000) 16.897 20.117 ( -9.561 -16.561 0.000) 19.123 20.580 ( -6.233 -10.796 0.000) 12.466 21.161 ( -0.068 -0.117 0.000) 0.135 25.508 ( 15.514 26.872 0.000) 31.029 27.936 ( -4.620 -8.003 0.000) 9.241 ======================= Grid point 2193 (374/396) ======================= q-point: ( 0.15 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.500 ( 9.323 20.200 11.845) 25.205 8.030 ( 22.371 23.552 -14.460) 35.556 8.468 ( 4.953 3.656 13.019) 14.401 9.258 ( 22.499 40.949 -0.959) 46.733 11.671 ( 16.359 19.905 -2.643) 25.900 12.753 ( 36.553 43.007 -3.011) 56.523 14.474 ( 15.022 23.085 0.202) 27.543 16.593 ( 29.055 40.151 -3.468) 49.682 18.430 ( -6.656 -12.865 1.617) 14.575 19.349 ( -15.185 -21.734 -0.626) 26.520 19.803 ( -14.075 -4.580 0.476) 14.810 20.401 ( -0.598 -14.856 1.075) 14.907 21.158 ( -0.860 0.960 -0.003) 1.288 25.920 ( 5.669 17.884 5.629) 19.587 27.788 ( -1.380 -10.660 -5.223) 11.951 ======================= Grid point 2195 (375/396) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.871 ( 9.782 21.566 10.840) 26.044 8.492 ( 4.714 9.142 -8.751) 13.505 8.755 ( 26.192 16.085 17.708) 35.472 10.040 ( 20.335 43.001 -2.503) 47.632 12.176 ( 20.199 18.721 -3.735) 27.792 13.811 ( 41.223 33.448 -6.471) 53.478 15.000 ( 17.860 26.837 -0.609) 32.242 17.378 ( 17.094 30.102 -8.439) 35.631 18.286 ( 4.622 -7.792 4.900) 10.300 18.859 ( -14.482 -21.588 -2.258) 26.094 19.544 ( -14.395 1.122 1.406) 14.507 20.268 ( 1.764 -13.540 2.158) 13.824 21.147 ( -2.440 2.370 0.423) 3.428 26.021 ( -9.868 9.817 11.036) 17.764 27.698 ( 5.320 -14.420 -9.555) 18.098 ======================= Grid point 2197 (376/396) ======================= q-point: ( 0.25 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.241 ( 8.513 21.388 7.562) 24.230 8.613 ( 3.065 6.316 7.634) 10.371 9.429 ( 29.786 19.040 8.854) 36.443 10.771 ( 15.783 42.285 -2.361) 45.196 12.710 ( 22.229 16.101 -4.504) 27.815 14.735 ( 36.400 17.354 -7.368) 40.993 15.602 ( 19.957 29.439 -2.721) 35.670 17.611 ( -7.993 10.111 -8.642) 15.518 18.199 ( -12.582 -17.013 -0.219) 21.161 18.754 ( 16.250 -2.153 -0.124) 16.392 19.403 ( -2.772 10.718 2.392) 11.326 20.223 ( 6.672 -8.071 2.661) 10.804 21.120 ( -4.789 4.850 1.023) 6.892 25.799 ( -21.965 2.121 12.489) 25.356 27.667 ( 8.836 -17.837 -9.520) 22.065 ======================= Grid point 2199 (377/396) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.568 ( 5.772 19.927 4.228) 21.172 8.733 ( 2.915 7.609 9.737) 12.697 10.102 ( 27.866 16.718 9.913) 33.974 11.390 ( 9.677 39.232 -1.720) 40.444 13.240 ( 23.170 13.071 -5.487) 27.162 15.369 ( 26.772 3.414 -4.894) 27.429 16.214 ( 18.274 26.053 -4.833) 32.188 17.484 ( -14.027 4.030 -5.240) 15.507 17.780 ( -13.542 -16.513 -5.475) 22.046 