----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:39:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.967667330443104 1.136033262906956 6.584394739999993 b -1.967667330443100 1.136033262906956 6.584394739999993 c 0.000000000000002 -2.272066525813916 6.584394739999993 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.25742279124423 0.25742279124423 0.25742279124423 32.065 3 S 0.74257720875577 0.74257720875577 0.74257720875577 32.065 *4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.935334660886205 0.000000000000000 0.000000000000000 b -1.967667330443102 3.408099788720873 0.000000000000000 c 0.000000000000000 0.000000000000000 19.753184220000001 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 S 0.00000000000000 0.00000000000000 0.25742279124423 32.065 > 2 5 S 0.66666666666667 0.33333333333333 0.07591054208910 32.065 > 3 6 S 0.66666666666667 0.33333333333333 0.59075612457756 32.065 > 2 7 S 0.33333333333333 0.66666666666667 0.40924387542244 32.065 > 3 8 S 0.33333333333333 0.66666666666667 0.92408945791090 32.065 > 2 9 S 0.00000000000000 0.00000000000000 0.74257720875577 32.065 > 3 *10 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 11 Y 0.66666666666667 0.33333333333333 0.33333333333333 88.906 > 4 12 Y 0.33333333333333 0.66666666666667 0.66666666666667 88.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.806003982658615 0.000000000000000 0.000000000000000 b -5.903001991329306 10.224299366162619 0.000000000000000 c 0.000000000000000 0.000000000000000 19.753184220000001 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 S 0.00000000000000 0.00000000000000 0.25742279124423 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.25742279124423 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.25742279124423 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.25742279124423 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.25742279124423 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.25742279124423 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.25742279124423 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.25742279124423 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.25742279124423 32.065 > 2 37 S 0.22222222222222 0.11111111111111 0.07591054208910 32.065 > 3 38 S 0.55555555555556 0.11111111111111 0.07591054208910 32.065 > 3 39 S 0.88888888888889 0.11111111111111 0.07591054208910 32.065 > 3 40 S 0.22222222222222 0.44444444444444 0.07591054208910 32.065 > 3 41 S 0.55555555555556 0.44444444444444 0.07591054208910 32.065 > 3 42 S 0.88888888888889 0.44444444444444 0.07591054208910 32.065 > 3 43 S 0.22222222222222 0.77777777777778 0.07591054208910 32.065 > 3 44 S 0.55555555555556 0.77777777777778 0.07591054208910 32.065 > 3 45 S 0.88888888888889 0.77777777777778 0.07591054208910 32.065 > 3 46 S 0.22222222222222 0.11111111111111 0.59075612457756 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.59075612457756 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.59075612457756 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.59075612457756 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.59075612457756 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.59075612457756 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.59075612457756 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.59075612457756 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.59075612457756 32.065 > 2 55 S 0.11111111111111 0.22222222222222 0.40924387542244 32.065 > 3 56 S 0.44444444444444 0.22222222222222 0.40924387542244 32.065 > 3 57 S 0.77777777777778 0.22222222222222 0.40924387542244 32.065 > 3 58 S 0.11111111111111 0.55555555555556 0.40924387542244 32.065 > 3 59 S 0.44444444444444 0.55555555555556 0.40924387542244 32.065 > 3 60 S 0.77777777777778 0.55555555555556 0.40924387542244 32.065 > 3 61 S 0.11111111111111 0.88888888888889 0.40924387542244 32.065 > 3 62 S 0.44444444444444 0.88888888888889 0.40924387542244 32.065 > 3 63 S 0.77777777777778 0.88888888888889 0.40924387542244 32.065 > 3 64 S 0.11111111111111 0.22222222222222 0.92408945791090 32.065 > 2 65 S 0.44444444444444 0.22222222222222 0.92408945791090 32.065 > 2 66 S 0.77777777777778 0.22222222222222 0.92408945791090 32.065 > 2 67 S 0.11111111111111 0.55555555555556 0.92408945791090 32.065 > 2 68 S 0.44444444444444 0.55555555555556 0.92408945791090 32.065 > 2 69 S 0.77777777777778 0.55555555555556 0.92408945791090 32.065 > 2 70 S 0.11111111111111 0.88888888888889 0.92408945791090 32.065 > 2 71 S 0.44444444444444 0.88888888888889 0.92408945791090 32.065 > 2 72 S 0.77777777777778 0.88888888888889 0.92408945791090 32.065 > 2 73 S 0.00000000000000 0.00000000000000 0.74257720875577 32.065 > 3 74 S 0.33333333333333 0.00000000000000 0.74257720875577 32.065 > 3 75 S 0.66666666666667 0.00000000000000 0.74257720875577 32.065 > 3 76 S 0.00000000000000 0.33333333333333 0.74257720875577 32.065 > 3 77 S 0.33333333333333 0.33333333333333 0.74257720875577 32.065 > 3 78 S 0.66666666666667 0.33333333333333 0.74257720875577 32.065 > 3 79 S 0.00000000000000 0.66666666666667 0.74257720875577 32.065 > 3 80 S 0.33333333333333 0.66666666666667 0.74257720875577 32.065 > 3 81 S 0.66666666666667 0.66666666666667 0.74257720875577 32.065 > 3 *82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 4 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 4 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 4 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 4 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 4 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 4 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 4 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 4 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 4 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 4 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 4 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 4 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 4 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 4 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 4 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 4 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 4 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 4 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 4 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 4 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 4 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 4 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 4 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 4 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 4 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0312566 0.0000000 0.0000000 0.0000000 6.0312566 0.0000000 0.0000000 0.0000000 4.4427348 -------------------------- Born effective charges -------------------------- 1 Na 1.0825952 0.0000000 0.0000000 0.0000000 1.0825952 0.0000000 0.0000000 0.0000000 1.6340693 2 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 3 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 4 Y 4.3046233 0.0000000 0.0000000 0.0000000 4.3046233 0.0000000 0.0000000 0.0000000 1.9521272 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.130 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.137 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), 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 23:39:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:39:07]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.967667330443104 1.136033262906956 6.584394739999993 b -1.967667330443100 1.136033262906956 6.584394739999993 c 0.000000000000002 -2.272066525813916 6.584394739999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.25742279124423 0.25742279124423 0.25742279124423 32.065 3 S 0.74257720875577 0.74257720875577 0.74257720875577 32.065 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.806003982658615 0.000000000000000 0.000000000000000 b -5.903001991329306 10.224299366162619 0.000000000000000 c 0.000000000000000 0.000000000000000 19.753184220000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.00000000000000 0.00000000000000 0.25742279124423 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.25742279124423 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.25742279124423 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.25742279124423 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.25742279124423 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.25742279124423 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.25742279124423 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.25742279124423 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.25742279124423 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.07591054208910 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.07591054208910 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.07591054208910 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.07591054208910 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.07591054208910 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.07591054208910 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.07591054208910 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.07591054208910 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.07591054208910 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.59075612457756 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.59075612457756 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.59075612457756 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.59075612457756 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.59075612457756 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.59075612457756 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.59075612457756 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.59075612457756 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.59075612457756 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.40924387542244 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.40924387542244 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.40924387542244 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.40924387542244 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.40924387542244 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.40924387542244 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.40924387542244 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.40924387542244 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.40924387542244 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.92408945791090 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.92408945791090 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.92408945791090 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.92408945791090 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.92408945791090 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.92408945791090 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.92408945791090 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.92408945791090 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.92408945791090 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.74257720875577 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.74257720875577 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.74257720875577 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.74257720875577 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.74257720875577 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.74257720875577 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.74257720875577 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.74257720875577 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.74257720875577 32.065 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0312566 0.0000000 0.0000000 0.0000000 6.0312566 0.0000000 0.0000000 0.0000000 4.4427348 -------------------------- Born effective charges -------------------------- 1 Na 1.0825952 0.0000000 0.0000000 0.0000000 1.0825952 0.0000000 0.0000000 0.0000000 1.6340693 2 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 3 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 4 Y 4.3046233 0.0000000 0.0000000 0.0000000 4.3046233 0.0000000 0.0000000 0.0000000 1.9521272 ---------------------------------------------------------------------------- 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[ 28, 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[ 82, 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 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 23:39:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:39:12]------------------------- 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 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.967667330443104 1.136033262906956 6.584394739999993 b -1.967667330443100 1.136033262906956 6.584394739999993 c 0.000000000000002 -2.272066525813916 6.584394739999993 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.25742279124423 0.25742279124423 0.25742279124423 32.065 3 S 0.74257720875577 0.74257720875577 0.74257720875577 32.065 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.806003982658615 0.000000000000000 0.000000000000000 b -5.903001991329306 10.224299366162619 0.000000000000000 c 0.000000000000000 0.000000000000000 19.753184220000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.00000000000000 0.00000000000000 0.25742279124423 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.25742279124423 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.25742279124423 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.25742279124423 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.25742279124423 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.25742279124423 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.25742279124423 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.25742279124423 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.25742279124423 32.065 > 28 37 S 0.22222222222222 0.11111111111111 0.07591054208910 32.065 > 37 38 S 0.55555555555556 0.11111111111111 0.07591054208910 32.065 > 37 39 S 0.88888888888889 0.11111111111111 0.07591054208910 32.065 > 37 40 S 0.22222222222222 0.44444444444444 0.07591054208910 32.065 > 37 41 S 0.55555555555556 0.44444444444444 0.07591054208910 32.065 > 37 42 S 0.88888888888889 0.44444444444444 0.07591054208910 32.065 > 37 43 S 0.22222222222222 0.77777777777778 0.07591054208910 32.065 > 37 44 S 0.55555555555556 0.77777777777778 0.07591054208910 32.065 > 37 45 S 0.88888888888889 0.77777777777778 0.07591054208910 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.59075612457756 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.59075612457756 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.59075612457756 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.59075612457756 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.59075612457756 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.59075612457756 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.59075612457756 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.59075612457756 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.59075612457756 32.065 > 28 55 S 0.11111111111111 0.22222222222222 0.40924387542244 32.065 > 37 56 S 0.44444444444444 0.22222222222222 0.40924387542244 32.065 > 37 57 S 0.77777777777778 0.22222222222222 0.40924387542244 32.065 > 37 58 S 0.11111111111111 0.55555555555556 0.40924387542244 32.065 > 37 59 S 0.44444444444444 0.55555555555556 0.40924387542244 32.065 > 37 60 S 0.77777777777778 0.55555555555556 0.40924387542244 32.065 > 37 61 S 0.11111111111111 0.88888888888889 0.40924387542244 32.065 > 37 62 S 0.44444444444444 0.88888888888889 0.40924387542244 32.065 > 37 63 S 0.77777777777778 0.88888888888889 0.40924387542244 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.92408945791090 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.92408945791090 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.92408945791090 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.92408945791090 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.92408945791090 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.92408945791090 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.92408945791090 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.92408945791090 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.92408945791090 32.065 > 28 73 S 0.00000000000000 0.00000000000000 0.74257720875577 32.065 > 37 74 S 0.33333333333333 0.00000000000000 0.74257720875577 32.065 > 37 75 S 0.66666666666667 0.00000000000000 0.74257720875577 32.065 > 37 76 S 0.00000000000000 0.33333333333333 0.74257720875577 32.065 > 37 77 S 0.33333333333333 0.33333333333333 0.74257720875577 32.065 > 37 78 S 0.66666666666667 0.33333333333333 0.74257720875577 32.065 > 37 79 S 0.00000000000000 0.66666666666667 0.74257720875577 32.065 > 37 80 S 0.33333333333333 0.66666666666667 0.74257720875577 32.065 > 37 81 S 0.66666666666667 0.66666666666667 0.74257720875577 32.065 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0312566 0.0000000 0.0000000 0.0000000 6.0312566 0.0000000 0.0000000 0.0000000 4.4427348 -------------------------- Born effective charges -------------------------- 1 Na 1.0825952 0.0000000 0.0000000 0.0000000 1.0825952 0.0000000 0.0000000 0.0000000 1.6340693 2 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 3 S -2.6936092 -0.0000000 0.0000000 0.0000000 -2.6936092 0.0000000 0.0000000 0.0000000 -1.7930983 4 Y 4.3046233 0.0000000 0.0000000 0.0000000 4.3046233 0.0000000 0.0000000 0.0000000 1.9521272 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 325, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 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 3.853 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 6.467 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 25.693 14.834 1.353) 29.699 0.584 ( 25.692 14.833 0.443) 29.670 1.130 ( 48.137 27.792 8.829) 56.280 3.858 ( 0.294 0.170 0.867) 0.931 3.885 ( 3.077 1.776 -2.451) 4.316 5.514 ( -2.932 -1.693 2.894) 4.454 6.058 ( 1.435 0.829 1.179) 2.034 6.459 ( -0.604 -0.349 -0.615) 0.930 6.546 ( 6.523 3.766 0.843) 7.580 7.978 ( -4.757 -2.746 -17.671) 18.505 8.145 ( -3.445 -1.989 8.309) 9.212 9.725 ( -2.992 -1.727 -7.313) 8.088 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 25.285 14.598 -1.471) 29.234 1.169 ( 25.855 14.927 0.530) 29.860 2.219 ( 45.558 26.303 6.327) 52.985 3.869 ( 0.278 0.161 1.678) 1.708 3.970 ( 5.248 3.030 -3.540) 7.018 5.441 ( -4.216 -2.434 3.058) 5.749 6.111 ( 2.715 1.567 2.240) 3.853 6.440 ( -0.640 -0.369 -1.438) 1.616 6.739 ( 9.417 5.437 1.696) 11.005 7.761 ( -10.252 -5.919 -7.655) 14.098 8.058 ( -6.400 -3.695 7.295) 10.384 9.587 ( -6.529 -3.770 -10.264) 12.735 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 23.679 13.671 -4.038) 27.639 1.748 ( 25.149 14.520 -0.725) 29.048 3.204 ( 39.600 22.863 0.921) 45.736 3.879 ( -0.109 -0.063 2.430) 2.433 4.101 ( 7.419 4.284 -0.885) 8.613 5.350 ( -5.090 -2.939 5.225) 7.864 6.190 ( 3.243 1.872 3.302) 4.993 6.428 ( 0.458 0.264 -2.678) 2.730 6.942 ( 6.926 3.999 1.151) 8.080 7.491 ( -11.669 -6.737 1.156) 13.523 7.918 ( -7.320 -4.226 3.853) 9.289 9.367 ( -9.086 -5.246 -13.959) 17.462 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 20.268 11.702 -6.534) 24.299 2.287 ( 22.774 13.149 -2.212) 26.390 3.880 ( -0.672 -0.388 3.149) 3.243 3.919 ( 21.930 12.662 -8.150) 26.602 4.367 ( 17.540 10.127 6.338) 21.223 5.248 ( -5.898 -3.405 8.585) 10.958 6.266 ( 2.082 1.202 3.925) 4.603 6.455 ( 3.049 1.761 -3.706) 5.112 6.987 ( -4.110 -2.373 0.593) 4.783 7.313 ( -4.140 -2.390 6.298) 7.907 7.769 ( -6.125 -3.536 0.556) 7.094 9.100 ( -9.651 -5.572 -15.666) 19.225 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 15.039 8.683 -7.763) 19.022 2.747 ( 18.443 10.648 -3.502) 21.582 3.870 ( -1.178 -0.680 3.724) 3.965 4.222 ( 10.575 6.106 -3.241) 12.634 4.810 ( 15.493 8.945 -1.560) 17.958 5.154 ( -4.885 -2.820 12.765) 13.955 6.309 ( 0.914 0.527 2.765) 2.959 6.535 ( 4.629 2.673 -2.878) 6.071 6.862 ( -5.372 -3.102 6.199) 8.769 7.268 ( -2.760 -1.594 1.701) 3.612 7.657 ( -3.358 -1.939 -2.825) 4.797 8.849 ( -7.857 -4.536 -12.891) 15.763 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 8.871 5.121 -6.361) 12.057 3.085 ( 12.341 7.125 -3.770) 14.741 3.853 ( -1.407 -0.813 3.618) 3.966 4.448 ( 9.961 5.751 1.209) 11.565 4.942 ( -1.553 -0.897 3.674) 4.088 5.145 ( -0.374 -0.216 1.401) 1.466 6.333 ( 0.633 0.365 1.428) 1.604 6.625 ( 3.722 2.149 -1.633) 4.597 6.827 ( -0.205 -0.118 7.859) 7.862 7.192 ( -3.802 -2.195 -0.218) 4.396 7.601 ( -0.150 -0.086 -6.204) 6.206 8.669 ( -5.136 -2.966 -6.739) 8.977 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.868 1.656 -2.427) 4.106 3.268 ( 4.503 2.600 -1.830) 5.512 3.835 ( -0.768 -0.444 1.716) 1.932 4.653 ( 6.418 3.706 -0.210) 7.414 4.920 ( -1.089 -0.629 11.588) 11.656 5.068 ( -3.996 -2.307 -9.017) 10.129 6.347 ( 0.261 0.151 0.436) 0.531 6.681 ( 1.398 0.807 -0.529) 1.699 6.866 ( 0.992 0.573 3.517) 3.699 7.116 ( -2.257 -1.303 -0.263) 2.620 7.602 ( 1.075 0.621 -3.415) 3.634 8.573 ( -1.988 -1.148 -1.693) 2.852 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -0.000 28.694 10.992) 30.728 0.635 ( -0.000 29.062 9.406) 30.546 1.132 ( -0.000 54.035 9.424) 54.851 3.837 ( 0.000 -0.469 -3.205) 3.239 3.897 ( 0.000 4.281 -0.111) 4.283 5.516 ( -0.000 -5.091 3.276) 6.054 6.039 ( 0.000 0.866 -2.390) 2.542 6.474 ( -0.000 -0.086 2.249) 2.250 6.532 ( 0.000 7.010 -1.886) 7.259 7.882 ( 0.000 -1.261 -29.319) 29.346 8.173 ( -0.000 -3.547 8.374) 9.094 9.732 ( 0.000 -0.644 -5.703) 5.739 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 10.685 24.846 7.763) 28.138 1.110 ( 12.978 28.168 4.024) 31.274 1.947 ( 27.862 44.471 8.427) 53.151 3.844 ( 2.601 -0.460 -3.142) 4.105 3.949 ( 0.724 5.359 -1.063) 5.511 5.458 ( -1.467 -5.486 1.806) 5.959 6.076 ( 3.290 1.053 -1.188) 3.653 6.464 ( -1.642 0.804 1.109) 2.138 6.668 ( 6.516 7.849 -0.231) 10.203 7.747 ( -1.929 -8.072 -17.333) 19.218 8.126 ( -3.510 -6.209 9.227) 11.662 9.636 ( -6.463 -2.591 -6.903) 9.805 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 17.451 20.409 2.301) 26.951 1.627 ( 15.619 25.562 1.161) 29.978 2.878 ( 31.745 35.217 3.497) 47.542 3.886 ( 2.089 1.139 -0.447) 2.421 4.029 ( 4.213 4.741 -1.358) 6.486 5.379 ( -2.032 -5.955 3.086) 7.008 6.152 ( 4.196 1.503 0.440) 4.479 6.450 ( -1.758 2.134 -0.238) 2.775 6.866 ( 7.549 5.868 0.807) 9.595 7.552 ( -5.217 -9.496 -7.206) 13.012 8.003 ( -6.312 -6.958 7.259) 11.873 9.428 ( -9.845 -4.810 -11.110) 15.604 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 18.096 16.562 -3.000) 24.714 2.137 ( 16.236 22.713 -0.211) 27.920 3.657 ( 24.311 22.276 -6.221) 33.556 3.918 ( -0.863 2.683 1.380) 3.138 4.228 ( 12.893 8.732 5.230) 16.427 5.296 ( -2.461 -6.302 5.757) 8.883 6.242 ( 3.973 1.251 2.128) 4.678 6.451 ( -0.808 3.786 -1.842) 4.288 6.988 ( 1.824 -0.098 -0.708) 1.959 7.381 ( -4.156 -4.880 2.046) 6.728 7.843 ( -6.811 -5.998 4.111) 9.964 9.149 ( -10.600 -6.757 -14.677) 19.324 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 15.408 12.281 -6.747) 20.827 2.608 ( 14.648 19.793 -1.366) 24.662 3.921 ( -2.218 2.384 2.256) 3.961 4.072 ( 13.230 8.717 -6.603) 17.164 4.651 ( 16.635 13.879 3.234) 21.904 5.217 ( -2.505 -5.707 9.674) 11.508 6.314 ( 1.940 0.901 3.780) 4.344 6.492 ( 1.884 4.412 -3.155) 5.742 6.935 ( -3.770 -2.966 1.474) 5.018 7.321 ( -2.911 -0.462 3.098) 4.277 7.697 ( -5.373 -4.090 0.537) 6.774 8.866 ( -7.821 -7.615 -14.343) 18.025 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 11.230 7.894 -7.384) 15.587 2.996 ( 10.532 16.570 -2.585) 19.803 3.907 ( -2.789 1.655 3.142) 4.515 4.332 ( 10.970 6.858 -1.374) 13.010 4.927 ( 4.357 4.213 -2.505) 6.558 5.183 ( -1.360 -1.949 9.715) 10.002 6.356 ( -0.037 2.094 3.630) 4.190 6.572 ( 3.896 3.228 -2.374) 5.589 6.878 ( -1.915 0.304 3.898) 4.354 7.260 ( -5.001 0.065 2.336) 5.521 7.586 ( -2.590 -2.573 -5.206) 6.358 8.660 ( -3.280 -7.074 -8.937) 11.861 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 6.400 4.011 -5.040) 9.080 3.260 ( 4.482 12.849 -2.704) 13.874 3.881 ( -2.985 1.054 3.186) 4.491 4.563 ( 8.733 5.558 -0.923) 10.392 4.953 ( -0.952 0.544 -0.212) 1.117 5.134 ( -5.276 -1.716 4.240) 6.983 6.378 ( -1.325 2.798 1.944) 3.656 6.654 ( 2.949 2.012 -1.149) 3.750 6.892 ( -0.129 2.756 2.003) 3.410 7.171 ( -5.742 -0.698 1.982) 6.114 7.549 ( 2.543 -1.153 -4.913) 5.651 8.550 ( -0.213 -5.583 -3.336) 6.507 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 1.219 0.548 -0.966) 1.649 3.369 ( -3.574 8.171 -0.403) 8.928 3.854 ( -2.012 1.337 0.997) 2.613 4.684 ( 0.822 -0.248 -0.424) 0.958 4.883 ( -3.453 0.554 -17.399) 17.747 5.113 ( -0.060 2.499 17.071) 17.253 6.378 ( -1.887 2.257 0.007) 2.942 6.691 ( 0.083 0.423 -0.208) 0.479 6.905 ( -3.170 3.715 -2.616) 5.541 7.108 ( -0.228 0.108 0.884) 0.920 7.584 ( 2.743 -1.968 2.139) 3.996 8.520 ( 2.935 -3.546 -0.205) 4.607 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -4.542 -2.829 3.285) 6.279 3.288 ( -12.530 2.590 2.722) 13.081 3.853 ( -0.381 2.797 -2.201) 3.580 4.548 ( -9.211 -5.090 -4.166) 11.318 4.869 ( 4.436 2.730 -11.927) 13.014 5.194 ( -1.932 2.301 11.675) 12.056 6.358 ( -1.990 0.931 -1.973) 2.953 6.664 ( -2.831 -1.036 0.743) 3.104 6.851 ( -3.996 3.010 -5.732) 7.608 7.165 ( 3.141 3.317 0.742) 4.628 7.604 ( 0.996 -2.288 5.730) 6.250 8.586 ( 7.204 -1.760 3.650) 8.266 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( -11.316 -5.994 5.982) 14.134 3.026 ( -19.612 -1.823 3.346) 19.979 3.873 ( -0.199 3.772 -3.403) 5.084 4.330 ( -8.721 -5.311 -1.903) 10.386 4.939 ( 1.077 0.614 -1.626) 2.045 5.111 ( -8.428 -1.967 -2.966) 9.149 6.320 ( -1.438 -0.584 -3.382) 3.721 6.595 ( -4.208 -1.049 2.135) 4.834 6.828 ( 0.040 4.493 -5.731) 7.283 7.248 ( 2.139 3.247 -0.406) 3.910 7.631 ( 2.199 -0.462 3.786) 4.402 8.753 ( 10.777 0.082 9.109) 14.111 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -18.564 -8.481 5.969) 21.265 2.628 ( -24.595 -4.081 2.504) 25.057 3.891 ( -0.876 3.878 -3.533) 5.319 4.130 ( -10.236 -6.112 4.603) 12.779 4.629 ( -25.939 -8.807 -0.998) 27.412 5.120 ( 7.699 1.401 -9.360) 12.200 6.276 ( -1.535 -1.148 -3.542) 4.027 6.524 ( -4.507 0.189 3.163) 5.509 6.912 ( 5.944 4.073 -2.897) 7.766 7.283 ( 0.134 1.944 -4.121) 4.558 7.702 ( 4.815 1.285 1.353) 5.164 9.002 ( 12.537 2.181 12.117) 17.571 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -24.531 -9.663 3.718) 26.626 2.148 ( -27.848 -3.897 1.878) 28.182 3.706 ( -35.851 -11.211 3.346) 37.712 3.896 ( -1.900 2.876 -2.606) 4.322 4.192 ( -10.418 -5.374 -1.902) 11.876 5.238 ( 7.573 0.748 -5.413) 9.339 6.215 ( -2.864 -1.365 -2.986) 4.356 6.475 ( -3.140 1.268 2.769) 4.374 6.990 ( -1.358 -1.571 -0.280) 2.096 7.343 ( 8.605 4.208 -5.148) 10.875 7.822 ( 6.774 1.996 -0.323) 7.069 9.279 ( 11.872 3.107 10.655) 16.252 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -27.684 -7.753 1.311) 28.779 1.629 ( -30.346 -2.345 1.257) 30.462 2.851 ( -49.281 -10.064 -1.531) 50.321 3.879 ( -1.467 1.009 -1.728) 2.481 4.046 ( -5.203 -2.213 1.751) 5.919 5.350 ( 6.579 0.333 -2.418) 7.018 6.141 ( -3.306 -0.972 -1.729) 3.855 6.459 ( -1.226 1.082 1.493) 2.214 6.856 ( -9.221 -2.781 -1.125) 9.697 7.591 ( 14.932 3.109 -0.183) 15.254 7.954 ( 6.892 1.444 -1.743) 7.254 9.517 ( 9.392 2.298 6.183) 11.477 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -28.525 0.000 0.000) 28.525 1.090 ( -31.832 0.000 0.000) 31.832 1.902 ( -54.504 0.000 0.000) 54.504 3.861 ( -0.733 0.000 0.000) 0.733 3.954 ( -4.901 0.000 0.000) 4.901 5.448 ( 5.059 -0.000 -0.000) 5.059 6.082 ( -2.519 0.000 0.000) 2.519 6.458 ( 0.055 -0.000 -0.000) 0.055 6.669 ( -9.949 0.000 0.000) 9.949 7.853 ( 13.036 -0.000 -0.000) 13.036 8.063 ( 5.449 -0.000 -0.000) 5.449 9.673 ( 6.217 -0.000 -0.000) 6.217 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.000 28.556 7.517) 29.528 1.270 ( -0.000 28.980 9.728) 30.569 2.229 ( -0.000 51.953 7.463) 52.486 3.794 ( 0.000 -0.861 -5.478) 5.545 4.004 ( 0.000 6.383 -0.723) 6.424 5.410 ( -0.000 -6.818 0.456) 6.833 6.046 ( 0.000 2.060 -3.525) 4.083 6.495 ( -0.000 0.272 3.394) 3.405 6.694 ( 0.000 10.425 -2.619) 10.749 7.605 ( 0.000 -10.302 -17.225) 20.070 8.115 ( -0.000 -8.065 8.493) 11.712 9.655 ( 0.000 -3.898 -3.891) 5.508 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.599 27.290 7.064) 28.418 1.691 ( 9.460 27.646 5.081) 29.658 2.884 ( 15.183 45.425 4.069) 48.068 3.810 ( 4.871 -0.060 -4.498) 6.630 4.059 ( -0.314 6.182 -0.805) 6.242 5.337 ( -0.434 -7.579 1.191) 7.684 6.093 ( 3.685 2.210 -2.495) 4.968 6.501 ( -1.047 1.716 2.223) 2.997 6.829 ( 4.421 8.530 -1.368) 9.705 7.446 ( 0.265 -12.257 -11.353) 16.709 8.030 ( -3.156 -8.965 6.909) 11.750 9.520 ( -8.449 -5.014 -5.657) 11.337 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 8.267 23.197 1.995) 24.707 2.149 ( 11.804 25.995 3.131) 28.721 3.539 ( 15.748 28.807 -5.696) 33.320 3.927 ( 5.444 4.560 -0.734) 7.139 4.156 ( 6.515 9.345 3.519) 11.923 5.260 ( -0.396 -8.075 3.299) 8.732 6.180 ( 4.609 1.664 -0.571) 4.933 6.515 ( -1.222 4.080 0.573) 4.297 6.949 ( 2.593 1.845 -1.409) 3.480 7.329 ( 2.155 -8.242 -3.805) 9.330 7.892 ( -5.019 -8.124 4.896) 10.732 9.251 ( -13.190 -6.390 -9.196) 17.303 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 9.664 17.265 -3.298) 20.059 2.609 ( 11.758 24.622 2.155) 27.371 3.918 ( 12.382 10.431 -7.307) 17.763 3.991 ( -1.241 4.000 -0.718) 4.249 4.545 ( 15.445 18.213 3.988) 24.210 5.196 ( 0.203 -7.235 6.461) 9.702 6.269 ( 4.305 0.391 2.021) 4.771 6.544 ( -1.224 6.228 -0.916) 6.413 6.936 ( -0.763 -3.625 -1.572) 4.024 7.329 ( 2.391 -1.829 0.113) 3.012 7.751 ( -5.080 -5.720 3.566) 8.440 8.915 ( -12.926 -8.018 -11.530) 19.087 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 9.112 11.588 -5.854) 15.862 3.024 ( 8.905 22.512 0.729) 24.220 3.985 ( -2.569 2.750 0.797) 3.847 4.201 ( 12.295 7.800 -2.083) 14.708 4.878 ( 6.874 7.245 -2.896) 10.399 5.193 ( 1.517 -1.374 8.116) 8.370 6.352 ( 3.893 0.199 5.200) 6.499 6.585 ( -0.798 6.687 -2.294) 7.114 6.893 ( -0.044 -1.780 -0.814) 1.958 7.335 ( -0.954 0.681 0.685) 1.358 7.624 ( -6.053 -3.342 0.147) 6.916 8.620 ( -6.674 -9.118 -9.371) 14.680 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 7.006 7.053 -5.423) 11.324 3.341 ( 4.197 19.224 -0.658) 19.688 3.963 ( -3.351 2.034 2.392) 4.592 4.465 ( 9.986 6.900 -0.448) 12.146 4.961 ( 1.580 1.061 -0.334) 1.932 5.205 ( -2.916 0.079 2.265) 3.694 6.427 ( 0.938 1.668 5.381) 5.711 6.633 ( 1.183 4.166 -2.479) 4.990 6.902 ( 1.950 1.545 -1.367) 2.838 7.311 ( -6.626 2.164 4.852) 8.492 7.495 ( -2.008 -2.362 -6.251) 6.977 8.461 ( 0.270 -8.595 -3.964) 9.469 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 3.559 3.296 -3.089) 5.751 3.531 ( -1.711 15.212 -0.684) 15.324 3.927 ( -3.816 1.515 2.567) 4.843 4.639 ( 4.776 2.796 -1.332) 5.692 4.936 ( -6.321 1.978 -11.997) 13.704 5.186 ( 0.714 1.383 12.611) 12.707 6.438 ( -2.507 1.493 0.636) 2.986 6.684 ( 1.727 1.364 -0.042) 2.201 6.981 ( 2.682 6.816 -2.180) 7.642 7.166 ( -9.334 -1.089 0.902) 9.441 7.506 ( 4.130 -1.307 0.416) 4.352 8.410 ( 3.382 -7.105 -1.017) 7.935 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -0.960 -0.104 0.008) 0.966 3.557 ( -10.424 9.663 1.821) 14.330 3.898 ( -1.971 2.846 -0.019) 3.462 4.630 ( -6.668 -3.951 -2.997) 8.310 4.812 ( -0.562 3.455 -14.054) 14.484 5.295 ( 0.326 4.453 14.082) 14.773 6.388 ( -2.796 -0.931 -3.706) 4.735 6.709 ( -0.982 1.470 2.003) 2.672 6.985 ( -8.910 4.698 -2.414) 10.358 7.137 ( 4.928 3.922 -0.554) 6.322 7.560 ( 3.080 -2.669 4.644) 6.178 8.431 ( 6.985 -5.839 0.973) 9.156 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -6.595 -2.914 2.647) 7.681 3.379 ( -18.874 3.860 3.007) 19.498 3.916 ( -0.560 5.039 -1.882) 5.408 4.414 ( -9.192 -5.114 -5.473) 11.857 4.856 ( 4.872 2.212 -7.155) 8.934 5.303 ( -9.231 1.710 8.418) 12.609 6.311 ( -1.722 -2.925 -5.306) 6.299 6.690 ( -4.467 2.634 2.832) 5.909 6.896 ( -4.603 3.170 -2.037) 5.949 7.250 ( 2.370 5.516 -1.518) 6.192 7.594 ( 2.321 -1.867 3.731) 4.775 8.555 ( 12.437 -4.063 4.776) 13.928 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -13.624 -4.335 3.526) 14.726 3.035 ( -24.408 0.390 1.893) 24.484 3.951 ( -1.182 5.881 -2.178) 6.382 4.211 ( -7.000 -5.774 -1.161) 9.148 4.944 ( 1.404 0.230 0.823) 1.644 5.046 ( -18.140 -1.984 -3.392) 18.561 6.256 ( 0.195 -2.366 -3.670) 4.371 6.636 ( -5.806 2.683 2.533) 6.879 6.883 ( 0.525 2.708 -1.679) 3.229 7.302 ( -0.500 3.009 -2.411) 3.888 7.640 ( 3.645 -0.268 1.428) 3.924 8.796 ( 15.924 -1.161 7.058) 17.456 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -21.404 -3.613 2.244) 21.823 2.596 ( -27.106 -0.804 0.773) 27.129 3.962 ( -3.689 5.344 -3.413) 7.336 4.044 ( -8.306 -5.719 4.262) 10.948 4.491 ( -32.011 -3.770 -0.873) 32.244 5.091 ( 8.192 0.279 -3.367) 8.861 6.230 ( -0.857 -1.028 -1.649) 2.124 6.569 ( -5.198 1.562 1.522) 5.637 6.948 ( 4.367 0.645 -0.428) 4.435 7.293 ( -0.491 1.414 -2.775) 3.153 7.726 ( 5.862 0.491 0.477) 5.901 9.089 ( 15.689 0.583 5.050) 16.492 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -26.987 0.000 0.000) 26.987 2.121 ( -28.599 0.000 0.000) 28.599 3.597 ( -41.456 0.000 0.000) 41.456 3.926 ( -3.469 0.000 0.000) 3.469 4.128 ( -7.311 0.000 0.000) 7.311 5.223 ( 7.827 -0.000 -0.000) 7.827 6.189 ( -2.942 0.000 0.000) 2.942 6.506 ( -3.340 0.000 0.000) 3.340 6.963 ( -3.898 0.000 0.000) 3.898 7.373 ( 10.480 -0.000 -0.000) 10.480 7.840 ( 6.927 -0.000 -0.000) 6.927 9.348 ( 13.015 -0.000 -0.000) 13.015 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -0.000 26.391 4.532) 26.778 1.892 ( -0.000 28.345 7.716) 29.376 3.241 ( -0.000 46.734 3.031) 46.832 3.736 ( 0.000 -0.840 -6.002) 6.061 4.122 ( 0.000 6.432 -0.965) 6.504 5.265 ( -0.000 -8.293 1.325) 8.398 6.078 ( 0.000 3.559 -3.007) 4.660 6.529 ( -0.000 0.978 3.007) 3.162 6.876 ( 0.000 9.150 -2.714) 9.544 7.272 ( 0.000 -13.669 -9.422) 16.602 7.985 ( -0.000 -9.533 5.251) 10.883 9.526 ( 0.000 -6.507 -4.059) 7.669 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.191 24.059 2.541) 24.222 2.256 ( 7.339 26.492 5.397) 28.014 3.639 ( 1.431 20.910 -6.485) 21.939 3.848 ( 10.386 13.391 -2.705) 17.162 4.205 ( 1.898 11.623 3.006) 12.154 5.190 ( 0.037 -8.434 3.326) 9.067 6.134 ( 2.914 3.512 -1.619) 4.842 6.555 ( 0.514 2.233 1.743) 2.879 6.939 ( 0.173 1.531 -2.830) 3.222 7.161 ( 4.401 -8.299 -4.797) 10.548 7.887 ( -2.478 -8.566 3.392) 9.541 9.361 ( -9.191 -7.484 -5.333) 12.997 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 2.835 18.668 -1.690) 18.958 2.683 ( 10.415 25.573 4.801) 28.027 3.809 ( 8.418 7.315 -5.480) 12.426 4.025 ( 1.166 4.992 -5.618) 7.605 4.531 ( 10.487 22.265 2.740) 24.763 5.138 ( 0.902 -5.744 6.515) 8.732 6.217 ( 3.407 1.976 1.058) 4.078 6.603 ( 0.885 4.362 0.097) 4.452 6.896 ( -0.100 -4.854 -2.538) 5.478 7.215 ( 6.709 -2.014 -1.920) 7.263 7.771 ( -3.300 -6.212 2.493) 7.463 9.053 ( -14.862 -8.227 -7.173) 18.439 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 4.541 13.153 -4.370) 14.584 3.115 ( 9.161 24.453 4.104) 26.433 4.029 ( 3.761 3.569 -1.187) 5.319 4.061 ( 8.288 5.550 -3.141) 10.457 4.814 ( 6.098 4.392 -3.806) 8.424 5.195 ( 2.627 5.968 7.116) 9.651 6.297 ( 3.970 0.290 4.636) 6.111 6.663 ( 0.032 6.217 -1.315) 6.354 6.856 ( 0.591 -2.419 -2.532) 3.551 7.292 ( 4.928 -1.447 -1.965) 5.499 7.680 ( -3.245 -3.406 2.551) 5.352 8.685 ( -14.416 -8.869 -7.337) 18.448 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 5.199 8.899 -4.554) 11.268 3.473 ( 4.693 21.358 2.594) 22.021 4.034 ( -1.779 1.999 0.149) 2.680 4.346 ( 12.833 7.177 0.761) 14.723 4.888 ( 5.823 -2.911 -0.350) 6.520 5.281 ( -3.047 6.264 -1.141) 7.059 6.396 ( 5.076 -0.119 6.898) 8.565 6.698 ( -2.917 5.906 -2.614) 7.087 6.855 ( 2.692 -0.457 -3.194) 4.202 7.354 ( 3.660 1.050 -0.606) 3.856 7.577 ( -7.831 -1.433 -0.023) 7.961 8.395 ( -5.970 -8.953 -3.920) 11.453 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 3.915 5.411 -3.267) 7.435 3.704 ( 0.063 16.669 1.203) 16.712 4.014 ( -3.212 1.592 1.852) 4.035 4.578 ( 6.489 4.587 -0.348) 7.954 4.992 ( 4.000 2.816 -0.324) 4.903 5.219 ( -4.225 1.034 -1.445) 4.583 6.481 ( 0.742 0.498 3.980) 4.080 6.676 ( -1.042 1.417 -1.674) 2.428 6.926 ( 5.809 1.578 -2.532) 6.530 7.381 ( -11.890 2.289 1.168) 12.164 7.441 ( 2.973 0.680 -1.914) 3.600 8.280 ( 1.890 -8.163 -0.516) 8.395 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.964 2.246 -1.441) 2.837 3.809 ( -5.351 11.903 1.436) 13.129 3.971 ( -3.607 1.607 1.580) 4.253 4.655 ( 0.176 -0.516 -0.374) 0.661 4.899 ( -10.776 3.572 -13.094) 17.330 5.323 ( 7.032 3.607 10.457) 13.108 6.428 ( -5.168 -1.178 -3.439) 6.318 6.719 ( 2.907 1.242 3.369) 4.620 7.033 ( 5.544 -2.956 -0.576) 6.310 7.227 ( -9.174 9.594 -2.210) 13.457 7.503 ( 2.772 -0.313 2.531) 3.767 8.261 ( 4.896 -7.670 0.194) 9.101 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -3.094 -0.262 0.264) 3.117 3.727 ( -14.717 5.024 2.758) 15.794 3.971 ( -0.696 4.676 -0.316) 4.738 4.519 ( -10.645 -3.888 -4.737) 12.283 4.807 ( 0.261 2.566 -6.428) 6.926 5.455 ( -1.149 3.651 8.149) 9.003 6.308 ( -4.049 -3.044 -4.797) 6.976 6.779 ( -0.541 3.484 3.155) 4.731 6.989 ( -3.944 -3.105 0.771) 5.078 7.281 ( 0.748 9.954 -3.220) 10.488 7.546 ( 2.462 -1.362 3.066) 4.162 8.314 ( 10.121 -6.311 1.473) 12.018 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -8.204 -1.252 0.987) 8.357 3.451 ( -21.916 1.585 1.390) 22.017 4.011 ( -0.045 4.287 -0.271) 4.296 4.289 ( -9.507 -3.868 -2.909) 10.668 4.854 ( 4.494 0.815 -2.439) 5.177 5.368 ( -14.549 0.757 3.234) 14.923 6.224 ( -0.942 -1.954 -2.730) 3.487 6.770 ( -5.289 2.798 1.674) 6.213 6.914 ( -2.301 -0.528 0.033) 2.361 7.340 ( -0.886 3.696 -1.721) 4.172 7.586 ( 2.662 -0.554 1.020) 2.904 8.509 ( 16.680 -2.503 2.502) 17.051 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -14.627 0.000 0.000) 14.627 3.048 ( -26.029 0.000 0.000) 26.029 4.039 ( -0.087 0.000 0.000) 0.087 4.114 ( -7.667 0.000 0.000) 7.667 4.954 ( 7.164 -0.000 -0.000) 7.164 5.008 ( -27.842 0.000 0.000) 27.842 6.216 ( 1.000 -0.000 -0.000) 1.000 6.681 ( -6.465 0.000 0.000) 6.465 6.900 ( 0.988 -0.000 -0.000) 0.988 7.325 ( -2.050 0.000 0.000) 2.050 7.642 ( 4.234 -0.000 -0.000) 4.234 8.807 ( 18.152 -0.000 -0.000) 18.152 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -0.000 21.124 0.029) 21.124 2.463 ( -0.000 25.090 4.526) 25.495 3.693 ( 0.000 0.448 -3.999) 4.024 3.937 ( 0.000 18.936 -9.984) 21.407 4.358 ( -0.000 22.064 5.764) 22.805 5.128 ( -0.000 -6.749 5.924) 8.980 6.147 ( 0.000 4.884 -1.368) 5.072 6.569 ( -0.000 1.451 1.420) 2.030 6.887 ( 0.000 -10.723 -2.701) 11.058 7.079 ( 0.000 3.244 -3.352) 4.664 7.838 ( -0.000 -7.221 1.767) 7.434 9.345 ( 0.000 -9.065 -4.650) 10.188 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -0.478 16.073 -3.292) 16.414 2.779 ( 7.982 22.868 3.383) 24.456 3.734 ( 4.611 3.148 -2.252) 6.020 4.026 ( 1.199 5.094 -9.135) 10.528 4.628 ( 3.411 17.671 0.895) 18.019 5.129 ( 0.787 3.062 9.947) 10.437 6.207 ( 1.508 4.163 0.510) 4.457 6.604 ( 1.923 1.885 -0.034) 2.693 6.793 ( 3.061 -9.879 -0.962) 10.387 7.128 ( 2.185 2.939 -3.014) 4.743 7.767 ( -1.815 -4.561 0.942) 4.998 9.155 ( -9.027 -9.974 -5.271) 14.448 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 1.108 10.960 -5.257) 12.205 3.188 ( 11.925 22.070 3.946) 25.394 3.892 ( 10.257 3.901 -0.423) 10.982 4.048 ( 0.688 2.083 -5.513) 5.933 4.743 ( 2.505 -1.290 -2.403) 3.703 5.292 ( 1.304 15.573 7.455) 17.314 6.270 ( 1.803 1.494 4.036) 4.666 6.663 ( 3.365 1.583 -2.357) 4.403 6.804 ( 4.281 -1.531 -0.635) 4.591 7.178 ( 3.806 -0.719 -2.689) 4.715 7.704 ( -2.327 -1.654 1.255) 3.118 8.832 ( -14.492 -9.947 -5.463) 18.407 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 3.461 7.777 -4.659) 9.704 3.593 ( 7.914 20.658 4.369) 22.549 4.060 ( 0.224 1.512 -2.117) 2.611 4.154 ( 16.289 3.760 0.945) 16.744 4.747 ( 4.104 -5.330 -1.426) 6.877 5.427 ( -3.841 11.447 -0.050) 12.074 6.337 ( 3.652 -0.312 6.448) 7.416 6.734 ( 4.179 1.776 -3.329) 5.631 6.846 ( -1.761 3.993 -2.304) 4.935 7.246 ( 7.204 -2.021 -1.610) 7.653 7.656 ( -3.333 -0.334 1.294) 3.591 8.475 ( -13.547 -8.505 -3.750) 16.429 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 3.961 5.348 -3.042) 7.317 3.855 ( 1.344 14.764 3.088) 15.143 4.067 ( -0.845 1.272 0.050) 1.528 4.485 ( 12.751 6.328 1.394) 14.303 4.819 ( 12.221 -3.992 1.296) 12.921 5.378 ( -10.151 5.505 -5.287) 12.700 6.432 ( 5.510 -0.488 5.818) 8.028 6.767 ( -6.268 2.805 -2.907) 7.457 6.836 ( 3.750 0.602 -2.920) 4.791 7.362 ( 7.135 0.293 -0.846) 7.190 7.567 ( -7.422 0.251 -0.110) 7.427 8.231 ( -5.478 -6.097 -0.344) 8.204 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 2.313 2.891 -1.507) 3.997 3.973 ( -1.582 9.100 1.661) 9.385 4.049 ( -2.929 0.860 1.154) 3.263 4.636 ( 2.264 1.691 -0.200) 2.833 5.072 ( 3.926 5.687 -1.631) 7.101 5.218 ( -0.686 -0.600 -1.019) 1.367 6.514 ( -2.707 2.005 -0.054) 3.369 6.664 ( 0.767 -2.778 1.641) 3.316 6.910 ( 4.910 -1.132 -1.836) 5.363 7.439 ( -5.720 4.447 -2.543) 7.679 7.471 ( 1.591 1.137 1.777) 2.642 8.143 ( 0.587 -5.650 0.784) 5.734 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -0.559 0.786 -0.389) 1.040 3.962 ( -7.913 2.036 1.265) 8.268 4.028 ( -1.190 3.264 0.521) 3.513 4.629 ( -4.398 -1.028 -0.527) 4.547 4.898 ( -11.750 2.136 -5.285) 13.060 5.433 ( 10.024 1.929 3.953) 10.947 6.378 ( -8.382 -1.016 -2.405) 8.779 6.772 ( 6.688 1.375 3.130) 7.511 6.947 ( 2.328 -3.444 -0.868) 4.247 7.398 ( -3.854 6.633 -1.458) 7.809 7.514 ( 1.362 -0.096 1.230) 1.838 8.133 ( 4.580 -4.528 0.398) 6.453 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -3.990 0.000 0.000) 3.990 3.782 ( -15.113 0.000 0.000) 15.113 4.033 ( -0.353 0.000 0.000) 0.353 4.454 ( -12.386 0.000 0.000) 12.386 4.812 ( -0.002 0.000 0.000) 0.002 5.523 ( -1.927 0.000 0.000) 1.927 6.253 ( -4.630 0.000 0.000) 4.630 6.851 ( -0.608 0.000 0.000) 0.608 6.931 ( -0.711 0.000 0.000) 0.711 7.385 ( -2.098 0.000 0.000) 2.098 7.544 ( 2.236 -0.000 -0.000) 2.236 8.246 ( 11.831 -0.000 -0.000) 11.831 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.000 11.582 -6.121) 13.099 2.897 ( 0.000 16.770 -0.549) 16.779 3.726 ( -0.000 4.595 0.903) 4.683 4.028 ( 0.000 3.277 -7.630) 8.304 4.704 ( 0.000 2.225 -0.296) 2.245 5.264 ( -0.000 17.493 11.208) 20.776 6.247 ( -0.000 5.464 0.543) 5.491 6.598 ( 0.000 1.104 -0.627) 1.269 6.650 ( -0.000 -10.701 0.842) 10.734 7.143 ( 0.000 3.927 -3.341) 5.156 7.754 ( -0.000 -1.449 0.300) 1.479 9.108 ( 0.000 -11.759 -5.091) 12.814 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.688 6.517 -7.656) 10.077 3.147 ( 12.686 13.140 -1.488) 18.325 3.821 ( 3.670 6.032 2.481) 7.484 4.038 ( 0.553 1.890 -4.073) 4.524 4.689 ( 0.370 -4.116 -0.282) 4.142 5.485 ( -0.419 18.609 7.434) 20.043 6.294 ( -0.576 3.211 3.019) 4.445 6.593 ( 3.083 -2.962 -2.620) 5.014 6.669 ( 7.419 -1.673 1.296) 7.715 7.161 ( -0.605 2.552 -3.057) 4.028 7.743 ( -1.773 1.998 0.645) 2.748 8.901 ( -7.931 -12.366 -5.063) 15.539 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 2.549 4.350 -5.835) 7.712 3.552 ( 19.503 12.641 -0.173) 23.242 3.964 ( 6.624 3.830 1.383) 7.775 4.056 ( 0.980 0.695 -0.319) 1.244 4.657 ( 1.081 -3.856 -0.555) 4.043 5.618 ( -4.116 12.040 1.981) 12.877 6.320 ( 0.557 0.204 5.478) 5.510 6.641 ( 5.263 -0.194 -4.111) 6.681 6.831 ( 9.332 2.741 0.380) 9.734 7.151 ( -0.473 -0.219 -2.145) 2.207 7.731 ( -3.653 3.591 1.169) 5.254 8.595 ( -11.776 -10.707 -4.002) 16.411 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 4.540 3.282 -3.106) 6.406 3.949 ( 6.439 12.441 2.387) 14.210 4.072 ( 1.052 1.180 -1.889) 2.463 4.205 ( 22.346 0.266 2.774) 22.519 4.652 ( 2.688 -3.232 -0.513) 4.235 5.591 ( -9.135 5.891 -2.054) 11.062 6.366 ( 3.237 -0.502 4.717) 5.743 6.726 ( 5.639 0.317 -2.983) 6.387 6.939 ( -4.907 5.849 -1.986) 7.889 7.188 ( 9.874 -3.310 -0.102) 10.415 7.678 ( -6.202 1.541 0.543) 6.414 8.314 ( -9.596 -5.816 -1.426) 11.311 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 3.966 1.737 -1.100) 4.467 4.062 ( -0.464 4.680 1.403) 4.908 4.084 ( -0.318 0.443 0.032) 0.546 4.607 ( 6.593 4.830 0.316) 8.179 4.755 ( 23.263 -3.269 1.146) 23.520 5.424 ( -13.778 2.066 -2.860) 14.223 6.459 ( 6.703 0.181 2.426) 7.131 6.766 ( -7.303 -0.417 -1.638) 7.496 6.840 ( -0.502 0.836 -1.006) 1.401 7.360 ( 9.979 -0.045 -0.236) 9.982 7.574 ( -6.167 0.368 -0.144) 6.180 8.153 ( -5.286 -1.970 0.350) 5.652 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.858 -0.000 -0.000) 1.858 4.060 ( -3.058 0.000 0.000) 3.058 4.069 ( -1.374 0.000 0.000) 1.374 4.650 ( 0.395 -0.000 -0.000) 0.395 5.162 ( -16.806 0.000 0.000) 16.806 5.176 ( 21.575 -0.000 -0.000) 21.575 6.552 ( -12.533 0.000 0.000) 12.533 6.616 ( 10.438 -0.000 -0.000) 10.438 6.890 ( 3.024 -0.000 -0.000) 3.024 7.482 ( 3.986 -0.000 -0.000) 3.986 7.491 ( -4.191 0.000 0.000) 4.191 8.086 ( -1.243 0.000 0.000) 1.243 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 0.000 1.939 -9.217) 9.419 3.102 ( 0.000 6.542 -3.589) 7.462 3.879 ( -0.000 7.921 4.036) 8.890 4.039 ( 0.000 0.999 -1.571) 1.862 4.645 ( -0.000 -3.885 0.148) 3.888 5.685 ( -0.000 15.156 5.944) 16.280 6.360 ( -0.000 5.074 2.119) 5.499 6.498 ( -0.000 -5.887 1.760) 6.145 6.598 ( 0.000 -0.205 -2.350) 2.359 7.189 ( 0.000 2.957 -2.424) 3.824 7.804 ( -0.000 6.295 1.047) 6.381 8.819 ( 0.000 -14.047 -5.017) 14.916 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 1.632 0.677 -6.482) 6.719 3.283 ( 16.223 3.773 -3.017) 16.927 3.976 ( 1.399 6.258 3.260) 7.194 4.046 ( 0.556 -0.104 0.090) 0.572 4.618 ( 0.256 -2.063 -0.158) 2.085 5.795 ( -3.090 8.966 2.796) 9.887 6.360 ( -2.739 0.778 4.056) 4.956 6.536 ( 5.259 -0.318 -2.635) 5.891 6.663 ( 9.277 -0.335 -0.069) 9.283 7.191 ( -1.981 2.021 -1.608) 3.255 7.858 ( -3.358 8.374 1.655) 9.173 8.614 ( -5.724 -13.001 -4.236) 14.823 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 4.700 0.886 -2.534) 5.413 3.680 ( 26.897 2.630 -1.603) 27.072 4.058 ( 1.228 -0.656 1.313) 1.914 4.059 ( 1.712 3.281 1.206) 3.892 4.611 ( 0.582 -0.814 -0.215) 1.023 5.773 ( -7.008 3.549 0.097) 7.856 6.350 ( -0.045 -0.060 2.746) 2.747 6.619 ( 5.846 0.109 -2.125) 6.221 6.876 ( 14.096 1.261 0.099) 14.152 7.142 ( -4.939 0.156 -0.706) 4.992 7.834 ( -8.046 