18.766 ( -8.737 -3.213 1.745) 9.472 19.796 ( 25.447 14.684 1.462) 29.416 20.379 ( 16.331 0.884 1.180) 16.397 21.092 ( -5.726 9.211 1.461) 10.944 25.356 ( -27.834 -4.353 11.452) 30.411 27.626 ( 8.165 -20.504 -7.006) 23.155 ======================= Grid point 2201 (378/396) ======================= q-point: ( 0.35 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.814 ( 2.723 13.953 1.916) 14.345 8.858 ( 0.791 12.259 7.993) 14.656 10.673 ( 21.774 11.980 9.509) 26.609 11.860 ( 2.565 34.765 -0.982) 34.873 13.746 ( 22.877 9.366 -5.881) 25.410 15.746 ( 19.024 -3.989 -1.675) 19.510 16.683 ( 12.071 13.564 -4.451) 18.695 17.214 ( -16.757 -1.684 -1.994) 16.959 17.470 ( -10.829 -4.416 -8.180) 14.272 18.550 ( -13.117 0.030 2.682) 13.388 20.350 ( 24.764 7.978 -1.074) 26.040 20.704 ( 13.391 4.568 1.338) 14.212 21.179 ( 4.969 15.430 0.288) 16.213 24.802 ( -28.825 -8.246 9.596) 31.479 27.544 ( 7.038 -21.825 -4.302) 23.332 ======================= Grid point 2203 (379/396) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.926 ( 0.172 6.471 3.063) 7.161 8.993 ( -3.626 16.968 1.982) 17.464 11.052 ( 12.176 5.509 5.901) 14.609 12.153 ( -5.444 29.733 -0.370) 30.230 14.169 ( 18.134 3.020 -4.219) 18.861 15.971 ( 13.214 -5.072 0.622) 14.168 16.732 ( -3.976 -15.065 -0.396) 15.586 17.053 ( -1.937 -1.101 -5.858) 6.268 17.353 ( -10.410 20.393 -3.300) 23.133 18.352 ( -11.474 3.460 2.398) 12.222 20.665 ( 2.616 5.352 -2.225) 6.359 20.968 ( 16.336 2.742 1.967) 16.681 21.516 ( 12.916 12.433 -1.424) 17.985 24.271 ( -22.543 -6.708 6.349) 24.362 27.455 ( 7.976 -21.303 -2.001) 22.835 ======================= Grid point 2205 (380/396) ======================= q-point: ( 0.45 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.960 ( -2.847 4.931 0.000) 5.694 9.047 ( -8.367 14.493 0.000) 16.735 11.184 ( 0.816 -1.413 0.000) 1.631 12.254 ( -14.175 24.551 0.000) 28.349 14.353 ( 4.069 -7.048 0.000) 8.138 16.075 ( 3.708 -6.422 0.000) 7.416 16.577 ( 6.494 -11.249 0.000) 12.989 17.013 ( 3.872 -6.706 0.000) 7.743 17.402 ( -14.927 25.854 -0.000) 29.854 18.263 ( -4.613 7.991 0.000) 9.227 20.693 ( -4.245 7.352 0.000) 8.489 21.148 ( 5.194 -8.995 0.000) 10.387 21.712 ( -1.554 2.691 0.000) 3.107 24.019 ( -2.505 4.339 0.000) 5.010 27.415 ( 11.188 -19.378 0.000) 22.376 ======================= Grid point 2235 (381/396) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.905 ( 12.018 20.816 0.000) 24.036 8.538 ( 2.543 4.405 0.000) 5.087 8.558 ( 16.963 29.381 -0.000) 33.927 10.089 ( 24.719 42.815 0.000) 49.439 12.093 ( 13.162 22.796 -0.000) 26.323 13.614 ( 24.963 43.237 0.000) 49.925 14.981 ( 16.337 28.296 0.000) 32.673 17.382 ( 22.354 38.718 0.000) 44.708 18.201 ( -5.600 -9.699 0.000) 11.199 18.879 ( -14.461 -25.047 0.000) 28.922 19.706 ( -3.211 -5.562 0.000) 6.423 20.155 ( -5.601 -9.702 0.000) 11.203 21.178 ( 0.679 1.175 0.000) 1.357 26.179 ( 4.198 7.272 0.000) 8.397 27.557 ( -6.960 -12.055 0.000) 13.919 ======================= Grid point 2237 (382/396) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.305 ( 9.970 21.694 3.421) 24.119 8.639 ( 2.721 7.924 1.252) 8.471 9.177 ( 23.513 24.980 4.081) 34.548 10.906 ( 20.308 44.330 -0.484) 48.763 12.555 ( 16.274 19.803 -1.695) 25.688 14.398 ( 26.099 25.789 -3.081) 36.820 15.570 ( 18.354 30.203 -0.844) 35.352 17.884 ( -7.533 17.392 -7.896) 20.532 18.156 ( 5.956 -7.321 5.990) 11.179 18.479 ( 2.941 -11.434 -1.428) 11.892 19.600 ( -7.298 4.900 1.081) 8.857 20.039 ( 3.476 -9.209 0.747) 9.871 21.204 ( -0.324 3.546 0.565) 3.606 26.161 ( -13.268 3.618 6.721) 15.307 27.352 ( 2.264 -20.206 -5.768) 21.135 ======================= Grid point 2239 (383/396) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.646 ( 6.969 16.365 3.634) 18.154 8.798 ( 3.119 15.470 3.494) 16.163 9.825 ( 25.388 20.915 6.616) 33.552 11.625 ( 12.814 43.808 -0.171) 45.644 13.029 ( 18.314 16.639 -3.418) 24.979 14.985 ( 23.251 8.311 -3.870) 24.993 16.160 ( 17.320 25.481 -2.446) 30.907 17.794 ( -15.302 3.467 0.168) 15.691 17.831 ( -11.105 -13.441 -6.779) 18.706 18.747 ( 10.191 0.973 0.564) 10.252 19.661 ( 6.331 14.598 2.050) 16.043 20.118 ( 13.301 -2.347 0.639) 13.522 21.240 ( -1.599 7.471 1.158) 7.728 25.815 ( -27.547 -0.811 9.171) 29.045 27.232 ( 9.465 -26.061 -6.988) 28.593 ======================= Grid point 2241 (384/396) ======================= q-point: ( 0.30 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.854 ( 3.997 9.340 4.486) 11.106 9.039 ( 1.300 22.840 1.758) 22.945 10.421 ( 22.875 15.403 8.268) 28.790 12.191 ( 4.355 41.478 0.664) 41.712 13.496 ( 18.917 13.440 -5.444) 23.836 15.370 ( 19.963 -2.972 -2.346) 20.319 16.591 ( 10.805 9.491 -2.702) 14.633 17.386 ( -13.851 -16.731 -1.268) 21.758 17.733 ( -11.459 16.895 -7.001) 21.582 18.746 ( -7.472 1.229 1.688) 7.758 20.039 ( 20.006 10.278 0.728) 22.503 20.433 ( 20.454 3.526 0.386) 20.759 21.314 ( -0.815 13.381 1.111) 13.451 25.262 ( -32.581 -5.243 8.364) 34.044 27.138 ( 10.810 -28.788 -5.100) 31.171 ======================= Grid point 2243 (385/396) ======================= q-point: ( 0.35 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.987 ( 1.444 8.260 3.474) 9.076 9.250 ( -3.096 22.307 0.534) 22.527 10.876 ( 16.136 8.365 6.963) 19.463 12.584 ( -4.391 38.364 1.304) 38.637 13.917 ( 17.033 8.425 -6.133) 19.968 15.641 ( 18.140 -6.474 -0.158) 19.261 16.645 ( -2.287 -12.562 0.825) 12.795 17.049 ( -7.069 -14.028 -5.216) 16.551 17.792 ( -9.567 30.909 -5.097) 32.755 18.604 ( -12.011 5.530 2.620) 13.479 20.473 ( 20.732 4.348 -2.652) 21.348 20.760 ( 13.659 0.097 2.753) 13.934 21.509 ( 5.496 18.182 -0.303) 18.997 24.656 ( -30.135 -6.403 6.419) 31.469 27.039 ( 11.408 -29.229 -2.882) 31.508 ======================= Grid point 2245 (386/396) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.060 ( -1.769 6.953 1.281) 7.288 9.363 ( -8.235 20.145 0.079) 21.763 11.117 ( 6.619 1.044 2.708) 7.228 12.789 ( -13.718 34.375 0.708) 37.018 14.196 ( 9.219 0.257 -2.946) 9.682 15.866 ( 14.122 -5.943 0.613) 15.334 16.403 ( -3.235 -17.333 0.841) 17.652 16.872 ( 1.492 -12.238 -2.728) 12.627 17.940 ( -12.921 33.481 -2.556) 35.979 18.476 ( -10.321 9.180 1.796) 13.929 20.753 ( 6.700 2.268 -3.076) 7.714 20.910 ( 9.775 -8.403 3.051) 13.246 21.774 ( 2.889 13.936 -0.720) 14.250 24.201 ( -16.232 0.104 2.726) 16.460 26.968 ( 13.748 -27.846 -0.918) 31.069 ======================= Grid point 2277 (387/396) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.663 ( 7.698 13.334 0.000) 15.397 8.864 ( 9.262 16.042 0.000) 18.523 9.699 ( 15.930 27.592 0.000) 31.861 11.743 ( 23.109 40.026 0.000) 46.218 12.954 ( 12.146 21.037 0.000) 24.291 14.814 ( 9.673 16.755 0.000) 19.347 16.136 ( 15.024 26.023 0.000) 30.049 17.840 ( -12.163 -21.066 0.000) 24.325 18.012 ( 0.645 1.118 -0.000) 1.291 18.597 ( 7.865 13.623 0.000) 15.730 19.751 ( 5.966 10.334 0.000) 11.933 19.938 ( 0.254 0.440 0.000) 0.508 21.290 ( 3.058 5.296 0.000) 6.115 26.120 ( -5.431 -9.406 0.000) 10.861 26.950 ( -10.897 -18.874 0.000) 21.794 ======================= Grid point 2279 (388/396) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.871 ( 5.007 9.595 1.790) 10.970 9.207 ( 6.764 22.496 -0.090) 23.491 10.233 ( 18.364 20.204 3.682) 27.550 12.450 ( 13.845 39.055 0.843) 41.445 13.381 ( 14.126 19.861 -2.442) 24.494 15.074 ( 11.389 1.345 -1.232) 11.534 16.525 ( 7.946 10.159 -0.865) 12.926 17.421 ( -12.491 -20.400 -0.739) 23.931 18.064 ( -3.791 17.168 -2.760) 17.797 18.787 ( 4.001 3.133 0.596) 5.116 19.946 ( 4.037 13.834 1.493) 14.488 20.131 ( 17.861 3.472 -0.547) 18.203 21.419 ( 3.014 10.821 0.535) 11.246 25.755 ( -27.530 -5.872 5.304) 28.644 26.669 ( 5.966 -30.218 -4.236) 31.091 ======================= Grid point 2281 (389/396) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.033 ( 3.201 8.976 2.177) 9.775 9.504 ( 1.048 23.703 -0.749) 23.738 10.689 ( 16.203 11.438 5.384) 20.551 12.981 ( 4.464 37.801 2.853) 38.171 13.797 ( 11.574 18.171 -6.000) 22.364 15.268 ( 15.906 -7.082 -0.386) 17.416 16.575 ( -2.171 -8.927 0.808) 9.222 17.029 ( -10.069 -19.212 -3.121) 21.914 18.233 ( -4.874 30.987 -3.947) 31.616 18.820 ( -4.653 6.457 1.686) 8.135 20.206 ( 13.847 6.566 -0.261) 15.327 20.476 ( 18.072 0.028 0.860) 18.093 21.617 ( 4.309 17.387 0.354) 17.916 25.152 ( -34.082 -5.842 5.286) 34.981 26.518 ( 12.241 -33.651 -3.446) 35.973 ======================= Grid point 2283 (390/396) ======================= q-point: ( 0.35 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.147 ( 0.272 7.786 1.400) 7.916 9.698 ( -5.381 22.916 -0.726) 23.550 10.988 ( 10.341 2.753 3.839) 11.368 13.340 ( -6.555 37.884 3.652) 38.620 14.095 ( 6.449 10.134 -6.884) 13.845 15.502 ( 19.870 -7.442 0.830) 21.234 16.335 ( -8.263 -17.452 2.523) 19.473 16.731 ( -2.676 -18.016 -3.959) 18.639 18.460 ( -7.721 34.689 -4.314) 35.798 18.776 ( -11.184 12.390 2.970) 16.953 20.495 ( 16.604 -3.096 -2.357) 17.054 20.693 ( 10.678 -6.610 2.550) 12.814 21.890 ( 4.221 20.331 -0.321) 20.767 24.564 ( -27.345 -2.574 3.400) 27.675 26.419 ( 14.931 -33.268 -1.687) 36.504 ======================= Grid point 2285 (391/396) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.188 ( -3.386 5.864 0.000) 6.771 9.765 ( -11.729 20.316 0.000) 23.458 11.090 ( 2.238 -3.877 0.000) 4.476 13.475 ( -19.954 34.561 0.000) 39.908 14.201 ( -0.533 0.923 0.000) 1.066 15.702 ( 7.153 -12.389 0.000) 14.305 16.105 ( 6.368 -11.029 0.000) 12.736 16.614 ( 7.953 -13.776 -0.000) 15.907 18.598 ( -18.624 32.258 -0.000) 37.248 18.711 ( -8.544 14.799 0.000) 17.088 20.649 ( 9.081 -15.729 0.000) 18.162 20.727 ( 3.902 -6.759 -0.000) 7.804 22.052 ( -7.981 13.823 0.000) 15.962 24.292 ( -5.460 9.458 0.000) 10.921 26.381 ( 18.154 -31.444 0.000) 36.308 ======================= Grid point 2321 (392/396) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.050 ( 4.947 8.568 0.000) 9.893 9.624 ( 11.189 19.381 0.000) 22.379 10.596 ( 9.367 16.224 0.000) 18.734 13.124 ( 16.982 29.414 0.000) 33.964 13.822 ( 14.105 24.430 0.000) 28.209 15.068 ( -0.533 -0.923 0.000) 1.066 16.549 ( -3.800 -6.582 0.000) 7.600 17.020 ( -11.808 -20.452 -0.000) 23.616 18.464 ( 12.764 22.108 0.000) 25.528 18.871 ( 3.153 5.462 0.000) 6.307 20.176 ( 4.876 8.445 -0.000) 9.752 20.246 ( 4.848 8.396 0.000) 9.695 21.669 ( 8.499 14.721 0.000) 16.998 25.535 ( -10.755 -18.629 0.000) 21.511 26.127 ( -12.607 -21.835 0.000) 25.213 ======================= Grid point 2323 (393/396) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.197 ( 2.755 7.436 0.583) 7.951 9.950 ( 3.174 21.297 -0.812) 21.547 10.853 ( 8.326 4.841 2.134) 9.864 13.631 ( 10.489 28.125 2.958) 30.162 14.246 ( 1.333 27.711 -5.332) 28.251 15.102 ( 13.407 -9.739 1.267) 16.619 16.325 ( -8.728 -14.961 1.702) 17.404 16.629 ( -8.944 -21.665 -2.229) 23.544 18.853 ( 0.168 29.768 -2.728) 29.893 19.004 ( 2.493 12.781 1.809) 13.147 20.284 ( 3.402 0.935 -0.219) 3.535 20.418 ( 12.131 -5.710 0.618) 13.422 21.989 ( 8.304 20.109 -0.015) 21.756 