4.438 0.992) 9.243 8.389 ( -6.869 -6.619 -1.936) 9.733 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 5.275 -0.000 -0.000) 5.275 4.077 ( 1.066 -0.000 -0.000) 1.066 4.082 ( 2.713 -0.000 -0.000) 2.713 4.217 ( 29.630 -0.000 -0.000) 29.630 4.618 ( 0.833 -0.000 -0.000) 0.833 5.639 ( -10.599 0.000 0.000) 10.599 6.379 ( 3.111 -0.000 -0.000) 3.111 6.717 ( 5.712 -0.000 -0.000) 5.712 7.006 ( -10.326 0.000 0.000) 10.326 7.140 ( 14.756 -0.000 -0.000) 14.756 7.700 ( -8.722 0.000 0.000) 8.722 8.248 ( -6.470 0.000 0.000) 6.470 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 0.000 -0.701 -4.310) 4.367 3.153 ( 0.000 1.485 -1.662) 2.229 4.024 ( -0.000 3.664 1.889) 4.123 4.038 ( -0.000 -0.493 0.316) 0.586 4.603 ( 0.000 -0.681 -0.119) 0.691 5.898 ( -0.000 4.445 1.758) 4.780 6.433 ( -0.000 -1.827 0.681) 1.950 6.465 ( -0.000 3.578 2.783) 4.533 6.559 ( 0.000 -1.798 -2.916) 3.426 7.221 ( 0.000 1.227 -0.760) 1.444 7.990 ( -0.000 9.270 1.917) 9.467 8.522 ( 0.000 -11.290 -3.347) 11.775 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 3.116 -0.000 -0.000) 3.116 3.304 ( 16.662 -0.000 -0.000) 16.662 4.041 ( 0.653 -0.000 -0.000) 0.653 4.056 ( 1.099 -0.000 -0.000) 1.099 4.601 ( 0.217 -0.000 -0.000) 0.217 5.887 ( -4.036 0.000 0.000) 4.036 6.380 ( -2.764 0.000 0.000) 2.764 6.530 ( 3.941 -0.000 -0.000) 3.941 6.657 ( 11.217 -0.000 -0.000) 11.217 7.207 ( -2.309 0.000 0.000) 2.309 7.996 ( -5.974 0.000 0.000) 5.974 8.425 ( -3.081 0.000 0.000) 3.081 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( -0.000 0.000 28.118) 28.118 0.287 ( -0.000 0.000 28.118) 28.118 0.462 ( -0.000 0.000 45.330) 45.330 3.840 ( 0.000 -0.000 -2.452) 2.452 3.840 ( 0.000 -0.000 -2.452) 2.452 6.033 ( 0.000 -0.000 -1.313) 1.313 6.033 ( 0.000 -0.000 -1.313) 1.313 6.476 ( -0.000 0.000 1.756) 1.756 6.476 ( -0.000 0.000 1.756) 1.756 6.608 ( 0.000 -0.000 -9.506) 9.506 8.195 ( -0.000 0.000 6.061) 6.061 9.607 ( 0.000 -0.000 -0.763) 0.763 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 21.059 12.158 12.781) 27.471 0.661 ( 19.635 11.337 14.604) 26.970 1.285 ( 42.490 24.532 20.307) 53.100 3.850 ( 2.653 1.532 -4.376) 5.342 3.854 ( 1.051 0.607 -1.630) 2.032 5.561 ( -6.156 -3.554 5.359) 8.902 6.062 ( 2.112 1.219 -0.389) 2.469 6.462 ( -1.164 -0.672 1.295) 1.866 6.551 ( 7.185 4.148 0.143) 8.298 7.673 ( 12.414 7.167 -37.583) 40.224 8.230 ( -1.538 -0.888 8.033) 8.227 9.625 ( -2.421 -1.398 -9.985) 10.369 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 22.141 12.783 4.681) 25.992 1.203 ( 23.731 13.701 6.019) 28.056 2.304 ( 42.099 24.306 9.748) 49.580 3.874 ( 1.026 0.592 -0.754) 1.405 3.932 ( 5.944 3.432 -3.624) 7.761 5.472 ( -3.770 -2.177 2.553) 5.046 6.125 ( 3.404 1.965 0.302) 3.942 6.436 ( -1.383 -0.799 0.683) 1.737 6.755 ( 9.713 5.608 1.404) 11.303 7.634 ( -3.698 -2.135 -16.091) 16.648 8.152 ( -7.557 -4.363 10.097) 13.345 9.464 ( -7.734 -4.465 -13.337) 16.050 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 21.521 12.425 -1.804) 24.915 1.756 ( 23.667 13.664 2.335) 27.428 3.208 ( 35.309 20.386 -0.601) 40.776 3.893 ( 0.629 0.363 0.242) 0.766 4.107 ( 10.303 5.949 2.388) 12.135 5.399 ( -3.722 -2.149 4.221) 6.024 6.214 ( 4.175 2.410 1.203) 4.968 6.411 ( -0.657 -0.379 -0.528) 0.924 6.950 ( 6.013 3.472 0.331) 6.951 7.475 ( -6.243 -3.604 -4.071) 8.279 7.983 ( -9.653 -5.573 8.707) 14.144 9.207 ( -9.949 -5.744 -17.367) 20.822 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 19.001 10.970 -6.382) 22.850 2.274 ( 21.623 12.484 -0.388) 24.971 3.832 ( 21.088 12.175 -8.972) 25.951 3.903 ( 0.029 0.017 1.436) 1.437 4.442 ( 17.109 9.878 8.236) 21.404 5.332 ( -3.935 -2.272 7.703) 8.943 6.305 ( 2.437 1.407 3.455) 4.456 6.418 ( 2.503 1.445 -3.240) 4.341 6.987 ( -2.324 -1.342 -0.612) 2.752 7.362 ( -3.715 -2.145 2.870) 5.162 7.796 ( -8.703 -5.025 4.936) 11.196 8.928 ( -8.706 -5.026 -18.049) 20.660 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 15.010 8.666 -8.462) 19.287 2.717 ( 17.698 10.218 -2.414) 20.578 3.903 ( -0.665 -0.384 2.731) 2.837 4.177 ( 13.443 7.761 -5.445) 16.450 4.810 ( 11.261 6.501 1.128) 13.052 5.278 ( -3.690 -2.130 11.651) 12.405 6.339 ( 0.211 0.122 3.172) 3.181 6.504 ( 5.234 3.022 -3.290) 6.881 6.913 ( -3.171 -1.831 3.568) 5.113 7.290 ( -3.744 -2.162 2.860) 5.184 7.628 ( -6.227 -3.595 -2.928) 7.763 8.719 ( -5.040 -2.910 -12.464) 13.756 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 10.231 5.907 -7.523) 14.005 3.048 ( 12.356 7.134 -3.431) 14.674 3.890 ( -1.478 -0.853 3.666) 4.044 4.437 ( 10.878 6.280 -3.269) 12.979 4.931 ( 1.009 0.582 -3.886) 4.057 5.224 ( -5.123 -2.958 12.081) 13.451 6.351 ( 0.074 0.043 2.026) 2.028 6.606 ( 4.292 2.478 -2.234) 5.436 6.884 ( -0.816 -0.471 3.001) 3.145 7.211 ( -4.653 -2.686 4.172) 6.803 7.533 ( 0.448 0.258 -7.028) 7.047 8.606 ( -2.658 -1.535 -5.567) 6.357 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 5.145 2.970 -4.135) 7.238 3.245 ( 5.810 3.354 -2.711) 7.236 3.861 ( -2.053 -1.185 3.225) 4.002 4.630 ( 7.073 4.084 -4.560) 9.354 4.856 ( -5.112 -2.952 -13.174) 14.436 5.172 ( -2.449 -1.414 18.698) 18.911 6.355 ( -0.233 -0.134 1.163) 1.194 6.672 ( 1.969 1.137 -1.271) 2.605 6.870 ( -1.119 -0.646 -2.488) 2.803 7.124 ( -2.683 -1.549 1.595) 3.484 7.589 ( 3.764 2.173 1.111) 4.486 8.555 ( -0.512 -0.296 -1.882) 1.972 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -0.459 -0.265 0.426) 0.680 3.280 ( -2.659 -1.535 0.385) 3.095 3.828 ( -1.115 -0.644 0.332) 1.329 4.627 ( -8.501 -4.908 -7.032) 12.075 4.762 ( 5.587 3.226 -13.437) 14.905 5.223 ( -0.230 -0.133 17.105) 17.107 6.346 ( -0.782 -0.452 0.303) 0.953 6.683 ( -0.796 -0.460 -0.239) 0.950 6.805 ( -2.627 -1.517 -7.890) 8.453 7.130 ( 2.201 1.271 2.284) 3.417 7.651 ( 0.241 0.139 5.881) 5.887 8.589 ( 3.900 2.251 1.389) 4.712 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -7.264 -4.194 4.374) 9.459 3.122 ( -11.745 -6.781 3.420) 13.987 3.819 ( 0.622 0.359 -2.912) 2.999 4.411 ( -7.816 -4.513 -6.064) 10.873 4.866 ( 6.712 3.875 -9.120) 11.969 5.191 ( -8.079 -4.664 8.542) 12.648 6.322 ( -1.269 -0.733 -0.780) 1.660 6.638 ( -3.067 -1.771 0.951) 3.667 6.738 ( 0.294 0.170 -9.240) 9.246 7.205 ( 3.077 1.777 1.848) 4.005 7.657 ( -0.544 -0.314 4.836) 4.876 8.738 ( 7.827 4.519 6.765) 11.289 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -14.726 -8.502 5.895) 17.997 2.786 ( -18.781 -10.843 4.133) 22.077 3.829 ( 1.210 0.699 -4.221) 4.446 4.239 ( -6.931 -4.002 0.075) 8.004 4.843 ( -20.757 -11.984 4.814) 24.447 5.025 ( 6.619 3.821 -12.237) 14.428 6.284 ( -1.696 -0.979 -2.246) 2.980 6.561 ( -3.939 -2.274 2.333) 5.111 6.795 ( 7.343 4.239 -6.737) 10.830 7.252 ( 0.629 0.363 -1.588) 1.746 7.685 ( 2.232 1.289 2.659) 3.703 8.972 ( 9.841 5.682 11.067) 15.862 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -20.776 -11.995 5.364) 24.582 2.318 ( -23.434 -13.530 3.778) 27.322 3.841 ( 1.030 0.595 -4.435) 4.592 3.992 ( -23.242 -13.419 5.773) 27.452 4.317 ( -16.957 -9.790 -3.432) 19.879 5.164 ( 7.437 4.293 -7.565) 11.444 6.227 ( -2.438 -1.407 -3.673) 4.627 6.491 ( -2.867 -1.655 3.474) 4.799 6.974 ( 6.446 3.721 -1.864) 7.673 7.243 ( 2.650 1.530 -7.100) 7.731 7.777 ( 4.972 2.870 1.605) 5.961 9.239 ( 9.976 5.760 11.515) 16.287 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -24.431 -14.105 4.566) 28.577 1.770 ( -25.812 -14.903 3.722) 30.037 3.198 ( -42.088 -24.300 0.179) 48.599 3.845 ( 0.618 0.357 -4.244) 4.304 4.116 ( -5.802 -3.349 1.632) 6.895 5.300 ( 6.257 3.613 -4.359) 8.438 6.152 ( -2.845 -1.642 -3.976) 5.157 6.460 ( -0.998 -0.576 3.487) 3.673 6.926 ( -7.533 -4.349 -1.944) 8.913 7.450 ( 14.761 8.522 -6.578) 18.270 7.907 ( 5.834 3.368 1.323) 6.866 9.483 ( 8.269 4.774 8.524) 12.799 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -26.298 -15.183 5.153) 30.800 1.194 ( -25.890 -14.948 5.066) 30.322 2.187 ( -46.681 -26.952 0.456) 53.905 3.841 ( 0.338 0.195 -3.822) 3.842 3.998 ( -5.249 -3.031 1.775) 6.316 5.416 ( 4.943 2.854 -1.671) 5.947 6.082 ( -2.114 -1.221 -3.367) 4.159 6.462 ( 0.039 0.023 2.860) 2.860 6.719 ( -9.155 -5.286 -2.261) 10.810 7.751 ( 12.760 7.367 -9.723) 17.653 8.043 ( 5.371 3.101 4.563) 7.700 9.659 ( 5.343 3.085 3.381) 7.035 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -0.000 24.779 15.569) 29.264 0.786 ( -0.000 23.795 17.897) 29.774 1.303 ( -0.000 44.273 22.886) 49.839 3.794 ( 0.000 -1.102 -5.177) 5.293 3.883 ( 0.000 5.000 -2.578) 5.625 5.567 ( -0.000 -10.475 5.631) 11.893 6.012 ( 0.000 0.305 -2.840) 2.856 6.502 ( -0.000 0.277 3.146) 3.158 6.510 ( 0.000 6.689 -2.419) 7.113 7.526 ( 0.000 17.398 -37.155) 41.026 8.256 ( -0.000 -1.756 8.479) 8.659 9.651 ( 0.000 2.081 -8.439) 8.692 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 7.192 22.133 13.882) 27.098 1.175 ( 9.921 26.580 8.811) 29.708 2.059 ( 25.785 39.635 13.055) 49.053 3.802 ( 4.157 -0.809 -4.849) 6.438 3.931 ( 0.350 6.101 -2.464) 6.589 5.478 ( -1.352 -6.433 1.940) 6.853 6.060 ( 4.753 0.342 -1.803) 5.095 6.478 ( -2.588 1.186 1.602) 3.267 6.666 ( 7.918 7.232 0.124) 10.724 7.542 ( 2.630 -1.534 -22.149) 22.357 8.222 ( -3.279 -6.534 9.410) 11.916 9.547 ( -8.640 -0.896 -9.888) 13.161 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 13.180 19.349 5.953) 24.157 1.655 ( 13.855 24.888 4.436) 28.828 2.911 ( 28.409 31.365 2.386) 42.386 3.873 ( 4.072 1.181 -2.006) 4.690 4.023 ( 5.568 6.299 0.410) 8.418 5.408 ( -0.941 -5.681 2.313) 6.206 6.150 ( 5.378 1.188 -0.732) 5.556 6.453 ( -2.597 2.015 0.922) 3.414 6.873 ( 7.622 5.062 0.597) 9.169 7.459 ( -0.308 -5.946 -10.618) 12.174 8.089 ( -6.794 -8.686 9.352) 14.459 9.300 ( -12.773 -3.219 -13.865) 19.125 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 14.676 16.088 -1.657) 21.839 2.146 ( 14.885 22.695 2.016) 27.216 3.584 ( 21.615 19.415 -8.003) 30.137 3.921 ( 0.182 2.665 -0.779) 2.782 4.296 ( 15.082 10.083 8.033) 19.841 5.350 ( -0.657 -5.699 4.849) 7.512 6.256 ( 5.420 1.388 0.537) 5.621 6.440 ( -2.141 3.606 -0.227) 4.200 6.976 ( 1.568 -0.595 -1.596) 2.315 7.383 ( -0.494 -3.422 -1.555) 3.791 7.907 ( -8.157 -7.894 8.440) 14.145 8.987 ( -12.273 -4.743 -17.075) 21.556 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 13.672 12.440 -6.418) 19.567 2.601 ( 13.213 20.140 0.047) 24.087 3.935 ( -0.800 2.320 0.498) 2.504 4.002 ( 14.897 10.908 -7.035) 19.759 4.690 ( 13.453 10.009 4.277) 17.305 5.311 ( -0.274 -5.133 8.700) 10.106 6.350 ( 2.873 1.173 3.309) 4.536 6.462 ( 0.863 4.887 -2.622) 5.613 6.941 ( -1.603 -2.743 -0.262) 3.188 7.341 ( -2.199 -1.054 0.696) 2.536 7.717 ( -9.095 -5.719 3.534) 11.310 8.719 ( -6.403 -5.126 -14.398) 16.570 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 11.179 8.793 -7.642) 16.146 2.974 ( 9.368 17.099 -1.593) 19.562 3.935 ( -1.893 1.560 2.404) 3.435 4.304 ( 11.843 8.499 -4.077) 15.136 4.903 ( 3.633 3.377 -2.142) 5.402 5.288 ( -1.596 -4.368 10.554) 11.533 6.392 ( -1.253 2.881 3.513) 4.713 6.547 ( 4.500 3.625 -2.511) 6.300 6.901 ( -0.715 -1.239 0.522) 1.523 7.302 ( -3.974 0.528 5.825) 7.071 7.524 ( -5.545 -3.266 -6.979) 9.493 8.578 ( -0.862 -4.971 -7.018) 8.643 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 7.668 5.345 -6.075) 11.148 3.235 ( 4.218 13.663 -2.289) 14.481 3.915 ( -2.974 0.711 3.541) 4.678 4.533 ( 8.089 6.330 -5.044) 11.443 4.887 ( -4.672 -0.677 -8.688) 9.888 5.253 ( -1.747 -2.765 15.076) 15.426 6.397 ( -2.358 2.703 1.852) 4.037 6.641 ( 3.239 2.568 -1.486) 4.393 6.890 ( -0.769 1.432 -2.052) 2.618 7.197 ( -7.598 -1.640 2.158) 8.067 7.516 ( 5.879 0.682 -0.846) 5.979 8.519 ( 0.992 -4.440 -2.701) 5.291 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 3.316 1.843 -2.821) 4.728 3.361 ( -2.420 9.580 -1.042) 9.935 3.874 ( -3.495 0.296 2.721) 4.439 4.669 ( 4.979 3.810 -6.219) 8.831 4.701 ( -9.006 -3.039 -13.739) 16.706 5.296 ( -0.030 0.958 17.873) 17.898 6.379 ( -2.328 1.005 0.011) 2.535 6.687 ( 0.289 1.179 -0.596) 1.352 6.859 ( -4.898 3.710 -6.136) 8.684 7.122 ( 0.178 -0.075 1.745) 1.756 7.624 ( 4.478 -1.349 5.637) 7.325 8.516 ( 4.190 -2.714 -0.644) 5.033 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -2.338 -2.043 0.921) 3.239 3.314 ( -11.483 3.575 2.238) 12.233 3.838 ( -1.951 1.938 -0.605) 2.816 4.474 ( -8.148 -3.771 -10.339) 13.693 4.765 ( 5.519 3.631 -8.023) 10.393 5.325 ( -5.420 -0.179 13.322) 14.383 6.338 ( -1.877 -1.154 -1.854) 2.880 6.669 ( -2.797 0.108 0.293) 2.814 6.785 ( -4.958 4.901 -6.830) 9.760 7.180 ( 3.147 2.168 1.908) 4.271 7.661 ( 0.681 -2.826 5.340) 6.080 8.622 ( 9.723 -0.739 3.411) 10.330 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -9.914 -6.002 3.510) 12.109 3.062 ( -19.531 -2.270 3.799) 20.026 3.840 ( -0.958 3.956 -3.056) 5.090 4.295 ( -5.637 -3.755 -4.821) 8.314 4.885 ( 7.586 3.754 -7.643) 11.404 5.133 ( -18.714 -5.891 6.193) 20.574 6.289 ( -0.982 -2.039 -2.647) 3.483 6.615 ( -3.789 0.018 1.824) 4.205 6.768 ( -0.412 6.709 -5.870) 8.924 7.246 ( 1.210 1.715 -0.393) 2.136 7.664 ( 1.445 -1.303 2.939) 3.524 8.839 ( 13.186 0.462 7.646) 15.249 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -18.193 -9.234 4.211) 20.832 2.658 ( -24.618 -5.176 3.397) 25.384 3.851 ( -1.279 4.240 -4.294) 6.168 4.161 ( -6.248 -4.711 1.262) 7.926 4.629 ( -30.505 -10.289 0.764) 32.203 5.037 ( 8.606 3.359 -6.404) 11.241 6.244 ( -1.683 -1.238 -2.838) 3.524 6.555 ( -4.191 0.207 2.852) 5.074 6.878 ( 7.110 6.208 -3.631) 10.113 7.241 ( -1.843 1.027 -4.158) 4.662 7.720 ( 4.440 0.657 1.932) 4.887 9.107 ( 13.760 1.011 8.437) 16.173 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -24.624 -11.095 4.030) 27.307 2.173 ( -27.548 -5.099 2.906) 28.166 3.721 ( -34.668 -11.683 -0.490) 36.587 3.872 ( -5.962 3.125 -1.801) 6.968 4.184 ( -7.796 -4.426 -0.013) 8.964 5.192 ( 8.028 2.624 -3.415) 9.110 6.184 ( -3.145 -0.322 -3.049) 4.392 6.505 ( -3.022 0.335 2.950) 4.236 6.982 ( -1.739 -1.420 -1.272) 2.580 7.283 ( 8.966 6.604 -6.457) 12.872 7.831 ( 6.406 1.387 1.849) 6.811 9.361 ( 12.147 0.415 5.511) 13.345 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -27.296 -9.734 4.606) 29.343 1.650 ( -29.853 -4.080 2.993) 30.279 2.852 ( -49.512 -9.785 1.854) 50.503 3.852 ( -1.589 2.832 -3.615) 4.859 4.060 ( -4.874 -3.101 0.709) 5.820 5.334 ( 6.794 2.127 -0.650) 7.149 6.119 ( -3.444 0.827 -2.496) 4.333 6.478 ( -1.203 -0.499 2.237) 2.588 6.843 ( -9.468 -1.696 -1.401) 9.720 7.547 ( 14.325 5.654 -7.975) 17.343 7.970 ( 7.320 1.102 4.376) 8.599 9.549 ( 9.255 -1.524 0.082) 9.380 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.000 25.654 10.530) 27.731 1.384 ( -0.000 26.398 12.425) 29.176 2.328 ( -0.000 47.362 11.309) 48.694 3.733 ( 0.000 -1.011 -6.465) 6.543 3.986 ( 0.000 6.865 -2.618) 7.347 5.422 ( -0.000 -7.564 1.606) 7.733 6.013 ( 0.000 1.950 -2.990) 3.570 6.529 ( -0.000 0.271 3.275) 3.286 6.668 ( 0.000 10.381 -2.377) 10.649 7.422 ( 0.000 -4.326 -18.492) 18.991 8.204 ( -0.000 -9.194 8.862) 12.770 9.589 ( 0.000 -2.139 -8.662) 8.922 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.540 24.329 8.672) 25.953 1.755 ( 7.520 26.668 7.578) 28.725 2.924 ( 12.500 41.125 3.199) 43.102 3.764 ( 6.703 0.489 -4.540) 8.110 4.048 ( 0.541 7.119 -0.965) 7.204 5.355 ( 0.033 -7.267 2.070) 7.556 6.070 ( 4.542 2.194 -1.913) 5.395 6.521 ( -2.057 1.872 1.658) 3.238 6.817 ( 5.469 7.722 -0.925) 9.507 7.327 ( 2.186 -7.967 -11.760) 14.372 8.104 ( -3.163 -10.951 7.704) 13.758 9.440 ( -10.129 -3.316 -9.967) 14.592 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 5.612 21.045 2.613) 21.936 2.191 ( 10.512 26.137 5.210) 28.649 3.470 ( 13.227 24.977 -7.729) 29.301 3.906 ( 5.681 4.020 -3.482) 7.782 4.207 ( 9.600 11.675 6.605) 16.496 5.297 ( 0.471 -7.243 3.877) 8.229 6.176 ( 5.526 2.050 -0.263) 5.900 6.519 ( -1.905 3.989 0.284) 4.429 6.931 ( 2.401 0.659 -2.034) 3.215 7.288 ( 4.828 -5.543 -4.266) 8.499 7.952 ( -4.759 -10.356 6.880) 13.312 9.140 ( -15.501 -4.208 -12.449) 20.322 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 7.544 16.459 -3.036) 18.359 2.639 ( 10.280 25.219 3.678) 27.481 3.844 ( 13.537 13.179 -7.267) 20.242 3.973 ( 0.540 3.468 -2.799) 4.489 4.587 ( 13.346 13.595 4.198) 19.508 5.264 ( 1.557 -6.147 6.824) 9.316 6.289 ( 5.409 1.515 1.908) 5.933 6.536 ( -1.882 6.029 -0.674) 6.352 6.916 ( -0.031 -3.621 -2.304) 4.292 7.319 ( 3.016 -2.115 -1.925) 4.156 7.802 ( -5.423 -7.622 6.508) 11.395 8.789 ( -13.913 -5.189 -13.095) 19.798 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 8.180 12.092 -5.597) 15.635 3.038 ( 7.275 23.190 1.971) 24.384 3.986 ( -0.873 2.702 -0.504) 2.884 4.173 ( 12.963 10.211 -3.265) 16.822 4.854 ( 6.466 5.390 -1.972) 8.646 5.273 ( 1.323 -3.751 7.640) 8.613 6.402 ( 4.707 1.540 4.579) 6.745 6.564 ( -1.615 6.602 -1.812) 7.034 6.879 ( 0.624 -2.750 -1.954) 3.431 7.335 ( 1.492 0.473 -0.712) 1.719 7.632 ( -10.194 -4.321 1.383) 11.157 8.530 ( -4.879 -6.451 -8.124) 11.463 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 7.090 8.283 -5.528) 12.225 3.341 ( 2.932 19.948 0.504) 20.169 3.986 ( -2.253 1.936 1.912) 3.533 4.446 ( 9.119 8.204 -3.063) 12.643 4.926 ( -0.972 2.236 -5.424) 5.947 5.265 ( 0.443 -4.078 8.320) 9.276 6.474 ( -1.328 2.128 3.662) 4.439 6.612 ( 2.304 4.082 -1.570) 4.943 6.883 ( 2.294 0.794 -2.291) 3.338 7.367 ( -9.327 0.622 5.252) 10.722 7.428 ( 1.103 -0.701 -5.909) 6.052 8.427 ( 1.472 -7.004 -2.595) 7.613 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 4.438 4.650 -3.988) 7.565 3.528 ( -1.914 16.212 0.157) 16.325 3.956 ( -3.917 0.987 3.133) 5.112 4.613 ( 4.779 4.992 -4.291) 8.134 4.803 ( -10.169 0.011 -12.448) 16.074 5.327 ( 4.179 0.012 14.127) 14.732 6.435 ( -4.016 -0.033 -0.935) 4.124 6.688 ( 2.081 2.636 0.650) 3.421 6.954 ( 1.531 7.213 -2.991) 7.958 7.165 ( -8.586 -1.701 -1.054) 8.816 7.531 ( 6.252 -0.867 4.362) 7.672 8.400 ( 3.691 -6.319 -1.014) 7.388 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 0.457 0.893 -1.770) 2.035 3.578 ( -9.470 11.046 2.217) 14.718 3.906 ( -3.503 1.632 1.554) 4.165 4.562 ( -10.583 -2.453 -11.226) 15.622 4.704 ( 3.322 4.197 -6.316) 8.279 5.433 ( -0.179 1.965 12.978) 13.127 6.350 ( -3.258 -2.607 -3.578) 5.496 6.728 ( -1.035 2.774 1.600) 3.365 6.951 ( -9.320 7.906 -4.066) 12.880 7.138 ( 4.936 1.360 0.588) 5.153 7.611 ( 3.446 -3.486 5.329) 7.240 8.440 ( 8.421 -5.168 0.676) 9.903 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -5.184 -2.689 0.248) 5.845 3.414 ( -18.996 3.489 4.008) 19.725 3.902 ( -1.435 5.205 -0.777) 5.455 4.345 ( -7.567 -3.167 -7.869) 11.367 4.789 ( 5.025 3.637 -5.978) 8.615 5.390 ( -11.411 -0.871 8.507) 14.260 6.265 ( -1.346 -3.254 -3.582) 5.023 6.716 ( -4.415 3.031 2.187) 5.785 6.869 ( -5.654 5.613 -3.044) 8.529 7.237 ( 2.585 3.739 -1.264) 4.718 7.628 ( 1.581 -2.932 3.147) 4.583 8.599 ( 14.544 -4.078 3.797) 15.574 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -12.705 -5.089 1.167) 13.736 3.061 ( -24.727 -0.830 3.189) 24.946 3.929 ( -2.342 6.657 -2.052) 7.349 4.191 ( -4.409 -4.338 -2.796) 6.788 4.906 ( 6.264 3.145 -6.628) 9.647 5.066 ( -24.961 -4.517 5.706) 26.000 6.228 ( 0.520 -1.601 -1.776) 2.447 6.660 ( -5.726 2.087 2.126) 6.455 6.862 ( 0.239 4.450 -2.442) 5.082 7.275 ( -1.086 2.933 -2.972) 4.315 7.656 ( 3.417 -1.050 1.681) 3.950 8.854 ( 17.067 -2.975 4.246) 17.837 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -20.875 -5.354 1.121) 21.579 2.611 ( -27.202 -2.020 2.134) 27.360 3.919 ( -5.389 5.406 -4.871) 9.055 4.072 ( -5.653 -4.979 1.165) 7.623 4.492 ( -32.800 -3.640 0.916) 33.014 5.071 ( 8.048 2.605 -0.303) 8.464 6.216 ( -1.135 0.297 -0.981) 1.529 6.585 ( -5.040 0.194 1.489) 5.259 6.938 ( 4.637 1.534 -1.403) 5.082 7.264 ( -1.129 3.813 -2.844) 4.889 7.735 ( 5.893 -0.201 1.220) 6.021 9.119 ( 15.911 -2.915 0.874) 16.200 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -26.280 -2.433 1.180) 26.419 2.127 ( -28.578 -1.412 1.287) 28.641 3.583 ( -38.639 -0.419 -2.826) 38.744 3.928 ( -4.940 1.627 0.273) 5.208 4.133 ( -8.282 -0.048 1.195) 8.368 5.233 ( 7.701 2.235 1.907) 8.242 6.186 ( -3.163 1.849 -0.489) 3.696 6.509 ( -3.224 -1.821 0.493) 3.735 6.960 ( -3.644 0.717 -0.711) 3.782 7.361 ( 9.200 3.541 -2.327) 10.129 7.854 ( 7.735 -0.578 2.635) 8.192 9.323 ( 12.763 -4.333 -4.910) 14.345 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -0.000 23.686 5.347) 24.282 1.973 ( -0.000 26.413 8.002) 27.598 3.261 ( -0.000 42.025 0.309) 42.026 3.676 ( 0.000 -0.273 -5.614) 5.621 4.116 ( -0.000 8.272 0.297) 8.278 5.291 ( -0.000 -7.373 3.406) 8.122 6.053 ( 0.000 3.897 -1.967) 4.366 6.556 ( -0.000 0.561 2.266) 2.335 6.850 ( 0.000 8.781 -2.432) 9.111 7.182 ( 0.000 -9.696 -8.107) 12.638 8.040 ( -0.000 -11.788 5.664) 13.078 9.458 ( 0.000 -4.954 -9.165) 10.419 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.636 20.984 1.751) 21.066 2.314 ( 7.054 25.539 5.811) 27.125 3.568 ( 0.199 20.023 -7.385) 21.342 3.803 ( 9.981 9.083 -6.008) 14.772 4.253 ( 3.531 15.148 6.343) 16.798 5.236 ( 0.148 -6.844 5.511) 8.788 6.123 ( 3.611 4.062 -0.584) 5.466 6.568 ( -0.136 1.901 0.761) 2.053 6.909 ( 0.302 0.732 -3.094) 3.193 7.122 ( 5.276 -5.402 -2.865) 8.076 7.924 ( -2.213 -10.664 3.945) 11.584 9.284 ( -10.092 -5.787 -9.841) 15.237 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 1.988 16.632 -2.572) 16.947 2.734 ( 10.285 25.275 5.263) 27.790 3.757 ( 8.436 10.805 -4.740) 14.505 3.957 ( 3.495 4.460 -7.659) 9.527 4.562 ( 8.205 16.975 3.346) 19.148 5.213 ( 1.105 -3.472 8.085) 8.868 6.232 ( 4.479 3.106 1.931) 5.782 6.599 ( 0.437 3.960 -0.828) 4.069 6.870 ( -0.056 -4.178 -2.559) 4.899 7.198 ( 6.748 -2.247 -1.395) 7.248 7.802 ( -2.459 -7.921 3.650) 9.062 8.964 ( -15.823 -6.044 -10.295) 19.821 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 4.217 12.739 -4.532) 14.164 3.161 ( 8.329 24.587 4.751) 26.391 4.005 ( 1.199 3.236 -3.898) 5.206 4.035 ( 13.472 8.587 -1.713) 16.067 4.782 ( 5.792 3.685 -2.406) 7.274 5.265 ( 0.876 3.005 6.693) 7.389 6.346 ( 4.893 1.730 4.914) 7.147 6.648 ( -0.087 5.662 -1.716) 5.917 6.829 ( 0.292 -2.695 -2.710) 3.833 7.271 ( 4.931 -1.396 -2.099) 5.538 7.710 ( -3.260 -4.888 3.333) 6.755 8.605 ( -14.077 -6.283 -8.305) 17.511 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 5.235 9.570 -4.343) 11.741 3.504 ( 3.440 21.605 3.541) 22.162 4.030 ( -0.153 2.254 -0.928) 2.442 4.349 ( 12.224 8.590 -0.211) 14.942 4.879 ( 6.582 -0.775 -1.433) 6.780 5.280 ( -3.831 1.353 0.784) 4.138 6.462 ( 4.895 0.336 5.939) 7.704 6.673 ( -3.355 5.469 -2.305) 6.817 6.823 ( 3.083 -0.749 -3.033) 4.389 7.345 ( 4.904 1.026 -1.371) 5.194 7.577 ( -9.760 -1.753 0.277) 9.920 8.360 ( -4.339 -6.934 -2.984) 8.707 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 4.164 6.480 -3.328) 8.391 3.722 ( -0.828 16.930 2.393) 17.118 4.032 ( -2.199 1.455 1.601) 3.085 4.568 ( 5.649 5.486 -1.630) 8.042 4.943 ( -4.924 4.817 -7.999) 10.557 5.249 ( 5.234 -2.569 6.157) 8.480 6.503 ( -3.226 -0.295 0.597) 3.294 6.673 ( 1.746 2.141 0.886) 2.901 6.903 ( 6.309 1.604 -1.961) 6.799 7.357 ( -10.714 1.761 -4.649) 11.811 7.458 ( 2.867 1.154 4.063) 5.104 8.276 ( 2.019 -7.245 -0.142) 7.522 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 1.445 3.243 -2.164) 4.158 3.829 ( -4.836 12.373 2.552) 13.527 3.991 ( -4.140 0.681 2.310) 4.790 4.650 ( -0.183 -0.471 -0.610) 0.792 4.763 ( -11.928 6.366 -13.552) 19.144 5.423 ( 8.343 1.043 9.138) 12.417 6.394 ( -6.239 -1.771 -2.999) 7.146 6.750 ( 2.642 2.347 2.623) 4.401 7.026 ( 6.998 -2.712 -0.730) 7.540 7.201 ( -9.955 9.672 -2.707) 14.141 7.535 ( 3.719 -1.376 3.708) 5.429 8.263 ( 4.931 -7.209 0.111) 8.734 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -2.497 0.289 -1.215) 2.792 3.761 ( -14.584 3.908 4.027) 15.626 3.974 ( -1.157 4.687 0.937) 4.918 4.461 ( -11.949 -1.215 -6.762) 13.784 4.751 ( 1.670 4.446 -4.751) 6.717 5.528 ( -1.323 0.455 6.108) 6.266 6.271 ( -4.232 -2.173 -2.352) 5.307 6.803 ( -0.965 3.485 1.497) 3.914 6.991 ( -4.126 -3.055 -0.282) 5.142 7.250 ( 0.839 10.135 -2.802) 10.549 7.577 ( 2.367 -2.564 3.057) 4.639 8.328 ( 11.163 -6.400 1.105) 12.915 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -7.807 -1.473 -1.030) 8.012 3.472 ( -22.111 -0.210 2.744) 22.281 4.014 ( -0.457 4.522 0.993) 4.652 4.255 ( -8.911 -0.923 -3.641) 9.670 4.826 ( 4.407 3.252 -2.938) 6.215 5.397 ( -14.854 -2.283 2.336) 15.209 6.212 ( -0.784 -0.301 0.376) 0.920 6.782 ( -5.242 1.777 0.611) 5.569 6.907 ( -2.629 -0.161 -1.247) 2.915 7.318 ( -0.794 5.096 -2.420) 5.697 7.600 ( 2.315 -1.632 1.690) 3.298 8.526 ( 17.213 -4.277 0.856) 17.757 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -14.491 -1.187 -1.881) 14.661 3.056 ( -26.017 -1.552 1.555) 26.110 4.039 ( -0.953 1.603 -0.106) 1.868 4.108 ( -7.575 0.647 -1.186) 7.694 4.912 ( -4.008 1.722 -5.461) 6.990 5.054 ( -15.728 -0.709 6.395) 16.993 6.226 ( 0.565 1.463 1.958) 2.509 6.680 ( -6.318 -1.490 -0.344) 6.500 6.895 ( 1.098 0.840 -1.075) 1.751 7.321 ( -1.878 2.313 -0.812) 3.088 7.646 ( 4.162 -0.862 0.807) 4.327 8.793 ( 17.779 -3.176 -2.883) 18.289 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -20.981 1.609 -2.973) 21.252 2.595 ( -27.176 -0.579 0.608) 27.189 3.985 ( -5.513 -1.750 -1.091) 5.886 3.991 ( -9.182 3.026 -3.836) 10.401 4.510 ( -28.385 3.887 2.797) 28.786 5.136 ( 7.448 2.135 5.358) 9.419 6.249 ( -1.342 2.442 1.960) 3.407 6.555 ( -5.113 -3.024 -1.242) 6.069 6.947 ( 3.954 0.301 -0.616) 4.013 7.318 ( 0.101 1.097 1.900) 2.196 7.728 ( 6.348 -1.284 1.028) 6.558 9.018 ( 14.837 -4.076 -8.739) 17.695 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 0.000 18.245 -1.413) 18.300 2.502 ( -0.000 23.074 2.905) 23.256 3.662 ( 0.000 1.988 -2.092) 2.886 3.821 ( 0.000 17.435 -12.239) 21.302 4.425 ( -0.000 20.854 7.335) 22.106 5.202 ( -0.000 -4.183 8.351) 9.340 6.138 ( 0.000 5.472 -0.346) 5.483 6.579 ( -0.000 0.752 0.511) 0.909 6.864 ( 0.000 -8.419 -1.832) 8.616 7.053 ( 0.000 2.721 -1.662) 3.188 7.855 ( -0.000 -8.763 1.614) 8.910 9.273 ( 0.000 -7.542 -9.307) 11.979 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.534 13.677 -5.062) 14.593 2.804 ( 9.371 21.059 1.586) 23.104 3.721 ( 4.033 5.253 -0.227) 6.626 3.930 ( 2.285 7.560 -9.337) 12.229 4.647 ( 1.884 13.015 2.711) 13.427 5.234 ( 0.426 4.924 10.456) 11.566 6.217 ( 2.538 5.055 1.436) 5.836 6.598 ( 1.400 0.981 -1.031) 1.997 6.791 ( 2.438 -8.127 0.296) 8.490 7.103 ( 2.581 2.004 -1.820) 3.741 7.775 ( -1.378 -5.404 0.689) 5.619 9.081 ( -9.248 -8.341 -9.095) 15.421 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.765 10.157 -5.872) 11.864 3.220 ( 13.660 20.753 2.342) 24.955 3.888 ( 9.290 4.587 -0.598) 10.378 4.000 ( 2.179 4.944 -3.489) 6.431 4.729 ( 1.630 -0.803 -0.259) 1.835 5.363 ( -0.783 12.219 6.367) 13.801 6.315 ( 3.048 2.661 4.834) 6.304 6.636 ( 3.194 0.305 -2.909) 4.331 6.799 ( 2.766 -0.513 -0.425) 2.845 7.157 ( 4.272 -1.196 -1.415) 4.657 7.715 ( -1.684 -2.208 0.906) 2.921 8.764 ( -14.267 -8.069 -7.781) 18.144 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 4.172 8.152 -4.370) 10.146 3.633 ( 8.472 20.028 3.429) 22.015 4.022 ( 3.029 2.216 -4.382) 5.770 4.183 ( 14.460 4.888 3.924) 15.760 4.740 ( 4.238 -4.793 0.015) 6.398 5.423 ( -6.201 8.918 -0.764) 10.888 6.403 ( 3.816 -0.363 6.414) 7.472 6.700 ( 4.666 1.240 -3.296) 5.846 6.822 ( -2.786 4.288 -2.294) 5.604 7.235 ( 7.276 -1.592 -0.557) 7.468 7.664 ( -3.539 -0.880 0.279) 3.657 8.434 ( -12.231 -6.642 -4.226) 14.545 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 4.364 6.168 -2.636) 8.002 3.887 ( 0.877 14.158 3.179) 14.537 4.062 ( 0.588 1.621 -0.947) 1.967 4.499 ( 10.861 6.374 1.184) 12.649 4.837 ( 13.840 -3.409 2.257) 14.431 5.325 ( -11.207 4.664 -5.010) 13.132 6.485 ( 4.596 -1.298 4.403) 6.496 6.740 ( -5.452 2.721 -2.366) 6.536 6.812 ( 3.694 1.175 -1.865) 4.302 7.354 ( 6.664 0.640 -0.805) 6.743 7.563 ( -7.342 0.171 -0.633) 7.372 8.228 ( -4.411 -5.197 -0.151) 6.818 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 2.483 3.735 -1.489) 4.725 3.992 ( -1.787 8.290 2.102) 8.737 4.060 ( -2.239 0.457 1.133) 2.550 4.633 ( 2.181 1.966 -0.348) 2.956 5.026 ( -8.792 8.570 -6.423) 13.856 5.235 ( 11.487 -2.662 3.411) 12.275 6.505 ( -6.283 1.496 -1.269) 6.582 6.688 ( 4.196 -2.592 2.652) 5.599 6.893 ( 4.880 -0.659 -1.581) 5.172 7.411 ( -4.657 5.462 -2.744) 7.684 7.492 ( 1.112 0.168 2.095) 2.378 8.150 ( 0.442 -5.567 0.718) 5.631 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -0.514 1.439 -0.981) 1.816 3.978 ( -7.423 0.440 1.903) 7.675 4.036 ( -1.284 2.684 1.123) 3.180 4.623 ( -5.565 -0.460 -0.670) 5.624 4.847 ( -11.158 7.213 -4.705) 14.095 5.463 ( 10.189 -1.416 1.991) 10.478 6.364 ( -8.386 0.509 -0.239) 8.405 6.796 ( 6.482 -0.383 1.598) 6.687 6.933 ( 2.413 -2.892 -1.839) 4.192 7.384 ( -4.240 7.665 -1.207) 8.842 7.528 ( 1.900 -1.279 1.483) 2.728 8.138 ( 4.573 -4.767 0.472) 6.623 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -4.203 0.264 -1.278) 4.401 3.787 ( -14.998 -2.083 1.031) 15.177 4.038 ( -0.252 -0.667 0.887) 1.138 4.456 ( -12.453 3.325 0.372) 12.894 4.811 ( -0.175 3.368 -0.179) 3.377 5.511 ( -1.812 -3.659 -2.385) 4.729 6.269 ( -4.454 1.995 3.060) 5.760 6.844 ( -0.410 -2.607 -1.347) 2.963 6.923 ( -0.865 1.035 -1.640) 2.123 7.383 ( -2.336 2.499 -0.387) 3.443 7.548 ( 2.405 -2.087 0.714) 3.264 8.245 ( 11.532 -0.996 -0.316) 11.579 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -8.833 0.873 -2.776) 9.300 3.445 ( -21.614 -3.386 0.051) 21.878 4.018 ( 0.080 -3.914 0.998) 4.040 4.315 ( -10.442 6.140 2.231) 12.317 4.875 ( 3.798 2.084 1.659) 4.639 5.334 ( -12.484 -3.506 -3.468) 13.423 6.265 ( -1.390 3.314 5.235) 6.350 6.750 ( -4.953 -3.942 -2.319) 6.742 6.906 ( -1.820 1.226 -1.469) 2.641 7.353 ( -1.283 -1.791 0.844) 2.359 7.579 ( 3.149 -1.217 -0.384) 3.397 8.477 ( 15.335 0.867 -3.690) 15.797 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -14.274 3.260 -5.152) 15.522 3.023 ( -24.152 -1.873 -0.565) 24.231 3.971 ( -0.806 -4.862 1.755) 5.231 4.214 ( -9.954 6.645 -0.519) 11.980 4.913 ( -9.167 1.744 -3.811) 10.079 5.111 ( -4.209 1.063 7.863) 8.982 6.300 ( -0.747 2.947 4.886) 5.754 6.610 ( -5.685 -3.339 -2.544) 7.067 6.894 ( 0.989 -0.802 0.501) 1.368 7.323 ( 0.026 -2.603 1.674) 3.095 7.628 ( 4.252 -1.166 -0.832) 4.487 8.714 ( 13.956 -0.365 -8.909) 16.561 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.000 9.475 -8.205) 12.534 2.881 ( 0.000 14.955 -2.489) 15.161 3.745 ( -0.000 6.375 2.832) 6.975 3.959 ( 0.000 6.650 -5.794) 8.820 4.715 ( -0.000 1.126 2.187) 2.460 5.371 ( -0.000 15.479 9.879) 18.363 6.256 ( -0.000 6.066 1.285) 6.201 6.588 ( 0.000 0.391 -1.391) 1.445 6.670 ( -0.000 -10.069 3.009) 10.509 7.112 ( 0.000 3.630 -2.581) 4.454 7.753 ( 0.000 -1.405 -0.570) 1.516 9.038 ( 0.000 -10.304 -8.602) 13.422 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 0.403 6.180 -8.130) 10.220 3.123 ( 13.976 11.777 -3.216) 18.558 3.850 ( 2.712 7.033 3.216) 8.195 4.011 ( 1.066 4.513 -1.243) 4.801 4.696 ( -0.109 -4.507 1.655) 4.802 5.550 ( -1.702 15.969 5.378) 16.936 6.329 ( 0.997 4.236 3.751) 5.746 6.569 ( 1.291 -2.932 -2.043) 3.799 6.685 ( 7.583 -2.876 1.958) 8.343 7.133 ( -0.415 2.603 -2.270) 3.479 7.744 ( -1.539 2.534 -0.497) 3.006 8.836 ( -7.675 -10.892 -7.525) 15.302 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 3.719 5.239 -5.031) 8.160 3.535 ( 21.456 11.170 -3.005) 24.376 3.972 ( 3.148 5.143 0.658) 6.066 4.082 ( 3.726 1.527 4.550) 6.075 4.659 ( 0.768 -4.259 0.924) 4.425 5.628 ( -5.929 10.692 -0.077) 12.226 6.380 ( 0.877 -0.415 6.143) 6.219 6.603 ( 5.309 -0.016 -3.390) 6.299 6.833 ( 7.976 2.821 -0.061) 8.460 7.135 ( 0.368 -0.191 -0.950) 1.036 7.735 ( -3.703 4.017 -0.484) 5.485 8.549 ( -10.864 -9.185 -4.955) 15.065 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 5.145 4.399 -2.130) 7.096 3.948 ( 10.516 10.582 -2.864) 15.191 4.049 ( 1.511 2.993 -1.099) 3.528 4.265 ( 18.578 -0.554 7.820) 20.164 4.653 ( 2.874 -3.657 0.730) 4.708 5.563 ( -10.542 6.563 -3.438) 12.885 6.411 ( 2.946 -2.254 4.016) 5.467 6.701 ( 5.832 1.192 -1.730) 6.199 6.919 ( -5.139 6.175 -1.934) 8.264 7.190 ( 9.753 -3.075 0.693) 10.250 7.674 ( -6.520 1.785 -1.361) 6.896 8.300 ( -8.393 -4.790 -1.286) 9.749 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 4.070 2.673 -0.527) 4.898 4.071 ( 0.128 3.113 -0.046) 3.116 4.081 ( 0.126 1.121 -0.283) 1.163 4.612 ( 4.873 4.116 0.560) 6.403 4.778 ( 24.348 -4.598 3.385) 25.009 5.392 ( -14.381 4.840 -3.329) 15.535 6.477 ( 6.380 -1.675 1.177) 6.700 6.751 ( -6.845 0.905 -1.385) 7.042 6.838 ( -0.656 1.387 0.511) 1.617 7.358 ( 9.651 0.145 -0.037) 9.652 7.568 ( -5.921 0.754 -1.040) 6.058 8.157 ( -4.949 -2.190 0.314) 5.421 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.693 0.738 0.001) 1.847 4.061 ( -2.767 -0.569 0.117) 2.828 4.069 ( -1.269 -1.179 -0.120) 1.736 4.650 ( 0.348 0.103 0.006) 0.363 5.163 ( -14.787 6.167 0.151) 16.022 5.175 ( 19.111 -4.385 -0.158) 19.608 6.557 ( -11.697 2.989 0.908) 12.107 6.610 ( 9.780 -3.924 -1.159) 10.602 6.892 ( 2.704 1.012 0.316) 2.904 7.477 ( 1.794 1.138 -0.668) 2.227 7.496 ( -1.840 -0.545 0.606) 2.012 8.086 ( -1.174 -0.685 0.000) 1.359 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( -1.003 -0.176 -0.256) 1.050 3.953 ( -8.122 -3.509 -0.483) 8.860 4.025 ( -0.762 -3.603 0.101) 3.684 4.634 ( -3.505 1.252 0.345) 3.737 4.953 ( -12.091 2.847 5.533) 13.598 5.384 ( 9.207 -5.120 -5.590) 11.926 6.411 ( -7.756 2.187 4.081) 9.033 6.735 ( 6.821 -2.766 -4.032) 8.392 6.951 ( 1.557 3.883 -0.209) 4.189 7.413 ( -3.142 -5.626 1.600) 6.639 7.502 ( 0.667 -0.910 -1.228) 1.667 8.131 ( 4.571 4.175 -0.142) 6.192 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -4.127 0.633 -1.642) 4.486 3.706 ( -14.738 -6.124 -1.395) 16.021 3.980 ( -0.161 -4.568 1.253) 4.740 4.556 ( -8.933 4.593 2.664) 10.392 4.879 ( -1.871 1.059 7.534) 7.835 5.366 ( -0.568 -6.503 -9.200) 11.281 6.364 ( -3.552 3.206 6.172) 7.810 6.742 ( -0.069 -3.450 -3.898) 5.206 6.975 ( -3.851 3.417 -1.857) 5.473 7.315 ( 0.625 -9.507 3.522) 10.157 7.514 ( 2.254 0.198 -3.443) 4.120 8.300 ( 8.767 6.174 -1.401) 10.814 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -8.164 2.860 -4.449) 9.727 3.354 ( -18.789 -4.744 -1.838) 19.466 3.939 ( -0.087 -4.627 2.424) 5.224 4.454 ( -10.222 5.769 2.502) 12.001 4.927 ( 2.520 0.384 6.213) 6.715 5.227 ( -4.895 -3.797 -5.786) 8.477 6.369 ( -1.976 1.799 5.953) 6.525 6.661 ( -4.271 -1.950 -2.898) 5.517 6.908 ( -3.379 -0.755 0.298) 3.475 7.272 ( 1.761 -6.700 2.875) 7.501 7.551 ( 2.951 0.553 -4.867) 5.719 8.506 ( 9.867 4.241 -4.801) 11.764 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 0.000 3.045 -8.363) 8.900 3.065 ( 0.000 6.955 -3.548) 7.808 3.918 ( -0.000 7.535 3.617) 8.358 4.038 ( -0.000 2.415 1.223) 2.707 4.655 ( -0.000 -4.845 1.689) 5.131 5.730 ( -0.000 13.251 3.021) 13.591 6.384 ( -0.000 5.501 2.519) 6.050 6.529 ( -0.000 -6.896 4.370) 8.164 6.572 ( 0.000 -0.636 -2.759) 2.831 7.165 ( 0.000 3.501 -2.180) 4.124 7.807 ( 0.000 7.377 -0.460) 7.392 8.759 ( 0.000 -12.652 -6.777) 14.353 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 2.615 2.832 -4.476) 5.907 3.253 ( 16.047 4.862 -2.871) 17.011 4.003 ( 1.118 5.346 1.996) 5.815 4.064 ( 1.098 -0.331 3.502) 3.685 4.622 ( 0.135 -2.711 0.984) 2.888 5.807 ( -3.894 8.044 -0.307) 8.942 6.407 ( -2.375 -0.578 5.105) 5.660 6.514 ( 3.811 0.180 -1.831) 4.232 6.664 ( 10.334 -0.810 0.514) 10.378 7.174 ( -1.885 2.678 -1.644) 3.664 7.864 ( -3.537 9.163 -0.515) 9.836 8.568 ( -5.217 -11.389 -4.654) 13.364 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 5.081 2.842 -0.694) 5.863 3.652 ( 25.464 4.475 -3.547) 26.096 4.063 ( 1.121 2.027 0.335) 2.340 4.102 ( 3.519 -2.605 6.156) 7.554 4.613 ( 0.504 -1.000 0.560) 1.252 5.762 ( -7.514 4.083 -2.318) 8.860 6.375 ( -0.190 -2.621 2.040) 3.327 6.610 ( 5.888 1.519 0.384) 6.093 6.877 ( 13.607 1.260 -0.008) 13.665 7.135 ( -4.506 0.652 -0.684) 4.604 7.830 ( -8.350 4.464 -1.866) 9.651 8.373 ( -6.198 -4.845 -1.139) 7.949 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 5.083 1.336 1.105) 5.370 4.029 ( 8.380 3.399 -6.447) 11.105 4.083 ( 0.712 -1.379 -0.948) 1.819 4.271 ( 24.067 -4.609 8.854) 26.055 4.621 ( 0.768 0.144 0.442) 0.898 5.632 ( -10.302 1.987 -1.479) 10.595 6.374 ( 3.032 -2.418 -0.782) 3.956 6.726 ( 5.412 1.187 1.617) 5.772 7.007 ( -9.983 1.814 0.120) 10.147 7.141 ( 14.663 -0.837 0.242) 14.689 7.690 ( -8.405 0.443 -2.007) 8.652 8.250 ( -6.638 0.480 0.398) 6.667 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 3.560 -0.842 1.479) 3.946 4.045 ( 0.013 -5.608 -2.010) 5.957 4.079 ( -0.153 -0.166 -0.973) 0.998 4.606 ( 7.009 -5.532 0.141) 8.930 4.754 ( 21.110 1.650 0.888) 21.193 5.450 ( -12.633 0.731 2.227) 12.849 6.430 ( 6.723 -2.080 -3.220) 7.739 6.783 ( -7.336 1.762 1.626) 7.718 6.858 ( -0.714 -0.342 2.271) 2.405 7.363 ( 10.095 0.284 0.344) 10.104 7.571 ( -5.690 0.074 -0.760) 5.741 8.150 ( -5.738 1.748 -0.336) 6.008 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 1.835 -2.061 1.280) 3.043 3.959 ( -0.978 -9.435 -1.054) 9.544 4.038 ( -3.206 -1.406 -0.983) 3.636 4.637 ( 2.382 -1.655 0.031) 2.901 5.056 ( 13.126 -5.199 -3.819) 14.626 5.258 ( -10.348 0.748 5.864) 11.918 6.498 ( 2.892 -3.215 -3.137) 5.342 6.664 ( -4.338 3.489 1.762) 5.839 6.929 ( 4.374 1.751 1.731) 5.020 7.447 ( -5.043 -3.630 -1.398) 6.369 7.470 ( 0.649 -1.810 1.818) 2.646 8.135 ( 0.776 5.740 -0.606) 5.824 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 0.037 -1.324 0.504) 1.417 3.800 ( -6.027 -11.372 -0.458) 12.879 3.960 ( -2.489 -2.616 -0.563) 3.654 4.657 ( 0.306 0.577 0.126) 0.665 5.019 ( -7.495 -1.871 9.067) 11.912 5.221 ( 3.585 -5.148 -8.196) 10.321 6.456 ( -2.771 -0.506 1.737) 3.309 6.690 ( 1.877 0.319 -1.743) 2.581 7.037 ( 3.582 3.800 0.220) 5.227 7.243 ( -7.391 -10.252 0.861) 12.668 7.485 ( 1.227 0.237 -0.912) 1.547 8.260 ( 4.766 7.986 -0.091) 9.301 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -2.769 0.927 -1.708) 3.383 3.541 ( -11.434 -9.013 -1.341) 14.621 3.906 ( -0.481 -3.720 1.494) 4.038 4.644 ( -4.547 3.176 0.275) 5.553 4.952 ( -2.598 -0.661 11.025) 11.346 5.162 ( 1.133 -6.451 -10.120) 12.055 6.421 ( -1.798 -1.219 2.602) 3.389 6.691 ( -1.166 0.002 -1.336) 1.773 6.995 ( -7.964 -1.781 -0.383) 8.170 7.150 ( 4.933 -6.563 1.847) 8.415 7.520 ( 1.474 2.872 -2.934) 4.363 8.421 ( 5.614 6.304 -1.041) 8.505 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 0.000 2.616 -1.123) 2.846 3.141 ( 0.000 2.878 -0.744) 2.972 4.035 ( -0.000 2.247 0.322) 2.270 4.057 ( -0.000 -1.594 3.403) 3.758 4.606 ( -0.000 -1.029 0.787) 1.296 5.897 ( 0.000 3.757 -1.982) 4.248 6.455 ( -0.000 -3.493 3.662) 5.061 6.488 ( -0.000 2.028 1.006) 2.264 6.535 ( 0.000 -0.138 -1.077) 1.085 7.210 ( 0.000 2.104 -1.402) 2.529 7.994 ( 0.000 8.991 -1.373) 9.095 8.492 ( 0.000 -8.611 -2.347) 8.925 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 2.864 2.857 2.642) 4.832 3.306 ( 16.293 1.681 0.445) 16.385 4.045 ( 0.883 -1.448 -1.261) 2.113 4.062 ( 1.201 -1.690 3.409) 3.990 4.605 ( 0.193 -0.092 0.753) 0.783 5.870 ( -3.798 -0.089 -3.396) 5.096 6.379 ( -3.067 -2.564 -0.076) 3.998 6.542 ( 4.390 0.888 2.487) 5.123 6.658 ( 10.857 0.024 0.345) 10.862 7.204 ( -2.226 1.005 -0.715) 2.545 7.977 ( -5.826 -0.885 -3.587) 6.899 8.433 ( -3.200 2.966 1.451) 4.598 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 3.914 0.813 3.909) 5.590 3.681 ( 25.006 -0.623 -1.201) 25.043 4.031 ( 1.524 -3.784 -2.997) 5.062 4.087 ( 2.638 -2.420 5.531) 6.588 4.617 ( 0.588 0.858 0.900) 1.375 5.760 ( -5.921 -2.928 -2.606) 7.101 6.323 ( -0.218 -2.111 -2.395) 3.200 6.650 ( 5.546 0.762 3.700) 6.711 6.875 ( 14.432 -1.433 -0.157) 14.504 7.148 ( -4.913 0.826 0.498) 5.007 7.812 ( -7.527 -3.898 -3.204) 9.061 8.410 ( -7.586 7.676 2.057) 10.986 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 3.717 -2.361 3.536) 5.647 3.911 ( 6.500 -12.380 -4.629) 14.729 4.060 ( 2.792 1.410 -3.566) 4.743 4.227 ( 18.931 -4.432 6.025) 20.355 4.662 ( 2.715 3.327 1.485) 4.544 5.604 ( -7.185 -5.050 0.572) 8.801 6.319 ( 3.076 -1.128 -4.437) 5.515 6.759 ( 5.157 0.198 3.365) 6.161 6.958 ( -3.899 -5.589 1.704) 7.024 7.192 ( 9.582 3.947 0.860) 10.399 7.665 ( -5.612 -1.133 -2.024) 6.073 8.327 ( -10.622 6.581 1.134) 12.547 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 3.414 -4.552 2.932) 6.401 3.826 ( 2.421 -14.925 -2.657) 15.351 4.061 ( -1.399 -0.951 -0.952) 1.942 4.472 ( 13.056 -6.809 -1.208) 14.774 4.810 ( 9.340 3.631 -0.376) 10.028 5.431 ( -7.995 -5.444 5.000) 10.889 6.371 ( 5.622 -0.520 -6.144) 8.344 6.797 ( -5.753 -2.684 2.958) 7.004 6.868 ( 3.239 -0.263 3.262) 4.605 7.371 ( 6.642 -0.156 0.788) 6.691 7.564 ( -6.434 0.004 -0.545) 6.457 8.235 ( -6.376 7.214 0.500) 9.641 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 3.367 -4.275 2.687) 6.069 3.698 ( 1.062 -16.296 0.059) 16.331 3.995 ( -3.761 -1.935 -1.763) 4.583 4.575 ( 7.439 -4.556 -0.996) 8.779 4.953 ( 5.886 -1.093 -6.587) 8.901 5.275 ( -7.446 -3.678 8.245) 11.702 6.428 ( 3.456 -1.036 -6.070) 7.061 6.704 ( -2.672 -1.403 3.528) 4.643 6.952 ( 5.298 -1.545 2.506) 6.061 7.352 ( -8.568 -3.673 -3.574) 9.984 7.476 ( -0.904 0.982 3.952) 4.171 8.287 ( 1.507 9.360 1.002) 9.533 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -0.000 3.458 6.548) 7.404 3.174 ( -0.000 -0.272 2.403) 2.419 3.998 ( 0.000 -4.827 -3.235) 5.811 4.052 ( -0.000 -0.747 3.127) 3.215 4.608 ( -0.000 0.522 0.963) 1.095 5.862 ( 0.000 -4.911 -5.438) 7.327 6.436 ( 0.000 -3.492 -2.810) 4.482 6.441 ( -0.000 0.009 2.369) 2.369 6.589 ( -0.000 1.801 2.974) 3.477 7.225 ( 0.000 -0.041 -0.065) 0.076 7.959 ( 0.000 -8.379 -4.115) 9.335 8.556 ( -0.000 12.522 3.178) 12.919 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.486 0.690 7.174) 7.224 3.311 ( 15.542 -3.190 2.488) 16.060 3.939 ( 1.568 -6.578 -3.954) 7.834 4.064 ( 0.737 -0.496 3.892) 3.993 4.625 ( 0.333 1.815 1.208) 2.205 5.751 ( -1.951 -9.517 -5.840) 11.335 6.327 ( -3.410 -1.886 -2.411) 4.582 6.567 ( 7.385 0.157 3.378) 8.122 6.665 ( 7.437 0.007 0.353) 7.445 7.205 ( -1.861 -0.820 1.140) 2.331 7.833 ( -3.262 -7.147 -3.008) 8.413 8.651 ( -6.030 13.700 2.852) 15.237 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 1.442 -3.951 5.609) 7.011 3.539 ( 16.611 -13.805 -2.632) 21.758 3.941 ( 7.194 -2.065 -2.747) 7.972 4.091 ( 1.539 -1.292 6.058) 6.382 4.670 ( 1.327 3.931 1.934) 4.577 5.588 ( -1.865 -12.936 -3.927) 13.647 6.272 ( -0.223 -0.845 -3.910) 4.006 6.684 ( 5.038 0.000 4.101) 6.497 6.826 ( 10.315 -2.705 -0.528) 10.676 7.175 ( -0.710 0.839 2.591) 2.815 7.714 ( -3.654 -2.880 -2.214) 5.152 8.627 ( -12.207 11.672 2.261) 17.040 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 2.893 -7.522 4.138) 9.059 3.548 ( 8.405 -20.621 -4.411) 22.701 4.055 ( 2.501 0.150 -2.249) 3.367 4.172 ( 11.538 -4.798 3.815) 13.065 4.767 ( 3.530 5.708 2.489) 7.158 5.425 ( -0.909 -13.356 -0.565) 13.399 6.276 ( 2.879 0.156 -5.421) 6.140 6.764 ( 3.687 -2.656 2.436) 5.156 6.869 ( -0.295 -3.387 2.213) 4.057 7.266 ( 6.641 2.251 2.362) 7.399 7.640 ( -3.136 0.305 -1.909) 3.684 8.508 ( -13.988 10.258 2.580) 17.537 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 5.172 -8.072 4.018) 10.394 3.452 ( 6.213 -20.947 -1.412) 21.895 4.028 ( -2.856 -1.847 -0.922) 3.524 4.334 ( 12.236 -6.266 -1.558) 13.835 4.887 ( 3.160 4.238 -0.708) 5.334 5.302 ( -0.323 -10.289 2.727) 10.650 6.326 ( 4.590 0.409 -6.671) 8.108 6.725 ( -2.060 -6.216 2.618) 7.052 6.885 ( 2.340 -0.160 2.628) 3.522 7.357 ( 1.409 -1.443 -0.067) 2.018 7.577 ( -5.100 1.636 0.089) 5.357 8.437 ( -6.885 11.351 4.191) 13.922 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -0.000 -1.986 8.073) 8.314 3.135 ( -0.000 -6.885 2.951) 7.491 3.839 ( 0.000 -7.389 -3.692) 8.260 4.071 ( -0.000 -0.051 4.822) 4.823 4.652 ( -0.000 3.460 1.501) 3.772 5.611 ( 0.000 -16.393 -8.427) 18.432 6.341 ( 0.000 -4.499 -1.640) 4.789 6.494 ( -0.000 4.636 1.087) 4.762 6.619 ( -0.000 -0.391 1.815) 1.856 7.212 ( -0.000 -1.880 2.003) 2.747 7.788 ( 0.000 -5.120 -2.011) 5.501 8.857 ( -0.000 14.712 2.426) 14.911 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -1.291 -7.485 5.831) 9.576 3.151 ( 10.861 -14.951 -0.724) 18.494 3.802 ( 4.356 -4.209 -1.095) 6.155 4.092 ( 0.295 -0.401 6.342) 6.361 4.703 ( 0.722 4.314 2.635) 5.107 5.402 ( 0.980 -20.579 -8.863) 22.428 6.270 ( -1.779 -2.546 -1.704) 3.543 6.623 ( 4.663 2.607 3.366) 6.314 6.658 ( 6.633 0.837 -1.039) 6.765 7.192 ( -0.538 -2.013 2.994) 3.648 7.732 ( -1.953 -1.301 -1.461) 2.764 8.936 ( -7.887 13.276 1.866) 15.555 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.912 -11.893 3.720) 12.495 3.144 ( 11.105 -22.603 -4.523) 25.586 3.899 ( 9.571 -2.054 0.884) 9.829 4.105 ( -0.271 -1.877 5.470) 5.790 4.779 ( 2.785 2.260 4.740) 5.944 5.214 ( 3.614 -18.621 -7.870) 20.537 6.236 ( 0.485 -0.641 -2.477) 2.604 6.679 ( 3.564 -3.045 0.706) 4.741 6.815 ( 5.119 2.591 1.598) 5.956 7.209 ( 3.415 0.326 3.274) 4.742 7.689 ( -2.723 1.693 -1.519) 3.548 8.872 ( -13.999 11.518 2.438) 18.292 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( 5.234 -13.301 3.432) 14.700 3.079 ( 10.343 -23.986 -2.978) 26.290 4.036 ( 3.761 -1.491 0.402) 4.066 4.090 ( 5.298 -5.647 2.350) 8.092 4.859 ( 5.565 -4.579 4.970) 8.754 5.123 ( 4.605 -9.308 -7.024) 12.537 6.255 ( 2.585 0.781 -3.593) 4.494 6.674 ( 0.710 -6.432 0.792) 6.520 6.879 ( 0.569 1.943 1.965) 2.821 7.309 ( 4.287 0.745 1.506) 4.605 7.659 ( -3.192 2.930 -1.664) 4.641 8.750 ( -13.516 11.453 5.432) 18.531 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -0.000 -13.666 3.208) 14.038 2.891 ( 0.000 -18.824 -1.581) 18.890 3.728 ( -0.000 -2.426 1.277) 2.741 4.107 ( -0.000 -1.297 7.672) 7.781 4.724 ( -0.000 -3.268 3.921) 5.104 5.148 ( 0.000 -18.404 -11.565) 21.736 6.245 ( -0.000 -4.715 0.212) 4.720 6.601 ( 0.000 -1.916 -0.164) 1.923 6.654 ( -0.000 10.898 1.578) 11.012 7.177 ( -0.000 -3.706 3.320) 4.976 7.747 ( 0.000 1.685 -1.106) 2.015 9.139 ( -0.000 12.719 0.907) 12.751 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -0.100 -18.079 1.013) 18.108 2.739 ( 7.243 -23.974 -4.253) 25.403 3.764 ( 4.807 -1.243 3.717) 6.202 4.107 ( -0.097 -4.030 6.528) 7.672 4.628 ( 4.971 -24.360 0.729) 24.873 5.041 ( 0.674 1.409 -6.834) 7.010 6.208 ( 0.614 -3.290 0.623) 3.404 6.598 ( 2.228 -2.642 -1.193) 3.656 6.811 ( 3.165 10.702 2.466) 11.429 7.162 ( 1.943 -3.188 3.596) 5.184 7.755 ( -1.966 4.162 -1.366) 4.801 9.186 ( -8.400 11.291 0.794) 14.095 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 4.135 -20.123 0.335) 20.546 2.640 ( 11.025 -25.249 -3.597) 27.785 3.866 ( 8.048 -4.320 5.579) 10.703 4.066 ( -0.759 -5.780 2.348) 6.285 4.507 ( 12.344 -27.406 -1.983) 30.123 5.087 ( -0.036 7.703 -3.403) 8.421 6.211 ( 2.162 -1.136 0.005) 2.442 6.598 ( 1.634 -4.482 -0.980) 4.870 6.920 ( -0.437 5.084 2.143) 5.534 7.237 ( 5.701 1.511 2.462) 6.391 7.750 ( -3.475 5.272 -1.751) 6.553 9.106 ( -13.046 10.377 3.339) 17.001 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 -22.947 -1.617) 23.004 2.414 ( 0.000 -26.486 -5.154) 26.983 3.740 ( -0.000 0.619 5.007) 5.045 4.013 ( -0.000 -22.965 4.735) 23.448 4.312 ( 0.000 -21.093 -3.010) 21.307 5.090 ( 0.000 8.773 -1.307) 8.870 6.165 ( -0.000 -4.200 2.312) 4.794 6.550 ( 0.000 -2.151 -2.252) 3.115 6.918 ( -0.000 11.391 3.225) 11.839 7.120 ( -0.000 -2.325 4.747) 5.285 7.818 ( 0.000 6.142 -2.058) 6.477 9.365 ( 0.000 10.364 -0.701) 10.388 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 1.792 -26.151 -3.577) 26.456 2.208 ( 8.238 -26.627 -4.066) 28.167 3.695 ( 3.878 -26.979 4.419) 27.613 3.862 ( 9.139 -11.755 0.562) 14.900 4.188 ( 0.406 -8.803 -0.777) 8.847 5.173 ( -0.568 8.899 0.082) 8.917 6.156 ( 2.152 -3.067 2.517) 4.514 6.533 ( 1.131 -2.447 -2.548) 3.709 6.965 ( -0.058 -2.105 2.159) 3.016 7.218 ( 3.002 10.462 6.166) 12.510 7.855 ( -2.357 6.973 -2.851) 7.893 9.389 ( -7.730 9.221 0.050) 12.033 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.000 -27.854 -4.368) 28.195 1.821 ( 0.000 -29.542 -6.186) 30.183 3.211 ( 0.000 -48.939 -2.356) 48.995 3.795 ( -0.000 0.970 5.491) 5.576 4.127 ( 0.000 -6.066 -0.293) 6.073 5.267 ( -0.000 8.155 1.771) 8.345 6.113 ( -0.000 -3.306 3.749) 4.998 6.496 ( 0.000 -1.223 -3.473) 3.682 6.903 ( -0.000 -9.089 2.526) 9.433 7.368 ( -0.000 16.544 9.213) 18.936 7.936 ( 0.000 7.549 -4.158) 8.618 9.537 ( 0.000 8.197 -2.115) 8.465 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -0.000 0.000 26.992) 26.992 0.567 ( -0.000 0.000 26.992) 26.992 0.915 ( -0.000 0.000 43.876) 43.876 3.804 ( 0.000 -0.000 -4.679) 4.679 3.804 ( 0.000 -0.000 -4.679) 4.679 6.015 ( 0.000 -0.000 -2.099) 2.099 6.015 ( 0.000 -0.000 -2.099) 2.099 6.474 ( 0.000 -0.000 -16.529) 16.529 6.501 ( -0.000 0.000 2.919) 2.919 6.501 ( -0.000 0.000 2.919) 2.919 8.278 ( -0.000 0.000 9.903) 9.903 9.596 ( 0.000 -0.000 -1.484) 1.484 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 15.289 8.827 18.410) 25.506 0.858 ( 12.833 7.409 22.911) 27.285 1.517 ( 34.230 19.762 24.603) 46.557 3.800 ( 2.764 1.596 -5.421) 6.291 3.825 ( 1.765 1.019 -4.039) 4.524 5.605 ( -9.127 -5.269 2.820) 10.910 6.051 ( 2.538 1.465 -1.623) 3.350 6.483 ( -1.529 -0.883 2.735) 3.255 6.551 ( 8.102 4.678 -0.109) 9.356 7.290 ( 24.108 13.919 -35.750) 45.309 8.316 ( -1.115 -0.644 9.008) 9.099 9.542 ( -5.067 -2.925 -6.555) 8.786 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 16.753 9.672 12.060) 22.795 1.286 ( 20.605 11.896 10.135) 25.861 2.401 ( 37.006 21.366 8.845) 43.637 3.854 ( 1.818 1.050 -3.216) 3.841 3.904 ( 7.801 4.504 -1.792) 9.185 5.488 ( -3.355 -1.937 0.397) 3.895 6.118 ( 3.814 2.202 -1.504) 4.654 6.452 ( -1.893 -1.093 2.528) 3.342 6.769 ( 9.849 5.686 1.516) 11.473 7.451 ( 3.207 1.852 -19.392) 19.743 8.253 ( -7.027 -4.057 9.775) 12.704 9.331 ( -10.246 -5.916 -12.596) 17.281 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 17.754 10.251 2.150) 20.613 1.794 ( 21.614 12.479 5.001) 25.453 3.186 ( 30.624 17.681 -3.819) 35.567 3.883 ( 1.527 0.882 -2.071) 2.720 4.152 ( 13.603 7.854 6.389) 16.958 5.431 ( -2.166 -1.250 2.026) 3.219 6.213 ( 4.960 2.863 -1.476) 5.914 6.419 ( -1.640 -0.947 2.111) 2.836 6.949 ( 4.783 2.762 -0.468) 5.543 7.417 ( -1.079 -0.623 -7.022) 7.131 8.087 ( -10.372 -5.988 11.552) 16.640 9.024 ( -11.400 -6.582 -18.364) 22.595 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 16.851 9.729 -4.650) 20.006 2.280 ( 20.128 11.621 1.457) 23.287 3.741 ( 20.999 12.124 -8.740) 25.775 3.908 ( 1.010 0.583 -0.493) 1.266 4.529 ( 15.695 9.062 8.583) 20.053 5.401 ( -1.701 -0.982 5.828) 6.150 6.326 ( 4.895 2.826 -0.023) 5.652 6.399 ( -0.138 -0.080 0.213) 0.266 6.975 ( -1.208 -0.697 -1.700) 2.199 7.369 ( -2.171 -1.253 -1.309) 2.828 7.870 ( -12.250 -7.072 9.316) 16.937 8.743 ( -6.901 -3.984 -17.907) 19.600 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 14.477 8.358 -7.768) 18.433 2.699 ( 16.668 9.623 -1.055) 19.275 3.924 ( 0.252 0.145 1.411) 1.440 4.116 ( 15.050 8.689 -6.335) 18.497 4.827 ( 7.854 4.534 2.058) 9.299 5.387 ( -2.244 -1.295 9.725) 10.064 6.373 ( -0.399 -0.231 3.431) 3.462 6.469 ( 5.752 3.321 -3.532) 7.523 6.931 ( -1.906 -1.100 -0.108) 2.203 7.324 ( -1.326 -0.765 3.251) 3.593 7.600 ( -11.674 -6.740 -2.466) 13.703 8.606 ( -1.812 -1.046 -9.241) 9.475 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 11.096 6.406 -7.732) 14.964 3.017 ( 11.926 6.885 -2.618) 14.017 3.925 ( -0.960 -0.554 3.207) 3.393 4.387 ( 10.728 6.194 -6.239) 13.870 4.887 ( -1.847 -1.066 -4.365) 4.858 5.357 ( -3.301 -1.906 13.399) 13.931 6.374 ( -0.375 -0.217 2.524) 2.561 6.581 ( 4.745 2.740 -2.707) 6.112 6.888 ( -1.777 -1.026 -1.919) 2.809 7.264 ( -7.867 -4.542 4.769) 10.259 7.472 ( 4.645 2.682 -3.720) 6.527 8.559 ( -1.058 -0.611 -3.609) 3.810 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 7.009 4.046 -5.476) 9.772 3.216 ( 6.391 3.690 -2.947) 7.946 3.898 ( -2.556 -1.476 4.005) 4.975 4.550 ( 5.952 3.437 -11.288) 13.216 4.749 ( -6.912 -3.990 -7.222) 10.763 5.361 ( -1.057 -0.610 18.076) 18.118 6.370 ( -0.680 -0.392 1.826) 1.988 6.656 ( 2.479 1.431 -1.941) 3.459 6.823 ( -3.065 -1.769 -6.387) 7.301 7.140 ( -2.414 -1.394 1.231) 3.047 7.626 ( 5.915 3.415 6.052) 9.125 8.535 ( 0.399 0.230 -2.012) 2.064 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 1.817 1.049 -1.848) 2.796 3.276 ( -0.844 -0.487 -1.177) 1.528 3.842 ( -3.028 -1.748 2.376) 4.227 4.494 ( -5.415 -3.126 -16.582) 17.721 4.688 ( 3.204 1.850 -3.369) 5.004 5.394 ( -2.479 -1.431 16.353) 16.602 6.353 ( -1.310 -0.756 1.004) 1.816 6.677 ( -0.194 -0.112 -0.987) 1.012 6.716 ( -3.361 -1.940 -9.211) 9.995 7.156 ( 2.340 1.351 2.793) 3.886 7.716 ( -0.160 -0.092 6.719) 6.721 8.600 ( 6.038 3.486 0.863) 7.025 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -5.596 -3.231 1.628) 6.663 3.151 ( -10.485 -6.053 2.237) 12.312 3.796 ( -0.928 -0.535 -1.459) 1.810 4.330 ( -4.542 -2.622 -9.460) 10.816 4.781 ( 6.430 3.712 -7.390) 10.475 5.293 ( -11.998 -6.927 11.005) 17.693 6.317 ( -1.951 -1.126 -0.123) 2.256 6.644 ( -2.364 -1.365 0.230) 2.739 6.647 ( 0.873 0.504 -8.362) 8.423 7.222 ( 2.083 1.202 1.450) 2.808 7.700 ( -1.537 -0.888 3.777) 4.173 8.802 ( 10.149 5.859 5.555) 12.969 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -14.143 -8.166 3.189) 16.640 2.828 ( -18.587 -10.731 4.107) 21.852 3.787 ( 0.690 0.398 -4.045) 4.122 4.223 ( -3.588 -2.071 -3.112) 5.182 4.868 ( -16.309 -9.416 -5.653) 19.662 4.949 ( -0.786 -0.454 3.112) 3.242 6.264 ( -2.519 -1.454 -1.633) 3.336 6.582 ( -3.189 -1.841 1.679) 4.047 6.731 ( 8.606 4.969 -5.747) 11.480 7.234 ( -1.258 -0.727 -2.149) 2.594 7.711 ( 1.861 1.075 2.336) 3.174 9.068 ( 10.965 6.331 7.720) 14.829 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -20.650 -11.922 3.502) 24.100 2.362 ( -23.506 -13.571 4.839) 27.570 3.792 ( 0.999 0.577 -5.110) 5.238 4.030 ( -23.133 -13.356 1.379) 26.747 4.299 ( -16.760 -9.676 -0.261) 19.354 5.104 ( 8.173 4.718 -3.993) 10.247 6.193 ( -3.011 -1.738 -3.103) 4.660 6.524 ( -2.424 -1.399 2.956) 4.071 6.950 ( 8.727 5.038 -2.910) 10.489 7.175 ( 0.098 0.057 -6.157) 6.158 7.797 ( 4.834 2.791 2.175) 5.991 9.330 ( 9.730 5.618 6.293) 12.878 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.000 19.619 20.057) 28.057 0.981 ( -0.000 19.078 19.970) 27.619 1.564 ( -0.000 33.454 27.421) 43.256 3.734 ( 0.000 -1.462 -6.567) 6.727 3.847 ( 0.000 5.729 -4.483) 7.274 5.613 ( -0.000 -13.462 3.037) 13.800 5.984 ( 0.000 0.034 -2.609) 2.610 6.485 ( 0.000 6.797 -2.614) 7.282 6.535 ( -0.000 0.366 3.326) 3.347 7.177 ( 0.000 26.243 -30.569) 40.288 8.348 ( -0.000 -1.759 9.469) 9.631 9.574 ( 0.000 -0.327 -6.708) 6.716 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 5.449 17.770 17.664) 25.641 1.286 ( 6.661 23.526 13.072) 27.726 2.195 ( 21.475 33.922 12.925) 42.177 3.750 ( 5.668 -0.720 -5.328) 7.813 3.901 ( 0.961 7.029 -3.215) 7.789 5.490 ( -1.887 -6.426 0.217) 6.701 6.041 ( 5.451 0.173 -1.869) 5.765 6.495 ( -2.489 1.056 1.588) 3.136 6.672 ( 8.848 6.722 0.908) 11.150 7.315 ( 5.783 5.326 -22.129) 23.484 8.316 ( -3.081 -6.442 9.142) 11.600 9.446 ( -10.157 -1.887 -9.862) 14.282 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 8.579 16.555 9.548) 20.949 1.716 ( 11.947 23.427 7.517) 27.351 2.918 ( 24.194 27.073 -1.301) 36.331 3.844 ( 4.842 1.459 -3.800) 6.326 4.043 ( 9.035 8.188 3.737) 12.753 5.423 ( -0.263 -4.544 0.551) 4.585 6.139 ( 5.665 1.570 -1.452) 6.055 6.467 ( -2.556 1.193 1.666) 3.276 6.878 ( 7.076 4.034 0.373) 8.154 7.345 ( 3.838 -1.781 -11.534) 12.286 8.188 ( -6.037 -9.474 10.153) 15.142 9.155 ( -15.499 -3.065 -14.496) 21.441 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 10.880 14.624 0.557) 18.236 2.177 ( 13.215 22.248 4.138) 26.205 3.499 ( 20.443 18.005 -8.515) 28.541 3.902 ( 1.482 2.640 -2.974) 4.244 4.384 ( 15.681 9.937 8.872) 20.575 5.392 ( 0.924 -4.255 3.344) 5.489 6.253 ( 5.894 2.477 -1.056) 6.480 6.447 ( -2.509 2.529 1.355) 3.811 6.956 ( 1.319 -1.035 -2.314) 2.857 7.353 ( 1.775 -1.869 -4.074) 4.821 8.011 ( -8.386 -9.734 11.824) 17.461 8.810 ( -13.405 -3.010 -17.657) 22.372 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 11.618 12.138 -4.882) 17.497 2.609 ( 11.586 20.260 1.552) 23.391 3.919 ( 10.653 8.078 -5.070) 14.298 3.944 ( 6.072 6.714 -2.825) 9.483 4.732 ( 11.039 6.766 3.925) 13.529 5.391 ( 1.497 -4.179 7.063) 8.342 6.374 ( 5.193 2.307 0.890) 5.751 6.445 ( -1.596 4.486 -0.283) 4.770 6.930 ( -0.474 -2.578 -1.873) 3.221 7.334 ( -0.176 -0.764 -1.935) 2.087 7.764 ( -14.168 -8.103 5.362) 17.179 8.585 ( -3.479 -2.678 -11.380) 12.197 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 10.624 9.385 -6.743) 15.697 2.964 ( 8.004 17.535 -0.418) 19.280 3.954 ( -0.574 1.721 1.344) 2.258 4.254 ( 11.696 9.453 -5.608) 16.050 4.883 ( 1.618 1.218 -1.959) 2.817 5.391 ( 0.244 -4.608 9.659) 10.705 6.426 ( -2.210 3.103 3.167) 4.954 6.521 ( 4.852 4.280 -2.521) 6.944 6.891 ( -0.646 -1.845 -2.218) 2.956 7.370 ( 2.713 1.869 6.087) 6.922 7.450 ( -12.351 -4.885 -6.174) 14.647 8.522 ( 1.042 -3.596 -3.751) 5.299 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 8.263 6.418 -6.292) 12.209 3.215 ( 3.446 14.462 -1.597) 14.952 3.951 ( -2.338 0.688 3.361) 4.152 4.464 ( 6.308 6.712 -8.303) 12.401 4.807 ( -6.615 -2.788 -6.958) 9.997 5.406 ( 1.386 -2.417 14.671) 14.933 6.415 ( -2.864 1.924 1.736) 3.862 6.624 ( 3.233 3.452 -1.788) 5.057 6.856 ( -2.251 1.193 -4.442) 5.120 7.201 ( -7.720 -2.492 -1.357) 8.225 7.541 ( 8.801 2.010 5.707) 10.680 8.496 ( 1.311 -3.874 -1.893) 4.506 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 4.836 2.985 -4.407) 7.191 3.349 ( -2.067 11.131 -1.333) 11.400 3.907 ( -4.252 -0.435 3.803) 5.721 4.505 ( -3.825 2.028 -17.224) 17.760 4.667 ( -1.113 -1.148 -1.619) 2.275 5.468 ( 0.036 -0.322 15.891) 15.894 6.379 ( -2.412 -0.812 -0.002) 2.545 6.679 ( 0.312 2.277 -0.957) 2.490 6.789 ( -6.247 4.496 -7.301) 10.608 7.141 ( 1.193 -0.059 1.875) 2.223 7.693 ( 4.766 -1.781 7.595) 9.142 8.507 ( 5.290 -1.880 -1.144) 5.730 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -0.405 -1.298 -1.810) 2.264 3.332 ( -10.466 5.525 1.276) 11.904 3.842 ( -3.794 0.677 1.292) 4.065 4.352 ( -5.449 -1.304 -12.988) 14.145 4.704 ( 3.851 2.594 -4.435) 6.421 5.457 ( -7.254 -2.220 12.653) 14.753 6.321 ( -1.514 -3.143 -1.445) 3.776 6.669 ( -3.541 2.354 -0.336) 4.265 6.718 ( -4.640 5.762 -6.069) 9.569 7.199 ( 2.893 1.132 1.625) 3.506 7.712 ( -0.446 -3.765 4.766) 6.090 8.652 ( 12.038 0.229 2.483) 12.293 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -8.396 -5.870 0.308) 10.249 3.101 ( -19.334 -1.854 3.673) 19.767 3.813 ( -2.310 3.713 -2.066) 4.836 4.235 ( -2.716 -1.858 -6.765) 7.522 4.807 ( 6.331 4.021 -7.341) 10.495 5.213 ( -20.446 -7.670 8.987) 23.614 6.268 ( -0.670 -2.939 -1.431) 3.336 6.632 ( -3.502 1.316 1.482) 4.024 6.711 ( -0.552 7.919 -5.209) 9.494 7.238 ( 0.138 0.326 -1.291) 1.339 7.692 ( 0.967 -1.779 2.450) 3.178 8.903 ( 14.768 0.477 4.979) 15.592 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -17.154 -9.402 1.663) 19.632 2.696 ( -24.619 -5.855 4.124) 25.640 3.806 ( -2.171 4.144 -4.395) 6.419 4.154 ( -3.763 -3.269 -2.651) 5.646 4.634 ( -29.944 -10.163 -0.087) 31.622 5.003 ( 6.414 3.510 0.238) 7.316 6.220 ( -2.229 -1.265 -1.805) 3.134 6.581 ( -3.862 0.406 2.208) 4.467 6.842 ( 7.694 7.620 -3.477) 11.374 7.200 ( -3.180 0.304 -3.917) 5.054 7.739 ( 4.443 0.383 1.786) 4.804 9.170 ( 14.217 -0.311 3.941) 14.756 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.000 21.549 13.856) 25.620 1.514 ( -0.000 23.347 13.023) 26.733 2.442 ( -0.000 41.129 10.527) 42.455 3.666 ( 0.000 -0.776 -6.576) 6.621 3.957 ( 0.000 7.867 -2.771) 8.341 5.436 ( -0.000 -7.258 0.941) 7.319 5.987 ( 0.000 2.026 -2.050) 2.882 6.559 ( -0.000 0.056 2.728) 2.729 6.648 ( 0.000 10.385 -1.477) 10.489 7.241 ( 0.000 1.510 -16.805) 16.873 8.293 ( -0.000 -9.966 8.640) 13.190 9.488 ( 0.000 -2.270 -10.815) 11.050 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 1.765 20.014 9.976) 22.432 1.841 ( 6.120 24.899 9.136) 27.219 2.938 ( 8.934 35.768 -0.735) 36.874 3.717 ( 8.062 1.058 -4.640) 9.362 4.049 ( 2.372 9.194 1.529) 9.617 5.375 ( -0.025 -5.804 1.645) 6.032 6.055 ( 5.054 2.432 -1.094) 5.714 6.534 ( -2.810 1.797 0.973) 3.475 6.811 ( 6.083 6.551 -0.278) 8.944 7.213 ( 3.494 -3.225 -10.354) 11.394 8.184 ( -2.770 -12.479 8.038) 15.100 9.324 ( -11.130 -2.843 -12.626) 17.069 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 3.364 17.720 3.268) 18.331 2.252 ( 9.411 25.663 6.670) 28.136 3.387 ( 12.089 23.346 -8.510) 27.633 3.858 ( 5.943 3.001 -5.750) 8.797 4.284 ( 11.039 12.477 8.180) 18.559 5.336 ( 0.894 -5.259 3.656) 6.467 6.175 ( 5.927 2.840 0.109) 6.573 6.520 ( -2.061 3.468 -0.035) 4.035 6.909 ( 1.990 -0.455 -2.393) 3.146 7.245 ( 6.048 -2.642 -3.992) 7.714 8.032 ( -3.521 -12.499 8.806) 15.690 9.002 ( -16.989 -2.692 -14.546) 22.527 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 5.804 14.985 -2.120) 16.209 2.682 ( 8.860 25.479 4.847) 27.407 3.774 ( 14.348 15.446 -6.543) 22.074 3.936 ( 2.529 3.151 -4.391) 5.966 4.627 ( 11.356 9.563 3.558) 15.266 5.332 ( 2.216 -4.546 6.390) 8.149 6.307 ( 5.819 3.112 1.548) 6.778 6.530 ( -1.876 5.340 -0.415) 5.675 6.890 ( 0.353 -3.547 -2.684) 4.462 7.292 ( 2.895 -1.702 -3.292) 4.703 7.880 ( -5.846 -10.233 8.686) 14.640 8.655 ( -13.345 -2.588 -13.084) 18.868 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 7.274 12.148 -4.422) 14.833 3.063 ( 5.691 23.775 3.094) 24.642 3.974 ( 1.102 2.913 -1.830) 3.612 4.137 ( 12.774 12.055 -3.897) 17.992 4.836 ( 5.675 3.279 -1.605) 6.747 5.346 ( 1.596 -4.954 6.656) 8.449 6.442 ( 5.226 3.129 3.058) 6.816 6.550 ( -2.371 6.110 -0.967) 6.625 6.855 ( 0.855 -3.150 -2.604) 4.175 7.319 ( 3.357 0.704 -2.429) 4.203 7.652 ( -13.772 -5.611 2.411) 15.065 8.462 ( -2.076 -4.595 -5.112) 7.181 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 6.781 9.163 -4.794) 12.367 3.352 ( 1.578 20.750 1.657) 20.876 4.001 ( -0.762 2.074 1.148) 2.490 4.404 ( 7.626 9.446 -5.117) 13.174 4.866 ( -3.721 0.552 -6.160) 7.218 5.357 ( 4.274 -5.090 9.302) 11.432 6.500 ( -3.508 1.626 1.498) 4.147 6.601 ( 3.348 4.769 -0.691) 5.868 6.859 ( 2.256 1.017 -2.331) 3.400 7.338 ( -9.175 -1.415 -7.480) 11.922 7.455 ( 2.465 1.141 7.699) 8.164 8.409 ( 2.022 -6.222 -1.024) 6.622 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 4.669 5.812 -4.288) 8.600 3.535 ( -2.546 17.419 1.129) 17.640 3.989 ( -3.390 0.746 3.205) 4.725 4.539 ( 0.737 7.571 -10.420) 12.901 4.706 ( -8.116 -2.464 -6.334) 10.585 5.463 ( 5.949 -1.351 12.412) 13.830 6.423 ( -4.714 -1.567 -1.415) 5.165 6.692 ( 1.883 3.942 -0.047) 4.369 6.923 ( -0.582 8.390 -3.048) 8.945 7.150 ( -5.756 -1.910 -1.682) 6.294 7.589 ( 7.158 -1.709 6.859) 10.060 8.390 ( 3.559 -5.740 -1.042) 6.834 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 1.201 1.916 -3.316) 4.013 3.602 ( -8.913 13.050 2.621) 16.019 3.929 ( -4.644 0.431 2.823) 5.452 4.426 ( -9.451 1.322 -14.283) 17.178 4.665 ( 2.261 2.005 -2.417) 3.870 5.554 ( -0.257 -0.423 10.851) 10.863 6.319 ( -3.424 -3.410 -2.452) 5.419 6.737 ( -0.925 3.555 -0.026) 3.674 6.910 ( -9.581 10.205 -3.591) 14.451 7.145 ( 4.858 -0.340 0.681) 4.918 7.666 ( 2.922 -4.791 5.513) 7.867 8.444 ( 9.707 -4.414 0.085) 10.664 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( -4.209 -2.203 -2.270) 5.265 3.458 ( -19.204 3.835 4.531) 20.100 3.902 ( -2.579 5.220 0.669) 5.861 4.259 ( -5.586 -0.786 -9.043) 10.658 4.735 ( 4.157 3.827 -4.540) 7.248 5.471 ( -12.123 -3.500 7.460) 14.658 6.241 ( -0.985 -2.812 -1.112) 3.180 6.731 ( -3.727 3.089 0.406) 4.857 6.839 ( -6.746 7.572 -2.535) 10.453 7.222 ( 2.325 1.998 -1.769) 3.539 7.659 ( 0.833 -3.674 2.945) 4.782 8.629 ( 15.922 -4.259 2.052) 16.609 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -11.688 -5.367 -1.445) 12.942 3.099 ( -25.000 -1.621 4.186) 25.400 3.911 ( -4.249 7.141 -1.535) 8.450 4.155 ( -2.442 -2.659 -4.320) 5.630 4.837 ( 2.544 3.723 -6.558) 7.959 5.135 ( -21.475 -5.430 7.545) 23.401 6.221 ( 0.165 -0.743 0.416) 0.867 6.677 ( -5.343 1.608 1.085) 5.684 6.836 ( 0.047 5.637 -2.474) 6.156 7.243 ( -1.401 2.888 -3.306) 4.608 7.673 ( 3.161 -1.444 1.681) 3.860 8.880 ( 17.400 -4.781 0.933) 18.069 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -0.000 19.633 6.225) 20.596 2.050 ( -0.000 23.994 6.843) 24.951 3.238 ( 0.000 35.821 -5.106) 36.183 3.626 ( 0.000 0.740 -4.185) 4.250 4.137 ( -0.000 11.646 4.124) 12.354 5.329 ( -0.000 -5.412 3.777) 6.600 6.039 ( 0.000 4.242 -0.791) 4.315 6.574 ( -0.000 0.061 1.358) 1.359 6.829 ( 0.000 7.847 -1.687) 8.027 7.111 ( 0.000 -5.271 -5.772) 7.816 8.099 ( -0.000 -13.951 5.954) 15.168 9.345 ( 0.000 -4.037 -12.908) 13.525 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.044 17.057 1.049) 17.089 2.369 ( 7.648 23.794 4.857) 25.460 3.490 ( 0.224 21.997 -8.048) 23.424 3.737 ( 8.845 4.961 -6.215) 11.895 4.328 ( 4.034 16.469 8.210) 18.839 5.296 ( 0.052 -4.405 6.034) 7.472 6.122 ( 4.185 4.622 0.395) 6.248 6.571 ( -0.767 1.493 -0.159) 1.686 6.879 ( 0.325 0.120 -2.704) 2.726 7.104 ( 5.461 -2.642 -0.892) 6.132 7.968 ( -1.453 -13.025 4.799) 13.957 9.165 ( -10.481 -4.380 -13.319) 17.505 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 1.698 14.244 -2.953) 14.646 2.786 ( 10.920 24.296 4.679) 27.045 3.714 ( 8.161 14.779 -3.743) 17.293 3.878 ( 5.224 3.868 -7.526) 9.944 4.597 ( 5.916 12.810 3.507) 14.539 5.296 ( 0.850 -1.588 7.965) 8.166 6.254 ( 5.287 4.305 2.397) 7.227 6.587 ( 0.242 3.408 -1.459) 3.715 6.846 ( -0.273 -3.375 -2.186) 4.031 7.187 ( 5.844 -1.979 -0.896) 6.235 7.847 ( -1.046 -10.438 5.152) 11.687 8.847 ( -15.856 -3.942 -12.450) 20.542 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 4.285 12.118 -3.912) 13.435 3.209 ( 8.150 24.289 4.695) 26.047 3.958 ( 3.188 2.991 -4.938) 6.595 4.022 ( 13.074 11.847 -0.998) 17.671 4.764 ( 4.940 3.101 -1.192) 5.953 5.328 ( -0.539 0.430 5.597) 5.640 6.393 ( 5.228 3.268 4.356) 7.549 6.630 ( 0.227 4.957 -1.756) 5.263 6.803 ( -0.172 -2.766 -2.458) 3.705 7.250 ( 4.419 -0.637 -1.869) 4.840 7.746 ( -3.600 -7.274 3.709) 8.923 8.521 ( -12.270 -3.972 -8.020) 15.187 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 5.246 9.985 -3.427) 11.788 3.543 ( 2.652 21.646 4.186) 22.206 4.016 ( 1.727 2.565 -1.855) 3.605 4.341 ( 10.661 10.250 -1.242) 14.841 4.860 ( 4.975 1.137 -2.403) 5.640 5.296 ( -2.358 -2.969 2.399) 4.487 6.513 ( 3.916 0.798 3.916) 5.596 6.652 ( -3.269 5.108 -1.649) 6.284 6.796 ( 3.569 -0.696 -2.204) 4.252 7.326 ( 4.237 1.558 -2.251) 5.045 7.584 ( -9.647 -2.650 1.091) 10.064 8.336 ( -2.432 -5.699 -1.622) 6.405 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 4.066 7.326 -2.863) 8.854 3.752 ( -1.495 17.050 3.523) 17.474 4.045 ( -0.803 1.534 1.112) 2.058 4.544 ( 4.414 7.319 -3.200) 9.127 4.853 ( -9.455 4.418 -9.166) 13.890 5.322 ( 10.008 -4.418 7.647) 13.348 6.499 ( -5.551 -0.881 -1.147) 5.736 6.686 ( 2.903 3.200 1.308) 4.514 6.888 ( 6.735 1.469 -0.976) 6.962 7.306 ( -9.038 2.990 -4.968) 10.738 7.506 ( 2.646 -0.425 5.152) 5.807 8.276 ( 1.878 -6.714 0.080) 6.972 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 1.396 4.154 -2.545) 5.067 3.861 ( -4.374 12.663 3.795) 13.924 4.017 ( -4.064 0.002 2.654) 4.854 4.626 ( -15.351 6.425 -12.566) 20.853 4.644 ( 2.103 2.376 -1.474) 3.498 5.506 ( 8.911 -1.564 7.144) 11.528 6.370 ( -6.551 -1.572 -1.607) 6.926 6.768 ( 1.840 3.313 0.696) 3.853 7.019 ( 7.776 -3.224 -0.673) 8.445 7.175 ( -9.917 10.188 -2.312) 14.404 7.576 ( 4.219 -2.946 4.346) 6.735 8.263 ( 4.853 -6.671 -0.138) 8.251 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -2.454 0.931 -2.500) 3.624 3.807 ( -14.396 2.636 4.987) 15.461 3.991 ( -1.299 4.753 2.322) 5.447 4.385 ( -12.494 3.048 -8.027) 15.160 4.710 ( 2.019 4.694 -3.352) 6.111 5.577 ( -1.248 -2.894 3.602) 4.786 6.262 ( -4.056 -0.774 0.543) 4.165 6.807 ( -1.355 3.709 -0.712) 4.013 6.984 ( -4.035 -3.601 -0.893) 5.481 7.225 ( 0.489 10.149 -2.273) 10.412 7.609 ( 2.164 -3.632 3.131) 5.261 8.336 ( 11.710 -6.402 0.384) 13.352 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -7.723 -1.471 -2.859) 8.366 3.506 ( -22.161 -1.831 3.811) 22.561 4.031 ( -0.985 4.224 2.227) 4.876 4.215 ( -8.877 2.691 -4.259) 10.207 4.796 ( 3.865 4.965 -2.996) 6.969 5.415 ( -13.568 -5.148 1.332) 14.573 6.231 ( -0.967 1.312 3.312) 3.691 6.781 ( -4.796 1.375 -0.882) 5.067 6.890 ( -2.794 -0.585 -1.990) 3.480 7.292 ( -0.976 6.128 -2.660) 6.752 7.619 ( 2.011 -2.228 2.039) 3.628 8.526 ( 16.930 -5.859 -0.945) 17.940 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 14.489 -3.060) 14.808 2.520 ( -0.000 20.784 0.561) 20.792 3.653 ( -0.000 3.735 0.406) 3.757 3.699 ( 0.000 18.347 -11.456) 21.630 4.502 ( -0.000 18.503 7.770) 20.068 5.290 ( -0.000 -1.605 8.628) 8.776 6.140 ( -0.000 5.934 0.673) 5.972 6.579 ( 0.000 0.096 -0.422) 0.432 6.850 ( 0.000 -5.360 -1.080) 5.468 7.048 ( -0.000 1.429 0.652) 1.571 7.872 ( -0.000 -10.795 1.841) 10.951 9.160 ( 0.000 -5.965 -12.984) 14.289 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -0.080 11.301 -6.223) 12.901 2.809 ( 11.048 18.965 -0.703) 21.959 3.729 ( 3.174 7.254 1.858) 8.134 3.844 ( 2.862 10.686 -7.288) 13.248 4.680 ( 0.539 9.994 3.695) 10.669 5.335 ( -0.144 5.235 9.332) 10.700 6.235 ( 3.469 5.837 2.085) 7.103 6.584 ( 0.930 0.306 -1.635) 1.905 6.797 ( 1.332 -5.896 0.888) 6.109 7.094 ( 2.942 0.662 0.233) 3.025 7.782 ( -0.613 -6.964 0.727) 7.028 8.974 ( -9.065 -6.478 -11.949) 16.338 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 2.810 9.642 -5.518) 11.459 3.232 ( 15.987 18.782 -0.066) 24.665 3.880 ( 5.872 4.335 -0.772) 7.339 3.982 ( 4.863 9.582 -0.103) 10.745 4.735 ( 0.602 -0.368 1.292) 1.472 5.419 ( -2.556 8.769 4.610) 10.231 6.365 ( 4.079 3.994 4.745) 7.424 6.607 ( 2.921 -0.447 -2.603) 3.938 6.795 ( 1.112 0.072 -0.507) 1.224 7.151 ( 4.462 -1.444 0.438) 4.711 7.721 ( -0.860 -3.693 0.449) 3.819 8.678 ( -13.300 -5.966 -9.053) 17.159 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 4.898 8.591 -3.342) 10.439 3.658 ( 10.551 18.433 1.281) 21.278 3.983 ( 3.563 2.930 -3.010) 5.508 4.224 ( 12.603 7.217 4.125) 15.098 4.748 ( 4.079 -3.915 1.509) 5.852 5.411 ( -7.763 6.017 -1.673) 9.964 6.464 ( 3.335 -0.287 5.432) 6.381 6.670 ( 5.060 1.052 -2.566) 5.770 6.801 ( -3.156 4.358 -1.965) 5.728 7.235 ( 6.720 -0.986 0.656) 6.824 7.661 ( -3.572 -2.065 -0.933) 4.230 8.392 ( -10.238 -4.879 -3.914) 11.998 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 4.541 6.884 -1.786) 8.438 3.918 ( 1.384 13.070 2.769) 13.432 4.049 ( 2.170 1.965 -1.496) 3.288 4.508 ( 8.315 6.857 0.716) 10.802 4.862 ( 12.618 -1.184 2.436) 12.905 5.279 ( -10.079 2.478 -3.904) 11.089 6.520 ( 2.813 -1.672 2.443) 4.083 6.720 ( -3.392 2.251 -1.547) 4.355 6.799 ( 3.109 1.990 -0.627) 3.745 7.346 ( 5.198 1.282 -0.611) 5.389 7.555 ( -5.855 -0.481 -0.709) 5.917 8.228 ( -3.464 -4.606 -0.025) 5.763 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 2.308 4.458 -1.224) 5.167 4.015 ( -1.543 6.989 2.334) 7.528 4.071 ( -1.182 0.255 0.920) 1.519 4.629 ( 2.070 2.481 -0.473) 3.266 4.955 ( -13.756 11.807 -7.241) 19.521 5.275 ( 14.991 -4.890 4.187) 16.315 6.493 ( -7.153 1.775 -0.887) 7.423 6.711 ( 5.320 -3.026 1.917) 6.414 6.878 ( 4.209 -0.267 -1.373) 4.436 7.386 ( -4.434 6.508 -2.174) 8.170 7.513 ( 1.770 -1.101 2.156) 2.999 8.157 ( 0.336 -5.473 0.461) 5.502 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -0.878 2.034 -1.410) 2.626 3.999 ( -6.708 -1.072 2.275) 7.164 4.050 ( -0.989 1.839 1.527) 2.587 4.616 ( -6.871 0.610 -0.710) 6.935 4.804 ( -10.414 11.905 -3.796) 16.266 5.474 ( 9.639 -4.715 0.144) 10.731 6.372 ( -7.744 2.101 1.754) 8.213 6.804 ( 6.278 -2.310 0.008) 6.690 6.911 ( 1.803 -2.131 -2.529) 3.767 7.374 ( -4.433 8.446 -0.850) 9.577 7.544 ( 2.368 -2.555 1.629) 3.846 8.143 ( 4.530 -4.784 0.423) 6.602 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -4.795 0.503 -2.315) 5.348 3.802 ( -14.663 -3.935 1.948) 15.306 4.049 ( -0.072 -1.318 1.285) 1.842 4.461 ( -12.551 6.180 0.794) 14.013 4.810 ( -0.687 6.704 -0.115) 6.740 5.477 ( -1.427 -6.938 -4.094) 8.181 6.312 ( -3.974 3.581 5.225) 7.477 6.824 ( 0.072 -4.827 -2.409) 5.395 6.900 ( -1.286 1.976 -2.812) 3.669 7.378 ( -2.889 4.469 -0.647) 5.360 7.557 ( 2.801 -3.985 0.918) 4.957 8.240 ( 10.684 -1.692 -0.503) 10.829 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 0.000 8.071 -8.904) 12.018 2.849 ( 0.000 13.874 -3.735) 14.368 3.780 ( -0.000 7.274 4.007) 8.304 3.914 ( 0.000 10.253 -3.019) 10.688 4.744 ( -0.000 0.313 3.521) 3.535 5.461 ( -0.000 12.835 7.750) 14.993 6.272 ( -0.000 6.510 1.977) 6.804 6.570 ( 0.000 -0.189 -2.088) 2.097 6.708 ( -0.000 -8.828 4.450) 9.886 7.094 ( 0.000 2.710 -0.651) 2.787 7.742 ( 0.000 -1.857 -1.485) 2.377 8.937 ( 0.000 -8.416 -11.068) 13.905 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 1.691 6.669 -7.115) 9.897 3.085 ( 14.474 11.238 -4.010) 18.759 3.883 ( 1.730 7.102 3.249) 7.999 4.013 ( 1.876 7.306 1.424) 7.676 4.720 ( -0.573 -4.951 3.046) 5.841 5.592 ( -2.796 12.907 2.844) 13.509 6.368 ( 2.575 5.392 3.781) 7.071 6.550 ( 0.313 -2.657 -1.789) 3.219 6.710 ( 6.365 -3.897 2.964) 8.031 7.118 ( 0.064 1.956 -0.427) 2.003 7.732 ( -1.271 2.631 -2.043) 3.565 8.752 ( -7.124 -8.899 -8.853) 14.433 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 4.720 6.488 -3.360) 8.699 3.496 ( 21.772 10.190 -4.438) 24.445 3.982 ( 1.433 5.605 1.353) 5.942 4.138 ( 5.707 3.186 6.259) 9.049 4.676 ( 0.518 -4.942 2.415) 5.524 5.616 ( -7.260 9.131 -2.291) 11.888 6.441 ( 0.619 -1.260 5.696) 5.866 6.575 ( 5.530 0.836 -2.100) 5.974 6.830 ( 6.238 2.953 -0.390) 6.913 7.134 ( 1.604 -0.909 0.911) 2.057 7.719 ( -3.741 4.004 -2.701) 6.109 8.498 ( -9.590 -7.197 -4.888) 12.948 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 5.430 5.525 -0.799) 7.787 3.901 ( 13.945 7.916 -5.600) 16.985 4.050 ( 0.585 3.986 0.631) 4.078 4.350 ( 15.647 1.194 8.667) 17.927 4.668 ( 3.568 -4.803 2.421) 6.454 5.521 ( -11.350 7.131 -4.817) 14.243 6.446 ( 2.481 -3.976 2.784) 5.452 6.691 ( 5.442 2.379 -0.277) 5.946 6.901 ( -4.637 6.456 -1.548) 8.098 7.202 ( 9.293 -3.317 1.652) 10.004 7.651 ( -6.277 1.888 -3.253) 7.318 8.288 ( -7.340 -3.680 -0.891) 8.259 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 3.856 3.489 0.129) 5.202 4.060 ( 2.726 1.770 -1.809) 3.720 4.081 ( -0.229 1.392 -0.015) 1.410 4.618 ( 3.131 3.601 0.603) 4.810 4.822 ( 23.497 -5.662 5.353) 24.755 5.357 ( -14.349 7.442 -3.724) 16.587 6.484 ( 5.947 -3.343 0.349) 6.831 6.738 ( -6.407 2.066 -1.132) 6.827 6.849 ( -0.962 2.018 1.400) 2.638 7.360 ( 9.163 0.158 0.441) 9.175 7.554 ( -4.948 0.984 -1.704) 5.325 8.159 ( -4.797 -2.353 0.154) 5.345 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 1.231 1.354 0.001) 1.830 4.062 ( -1.753 -1.112 0.110) 2.079 4.067 ( -1.175 -2.097 -0.112) 2.406 4.650 ( 0.225 0.206 0.004) 0.305 5.165 ( -5.510 8.835 0.131) 10.413 5.173 ( 8.596 -5.528 -0.135) 10.221 6.569 ( -6.899 5.611 1.130) 8.964 6.596 ( 5.476 -7.249 -1.281) 9.175 6.895 ( 1.845 1.874 0.191) 2.637 7.471 ( 1.050 1.452 -0.284) 1.814 7.501 ( -0.735 -0.582 0.245) 0.969 8.086 ( -0.953 -1.196 0.000) 1.529 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -1.764 0.298 -0.842) 1.977 3.952 ( -8.037 -4.722 0.321) 9.327 4.029 ( -0.168 -3.686 0.624) 3.742 4.636 ( -2.917 1.290 0.153) 3.193 5.008 ( -12.033 7.090 5.303) 14.940 5.322 ( 7.887 -7.839 -6.499) 12.880 6.457 ( -6.549 2.542 4.624) 8.410 6.694 ( 6.593 -3.384 -3.818) 8.337 6.943 ( 0.429 4.301 -1.152) 4.473 7.430 ( -2.147 -4.977 1.700) 5.680 7.488 ( -0.282 -1.555 -1.619) 2.262 8.131 ( 4.569 3.824 0.245) 5.963 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 5.127 -5.798) 7.739 3.031 ( 0.000 7.883 -2.994) 8.432 3.950 ( -0.000 6.467 2.667) 6.995 4.062 ( -0.000 4.021 3.489) 5.324 4.679 ( -0.000 -5.977 2.986) 6.681 5.745 ( -0.000 10.903 -0.135) 10.904 6.411 ( -0.000 5.701 2.770) 6.338 6.543 ( 0.000 -0.819 -2.969) 3.080 6.584 ( -0.000 -7.495 6.407) 9.860 7.147 ( 0.000 3.211 -1.183) 3.422 7.792 ( 0.000 8.132 -2.659) 8.556 8.686 ( 0.000 -10.542 -7.271) 12.806 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 3.166 5.374 -1.641) 6.449 3.227 ( 15.319 6.164 -2.222) 16.662 4.017 ( 0.942 4.009 0.726) 4.181 4.113 ( 1.955 0.023 6.033) 6.341 4.638 ( 0.004 -3.686 2.099) 4.241 5.789 ( -4.315 6.891 -3.415) 8.819 6.454 ( -2.918 -3.474 3.232) 5.570 6.505 ( 3.972 3.048 0.880) 5.084 6.675 ( 10.238 -1.680 1.638) 10.503 7.160 ( -1.552 2.505 -1.179) 3.174 7.844 ( -3.737 9.352 -3.495) 10.660 8.524 ( -4.601 -8.906 -3.868) 10.745 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 4.982 4.712 1.228) 6.966 3.614 ( 22.772 5.528 -3.797) 23.739 4.060 ( 1.259 0.934 -0.928) 1.822 4.183 ( 5.933 -3.484 9.578) 11.793 4.622 ( 0.370 -1.493 1.289) 2.007 5.726 ( -7.456 4.521 -4.787) 9.947 6.390 ( -0.296 -4.694 1.078) 4.826 6.626 ( 5.440 2.808 2.638) 6.666 6.877 ( 12.868 1.407 0.129) 12.945 7.129 ( -3.597 0.400 -0.369) 3.638 7.796 ( -8.196 4.327 -4.709) 10.396 8.367 ( -5.835 -2.838 -0.096) 6.489 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 4.546 2.443 1.990) 5.531 3.964 ( 11.658 3.408 -6.207) 13.640 4.067 ( 0.960 -2.415 -2.016) 3.288 4.375 ( 19.786 -6.002 11.291) 23.558 4.627 ( 0.588 0.289 0.740) 0.988 5.608 ( -9.401 3.903 -3.123) 10.648 6.366 ( 2.780 -4.415 -0.785) 5.276 6.746 ( 4.559 2.117 2.150) 5.467 7.009 ( -9.057 3.426 0.288) 9.687 7.145 ( 14.430 -1.741 0.680) 14.550 7.661 ( -7.520 0.970 -3.534) 8.365 8.255 ( -7.073 0.814 0.553) 7.141 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 2.931 -0.139 1.589) 3.337 4.023 ( 0.997 -6.168 -2.309) 6.661 4.066 ( 0.888 -0.014 -1.522) 1.762 4.610 ( 5.800 -5.858 0.548) 8.262 4.771 ( 18.574 -0.438 2.531) 18.751 5.468 ( -11.005 3.459 1.274) 11.606 6.397 ( 6.386 -3.941 -3.009) 8.085 6.798 ( -6.545 3.066 1.125) 7.315 6.884 ( -1.563 0.106 2.755) 3.169 7.367 ( 9.961 0.433 0.530) 9.984 7.560 ( -4.679 0.467 -1.404) 4.907 8.146 ( -6.160 1.589 -0.355) 6.372 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -0.000 5.818 2.141) 6.199 3.139 ( -0.000 4.298 0.245) 4.305 4.031 ( 0.000 0.733 -1.243) 1.443 4.106 ( -0.000 -2.263 6.337) 6.729 4.618 ( -0.000 -1.578 1.627) 2.266 5.858 ( 0.000 2.878 -5.592) 6.290 6.476 ( 0.000 -1.326 -2.567) 2.889 6.505 ( -0.000 -4.815 6.138) 7.802 6.546 ( -0.000 3.325 2.568) 4.201 7.194 ( 0.000 2.447 -1.737) 3.001 7.960 ( 0.000 7.916 -5.172) 9.456 8.477 ( 0.000 -5.037 -0.547) 5.067 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 2.204 5.161 4.639) 7.281 3.313 ( 15.267 3.063 0.838) 15.594 4.023 ( 1.070 -2.675 -2.885) 4.077 4.118 ( 1.885 -3.056 7.460) 8.279 4.616 ( 0.112 -0.211 1.358) 1.378 5.819 ( -3.172 -0.230 -6.767) 7.478 6.378 ( -3.327 -3.871 -0.043) 5.105 6.578 ( 4.975 0.971 4.500) 6.778 6.664 ( 9.981 -0.176 0.759) 10.012 7.193 ( -1.986 1.776 -1.300) 2.964 7.926 ( -5.466 -0.718 -6.214) 8.307 8.452 ( -3.469 4.746 2.137) 6.255 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 2.902 1.968 4.537) 5.734 3.660 ( 21.281 0.234 -2.717) 21.455 3.997 ( 1.767 -4.698 -3.522) 6.131 4.168 ( 5.031 -4.040 10.106) 11.990 4.629 ( 0.527 1.126 1.399) 1.872 5.720 ( -4.298 -2.216 -5.335) 7.200 6.305 ( -0.714 -3.653 -1.088) 3.878 6.690 ( 4.947 1.137 3.968) 6.443 6.875 ( 14.714 -1.834 0.224) 14.829 7.152 ( -4.492 2.005 0.130) 4.921 7.772 ( -6.956 -2.815 -4.598) 8.801 8.429 ( -8.151 7.887 1.549) 11.447 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 2.825 -1.786 3.325) 4.714 3.860 ( 8.007 -11.777 -5.315) 15.200 4.021 ( 4.585 1.538 -3.589) 6.023 4.302 ( 13.340 -7.063 8.161) 17.159 4.682 ( 2.860 3.731 2.351) 5.256 5.601 ( -4.729 -3.936 -1.265) 6.282 6.280 ( 2.410 -2.625 -3.011) 4.665 6.790 ( 4.515 0.488 2.584) 5.225 6.973 ( -2.403 -5.435 1.276) 6.078 7.205 ( 9.019 4.785 1.611) 10.336 7.639 ( -4.943 -0.587 -2.875) 5.748 8.335 ( -11.247 6.974 0.456) 13.242 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -0.000 5.100 7.223) 8.842 3.201 ( -0.000 0.590 2.852) 2.913 3.960 ( 0.000 -5.570 -4.136) 6.938 4.103 ( -0.000 -1.885 7.061) 7.308 4.622 ( -0.000 0.559 1.621) 1.715 5.789 ( 0.000 -5.145 -8.839) 10.227 6.409 ( 0.000 -3.133 -2.548) 4.038 6.479 ( -0.000 -1.684 5.089) 5.361 6.618 ( -0.000 1.491 2.702) 3.086 7.220 ( 0.000 1.177 -0.957) 1.518 7.910 ( 0.000 -6.595 -5.444) 8.552 8.583 ( -0.000 12.440 2.245) 12.641 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -0.461 1.071 6.415) 6.520 3.331 ( 13.955 -3.409 1.367) 14.430 3.899 ( 1.816 -6.205 -3.856) 7.528 4.125 ( 1.326 -1.344 8.053) 8.271 4.642 ( 0.347 2.055 2.107) 2.963 5.677 ( -0.653 -9.543 -8.652) 12.897 6.311 ( -3.759 -2.724 -0.741) 4.701 6.605 ( 9.411 -0.348 4.202) 10.312 6.669 ( 5.111 -0.300 0.488) 5.143 7.213 ( -1.549 0.617 0.316) 1.697 7.799 ( -3.224 -5.652 -3.788) 7.529 8.670 ( -6.127 13.505 0.973) 14.862 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.610 -4.089 4.357) 6.006 3.503 ( 14.242 -14.435 -4.197) 20.707 3.916 ( 6.453 -0.757 -2.055) 6.815 4.168 ( 2.481 -2.786 8.612) 9.385 4.696 ( 1.411 4.545 3.224) 5.748 5.539 ( 0.636 -13.083 -5.808) 14.328 6.243 ( -1.189 -1.550 -1.582) 2.514 6.719 ( 4.476 -0.637 2.602) 5.216 6.824 ( 10.889 -2.501 0.431) 11.181 7.201 ( -0.343 1.840 2.378) 3.026 7.688 ( -3.668 -2.032 -2.742) 5.010 8.639 ( -12.147 12.014 0.105) 17.085 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -0.000 -3.006 5.279) 6.075 3.159 ( -0.000 -8.133 1.552) 8.280 3.807 ( 0.000 -5.826 -2.457) 6.323 4.137 ( -0.000 -0.119 8.000) 8.001 4.676 ( -0.000 3.900 3.207) 5.049 5.516 ( 0.000 -16.754 -10.258) 19.645 6.327 ( 0.000 -3.812 -1.101) 3.968 6.519 ( -0.000 3.302 3.892) 5.104 6.635 ( -0.000 -1.109 1.186) 1.624 7.227 ( -0.000 -0.497 1.033) 1.146 7.764 ( 0.000 -3.986 -2.622) 4.771 8.867 ( 0.000 14.591 -0.519) 14.600 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( -1.314 -8.793 3.011) 9.387 3.134 ( 9.138 -16.605 -2.635) 19.136 3.800 ( 4.584 -2.054 0.571) 5.055 4.163 ( 0.052 -0.860 7.336) 7.387 4.743 ( 0.765 5.515 5.169) 7.598 5.308 ( 2.371 -21.652 -9.492) 23.759 6.261 ( -2.375 -2.213 -0.110) 3.248 6.645 ( 3.436 -1.989 -0.929) 4.077 6.664 ( 7.718 4.291 4.045) 9.713 7.219 ( -0.258 -1.061 2.311) 2.556 7.714 ( -2.047 -0.635 -2.026) 2.949 8.937 ( -7.556 13.535 -1.637) 15.587 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 0.000 -15.267 -0.029) 15.267 2.866 ( 0.000 -20.502 -3.255) 20.759 3.750 ( -0.000 -0.502 3.054) 3.095 4.177 ( -0.000 -1.630 5.878) 6.100 4.785 ( -0.000 -4.806 7.822) 9.181 5.034 ( 0.000 -16.888 -10.578) 19.927 6.251 ( -0.000 -3.847 0.948) 3.962 6.595 ( 0.000 -2.790 -0.945) 2.946 6.681 ( -0.000 10.680 3.885) 11.365 7.208 ( -0.000 -2.922 2.836) 4.072 7.732 ( 0.000 1.929 -1.805) 2.642 9.126 ( 0.000 13.067 -3.530) 13.535 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.000 0.000 24.999) 24.999 0.831 ( -0.000 0.000 24.999) 24.999 1.347 ( -0.000 0.000 41.217) 41.217 3.747 ( 0.000 -0.000 -6.418) 6.418 3.747 ( 0.000 -0.000 -6.418) 6.418 5.992 ( 0.000 -0.000 -2.266) 2.266 5.992 ( 0.000 -0.000 -2.266) 2.266 6.284 ( 0.000 -0.000 -20.484) 20.484 6.533 ( -0.000 0.000 3.335) 3.335 6.533 ( -0.000 0.000 3.335) 3.335 8.387 ( -0.000 0.000 11.255) 11.255 9.578 ( 0.000 -0.000 -2.097) 2.097 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 10.991 6.345 19.720) 23.451 1.104 ( 10.249 5.917 24.910) 27.578 1.768 ( 24.555 14.177 24.366) 37.385 3.744 ( 3.810 2.200 -5.419) 6.980 3.774 ( 2.339 1.350 -6.053) 6.628 5.614 ( -10.265 -5.926 -1.219) 11.915 6.031 ( 2.656 1.534 -2.227) 3.790 6.515 ( -1.649 -0.952 3.364) 3.866 6.545 ( 10.572 6.104 -1.637) 12.316 6.973 ( 24.369 14.070 -26.202) 38.450 8.411 ( -1.878 -1.084 9.584) 9.826 9.486 ( -7.605 -4.391 -4.746) 9.982 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 17.352 10.018 12.345) 23.535 1.413 ( 10.821 6.247 18.186) 22.064 2.471 ( 30.938 17.862 4.359) 35.989 3.810 ( 2.560 1.478 -5.376) 6.135 3.901 ( 10.873 6.278 1.352) 12.628 5.478 ( -2.812 -1.624 -2.264) 3.959 6.097 ( 3.862 2.230 -2.514) 5.119 6.483 ( -2.064 -1.192 3.409) 4.160 6.786 ( 9.689 5.594 1.737) 11.321 7.251 ( 9.275 5.355 -19.543) 22.285 8.350 ( -6.133 -3.541 9.236) 11.639 9.214 ( -13.637 -7.873 -10.234) 18.780 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 12.723 7.346 6.758) 16.172 1.855 ( 19.349 11.171 6.898) 23.383 3.133 ( 27.355 15.794 -6.489) 32.247 3.851 ( 2.488 1.436 -4.199) 5.088 4.230 ( 15.872 9.163 8.521) 20.211 5.440 ( -0.456 -0.263 -0.305) 0.608 6.189 ( 5.097 2.943 -2.938) 6.578 6.449 ( -1.955 -1.129 3.432) 4.107 6.940 ( 3.373 1.948 -1.323) 4.114 7.338 ( 3.187 1.840 -8.256) 9.039 8.214 ( -9.275 -5.355 13.293) 17.070 8.842 ( -13.730 -7.927 -17.292) 23.460 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 13.906 8.029 -1.605) 16.137 2.303 ( 18.486 10.673 3.097) 21.570 3.657 ( 21.388 12.348 -7.763) 25.888 3.893 ( 2.174 1.255 -2.399) 3.472 4.610 ( 13.806 7.971 7.237) 17.507 5.449 ( 0.604 0.349 3.699) 3.764 6.305 ( 6.038 3.486 -3.267) 7.699 6.421 ( -1.427 -0.824 3.404) 3.782 6.953 ( -0.709 -0.410 -2.636) 2.760 7.341 ( -0.689 -0.398 -4.004) 4.082 7.972 ( -16.612 -9.591 10.039) 21.650 8.578 ( -3.461 -1.998 -13.765) 14.334 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 13.323 7.692 -5.649) 16.388 2.696 ( 15.472 8.933 0.410) 17.870 3.931 ( 1.477 0.853 -0.076) 1.707 4.052 ( 15.621 9.019 -6.241) 19.086 4.846 ( 5.128 2.961 1.464) 6.100 5.473 ( -0.497 -0.287 7.283) 7.306 6.407 ( -0.798 -0.461 2.947) 3.088 6.434 ( 6.075 3.508 -3.013) 7.635 6.915 ( -1.729 -0.998 -2.684) 3.345 7.340 ( 2.862 1.653 -0.866) 3.417 7.587 ( -16.956 -9.790 0.473) 19.585 8.540 ( 0.664 0.383 -3.524) 3.606 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 11.219 6.477 -6.822) 14.641 2.996 ( 11.166 6.447 -1.521) 12.983 3.954 ( 0.019 0.011 2.366) 2.367 4.316 ( 9.686 5.592 -7.486) 13.459 4.844 ( -4.390 -2.535 -4.263) 6.624 5.487 ( -0.540 -0.312 11.975) 11.991 6.401 ( -0.672 -0.388 2.854) 2.958 6.551 ( 5.032 2.906 -2.986) 6.534 6.854 ( -2.802 -1.617 -4.466) 5.515 7.267 ( -9.350 -5.398 -4.295) 11.620 7.491 ( 8.232 4.753 7.328) 12.002 8.534 ( -0.788 -0.455 -1.220) 1.522 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 8.137 4.698 -6.228) 11.272 3.187 ( 6.325 3.652 -2.673) 7.778 3.940 ( -2.373 -1.370 4.098) 4.930 4.420 ( 1.854 1.070 -13.343) 13.514 4.698 ( -4.678 -2.701 -3.784) 6.595 5.532 ( -0.115 -0.067 15.596) 15.596 6.391 ( -1.062 -0.613 2.380) 2.677 6.633 ( 2.899 1.674 -2.494) 4.174 6.748 ( -4.473 -2.582 -8.248) 9.731 7.150 ( -0.902 -0.521 0.948) 1.409 7.704 ( 6.444 3.721 8.993) 11.673 8.514 ( 0.632 0.365 -2.043) 2.170 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 3.639 2.101 -4.243) 5.971 3.257 ( 0.364 0.210 -2.335) 2.373 3.874 ( -4.376 -2.527 3.814) 6.331 4.330 ( -3.330 -1.923 -15.058) 15.541 4.662 ( 1.359 0.784 -2.260) 2.751 5.550 ( -3.765 -2.174 14.433) 15.074 6.366 ( -1.823 -1.053 1.627) 2.661 6.624 ( -3.296 -1.903 -8.754) 9.546 6.663 ( 0.376 0.217 -1.671) 1.727 7.184 ( 2.296 1.326 2.488) 3.636 7.784 ( -1.704 -0.984 6.701) 6.984 8.605 ( 8.107 4.681 0.039) 9.362 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -3.991 -2.304 -1.745) 4.927 3.165 ( -8.736 -5.044 0.383) 10.094 3.791 ( -3.018 -1.742 0.534) 3.525 4.229 ( -1.585 -0.915 -9.976) 10.143 4.718 ( 4.658 2.689 -5.095) 7.409 5.407 ( -13.877 -8.012 11.225) 19.565 6.319 ( -2.641 -1.525 0.510) 3.092 6.572 ( 1.770 1.022 -6.410) 6.728 6.643 ( -1.648 -0.952 -0.494) 1.967 7.231 ( 0.864 0.499 0.257) 1.031 7.735 ( -2.509 -1.448 3.115) 4.254 8.847 ( 11.782 6.803 3.336) 14.008 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -0.000 16.307 21.544) 27.020 1.181 ( -0.000 15.411 19.069) 24.518 1.840 ( -0.000 23.317 26.395) 35.219 3.664 ( 0.000 -1.469 -7.109) 7.260 3.796 ( 0.000 6.799 -5.451) 8.714 5.622 ( 0.000 -13.439 -1.520) 13.524 5.961 ( 0.000 0.021 -1.950) 1.950 6.453 ( 0.000 9.108 -3.924) 9.918 6.567 ( -0.000 0.250 2.974) 2.984 6.918 ( 0.000 25.348 -20.286) 32.466 8.445 ( -0.000 -2.613 9.549) 9.900 9.513 ( 0.000 -3.623 -5.531) 6.612 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 5.047 19.484 14.045) 24.543 1.463 ( 4.276 14.001 20.506) 25.196 2.307 ( 15.562 27.627 8.614) 32.858 3.696 ( 6.977 -0.473 -5.408) 8.840 3.873 ( 2.594 8.800 -2.096) 9.411 5.480 ( -2.443 -5.449 -2.308) 6.402 6.023 ( 5.441 0.484 -1.701) 5.721 6.510 ( -1.497 0.684 1.427) 2.178 6.684 ( 9.346 6.496 1.453) 11.474 7.105 ( 6.823 10.521 -18.792) 22.592 8.406 ( -2.987 -6.418 8.643) 11.171 9.351 ( -11.138 -4.697 -8.814) 14.960 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 4.715 12.259 12.125) 17.876 1.804 ( 9.822 21.652 9.685) 25.673 2.884 ( 20.775 23.684 -5.295) 31.947 3.795 ( 5.007 1.610 -5.711) 7.764 4.097 ( 12.445 10.009 6.635) 17.294 5.419 ( 0.224 -2.735 -1.267) 3.023 6.122 ( 5.261 2.411 -1.841) 6.073 6.486 ( -1.922 0.011 2.036) 2.800 6.879 ( 5.876 2.771 -0.102) 6.497 7.232 ( 6.987 2.620 -10.642) 12.998 8.293 ( -4.400 -9.280 10.566) 14.735 9.011 ( -17.881 -4.638 -13.576) 22.925 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 7.298 12.067 3.150) 14.449 2.228 ( 11.422 21.611 5.670) 25.093 3.415 ( 20.446 17.707 -7.846) 28.163 3.862 ( 2.843 2.692 -4.726) 6.137 4.468 ( 15.067 8.890 7.547) 19.053 5.418 ( 2.264 -2.177 1.867) 3.654 6.237 ( 5.392 3.924 -2.013) 6.966 6.465 ( -1.934 1.142 2.246) 3.177 6.930 ( 1.051 -1.318 -2.782) 3.252 7.305 ( 2.789 -0.529 -5.293) 6.006 8.142 ( -8.593 -11.476 13.803) 19.901 8.636 ( -13.166 -1.590 -16.334) 21.039 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 9.488 11.227 -2.316) 14.881 2.632 ( 9.933 20.212 2.934) 22.711 3.859 ( 16.070 12.196 -5.877) 21.012 3.921 ( 2.811 3.718 -2.639) 5.356 4.766 ( 9.249 4.282 2.500) 10.494 5.453 ( 2.765 -2.940 4.961) 6.395 6.366 ( 5.554 4.756 -2.062) 7.597 6.458 ( -2.115 2.621 2.507) 4.198 6.905 ( -0.228 -2.452 -2.936) 3.832 7.304 ( 1.375 -0.208 -3.858) 4.101 7.814 ( -18.798 -9.728 3.817) 21.508 8.502 ( 0.642 -1.259 -4.516) 4.732 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 9.565 9.504 -4.727) 14.288 2.966 ( 6.533 17.833 0.853) 19.011 3.962 ( 1.037 2.097 0.120) 2.343 4.194 ( 10.883 9.680 -6.038) 15.767 4.861 ( -0.424 -0.814 -2.497) 2.660 5.481 ( 2.670 -3.814 7.907) 9.176 6.455 ( -2.712 2.904 2.403) 4.643 6.497 ( 4.889 4.934 -2.140) 7.268 6.861 ( -1.096 -1.767 -3.444) 4.023 7.336 ( -1.286 -0.574 -8.900) 9.011 7.484 ( -6.902 -2.136 8.825) 11.405 8.504 ( 1.730 -3.444 0.134) 3.856 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 8.019 7.095 -5.584) 12.076 3.203 ( 2.309 15.164 -0.717) 15.355 3.982 ( -1.241 0.942 2.749) 3.160 4.371 ( 3.570 5.909 -9.699) 11.905 4.746 ( -6.373 -3.464 -5.150) 8.896 5.545 ( 3.745 -2.037 12.455) 13.164 6.432 ( -2.954 0.640 1.609) 3.424 6.604 ( 3.057 4.348 -2.244) 5.770 6.804 ( -4.271 1.721 -5.641) 7.282 7.178 ( -4.629 -1.791 -2.499) 5.557 7.619 ( 9.358 1.802 9.053) 13.144 8.482 ( 0.668 -4.001 -0.882) 4.151 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 5.439 3.887 -5.437) 8.617 3.335 ( -2.474 12.639 -1.330) 12.947 3.948 ( -4.285 -0.767 4.147) 6.012 4.343 ( -4.806 1.246 -14.596) 15.417 4.650 ( -0.499 -0.550 -1.771) 1.921 5.615 ( 0.343 -1.364 13.173) 13.248 6.379 ( -2.283 -2.797 -0.021) 3.610 6.666 ( 0.597 3.240 -1.856) 3.782 6.718 ( -7.317 6.060 -6.354) 11.430 7.160 ( 2.146 -0.092 1.843) 2.830 7.774 ( 4.011 -2.860 8.191) 9.558 8.493 ( 6.098 -1.145 -1.672) 6.426 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 0.866 -0.583 -4.453) 4.574 3.338 ( -9.870 8.033 -0.001) 12.726 3.864 ( -5.368 -0.608 2.929) 6.146 4.225 ( -3.292 0.139 -11.541) 12.002 4.668 ( 2.374 1.739 -2.977) 4.186 5.577 ( -8.006 -3.922 10.994) 14.154 6.311 ( -1.018 -4.413 -0.595) 4.567 6.650 ( -6.439 8.472 -4.240) 11.455 6.676 ( -1.733 2.182 -1.389) 3.113 7.211 ( 2.261 0.062 0.710) 2.370 7.758 ( -1.863 -4.740 4.287) 6.657 8.670 ( 13.785 0.981 0.935) 13.852 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.000 16.959 16.417) 23.604 1.640 ( -0.000 20.287 11.520) 23.330 2.525 ( -0.000 33.873 5.199) 34.270 3.603 ( 0.000 -0.122 -5.573) 5.575 3.937 ( 0.000 9.999 -0.709) 10.024 5.437 ( 0.000 -5.743 -1.045) 5.837 5.972 ( 0.000 2.226 -0.934) 2.414 6.583 ( -0.000 -0.285 1.908) 1.930 6.640 ( 0.000 10.586 -0.142) 10.587 7.087 ( 0.000 6.171 -13.301) 14.663 8.378 ( -0.000 -10.468 8.081) 13.225 9.375 ( 0.000 -4.330 -11.328) 12.128 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.819 15.065 10.379) 18.313 1.934 ( 5.918 22.181 9.142) 24.710 2.906 ( 6.149 31.118 -5.550) 32.202 3.669 ( 7.850 1.341 -4.751) 9.273 4.083 ( 4.585 12.027 5.170) 13.870 5.385 ( -0.209 -3.433 0.384) 3.461 6.048 ( 5.170 2.886 -0.329) 5.930 6.542 ( -3.220 1.441 0.495) 3.562 6.811 ( 5.965 5.131 0.304) 7.874 7.121 ( 4.288 1.487 -7.739) 8.972 8.267 ( -1.953 -13.397 8.284) 15.872 9.189 ( -11.609 -3.864 -13.885) 18.507 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 1.788 13.621 3.578) 14.197 2.322 ( 8.882 24.534 6.906) 26.991 3.302 ( 12.138 23.375 -8.015) 27.531 3.796 ( 6.114 2.511 -6.280) 9.117 4.366 ( 10.688 11.972 7.607) 17.761 5.369 ( 1.175 -2.546 2.870) 4.013 6.177 ( 5.844 3.922 0.257) 7.043 6.519 ( -1.801 2.589 -0.138) 3.157 6.885 ( 1.459 -1.156 -2.242) 2.914 7.208 ( 5.854 -0.210 -3.284) 6.715 8.131 ( -1.569 -14.309 10.720) 17.948 8.849 ( -17.626 -1.990 -15.575) 23.605 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 4.713 12.988 -0.763) 13.838 2.734 ( 7.835 25.362 5.328) 27.074 3.713 ( 14.864 17.133 -5.249) 23.282 3.887 ( 4.132 3.170 -5.070) 7.268 4.657 ( 9.539 6.667 2.317) 11.866 5.390 ( 2.338 -2.865 5.022) 6.237 6.319 ( 5.506 4.922 0.832) 7.432 6.528 ( -1.254 4.271 0.028) 4.451 6.863 ( 0.314 -3.372 -2.610) 4.276 7.256 ( 2.372 -0.939 -3.636) 4.442 7.971 ( -7.738 -12.933 8.747) 17.426 8.532 ( -10.134 -0.599 -10.632) 14.700 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 6.501 