25.034 ( -29.344 -6.346 2.481) 30.124 25.856 ( 9.694 -32.364 -1.839) 33.835 ======================= Grid point 2325 (394/396) ======================= q-point: ( 0.35 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 2000 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.281 ( -0.638 5.547 0.296) 5.592 10.133 ( -6.488 21.037 -0.561) 22.022 10.975 ( 5.853 -4.212 1.251) 7.318 14.033 ( 1.118 31.144 5.756) 31.691 14.327 ( -13.902 13.781 -7.742) 21.051 15.352 ( 21.337 -7.759 1.403) 22.748 16.006 ( -8.607 -14.800 1.528) 17.189 16.350 ( 2.474 -20.347 -1.779) 20.574 19.014 ( -7.434 19.432 -1.164) 20.838 19.180 ( -10.231 29.989 0.618) 31.692 20.322 ( 8.949 -14.060 -0.203) 16.668 20.522 ( 9.416 -10.836 0.463) 14.363 22.282 ( 0.665 18.514 -0.128) 18.526 24.572 ( -19.120 3.948 1.141) 19.556 25.762 ( 16.299 -32.666 -0.693) 36.513 ======================= Grid point 2363 (395/396) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.314 ( 2.438 4.223 0.000) 4.877 10.320 ( 9.076 15.720 0.000) 18.152 10.877 ( -1.173 -2.032 0.000) 2.346 14.118 ( 12.934 22.403 0.000) 25.869 14.819 ( 13.736 23.792 0.000) 27.473 14.886 ( -4.686 -8.117 0.000) 9.372 16.042 ( -7.535 -13.052 0.000) 15.071 16.192 ( -12.320 -21.338 -0.000) 24.640 19.224 ( 7.121 12.334 -0.000) 14.242 19.426 ( 13.630 23.607 0.000) 27.260 20.195 ( -5.956 -10.316 0.000) 11.911 20.307 ( -2.465 -4.269 -0.000) 4.929 22.370 ( 9.803 16.980 0.000) 19.607 24.881 ( -5.711 -9.892 0.000) 11.423 25.336 ( -10.183 -17.637 0.000) 20.366 ======================= Grid point 2365 (396/396) ======================= q-point: ( 0.35 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.84e-05 1.84e-05 7.40e-04 Number of triplets: 1010 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.356 ( -1.158 2.006 0.000) 2.316 10.504 ( -9.033 15.645 0.000) 18.065 10.829 ( 5.676 -9.832 0.000) 11.352 14.461 ( -6.479 11.223 0.000) 12.959 14.626 ( -7.283 12.615 0.000) 14.567 15.213 ( 2.917 -5.052 0.000) 5.833 15.821 ( 1.197 -2.073 0.000) 2.393 15.972 ( 9.340 -16.178 -0.000) 18.680 19.367 ( -8.690 15.051 0.000) 17.379 19.729 ( -12.945 22.421 0.000) 25.890 20.016 ( 7.537 -13.054 0.000) 15.074 20.253 ( 9.213 -15.958 0.000) 18.426 22.560 ( -4.702 8.145 0.000) 9.405 24.740 ( -7.590 13.146 0.000) 15.180 25.181 ( 14.313 -24.791 0.000) 28.626 =================== 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 3/60000 10.0 1022.883 1022.883 570.410 -0.000 0.000 0.000 3/60000 20.0 6626.718 6626.718 4157.822 -0.000 0.000 0.000 3/60000 30.0 5439.394 5439.394 4095.408 -0.000 0.000 0.000 3/60000 40.0 3385.880 3385.880 2825.874 -0.000 0.000 -0.000 3/60000 50.0 2021.885 2021.885 1732.832 -0.000 0.000 -0.000 3/60000 60.0 1211.005 1211.005 1052.787 -0.000 0.000 -0.000 3/60000 70.0 769.383 769.383 675.309 -0.000 -0.000 -0.000 3/60000 80.0 525.052 525.052 460.929 -0.000 -0.000 -0.000 3/60000 90.0 381.115 381.115 331.772 -0.000 -0.000 -0.000 3/60000 100.0 290.686 290.686 249.359 -0.000 -0.000 -0.000 3/60000 110.0 230.688 230.688 194.168 -0.000 -0.000 -0.000 3/60000 120.0 189.061 189.061 155.706 -0.000 -0.000 -0.000 3/60000 130.0 159.090 159.090 127.999 -0.000 -0.000 -0.000 3/60000 140.0 136.824 136.824 107.467 -0.000 -0.000 -0.000 3/60000 150.0 119.828 119.828 91.876 -0.000 -0.000 -0.000 3/60000 160.0 106.542 106.542 79.779 -0.000 -0.000 -0.000 3/60000 170.0 95.935 95.935 70.212 -0.000 -0.000 -0.000 3/60000 180.0 87.309 87.309 62.518 -0.000 -0.000 -0.000 3/60000 190.0 80.176 80.176 56.235 -0.000 0.000 -0.000 3/60000 200.0 74.190 74.190 51.035 -0.000 0.000 -0.000 3/60000 210.0 69.100 69.100 46.676 -0.000 0.000 -0.000 3/60000 220.0 64.720 64.720 42.983 -0.000 0.000 -0.000 3/60000 230.0 60.911 60.911 39.821 -0.000 0.000 -0.000 3/60000 240.0 57.569 57.569 37.091 -0.000 0.000 -0.000 3/60000 250.0 54.610 54.610 34.712 -0.000 0.000 -0.000 3/60000 260.0 51.971 51.971 32.623 -0.000 0.000 -0.000 3/60000 270.0 49.601 49.601 30.778 -0.000 0.000 -0.000 3/60000 280.0 47.460 47.460 29.135 -0.000 0.000 -0.000 3/60000 290.0 45.515 45.515 27.666 -0.000 0.000 -0.000 3/60000 300.0 43.738 43.738 26.343 -0.000 0.000 -0.000 3/60000 310.0 42.109 42.109 25.147 -0.000 0.000 -0.000 3/60000 320.0 40.608 40.608 24.061 -0.000 0.000 -0.000 3/60000 330.0 39.220 39.220 23.069 -0.000 0.000 -0.000 3/60000 340.0 37.932 37.932 22.161 -0.000 0.000 -0.000 3/60000 350.0 36.733 36.733 21.326 -0.000 0.000 -0.000 3/60000 360.0 35.613 35.613 20.555 -0.000 0.000 -0.000 3/60000 370.0 34.566 34.566 19.841 -0.000 0.000 -0.000 3/60000 380.0 33.582 33.582 19.179 -0.000 0.000 -0.000 3/60000 390.0 32.657 32.657 18.562 -0.000 0.000 -0.000 3/60000 400.0 31.786 31.786 17.987 -0.000 0.000 -0.000 3/60000 410.0 30.962 30.962 17.448 -0.000 0.000 -0.000 3/60000 420.0 30.183 30.183 16.943 -0.000 0.000 -0.000 3/60000 430.0 29.444 29.444 16.468 -0.000 0.000 -0.000 3/60000 440.0 28.743 28.743 16.020 -0.000 0.000 -0.000 3/60000 450.0 28.075 28.075 15.598 -0.000 0.000 -0.000 3/60000 460.0 27.440 27.440 15.199 -0.000 0.000 -0.000 3/60000 470.0 26.835 26.835 14.821 -0.000 0.000 -0.000 3/60000 480.0 26.256 26.256 14.463 -0.000 0.000 -0.000 3/60000 490.0 25.703 25.703 14.123 -0.000 0.000 -0.000 3/60000 500.0 25.174 25.174 13.799 -0.000 0.000 -0.000 3/60000 510.0 24.667 24.667 13.490 -0.000 0.000 -0.000 3/60000 520.0 24.181 24.181 13.196 -0.000 0.000 -0.000 3/60000 530.0 23.714 23.714 12.915 -0.000 0.000 -0.000 3/60000 540.0 23.266 23.266 12.647 -0.000 0.000 -0.000 3/60000 550.0 22.835 22.835 12.390 -0.000 0.000 -0.000 3/60000 560.0 22.420 22.420 12.144 -0.000 0.000 -0.000 3/60000 570.0 22.020 22.020 11.908 -0.000 0.000 -0.000 3/60000 580.0 21.635 21.635 11.681 -0.000 0.000 -0.000 3/60000 590.0 21.263 21.263 11.463 -0.000 0.000 -0.000 3/60000 600.0 20.904 20.904 11.254 -0.000 0.000 -0.000 3/60000 610.0 20.558 20.558 11.052 -0.000 0.000 -0.000 3/60000 620.0 20.223 20.223 10.858 -0.000 0.000 -0.000 3/60000 630.0 19.898 19.898 10.671 -0.000 0.000 -0.000 3/60000 640.0 19.585 19.585 10.490 -0.000 0.000 -0.000 3/60000 650.0 19.281 19.281 10.316 -0.000 0.000 -0.000 3/60000 660.0 18.987 18.987 10.148 -0.000 0.000 -0.000 3/60000 670.0 18.702 18.702 9.985 -0.000 0.000 -0.000 3/60000 680.0 18.425 18.425 9.828 -0.000 0.000 -0.000 3/60000 690.0 18.157 18.157 9.676 -0.000 0.000 -0.000 3/60000 700.0 17.896 17.896 9.528 -0.000 0.000 -0.000 3/60000 710.0 17.643 17.643 9.385 -0.000 0.000 -0.000 3/60000 720.0 17.397 17.397 9.247 -0.000 0.000 -0.000 3/60000 730.0 17.158 17.158 9.113 -0.000 0.000 -0.000 3/60000 740.0 16.926 16.926 8.982 -0.000 0.000 -0.000 3/60000 750.0 16.699 16.699 8.856 -0.000 0.000 -0.000 3/60000 760.0 16.479 16.479 8.733 -0.000 0.000 -0.000 3/60000 770.0 16.265 16.265 8.613 -0.000 0.000 -0.000 3/60000 780.0 16.056 16.056 8.497 -0.000 0.000 -0.000 3/60000 790.0 15.853 15.853 8.384 -0.000 0.000 -0.000 3/60000 800.0 15.655 15.655 8.274 -0.000 0.000 -0.000 3/60000 810.0 15.461 15.461 8.167 -0.000 0.000 -0.000 3/60000 820.0 15.273 15.273 8.063 -0.000 0.000 -0.000 3/60000 830.0 15.089 15.089 7.962 -0.000 0.000 -0.000 3/60000 840.0 14.909 14.909 7.863 -0.000 0.000 -0.000 3/60000 850.0 14.734 14.734 7.767 -0.000 0.000 -0.000 3/60000 860.0 14.563 14.563 7.673 -0.000 0.000 -0.000 3/60000 870.0 14.396 14.396 7.581 -0.000 0.000 -0.000 3/60000 880.0 14.232 14.232 7.492 -0.000 0.000 -0.000 3/60000 890.0 14.073 14.073 7.404 -0.000 0.000 -0.000 3/60000 900.0 13.917 13.917 7.319 -0.000 0.000 -0.000 3/60000 910.0 13.764 13.764 7.236 -0.000 0.000 -0.000 3/60000 920.0 13.615 13.615 7.154 -0.000 0.000 -0.000 3/60000 930.0 13.469 13.469 7.075 -0.000 0.000 -0.000 3/60000 940.0 13.326 13.326 6.997 -0.000 0.000 -0.000 3/60000 950.0 13.186 13.186 6.921 -0.000 0.000 -0.000 3/60000 960.0 13.049 13.049 6.847 -0.000 0.000 -0.000 3/60000 970.0 12.915 12.915 6.774 -0.000 0.000 -0.000 3/60000 980.0 12.783 12.783 6.703 -0.000 0.000 -0.000 3/60000 990.0 12.654 12.654 6.633 -0.000 0.000 -0.000 3/60000 1000.0 12.528 12.528 6.565 -0.000 0.000 -0.000 3/60000 Thermal conductivity related properties were written into "kappa-m202010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:01:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|