11.699 -2.493) 13.614 3.099 ( 4.369 24.203 3.969) 24.912 3.950 ( 2.991 3.312 -2.794) 5.265 4.096 ( 11.967 13.134 -4.019) 18.217 4.820 ( 4.575 1.566 -1.766) 5.148 5.406 ( 2.230 -5.182 5.093) 7.600 6.462 ( 4.961 5.089 0.815) 7.154 6.547 ( -2.533 4.831 0.304) 5.463 6.828 ( 0.858 -2.967 -2.559) 4.011 7.287 ( 3.069 1.155 -3.919) 5.110 7.678 ( -14.744 -6.188 2.631) 16.205 8.431 ( 0.852 -4.349 -0.804) 4.504 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 6.106 9.553 -3.297) 11.808 3.374 ( 0.225 21.578 2.787) 21.759 4.008 ( 0.947 2.412 0.251) 2.603 4.345 ( 5.589 10.037 -6.445) 13.173 4.805 ( -5.129 -1.216 -5.706) 7.768 5.447 ( 7.109 -5.017 8.401) 12.094 6.508 ( -4.457 0.426 0.245) 4.484 6.594 ( 3.297 5.754 -1.078) 6.719 6.838 ( 1.910 2.017 -1.618) 3.215 7.262 ( -7.039 -0.085 -7.117) 10.011 7.537 ( 2.669 -0.266 8.243) 8.668 8.407 ( 1.824 -6.425 0.618) 6.707 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 4.203 6.620 -3.912) 8.763 3.551 ( -3.523 18.862 2.163) 19.310 4.020 ( -2.409 0.790 2.829) 3.798 4.417 ( -4.332 6.815 -12.737) 15.081 4.663 ( -4.062 -1.931 -2.951) 5.379 5.577 ( 7.037 -2.563 9.997) 12.492 6.409 ( -4.960 -2.579 -1.163) 5.710 6.683 ( 1.471 4.883 -1.798) 5.408 6.896 ( -2.823 9.843 -2.126) 10.458 7.135 ( -2.339 -2.033 -1.106) 3.290 7.663 ( 7.434 -3.067 7.553) 11.033 8.379 ( 2.973 -5.480 -0.992) 6.313 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 1.126 2.828 -4.314) 5.280 3.631 ( -9.115 15.576 2.932) 18.284 3.961 ( -5.139 -0.441 3.504) 6.236 4.286 ( -7.930 2.677 -13.003) 15.464 4.645 ( 1.256 1.252 -1.758) 2.497 5.651 ( -0.057 -2.712 8.188) 8.626 6.303 ( -3.316 -3.291 -0.722) 4.728 6.724 ( -0.981 4.154 -2.525) 4.959 6.883 ( -9.507 11.511 -1.651) 15.020 7.151 ( 4.573 -1.689 0.317) 4.886 7.721 ( 1.983 -6.175 5.306) 8.380 8.441 ( 10.608 -3.700 -0.728) 11.258 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.000 14.277 6.086) 15.520 2.107 ( -0.000 21.408 4.262) 21.829 3.161 ( 0.000 31.042 -9.525) 32.470 3.595 ( 0.000 2.098 -1.739) 2.725 4.198 ( -0.000 14.802 7.482) 16.585 5.362 ( -0.000 -2.674 2.746) 3.833 6.037 ( -0.000 4.556 0.377) 4.572 6.583 ( -0.000 -0.465 0.361) 0.589 6.817 ( 0.000 6.346 -0.507) 6.366 7.067 ( 0.000 -0.829 -2.857) 2.975 8.162 ( -0.000 -15.772 6.419) 17.028 9.201 ( 0.000 -4.042 -15.351) 15.874 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.303 12.613 -0.217) 12.619 2.408 ( 9.025 21.564 2.657) 23.527 3.407 ( 1.700 24.459 -8.101) 25.822 3.688 ( 6.539 3.537 -3.095) 8.053 4.412 ( 3.454 15.956 8.150) 18.247 5.354 ( -0.018 -1.527 5.155) 5.377 6.131 ( 4.519 5.155 1.188) 6.958 6.565 ( -1.228 1.007 -0.885) 1.818 6.857 ( 0.209 -0.208 -1.618) 1.645 7.104 ( 4.878 -0.420 0.857) 4.971 8.023 ( -0.187 -15.466 6.100) 16.626 9.018 ( -10.417 -3.379 -15.700) 19.142 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 2.119 11.871 -2.941) 12.412 2.825 ( 12.424 22.726 2.884) 26.060 3.680 ( 7.996 18.802 -2.969) 20.646 3.813 ( 5.426 3.447 -4.721) 7.976 4.631 ( 3.838 10.061 3.084) 11.201 5.370 ( 0.345 -0.237 6.368) 6.382 6.279 ( 5.708 5.414 2.366) 8.216 6.571 ( 0.292 2.847 -1.675) 3.316 6.827 ( -0.691 -2.740 -1.379) 3.145 7.181 ( 4.266 -1.196 -0.255) 4.438 7.906 ( 0.481 -13.661 6.603) 15.181 8.716 ( -14.834 -1.937 -13.360) 20.057 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 4.732 11.382 -2.636) 12.605 3.252 ( 8.983 23.471 3.638) 25.393 3.911 ( 4.087 3.485 -4.060) 6.733 4.014 ( 12.081 14.358 -0.656) 18.776 4.757 ( 3.807 2.927 -0.433) 4.821 5.376 ( -1.464 -1.564 3.765) 4.332 6.431 ( 4.959 4.676 3.013) 7.452 6.614 ( 0.804 4.280 -1.323) 4.551 6.781 ( -0.665 -2.688 -1.746) 3.274 7.234 ( 3.469 0.549 -1.295) 3.743 7.782 ( -4.569 -9.918 3.179) 11.373 8.448 ( -8.878 -2.418 -6.100) 11.039 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 5.211 10.080 -1.940) 11.512 3.587 ( 2.654 21.437 4.361) 22.036 3.994 ( 3.278 2.926 -2.238) 4.931 4.324 ( 8.482 11.869 -2.172) 14.749 4.832 ( 1.898 2.130 -3.069) 4.190 5.326 ( 0.532 -5.640 3.255) 6.534 6.539 ( 2.117 1.080 1.189) 2.658 6.641 ( -2.637 5.048 -0.649) 5.732 6.779 ( 4.156 -0.454 -0.973) 4.292 7.300 ( 1.917 2.563 -2.831) 4.273 7.600 ( -7.448 -3.770 2.030) 8.591 8.327 ( -0.747 -5.549 -0.071) 5.599 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 3.628 7.818 -1.924) 8.831 3.794 ( -1.800 16.985 4.573) 17.682 4.054 ( 0.799 1.795 0.465) 2.019 4.501 ( 1.765 9.982 -5.380) 11.476 4.767 ( -10.213 2.826 -7.544) 13.008 5.398 ( 11.842 -5.544 7.192) 14.923 6.485 ( -6.070 -1.031 -1.487) 6.334 6.694 ( 2.305 4.363 0.260) 4.942 6.884 ( 7.137 0.983 0.067) 7.204 7.260 ( -8.295 4.291 -4.094) 10.197 7.559 ( 3.478 -2.173 5.287) 6.691 8.278 ( 1.513 -6.656 0.249) 6.830 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 0.827 4.831 -2.494) 5.499 3.906 ( -3.795 12.606 5.077) 14.110 4.044 ( -3.489 -0.355 2.562) 4.343 4.496 ( -14.489 11.130 -12.514) 22.145 4.635 ( 0.284 0.554 -0.844) 1.049 5.567 ( 8.805 -4.028 5.037) 10.915 6.362 ( -6.208 -0.845 -0.132) 6.267 6.764 ( 0.760 4.260 -1.238) 4.501 7.013 ( 7.914 -4.471 -0.493) 9.103 7.156 ( -9.400 10.891 -1.441) 14.458 7.621 ( 4.479 -4.592 4.322) 7.735 8.260 ( 4.629 -6.142 -0.422) 7.703 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 10.602 -4.964) 11.707 2.513 ( 0.000 18.783 -1.889) 18.877 3.597 ( 0.000 20.722 -8.340) 22.337 3.670 ( -0.000 5.209 2.858) 5.942 4.579 ( -0.000 15.970 7.165) 17.504 5.371 ( -0.000 0.808 7.284) 7.328 6.151 ( -0.000 6.271 1.610) 6.475 6.570 ( 0.000 -0.483 -1.328) 1.413 6.843 ( 0.000 -2.816 -0.278) 2.829 7.067 ( -0.000 0.491 3.211) 3.248 7.894 ( -0.000 -13.388 2.646) 13.647 9.014 ( 0.000 -4.393 -15.506) 16.117 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 0.927 9.558 -6.523) 11.609 2.791 ( 12.480 17.222 -2.805) 21.452 3.756 ( 2.361 10.294 3.034) 10.988 3.788 ( 2.970 12.155 -3.526) 13.000 4.718 ( -0.582 8.169 3.760) 9.012 5.419 ( -0.813 4.814 7.046) 8.572 6.258 ( 4.073 6.416 2.480) 7.994 6.566 ( 0.751 -0.042 -2.060) 2.193 6.807 ( 0.113 -3.792 1.164) 3.968 7.109 ( 2.823 -0.393 2.788) 3.987 7.791 ( 0.453 -9.571 1.115) 9.646 8.844 ( -8.478 -4.391 -13.530) 16.560 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 4.082 9.537 -4.255) 11.213 3.219 ( 18.068 16.794 -2.469) 24.790 3.878 ( 2.842 5.122 0.610) 5.890 3.994 ( 6.571 12.890 2.098) 14.619 4.753 ( -0.319 0.356 2.148) 2.200 5.454 ( -3.967 5.492 2.276) 7.147 6.409 ( 4.735 5.268 3.851) 8.063 6.584 ( 2.760 -0.698 -1.954) 3.453 6.790 ( -0.354 0.191 -0.199) 0.449 7.166 ( 3.970 -1.107 2.432) 4.785 7.723 ( 0.046 -6.355 -0.173) 6.357 8.585 ( -11.599 -3.744 -8.947) 15.120 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 5.523 9.023 -1.757) 10.724 3.657 ( 13.670 15.961 -1.618) 21.077 3.966 ( 2.198 4.220 -0.339) 4.770 4.264 ( 10.709 9.634 3.646) 14.859 4.769 ( 3.608 -2.366 2.669) 5.074 5.389 ( -8.277 2.967 -2.617) 9.174 6.510 ( 2.320 0.021 3.701) 4.368 6.649 ( 5.342 1.047 -1.503) 5.648 6.784 ( -3.006 4.261 -1.261) 5.365 7.248 ( 5.484 -0.110 1.842) 5.786 7.646 ( -3.070 -3.877 -1.978) 5.326 8.357 ( -7.969 -3.525 -2.918) 9.190 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 4.464 7.377 -0.631) 8.646 3.940 ( 3.758 11.305 1.294) 11.984 4.035 ( 2.432 2.523 -0.887) 3.615 4.513 ( 5.881 7.706 0.228) 9.696 4.881 ( 7.205 3.041 1.115) 7.899 5.251 ( -5.487 -1.328 -1.555) 5.856 6.535 ( 0.593 -1.310 0.721) 1.608 6.709 ( -0.852 1.307 -0.544) 1.652 6.797 ( 2.276 2.801 -0.043) 3.609 7.342 ( 2.969 2.333 -0.234) 3.783 7.550 ( -3.139 -1.823 -0.305) 3.643 8.228 ( -2.792 -4.393 0.006) 5.205 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 1.815 4.938 -0.748) 5.313 4.038 ( -0.877 5.242 2.284) 5.785 4.078 ( 0.106 0.273 0.522) 0.599 4.624 ( 1.875 3.286 -0.563) 3.825 4.884 ( -15.891 14.959 -6.691) 22.827 5.317 ( 15.052 -6.956 4.056) 17.070 6.487 ( -6.796 2.480 -0.341) 7.243 6.727 ( 5.447 -3.709 1.234) 6.705 6.864 ( 3.176 0.040 -1.474) 3.502 7.368 ( -4.359 7.373 -1.259) 8.657 7.535 ( 2.629 -2.489 2.056) 4.164 8.160 ( 0.293 -5.379 0.130) 5.389 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 0.000 7.914 -7.878) 11.167 2.808 ( 0.000 13.646 -4.157) 14.265 3.823 ( -0.000 7.198 4.311) 8.390 3.898 ( -0.000 13.311 -0.164) 13.312 4.782 ( -0.000 0.047 3.824) 3.825 5.526 ( -0.000 9.900 4.992) 11.087 6.296 ( -0.000 6.798 2.585) 7.273 6.546 ( 0.000 -0.610 -2.684) 2.752 6.756 ( -0.000 -6.808 4.743) 8.297 7.103 ( -0.000 1.089 2.609) 2.828 7.722 ( 0.000 -3.239 -2.445) 4.058 8.819 ( 0.000 -6.104 -12.117) 13.568 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 2.829 7.948 -4.774) 9.693 3.045 ( 14.334 11.492 -3.913) 18.784 3.915 ( 1.032 6.470 2.839) 7.140 4.038 ( 2.668 9.652 3.454) 10.593 4.756 ( -0.919 -5.012 3.791) 6.351 5.607 ( -3.677 9.665 0.017) 10.340 6.404 ( 3.629 6.204 3.349) 7.930 6.532 ( 0.503 -2.117 -1.848) 2.855 6.745 ( 3.991 -4.098 3.777) 6.855 7.128 ( 0.743 0.404 2.501) 2.640 7.701 ( -0.963 1.977 -4.038) 4.598 8.662 ( -6.320 -6.439 -8.716) 12.545 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 5.356 7.882 -1.139) 9.598 3.450 ( 21.061 9.989 -4.500) 23.740 3.996 ( 1.050 5.047 1.290) 5.314 4.205 ( 6.656 5.336 6.960) 11.010 4.708 ( 0.486 -5.599 3.772) 6.769 5.581 ( -8.085 7.474 -4.562) 11.918 6.489 ( 0.122 -3.129 3.367) 4.599 6.564 ( 5.869 3.220 0.205) 6.697 6.827 ( 4.318 3.013 -0.250) 5.271 7.154 ( 2.775 -2.338 3.174) 4.821 7.680 ( -3.552 3.528 -5.153) 7.185 8.453 ( -8.219 -4.973 -3.872) 10.357 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 5.357 6.464 0.636) 8.419 3.844 ( 15.207 7.021 -5.429) 17.607 4.055 ( 0.715 3.090 0.242) 3.181 4.434 ( 12.128 4.025 7.643) 14.889 4.704 ( 5.245 -6.523 4.803) 9.650 5.466 ( -11.461 7.527 -6.124) 15.017 6.469 ( 2.207 -5.257 1.827) 5.987 6.693 ( 4.246 3.498 0.353) 5.512 6.889 ( -3.677 6.624 -0.912) 7.631 7.225 ( 8.628 -4.010 2.841) 9.929 7.610 ( -5.284 1.912 -4.653) 7.296 8.281 ( -6.693 -2.699 -0.501) 7.235 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.000 7.719 -2.214) 8.030 3.006 ( 0.000 9.106 -2.085) 9.341 3.971 ( -0.000 4.957 1.414) 5.155 4.107 ( -0.000 5.739 5.289) 7.804 4.714 ( -0.000 -6.911 3.896) 7.934 5.727 ( 0.000 8.299 -3.359) 8.953 6.439 ( -0.000 5.262 2.503) 5.827 6.514 ( 0.000 -0.344 -2.625) 2.648 6.655 ( -0.000 -7.448 7.490) 10.563 7.144 ( -0.000 1.707 0.670) 1.834 7.751 ( 0.000 8.364 -5.491) 10.005 8.616 ( 0.000 -7.786 -6.288) 10.008 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 3.197 7.791 1.357) 8.530 3.209 ( 14.307 7.471 -1.298) 16.193 4.017 ( 0.983 2.446 -0.581) 2.700 4.185 ( 2.743 1.157 8.009) 8.545 4.664 ( -0.095 -4.899 3.096) 5.795 5.738 ( -4.393 5.567 -6.531) 9.641 6.461 ( -0.960 -3.872 -0.946) 4.100 6.538 ( 2.746 4.480 4.363) 6.830 6.700 ( 8.633 -2.975 3.555) 9.798 7.152 ( -0.973 1.241 -0.150) 1.584 7.793 ( -3.792 9.084 -6.665) 11.888 8.493 ( -4.070 -5.928 -2.223) 7.526 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 4.451 6.164 2.853) 8.120 3.578 ( 20.231 6.083 -3.139) 21.358 4.045 ( 1.517 -0.456 -2.048) 2.590 4.292 ( 7.613 -2.745 11.802) 14.310 4.639 ( 0.237 -2.484 1.950) 3.167 5.665 ( -6.854 4.797 -7.373) 11.152 6.399 ( -0.162 -5.615 0.834) 5.679 6.657 ( 4.516 3.479 3.147) 6.511 6.881 ( 11.738 1.747 0.840) 11.897 7.128 ( -2.260 -0.808 0.264) 2.415 7.737 ( -7.495 4.450 -6.754) 11.027 8.370 ( -5.878 -1.183 0.664) 6.033 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.000 8.264 4.684) 9.500 3.146 ( -0.000 5.605 1.207) 5.734 4.011 ( 0.000 -0.714 -2.604) 2.700 4.185 ( -0.000 -2.155 9.197) 9.446 4.638 ( -0.000 -2.368 2.308) 3.307 5.784 ( 0.000 1.895 -9.083) 9.279 6.447 ( 0.000 -1.726 -2.975) 3.440 6.576 ( -0.000 3.808 3.037) 4.871 6.577 ( -0.000 -5.663 7.860) 9.687 7.176 ( 0.000 2.073 -1.683) 2.671 7.892 ( 0.000 7.139 -8.177) 10.854 8.480 ( -0.000 -1.887 0.998) 2.135 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 1.377 6.493 5.589) 8.677 3.323 ( 13.804 3.929 1.144) 14.397 3.989 ( 1.244 -3.623 -3.807) 5.400 4.212 ( 2.799 -3.710 11.193) 12.119 4.632 ( -0.031 -0.390 1.710) 1.754 5.733 ( -2.322 -0.374 -10.064) 10.336 6.378 ( -2.733 -3.964 0.011) 4.815 6.630 ( 4.054 1.253 5.173) 6.691 6.676 ( 9.590 -1.382 1.936) 9.880 7.178 ( -1.615 2.093 -1.675) 3.129 7.855 ( -5.005 0.467 -7.712) 9.205 8.474 ( -3.766 5.203 2.094) 6.755 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -0.000 5.327 6.278) 8.234 3.231 ( -0.000 0.896 2.875) 3.012 3.916 ( 0.000 -5.710 -4.386) 7.200 4.196 ( -0.000 -2.822 11.282) 11.630 4.640 ( -0.000 0.839 2.025) 2.192 5.684 ( 0.000 -5.029 -11.865) 12.887 6.385 ( 0.000 -2.655 -2.146) 3.414 6.543 ( -0.000 -3.015 7.273) 7.873 6.643 ( -0.000 1.019 2.254) 2.474 7.206 ( 0.000 2.142 -1.808) 2.803 7.850 ( 0.000 -4.307 -6.249) 7.590 8.600 ( -0.000 11.296 1.056) 11.345 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 0.000 21.944) 21.944 1.069 ( -0.000 0.000 21.944) 21.944 1.744 ( -0.000 0.000 36.925) 36.925 3.677 ( 0.000 -0.000 -7.340) 7.340 3.677 ( 0.000 -0.000 -7.340) 7.340 5.971 ( 0.000 -0.000 -1.998) 1.998 5.971 ( 0.000 -0.000 -1.998) 1.998 6.068 ( 0.000 -0.000 -21.567) 21.567 6.566 ( -0.000 0.000 3.138) 3.138 6.566 ( -0.000 0.000 3.138) 3.138 8.500 ( -0.000 0.000 10.760) 10.760 9.554 ( 0.000 -0.000 -2.493) 2.493 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 8.212 4.741 18.406) 20.705 1.349 ( 11.419 6.593 23.087) 26.587 1.999 ( 13.573 7.836 20.778) 26.026 3.694 ( 6.033 3.483 -4.088) 8.077 3.705 ( 2.685 1.550 -7.290) 7.922 5.582 ( -10.116 -5.840 -4.803) 12.630 6.008 ( 2.534 1.463 -2.332) 3.741 6.502 ( 18.239 10.530 -7.528) 22.365 6.549 ( -1.590 -0.918 3.291) 3.769 6.775 ( 15.721 9.077 -12.291) 21.923 8.506 ( -2.769 -1.599 9.003) 9.554 9.443 ( -9.194 -5.308 -3.928) 11.320 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 14.596 8.427 12.601) 21.044 1.618 ( 5.774 3.334 21.720) 22.720 2.484 ( 25.219 14.560 -1.811) 29.177 3.748 ( 3.144 1.815 -6.839) 7.743 3.930 ( 14.239 8.221 4.119) 16.950 5.444 ( -2.103 -1.214 -4.158) 4.815 6.069 ( 3.695 2.133 -2.854) 5.133 6.519 ( -2.022 -1.167 3.452) 4.167 6.804 ( 9.154 5.285 1.737) 10.712 7.064 ( 13.529 7.811 -17.169) 23.213 8.439 ( -5.177 -2.989 8.312) 10.238 9.124 ( -16.732 -9.660 -7.471) 20.715 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 7.313 4.222 10.367) 13.371 1.930 ( 17.260 9.965 7.767) 21.390 3.061 ( 26.178 15.114 -7.320) 31.102 3.800 ( 3.382 1.952 -5.791) 6.984 4.314 ( 16.613 9.592 7.614) 20.639 5.428 ( 1.248 0.721 -1.739) 2.259 6.157 ( 4.963 2.866 -3.354) 6.641 6.485 ( -1.942 -1.121 3.607) 4.247 6.922 ( 2.116 1.222 -2.234) 3.311 7.254 ( 6.264 3.617 -8.224) 10.952 8.354 ( -6.343 -3.662 14.236) 16.010 8.679 ( -17.242 -9.955 -14.610) 24.695 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 10.616 6.129 1.986) 12.419 2.341 ( 16.930 9.775 4.329) 20.023 3.586 ( 21.889 12.638 -6.110) 26.003 3.860 ( 3.378 1.950 -4.020) 5.601 4.670 ( 12.037 6.949 4.424) 14.586 5.476 ( 2.576 1.487 1.717) 3.434 6.269 ( 5.970 3.447 -3.679) 7.814 6.458 ( -1.440 -0.831 3.733) 4.087 6.923 ( -0.650 -0.375 -3.220) 3.306 7.292 ( 0.429 0.248 -5.438) 5.461 8.048 ( -21.704 -12.531 3.444) 25.298 8.490 ( 1.545 0.892 -2.168) 2.808 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 11.600 6.697 -2.352) 13.600 2.707 ( 14.240 8.221 1.821) 16.543 3.923 ( 2.878 1.662 -1.567) 3.674 3.992 ( 15.473 8.934 -5.481) 18.689 4.854 ( 2.969 1.714 -0.044) 3.429 5.533 ( 1.480 0.854 4.475) 4.790 6.393 ( 5.561 3.211 -3.502) 7.314 6.448 ( -0.329 -0.190 3.483) 3.504 6.882 ( -1.949 -1.125 -3.702) 4.332 7.301 ( 1.960 1.132 -6.482) 6.866 7.611 ( -14.843 -8.570 3.792) 17.554 8.538 ( 1.074 0.620 3.014) 3.259 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 10.454 6.035 -4.710) 12.957 2.987 ( 10.174 5.874 -0.289) 11.751 3.972 ( 1.324 0.764 1.244) 1.971 4.240 ( 8.175 4.720 -7.463) 12.034 4.800 ( -5.851 -3.378 -4.366) 8.044 5.596 ( 2.206 1.274 9.493) 9.829 6.430 ( -0.635 -0.367 2.800) 2.895 6.521 ( 4.970 2.869 -2.859) 6.412 6.800 ( -4.181 -2.414 -6.117) 7.792 7.210 ( -5.059 -2.921 -5.695) 8.158 7.585 ( 7.264 4.194 10.020) 13.067 8.535 ( -1.919 -1.108 1.422) 2.633 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 8.232 4.753 -6.055) 11.270 3.163 ( 5.765 3.328 -2.051) 6.966 3.979 ( -1.672 -0.965 3.597) 4.083 4.292 ( -0.746 -0.431 -11.790) 11.821 4.665 ( -3.055 -1.764 -2.868) 4.547 5.675 ( 0.764 0.441 12.470) 12.502 6.418 ( -1.353 -0.781 2.785) 3.193 6.606 ( 3.193 1.844 -2.884) 4.681 6.661 ( -5.071 -2.927 -8.640) 10.437 7.161 ( 0.748 0.432 1.301) 1.562 7.800 ( 6.199 3.579 9.564) 11.945 8.495 ( 0.026 0.015 -1.801) 1.801 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -0.000 12.572 15.966) 20.321 1.372 ( -0.000 15.609 20.324) 25.626 2.085 ( -0.000 13.141 21.403) 25.115 3.594 ( 0.000 -1.074 -6.483) 6.572 3.741 ( 0.000 8.600 -4.999) 9.947 5.584 ( 0.000 -11.725 -5.695) 13.035 5.945 ( 0.000 0.220 -1.096) 1.118 6.401 ( 0.000 15.523 -6.337) 16.767 6.594 ( -0.000 0.002 2.259) 2.259 6.769 ( 0.000 18.071 -9.443) 20.390 8.537 ( -0.000 -3.534 8.498) 9.204 9.461 ( 0.000 -6.452 -4.765) 8.021 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 3.693 16.947 12.559) 21.415 1.677 ( 5.243 10.090 21.340) 24.181 2.360 ( 9.087 21.013 1.514) 22.944 3.640 ( 6.933 -0.115 -5.519) 8.862 3.865 ( 5.448 11.410 0.785) 12.668 5.446 ( -2.528 -3.951 -4.227) 6.315 6.007 ( 4.849 1.105 -1.416) 5.171 6.523 ( -0.046 0.657 1.039) 1.230 6.699 ( 9.846 6.944 1.455) 12.136 6.941 ( 5.799 13.030 -13.526) 19.656 8.489 ( -2.827 -6.270 7.556) 10.217 9.269 ( -11.544 -8.167 -7.374) 15.948 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 3.392 8.801 11.414) 14.807 1.911 ( 6.444 18.190 11.523) 22.476 2.817 ( 19.471 22.146 -7.517) 30.432 3.732 ( 5.010 1.831 -6.521) 8.425 4.168 ( 14.012 11.174 6.718) 19.140 5.400 ( 0.732 -0.730 -2.187) 2.419 6.102 ( 4.507 3.378 -1.985) 5.972 6.507 ( -1.060 -1.113 2.025) 2.542 6.875 ( 4.174 1.568 -0.878) 4.545 7.135 ( 8.871 6.635 -8.293) 13.838 8.400 ( -2.122 -7.790 10.192) 13.003 8.884 ( -19.646 -7.995 -11.207) 23.989 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 4.646 8.855 5.126) 11.237 2.289 ( 9.846 20.928 6.300) 23.971 3.344 ( 21.061 17.964 -5.969) 28.318 3.809 ( 3.909 2.911 -5.671) 7.478 4.530 ( 13.847 7.780 4.456) 16.496 5.431 ( 3.223 -0.057 0.727) 3.305 6.214 ( 4.610 5.169 -2.404) 7.331 6.490 ( -1.096 0.010 2.499) 2.729 6.901 ( 0.703 -1.351 -2.870) 3.249 7.249 ( 2.912 0.687 -5.489) 6.251 8.277 ( -13.544 -14.042 11.138) 22.465 8.493 ( -7.164 0.238 -10.074) 12.364 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 7.660 9.755 0.765) 12.427 2.667 ( 8.491 20.070 3.983) 22.153 3.806 ( 16.435 12.790 -4.462) 21.298 3.888 ( 3.920 3.865 -3.779) 6.677 4.781 ( 8.006 2.705 0.515) 8.466 5.490 ( 3.560 -1.624 2.377) 4.578 6.341 ( 4.705 6.109 -2.720) 8.176 6.487 ( -1.402 1.637 2.958) 3.660 6.873 ( -0.430 -2.285 -3.157) 3.921 7.258 ( 1.436 0.284 -5.147) 5.351 7.834 ( -20.071 -9.086 0.161) 22.033 8.501 ( 3.438 -2.214 4.369) 5.984 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 8.141 9.021 -1.802) 12.284 2.981 ( 5.065 18.008 2.105) 18.825 3.957 ( 2.728 2.649 -1.100) 3.959 4.134 ( 9.717 9.317 -5.691) 14.616 4.831 ( -2.114 -2.300 -3.300) 4.544 5.549 ( 5.209 -2.388 5.579) 7.998 6.460 ( 1.883 5.321 -1.778) 5.917 6.492 ( 0.001 2.458 1.590) 2.928 6.824 ( -2.028 -1.300 -3.835) 4.529 7.245 ( -3.237 -0.567 -8.521) 9.133 7.574 ( -2.106 -0.996 8.368) 8.686 8.525 ( 1.052 -4.561 3.931) 6.113 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 6.921 7.218 -3.897) 10.732 3.201 ( 0.902 15.724 0.277) 15.753 4.005 ( 0.143 1.426 1.790) 2.293 4.273 ( 1.145 4.451 -9.373) 10.439 4.700 ( -5.329 -3.175 -4.017) 7.390 5.657 ( 5.583 -1.587 9.605) 11.222 6.448 ( -2.860 -0.904 1.456) 3.334 6.577 ( 2.848 4.686 -3.232) 6.365 6.747 ( -6.128 3.338 -5.399) 8.823 7.158 ( -1.047 -0.803 -1.335) 1.877 7.713 ( 9.468 1.345 8.897) 13.061 8.479 ( -0.888 -4.894 0.485) 4.997 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.000 17.490 8.018) 19.240 1.800 ( -0.000 12.402 17.498) 21.447 2.537 ( 0.000 26.733 -3.010) 26.902 3.557 ( 0.000 0.911 -3.307) 3.430 3.946 ( -0.000 13.192 2.410) 13.411 5.416 ( 0.000 -3.508 -2.931) 4.571 5.968 ( -0.000 2.511 0.178) 2.517 6.597 ( -0.000 -0.690 0.925) 1.154 6.646 ( -0.000 11.314 1.399) 11.400 6.974 ( 0.000 9.212 -9.078) 12.933 8.455 ( -0.000 -10.433 7.091) 12.615 9.262 ( 0.000 -7.786 -10.799) 13.313 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.310 11.487 7.752) 13.861 2.024 ( 6.361 17.078 8.423) 20.076 2.832 ( 5.464 28.927 -8.559) 30.658 3.627 ( 6.184 1.932 -3.359) 7.298 4.146 ( 5.781 14.312 6.710) 16.831 5.383 ( -0.165 -0.803 -0.771) 1.125 6.048 ( 4.825 3.502 0.305) 5.970 6.545 ( -3.282 0.835 0.163) 3.390 6.817 ( 5.009 3.729 0.813) 6.297 7.059 ( 4.711 5.793 -4.536) 8.737 8.352 ( -0.713 -13.364 8.428) 15.815 9.047 ( -11.655 -6.419 -13.966) 19.289 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 1.257 9.475 2.921) 9.995 2.386 ( 9.236 22.850 5.486) 25.249 3.230 ( 12.976 24.198 -6.033) 28.113 3.738 ( 5.466 2.837 -4.863) 7.847 4.432 ( 9.244 11.217 5.311) 15.475 5.393 ( 1.437 0.114 1.795) 2.302 6.180 ( 5.311 5.125 0.173) 7.383 6.518 ( -1.215 1.539 -0.069) 1.962 6.865 ( 0.784 -1.321 -1.549) 2.181 7.180 ( 4.659 1.584 -2.224) 5.400 8.248 ( 0.645 -15.829 12.496) 20.178 8.690 ( -17.373 -1.991 -15.697) 23.499 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 4.516 10.815 0.661) 11.739 2.786 ( 7.630 24.871 4.750) 26.445 3.669 ( 15.064 18.109 -3.303) 23.786 3.837 ( 4.738 3.660 -4.553) 7.522 4.673 ( 8.009 5.163 0.771) 9.560 5.430 ( 2.076 -1.461 2.678) 3.690 6.323 ( 4.672 6.576 -0.143) 8.068 6.532 ( -0.244 3.104 0.625) 3.176 6.839 ( -0.102 -3.074 -2.039) 3.690 7.221 ( 1.540 -0.023 -3.066) 3.431 8.041 ( -12.857 -13.960 3.981) 19.392 8.456 ( -2.766 -0.824 -3.263) 4.356 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 5.996 10.784 -0.123) 12.339 3.142 ( 3.626 24.435 4.373) 25.086 3.920 ( 4.259 3.759 -3.013) 6.430 4.057 ( 10.816 13.532 -3.773) 17.729 4.800 ( 3.224 0.440 -2.146) 3.898 5.447 ( 3.288 -4.501 2.942) 6.303 6.460 ( 3.890 6.690 -1.098) 7.816 6.554 ( -2.062 3.346 1.103) 4.082 6.805 ( 0.805 -2.323 -1.822) 3.060 7.243 ( 1.032 1.716 -4.530) 4.953 7.702 ( -12.773 -5.548 1.988) 14.067 8.446 ( 2.722 -6.001 3.705) 7.560 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 5.168 9.359 -1.216) 10.760 3.408 ( -0.997 22.411 3.806) 22.754 4.006 ( 2.608 2.893 -0.633) 3.946 4.276 ( 3.325 9.676 -7.034) 12.416 4.752 ( -5.431 -2.201 -4.881) 7.627 5.524 ( 9.103 -4.374 6.685) 12.111 6.507 ( -4.360 -1.056 -0.575) 4.523 6.578 ( 2.276 6.713 -1.948) 7.351 6.828 ( 1.294 3.547 -0.532) 3.813 7.198 ( -5.350 0.872 -5.425) 7.669 7.616 ( 3.850 -1.077 7.210) 8.245 8.422 ( 0.994 -7.623 2.307) 8.027 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.000 7.988 3.629) 8.774 2.133 ( -0.000 19.109 0.710) 19.122 3.059 ( 0.000 29.761 -9.883) 31.359 3.593 ( -0.000 3.507 1.307) 3.742 4.279 ( -0.000 16.512 8.108) 18.395 5.383 ( -0.000 0.274 1.255) 1.285 6.046 ( -0.000 4.831 1.422) 5.036 6.582 ( 0.000 -0.971 -0.656) 1.172 6.820 ( -0.000 4.557 0.964) 4.658 7.054 ( -0.000 3.212 0.157) 3.216 8.230 ( -0.000 -16.958 7.229) 18.435 9.038 ( 0.000 -5.058 -16.679) 17.429 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.020 8.554 -2.250) 8.845 2.420 ( 10.765 19.348 -0.418) 22.145 3.333 ( 3.479 26.381 -5.956) 27.268 3.677 ( 3.840 4.252 0.861) 5.793 4.488 ( 2.273 14.901 6.491) 16.412 5.398 ( -0.011 1.228 3.461) 3.672 6.146 ( 4.501 5.647 1.768) 7.434 6.553 ( -1.369 0.448 -1.443) 2.039 6.848 ( -0.089 -0.382 -0.108) 0.407 7.120 ( 3.640 1.255 2.404) 4.539 8.093 ( 1.429 -17.870 7.833) 19.564 8.851 ( -9.937 -2.703 -16.986) 19.864 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 3.306 10.006 -2.579) 10.849 2.840 ( 14.520 20.910 0.073) 25.457 3.655 ( 8.268 21.237 -1.786) 22.860 3.787 ( 3.907 4.324 -0.518) 5.850 4.658 ( 2.111 8.665 2.135) 9.170 5.421 ( -0.328 0.635 3.659) 3.729 6.301 ( 5.595 6.334 1.894) 8.661 6.555 ( 0.671 2.319 -1.546) 2.867 6.819 ( -1.270 -2.313 -0.217) 2.647 7.183 ( 2.431 -0.166 0.707) 2.537 7.977 ( 1.178 -17.311 7.061) 18.733 8.583 ( -12.345 -0.019 -12.353) 17.464 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.505 10.662 -0.929) 12.035 3.279 ( 11.005 22.128 1.412) 24.754 3.881 ( 3.497 4.388 -1.602) 5.835 4.009 ( 10.622 16.182 -0.233) 19.358 4.754 ( 2.595 3.204 -0.091) 4.124 5.402 ( -1.788 -2.742 1.333) 3.534 6.452 ( 4.146 5.789 1.080) 7.202 6.605 ( 1.557 3.696 -0.494) 4.041 6.769 ( -1.145 -2.508 -0.636) 2.830 7.225 ( 2.124 1.778 -0.464) 2.809 7.806 ( -6.048 -11.542 1.314) 13.097 8.404 ( -4.301 -2.519 -2.346) 5.509 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 5.138 9.838 -0.111) 11.099 3.629 ( 3.963 20.890 3.673) 21.577 3.974 ( 3.738 3.375 -1.643) 5.298 4.298 ( 5.888 13.206 -2.964) 14.760 4.799 ( -1.332 2.255 -3.208) 4.141 5.359 ( 3.767 -6.454 3.261) 8.154 6.537 ( 0.181 1.370 -1.476) 2.022 6.640 ( -1.982 5.195 0.427) 5.577 6.776 ( 4.749 -0.342 0.259) 4.768 7.271 ( -0.744 3.709 -2.683) 4.638 7.623 ( -4.454 -4.525 2.418) 6.795 8.335 ( 0.402 -6.591 1.502) 6.772 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 7.844 -6.500) 10.187 2.483 ( 0.000 17.588 -3.798) 17.993 3.534 ( 0.000 23.279 -4.021) 23.624 3.709 ( -0.000 5.974 4.613) 7.548 4.644 ( -0.000 13.870 5.498) 14.920 5.434 ( -0.000 2.868 4.966) 5.735 6.172 ( -0.000 6.503 2.411) 6.936 6.553 ( 0.000 -0.959 -2.161) 2.364 6.846 ( -0.000 -1.494 0.921) 1.755 7.111 ( -0.000 0.505 5.209) 5.234 7.928 ( -0.000 -16.611 4.091) 17.107 8.850 ( 0.000 -2.710 -16.675) 16.893 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 2.293 8.975 -5.681) 10.866 2.755 ( 13.286 16.363 -4.125) 21.477 3.761 ( 3.033 18.929 -0.391) 19.175 3.801 ( 1.645 6.459 4.217) 7.887 4.753 ( -1.408 7.314 2.976) 8.021 5.475 ( -1.549 4.112 3.997) 5.940 6.285 ( 4.205 6.781 2.694) 8.422 6.543 ( 0.921 -0.191 -2.450) 2.624 6.822 ( -0.794 -2.408 1.736) 3.073 7.149 ( 1.936 -0.396 4.837) 5.225 7.805 ( 1.634 -13.454 1.713) 13.661 8.706 ( -7.452 -2.029 -13.399) 15.466 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 5.344 9.879 -2.267) 11.458 3.185 ( 19.204 15.575 -3.972) 25.043 3.893 ( 1.455 5.876 2.241) 6.455 4.021 ( 6.802 14.850 3.196) 16.644 4.777 ( -0.978 1.501 2.373) 2.973 5.464 ( -4.978 2.686 -0.370) 5.668 6.441 ( 4.761 6.192 2.525) 8.209 6.567 ( 3.020 -0.487 -1.425) 3.374 6.793 ( -1.526 -0.072 0.708) 1.683 7.199 ( 2.694 0.026 3.969) 4.796 7.717 ( 0.900 -10.059 -1.018) 10.150 8.502 ( -9.250 -1.719 -7.170) 11.829 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 9.056 -5.239) 10.462 2.767 ( 0.000 14.138 -3.861) 14.656 3.865 ( -0.000 6.330 3.873) 7.421 3.909 ( -0.000 15.561 2.285) 15.728 4.819 ( -0.000 0.458 3.188) 3.220 5.561 ( -0.000 6.964 1.849) 7.205 6.324 ( -0.000 6.934 3.077) 7.586 6.517 ( 0.000 -0.847 -3.147) 3.259 6.802 ( -0.000 -4.492 4.251) 6.184 7.148 ( -0.000 -0.482 6.225) 6.243 7.693 ( 0.000 -6.106 -3.433) 7.005 8.698 ( 0.000 -3.393 -11.332) 11.829 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 3.550 9.726 -1.581) 10.473 3.008 ( 13.807 12.296 -3.190) 18.762 3.940 ( 0.791 5.292 2.127) 5.758 4.080 ( 3.130 11.517 4.816) 12.870 4.795 ( -1.063 -4.401 3.842) 5.938 5.592 ( -4.321 6.431 -2.870) 8.262 6.436 ( 3.850 6.261 2.833) 7.877 6.512 ( 1.412 -1.253 -2.047) 2.784 6.784 ( 1.551 -3.347 3.980) 5.427 7.171 ( 1.248 -1.702 5.917) 6.282 7.649 ( -0.537 0.350 -6.335) 6.367 8.581 ( -5.373 -3.731 -6.988) 9.572 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -0.000 10.216 1.540) 10.331 2.990 ( 0.000 10.443 -0.951) 10.487 3.978 ( -0.000 3.239 0.057) 3.240 4.168 ( -0.000 7.561 6.644) 10.065 4.756 ( -0.000 -7.283 4.334) 8.475 5.677 ( 0.000 5.519 -6.528) 8.548 6.452 ( 0.000 1.549 -0.690) 1.696 6.500 ( -0.000 3.414 0.660) 3.478 6.731 ( -0.000 -6.497 7.323) 9.790 7.163 ( -0.000 -1.351 3.301) 3.566 7.680 ( 0.000 8.220 -8.370) 11.732 8.563 ( 0.000 -4.760 -4.108) 6.287 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 0.000 17.545) 17.545 1.271 ( -0.000 0.000 17.545) 17.545 2.086 ( -0.000 0.000 30.303) 30.303 3.603 ( 0.000 -0.000 -7.057) 7.057 3.603 ( 0.000 -0.000 -7.057) 7.057 5.857 ( 0.000 -0.000 -19.646) 19.646 5.953 ( 0.000 -0.000 -1.502) 1.502 5.953 ( 0.000 -0.000 -1.502) 1.502 6.595 ( -0.000 0.000 2.511) 2.511 6.595 ( -0.000 0.000 2.511) 2.511 8.600 ( -0.000 0.000 8.919) 8.919 9.529 ( 0.000 -0.000 -2.504) 2.504 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.625 3.825 15.096) 16.924 1.561 ( 14.951 8.632 18.191) 25.079 2.181 ( 1.944 1.122 14.822) 14.991 3.630 ( 2.721 1.571 -7.325) 7.970 3.665 ( 9.184 5.303 -1.684) 10.738 5.522 ( -8.916 -5.148 -6.697) 12.282 5.985 ( 2.244 1.296 -2.137) 3.359 6.405 ( 24.285 14.021 -9.954) 29.756 6.580 ( -1.420 -0.820 2.734) 3.188 6.709 ( 7.584 4.378 -2.546) 9.119 8.589 ( -3.423 -1.976 7.259) 8.265 9.407 ( -10.070 -5.814 -3.114) 12.038 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 12.675 7.318 10.980) 18.296 1.843 ( 1.683 0.972 22.296) 22.381 2.436 ( 21.881 12.633 -7.338) 26.310 3.675 ( 3.452 1.993 -7.185) 8.216 3.976 ( 16.509 9.531 4.509) 19.588 5.400 ( -1.257 -0.726 -4.251) 4.492 6.040 ( 3.428 1.979 -2.796) 4.846 6.552 ( -1.859 -1.073 2.965) 3.660 6.820 ( 7.610 4.394 1.339) 8.888 6.909 ( 16.537 9.548 -13.127) 23.173 8.514 ( -4.391 -2.535 6.225) 8.029 9.065 ( -18.567 -10.720 -4.013) 21.812 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 2.684 1.549 11.274) 11.692 2.008 ( 15.701 9.065 7.434) 19.595 2.992 ( 26.618 15.368 -5.719) 31.263 3.737 ( 4.042 2.333 -6.482) 7.987 4.375 ( 16.274 9.396 3.932) 19.198 5.409 ( 2.605 1.504 -1.747) 3.479 6.123 ( 4.778 2.758 -3.267) 6.412 6.520 ( -1.797 -1.037 3.209) 3.821 6.895 ( 1.439 0.831 -2.945) 3.382 7.175 ( 7.719 4.457 -7.148) 11.425 8.474 ( -0.714 -0.412 2.909) 3.024 8.574 ( -22.737 -13.127 0.439) 26.258 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 7.775 4.489 5.067) 10.309 2.389 ( 15.710 9.070 4.964) 18.807 3.536 ( 22.108 12.764 -3.654) 25.789 3.814 ( 4.432 2.559 -5.088) 7.216 4.697 ( 10.968 6.332 0.789) 12.689 5.484 ( 3.687 2.129 -0.205) 4.262 6.233 ( 5.873 3.391 -3.484) 7.624 6.495 ( -1.337 -0.772 3.430) 3.762 6.890 ( -0.764 -0.441 -3.135) 3.257 7.233 ( 0.978 0.565 -6.173) 6.276 8.035 ( -21.414 -12.363 -4.808) 25.190 8.541 ( 1.902 1.098 11.011) 11.228 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 9.606 5.546 1.551) 11.200 2.732 ( 13.111 7.569 3.025) 15.438 3.900 ( 4.284 2.473 -2.893) 5.730 3.942 ( 14.761 8.522 -4.166) 17.546 4.844 ( 1.378 0.796 -1.794) 2.398 5.563 ( 3.652 2.109 1.387) 4.440 6.357 ( 5.969 3.446 -3.419) 7.694 6.483 ( -0.740 -0.427 3.448) 3.553 6.843 ( -2.531 -1.461 -3.926) 4.894 7.223 ( -0.279 -0.161 -8.095) 8.102 7.653 ( -9.467 -5.466 4.225) 11.720 8.597 ( -0.523 -0.302 8.306) 8.328 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -0.000 10.297 10.878) 14.978 1.561 ( -0.000 17.252 16.622) 23.957 2.263 ( -0.000 2.520 13.276) 13.513 3.538 ( 0.000 -0.278 -4.425) 4.434 3.699 ( 0.000 11.271 -3.167) 11.708 5.515 ( 0.000 -9.297 -7.313) 11.829 5.939 ( 0.000 0.586 -0.218) 0.625 6.336 ( 0.000 21.489 -5.844) 22.270 6.612 ( -0.000 -0.322 1.316) 1.355 6.712 ( 0.000 10.832 -2.785) 11.184 8.613 ( -0.000 -4.193 6.355) 7.614 9.417 ( 0.000 -8.730 -3.801) 9.522 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 3.820 14.439 8.814) 17.343 1.889 ( 7.197 8.512 20.174) 23.048 2.336 ( 3.491 14.621 -6.117) 16.229 3.588 ( 5.391 0.660 -4.538) 7.078 3.885 ( 8.079 13.880 2.609) 16.271 5.401 ( -2.033 -2.504 -4.244) 5.331 5.995 ( 3.814 1.862 -0.956) 4.351 6.530 ( 1.452 1.600 0.369) 2.192 6.712 ( 10.674 8.883 1.063) 13.927 6.834 ( 3.227 11.941 -7.668) 14.554 8.556 ( -2.608 -5.778 5.474) 8.375 9.204 ( -11.256 -11.630 -5.244) 17.013 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 5.101 8.955 7.568) 12.787 2.030 ( 1.878 11.242 10.942) 15.800 2.743 ( 20.502 22.439 -6.302) 31.042 3.669 ( 4.454 2.380 -5.701) 7.615 4.223 ( 13.768 11.825 3.793) 18.541 5.379 ( 1.291 0.834 -1.701) 2.292 6.083 ( 3.599 4.264 -1.847) 5.878 6.526 ( -0.146 -1.938 1.608) 2.522 6.862 ( 2.424 1.196 -1.621) 3.152 7.067 ( 9.243 9.295 -5.093) 14.062 8.488 ( -0.787 -4.215 6.166) 7.511 8.797 ( -19.264 -13.473 -5.024) 24.039 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.639 5.881 5.609) 8.904 2.351 ( 8.968 20.240 5.679) 22.855 3.299 ( 21.666 18.192 -2.710) 28.420 3.751 ( 4.272 3.379 -5.476) 7.724 4.555 ( 12.619 7.359 0.423) 14.614 5.433 ( 3.498 1.325 -0.296) 3.752 6.189 ( 3.867 6.056 -2.417) 7.581 6.515 ( -0.286 -0.714 2.326) 2.450 6.874 ( 0.283 -1.116 -2.423) 2.682 7.196 ( 2.306 1.868 -4.905) 5.733 8.282 ( -22.594 -9.753 -8.855) 26.154 8.517 ( 3.770 -5.214 13.379) 14.846 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 6.590 8.016 3.648) 11.000 2.711 ( 7.565 19.891 4.466) 21.744 3.771 ( 15.929 12.666 -2.329) 20.484 3.846 ( 4.832 4.306 -4.435) 7.847 4.776 ( 7.270 2.108 -1.463) 7.710 5.499 ( 4.023 -0.393 -0.691) 4.101 6.313 ( 4.136 6.811 -2.786) 8.441 6.516 ( -0.931 1.061 2.786) 3.123 6.844 ( -0.852 -2.073 -2.595) 3.429 7.203 ( 0.159 0.801 -5.622) 5.681 7.824 ( -17.023 -7.014 -1.789) 18.498 8.581 ( 3.338 -4.852 10.724) 12.235 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.000 15.219 2.959) 15.504 1.974 ( -0.000 7.318 16.512) 18.061 2.466 ( 0.000 22.471 -10.662) 24.872 3.540 ( -0.000 2.138 -0.011) 2.138 3.980 ( -0.000 16.359 3.779) 16.790 5.383 ( 0.000 -1.457 -3.139) 3.460 5.975 ( -0.000 2.851 1.156) 3.076 6.602 ( 0.000 -1.111 -0.134) 1.119 6.669 ( -0.000 12.689 3.248) 13.098 6.902 ( 0.000 10.808 -5.296) 12.035 8.519 ( -0.000 -9.459 5.338) 10.861 9.160 ( 0.000 -12.202 -9.161) 15.259 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.923 10.868 2.233) 11.261 2.097 ( 5.647 8.874 5.256) 11.758 2.747 ( 6.807 29.671 -7.203) 31.282 3.607 ( 3.782 3.074 -0.271) 4.881 4.208 ( 5.542 15.802 4.995) 17.475 5.373 ( 0.157 1.245 -0.896) 1.542 6.054 ( 4.064 4.163 0.890) 5.886 6.545 ( -3.031 0.129 -0.286) 3.047 6.828 ( 3.344 2.643 1.368) 4.477 7.029 ( 4.837 9.385 -1.307) 10.639 8.435 ( 0.723 -11.569 7.886) 14.020 8.911 ( -11.160 -10.844 -12.527) 19.976 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.119 6.294 1.142) 6.738 2.426 ( 10.630 20.989 2.160) 23.626 3.186 ( 13.997 24.868 -2.319) 28.630 3.703 ( 3.748 3.892 -1.836) 5.707 4.469 ( 7.420 11.087 1.901) 13.475 5.405 ( 1.478 1.866 0.607) 2.456 6.181 ( 4.389 6.189 0.047) 7.587 6.518 ( -0.368 0.602 -0.008) 0.705 6.854 ( -0.046 -1.064 -0.543) 1.196 7.164 ( 2.957 2.928 -0.800) 4.238 8.382 ( 2.001 -17.872 13.697) 22.606 8.534 ( -15.583 -1.769 -14.810) 21.570 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 5.325 8.957 1.824) 10.578 2.826 ( 8.644 24.045 2.838) 25.708 3.649 ( 14.895 18.320 -0.695) 23.621 3.799 ( 3.893 4.550 -2.722) 6.578 4.673 ( 6.918 5.045 -0.791) 8.599 5.442 ( 1.525 -0.496 -0.407) 1.654 6.316 ( 3.654 7.670 -1.114) 8.568 6.541 ( 0.810 2.204 1.175) 2.626 6.823 ( -0.721 -2.672 -1.029) 2.952 7.196 ( 0.300 0.970 -1.933) 2.184 8.038 ( -17.096 -10.754 -4.103) 20.609 8.479 ( 4.407 -5.689 7.294) 10.247 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 2.346 -1.877) 3.005 2.121 ( 0.000 17.619 -2.933) 17.861 2.977 ( 0.000 30.986 -5.483) 31.467 3.621 ( -0.000 4.550 4.134) 6.148 4.352 ( -0.000 17.286 5.776) 18.225 5.390 ( -0.000 2.601 0.443) 2.638 6.065 ( -0.000 5.073 2.270) 5.557 6.570 ( 0.000 -1.424 -1.634) 2.167 6.836 ( -0.000 2.926 2.314) 3.730 7.070 ( -0.000 6.468 2.927) 7.099 8.309 ( -0.000 -17.050 8.445) 19.027 8.867 ( 0.000 -7.176 -17.037) 18.487 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.282 6.103 -4.414) 7.640 2.399 ( 12.247 17.931 -3.562) 22.005 3.293 ( 4.530 27.657 -1.725) 28.078 3.703 ( 1.835 5.181 3.885) 6.731 4.539 ( 0.983 14.272 3.498) 14.728 5.424 ( -0.101 3.159 1.670) 3.575 6.166 ( 4.091 6.065 2.177) 7.633 6.536 ( -1.119 -0.123 -1.926) 2.230 6.854 ( -0.566 -0.428 1.374) 1.547 7.152 ( 2.047 2.387 3.794) 4.928 8.182 ( 2.970 -20.408 9.665) 22.775 8.678 ( -8.971 -1.901 -17.025) 19.338 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 7.263 -6.695) 9.878 2.439 ( 0.000 17.405 -4.830) 18.063 3.516 ( -0.000 24.972 0.235) 24.973 3.760 ( -0.000 5.895 5.350) 7.961 4.687 ( -0.000 12.659 2.757) 12.956 5.471 ( -0.000 4.174 2.425) 4.827 6.199 ( -0.000 6.662 3.042) 7.324 6.527 ( 0.000 -1.314 -2.877) 3.163 6.862 ( -0.000 -1.050 2.258) 2.490 7.169 ( -0.000 0.990 6.189) 6.267 7.977 ( -0.000 -20.499 5.673) 21.270 8.683 ( 0.000 -0.575 -15.919) 15.929 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 0.000 11.548) 11.548 1.419 ( -0.000 0.000 11.548) 11.548 2.347 ( -0.000 0.000 20.510) 20.510 3.539 ( 0.000 -0.000 -5.241) 5.241 3.539 ( 0.000 -0.000 -5.241) 5.241 5.683 ( 0.000 -0.000 -14.217) 14.217 5.940 ( 0.000 -0.000 -0.915) 0.915 5.940 ( 0.000 -0.000 -0.915) 0.915 6.616 ( -0.000 0.000 1.608) 1.608 6.616 ( -0.000 0.000 1.608) 1.608 8.677 ( -0.000 0.000 5.965) 5.965 9.506 ( 0.000 -0.000 -1.938) 1.938 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 6.036 3.485 9.941) 12.141 1.706 ( 18.817 10.864 9.995) 23.917 2.298 ( -7.656 -4.420 8.484) 12.253 3.562 ( 2.379 1.374 -5.804) 6.422 3.659 ( 12.074 6.971 0.369) 13.946 5.458 ( -7.178 -4.144 -5.308) 9.842 5.965 ( 1.845 1.065 -1.760) 2.763 6.322 ( 24.079 13.902 -5.993) 28.443 6.603 ( -1.180 -0.681 1.873) 2.317 6.698 ( 5.458 3.151 -0.345) 6.311 8.649 ( -3.784 -2.185 4.397) 6.198 9.382 ( -10.359 -5.981 -1.763) 12.091 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 11.772 6.797 7.566) 15.557 2.054 ( -3.847 -2.221 17.683) 18.232 2.348 ( 24.135 13.934 -8.714) 29.199 3.607 ( 3.359 1.940 -6.069) 7.203 4.011 ( 17.053 9.846 1.945) 19.787 5.366 ( -0.506 -0.292 -2.156) 2.234 6.014 ( 3.117 1.800 -2.476) 4.369 6.578 ( -1.615 -0.932 2.166) 2.858 6.789 ( 10.960 6.328 -8.686) 15.350 6.842 ( 12.888 7.441 1.112) 14.923 8.559 ( -4.650 -2.685 2.315) 5.847 9.048 ( -18.040 -10.416 0.803) 20.847 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.372 0.215 8.169) 8.180 2.076 ( 14.970 8.643 5.798) 18.232 2.955 ( 27.373 15.804 -1.094) 31.627 3.673 ( 4.279 2.470 -5.965) 7.746 4.389 ( 15.567 8.988 -1.214) 18.016 5.396 ( 3.084 1.781 -0.859) 3.663 6.091 ( 4.587 2.648 -2.889) 6.033 6.549 ( -1.556 -0.899 2.510) 3.087 6.864 ( 1.605 0.927 -3.044) 3.564 7.112 ( 7.396 4.270 -5.300) 10.051 8.402 ( -12.766 -7.371 -9.702) 17.647 8.697 ( -9.774 -5.643 16.185) 19.731 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -0.000 8.499 4.158) 9.462 1.699 ( -0.000 20.480 10.085) 22.828 2.351 ( -0.000 -7.283 4.234) 8.424 3.509 ( 0.000 0.806 -1.063) 1.334 3.677 ( 0.000 14.019 -1.370) 14.086 5.450 ( 0.000 -7.355 -4.877) 8.825 5.941 ( -0.000 1.066 0.576) 1.212 6.292 ( 0.000 24.287 -2.628) 24.429 6.620 ( -0.000 -0.679 0.250) 0.723 6.698 ( 0.000 7.312 -0.491) 7.328 8.662 ( -0.000 -4.503 3.180) 5.512 9.386 ( 0.000 -10.472 -2.252) 10.712 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 5.398 12.271 3.194) 13.781 2.078 ( 11.124 12.041 16.472) 23.239 2.242 ( -1.431 6.473 -11.787) 13.523 3.555 ( 2.960 1.963 -1.789) 3.977 3.907 ( 9.099 15.397 1.398) 17.939 5.368 ( -1.282 -1.721 -1.816) 2.812 5.988 ( 2.493 2.674 -0.338) 3.672 6.531 ( 2.203 3.137 -0.011) 3.833 6.720 ( 10.773 13.507 0.436) 17.282 6.783 ( 1.455 6.912 -2.410) 7.463 8.595 ( -2.616 -5.084 2.071) 6.081 9.166 ( -9.984 -14.484 -1.975) 17.702 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 6.865 8.624 3.084) 11.446 2.109 ( 0.614 7.087 3.601) 7.973 2.707 ( 22.311 22.791 0.076) 31.894 3.622 ( 2.987 3.397 -3.216) 5.551 4.239 ( 12.461 12.353 -0.841) 17.567 5.369 ( 1.565 1.373 -0.239) 2.095 6.066 ( 2.605 5.016 -1.443) 5.833 6.539 ( 0.767 -2.413 0.937) 2.700 6.844 ( 1.182 2.264 -1.789) 3.118 7.032 ( 8.046 9.890 -1.822) 12.879 8.500 ( -5.988 -2.447 -3.806) 7.506 8.807 ( -11.400 -16.802 6.916) 21.450 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 13.820 -2.649) 14.071 2.114 ( -0.000 -3.459 8.434) 9.116 2.344 ( 0.000 27.832 -10.543) 29.762 3.558 ( -0.000 3.230 3.471) 4.741 4.011 ( -0.000 18.633 1.824) 18.722 5.360 ( 0.000 -0.418 -1.039) 1.120 5.991 ( -0.000 3.222 1.929) 3.755 6.595 ( 0.000 -1.512 -1.191) 1.925 6.714 ( -0.000 14.094 5.796) 15.239 6.862 ( 0.000 11.794 -2.788) 12.119 8.559 ( -0.000 -7.395 2.202) 7.716 9.083 ( 0.000 -17.084 -5.837) 18.054 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 0.000 4.064) 4.064 1.499 ( -0.000 0.000 4.064) 4.064 2.490 ( -0.000 0.000 7.361) 7.361 3.501 ( 0.000 -0.000 -1.960) 1.960 3.501 ( 0.000 -0.000 -1.960) 1.960 5.581 ( 0.000 -0.000 -5.278) 5.278 5.934 ( 0.000 -0.000 -0.306) 0.306 5.934 ( 0.000 -0.000 -0.306) 0.306 6.627 ( -0.000 0.000 0.552) 0.552 6.627 ( -0.000 0.000 0.552) 0.552 8.718 ( -0.000 0.000 2.114) 2.114 9.491 ( 0.000 -0.000 -0.744) 0.744 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 6.332 3.656 3.224) 7.990 1.755 ( 19.955 11.521 -0.534) 23.048 2.356 ( -10.787 -6.228 2.847) 12.777 3.518 ( 1.658 0.957 -2.755) 3.355 3.667 ( 13.201 7.622 0.912) 15.270 5.426 ( -6.048 -3.492 -0.509) 7.002 5.950 ( 1.387 0.801 -1.239) 2.024 6.285 ( 22.560 13.025 -1.419) 26.089 6.617 ( -0.896 -0.517 0.844) 1.335 6.696 ( 5.292 3.055 -0.018) 6.110 8.675 ( -3.927 -2.267 0.674) 4.585 9.373 ( -10.032 -5.792 0.197) 11.586 =================== 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 3/40500 10.0 2036.179 2036.179 5358.176 0.000 -0.000 -0.000 3/40500 20.0 671.621 671.621 816.166 0.000 -0.000 -0.000 3/40500 30.0 239.582 239.582 187.153 0.000 -0.000 -0.000 3/40500 40.0 119.765 119.765 70.232 0.000 -0.000 -0.000 3/40500 50.0 73.817 73.817 36.806 0.000 -0.000 -0.000 3/40500 60.0 51.519 51.519 23.513 0.000 -0.000 -0.000 3/40500 70.0 39.008 39.008 16.962 0.000 -0.000 -0.000 3/40500 80.0 31.237 31.237 13.230 0.000 -0.000 -0.000 3/40500 90.0 26.031 26.031 10.872 0.000 -0.000 -0.000 3/40500 100.0 22.332 22.332 9.263 0.000 -0.000 -0.000 3/40500 110.0 19.582 19.582 8.098 0.000 -0.000 -0.000 3/40500 120.0 17.459 17.459 7.216 0.000 -0.000 -0.000 3/40500 130.0 15.771 15.771 6.524 0.000 -0.000 -0.000 3/40500 140.0 14.396 14.396 5.963 0.000 -0.000 -0.000 3/40500 150.0 13.253 13.253 5.500 0.000 -0.000 -0.000 3/40500 160.0 12.288 12.288 5.109 0.000 -0.000 -0.000 3/40500 170.0 11.460 11.460 4.774 0.000 -0.000 -0.000 3/40500 180.0 10.741 10.741 4.483 0.000 -0.000 -0.000 3/40500 190.0 10.112 10.112 4.228 0.000 -0.000 -0.000 3/40500 200.0 9.555 9.555 4.002 0.000 -0.000 -0.000 3/40500 210.0 9.059 9.059 3.800 0.000 -0.000 -0.000 3/40500 220.0 8.614 8.614 3.618 0.000 -0.000 -0.000 3/40500 230.0 8.212 8.212 3.454 0.000 -0.000 -0.000 3/40500 240.0 7.847 7.847 3.304 0.000 -0.000 -0.000 3/40500 250.0 7.514 7.514 3.168 0.000 -0.000 -0.000 3/40500 260.0 7.209 7.209 3.042 0.000 -0.000 -0.000 3/40500 270.0 6.928 6.928 2.927 0.000 -0.000 -0.000 3/40500 280.0 6.669 6.669 2.820 0.000 -0.000 -0.000 3/40500 290.0 6.429 6.429 2.721 0.000 -0.000 -0.000 3/40500 300.0 6.206 6.206 2.628 0.000 -0.000 -0.000 3/40500 310.0 5.999 5.999 2.542 0.000 -0.000 -0.000 3/40500 320.0 5.805 5.805 2.462 0.000 -0.000 -0.000 3/40500 330.0 5.623 5.623 2.386 0.000 -0.000 -0.000 3/40500 340.0 5.453 5.453 2.315 0.000 -0.000 -0.000 3/40500 350.0 5.293 5.293 2.248 0.000 -0.000 -0.000 3/40500 360.0 5.142 5.142 2.185 0.000 -0.000 -0.000 3/40500 370.0 5.000 5.000 2.126 0.000 -0.000 -0.000 3/40500 380.0 4.865 4.865 2.070 0.000 -0.000 -0.000 3/40500 390.0 4.738 4.738 2.016 0.000 -0.000 -0.000 3/40500 400.0 4.617 4.617 1.965 0.000 -0.000 -0.000 3/40500 410.0 4.502 4.502 1.917 0.000 -0.000 -0.000 3/40500 420.0 4.393 4.393 1.871 0.000 -0.000 -0.000 3/40500 430.0 4.289 4.289 1.828 0.000 -0.000 -0.000 3/40500 440.0 4.190 4.190 1.786 0.000 -0.000 -0.000 3/40500 450.0 4.095 4.095 1.746 0.000 -0.000 -0.000 3/40500 460.0 4.005 4.005 1.708 0.000 -0.000 -0.000 3/40500 470.0 3.919 3.919 1.672 0.000 -0.000 -0.000 3/40500 480.0 3.836 3.836 1.637 0.000 -0.000 -0.000 3/40500 490.0 3.757 3.757 1.603 0.000 -0.000 -0.000 3/40500 500.0 3.681 3.681 1.571 0.000 -0.000 -0.000 3/40500 510.0 3.608 3.608 1.541 0.000 -0.000 -0.000 3/40500 520.0 3.538 3.538 1.511 0.000 -0.000 -0.000 3/40500 530.0 3.470 3.470 1.482 0.000 -0.000 -0.000 3/40500 540.0 3.405 3.405 1.455 0.000 -0.000 -0.000 3/40500 550.0 3.343 3.343 1.428 0.000 -0.000 -0.000 3/40500 560.0 3.283 3.283 1.403 0.000 -0.000 -0.000 3/40500 570.0 3.225 3.225 1.378 0.000 -0.000 -0.000 3/40500 580.0 3.169 3.169 1.355 0.000 -0.000 -0.000 3/40500 590.0 3.114 3.114 1.332 0.000 -0.000 -0.000 3/40500 600.0 3.062 3.062 1.309 0.000 -0.000 -0.000 3/40500 610.0 3.012 3.012 1.288 0.000 -0.000 -0.000 3/40500 620.0 2.963 2.963 1.267 0.000 -0.000 -0.000 3/40500 630.0 2.915 2.915 1.247 0.000 -0.000 -0.000 3/40500 640.0 2.870 2.870 1.228 0.000 -0.000 -0.000 3/40500 650.0 2.825 2.825 1.209 0.000 -0.000 -0.000 3/40500 660.0 2.782 2.782 1.190 0.000 -0.000 -0.000 3/40500 670.0 2.740 2.740 1.173 0.000 -0.000 -0.000 3/40500 680.0 2.700 2.700 1.155 0.000 -0.000 -0.000 3/40500 690.0 2.660 2.660 1.139 0.000 -0.000 -0.000 3/40500 700.0 2.622 2.622 1.122 0.000 -0.000 -0.000 3/40500 710.0 2.585 2.585 1.107 0.000 -0.000 -0.000 3/40500 720.0 2.549 2.549 1.091 0.000 -0.000 -0.000 3/40500 730.0 2.514 2.514 1.076 0.000 -0.000 -0.000 3/40500 740.0 2.480 2.480 1.062 0.000 -0.000 -0.000 3/40500 750.0 2.447 2.447 1.048 0.000 -0.000 -0.000 3/40500 760.0 2.414 2.414 1.034 0.000 -0.000 -0.000 3/40500 770.0 2.383 2.383 1.021 0.000 -0.000 -0.000 3/40500 780.0 2.352 2.352 1.008 0.000 -0.000 -0.000 3/40500 790.0 2.322 2.322 0.995 0.000 -0.000 -0.000 3/40500 800.0 2.293 2.293 0.982 0.000 -0.000 -0.000 3/40500 810.0 2.265 2.265 0.970 0.000 -0.000 -0.000 3/40500 820.0 2.237 2.237 0.958 0.000 -0.000 -0.000 3/40500 830.0 2.210 2.210 0.947 0.000 -0.000 -0.000 3/40500 840.0 2.184 2.184 0.936 0.000 -0.000 -0.000 3/40500 850.0 2.158 2.158 0.925 0.000 -0.000 -0.000 3/40500 860.0 2.133 2.133 0.914 0.000 -0.000 -0.000 3/40500 870.0 2.108 2.108 0.903 0.000 -0.000 -0.000 3/40500 880.0 2.084 2.084 0.893 0.000 -0.000 -0.000 3/40500 890.0 2.061 2.061 0.883 0.000 -0.000 -0.000 3/40500 900.0 2.038 2.038 0.873 0.000 -0.000 -0.000 3/40500 910.0 2.015 2.015 0.864 0.000 -0.000 -0.000 3/40500 920.0 1.993 1.993 0.854 0.000 -0.000 -0.000 3/40500 930.0 1.972 1.972 0.845 0.000 -0.000 -0.000 3/40500 940.0 1.951 1.951 0.836 0.000 -0.000 -0.000 3/40500 950.0 1.930 1.930 0.827 0.000 -0.000 -0.000 3/40500 960.0 1.910 1.910 0.819 0.000 -0.000 -0.000 3/40500 970.0 1.890 1.890 0.810 0.000 -0.000 -0.000 3/40500 980.0 1.871 1.871 0.802 0.000 -0.000 -0.000 3/40500 990.0 1.852 1.852 0.794 0.000 -0.000 -0.000 3/40500 1000.0 1.834 1.834 0.786 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:39:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|