----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:11:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 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 1.940093943466381 1.120113760513475 6.580066809999994 b -1.940093943466377 1.120113760513475 6.580066809999994 c 0.000000000000002 -2.240227521026954 6.580066809999994 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.74164060181185 0.74164060181185 0.74164060181185 32.065 3 S 0.25835939818815 0.25835939818815 0.25835939818815 32.065 *4 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.880187886932759 0.000000000000000 0.000000000000000 b -1.940093943466379 3.360341281540430 0.000000000000000 c 0.000000000000000 0.000000000000000 19.740200430000002 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 0.66666666666667 0.33333333333333 0.07497393514518 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.25835939818815 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.40830726847851 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.59169273152149 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.74164060181185 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.92502606485482 32.065 > 3 *10 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 4 11 Tm 0.66666666666667 0.33333333333333 0.33333333333333 168.934 > 4 12 Tm 0.33333333333333 0.66666666666667 0.66666666666667 168.934 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.640563660798277 0.000000000000000 0.000000000000000 b -5.820281830399137 10.081023844621290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.740200430000002 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 0.22222222222222 0.11111111111111 0.07497393514518 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.07497393514518 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.07497393514518 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.07497393514518 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.07497393514518 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.07497393514518 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.07497393514518 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.07497393514518 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.07497393514518 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.25835939818815 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.25835939818815 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.25835939818815 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.25835939818815 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.25835939818815 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.25835939818815 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.25835939818815 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.25835939818815 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.25835939818815 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.40830726847851 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.40830726847851 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.40830726847851 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.40830726847851 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.40830726847851 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.40830726847851 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.40830726847851 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.40830726847851 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.40830726847851 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.59169273152149 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.59169273152149 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.59169273152149 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.59169273152149 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.59169273152149 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.59169273152149 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.59169273152149 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.59169273152149 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.59169273152149 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.74164060181185 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.74164060181185 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.74164060181185 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.74164060181185 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.74164060181185 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.74164060181185 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.74164060181185 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.74164060181185 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.74164060181185 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.92502606485482 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.92502606485482 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.92502606485482 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.92502606485482 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.92502606485482 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.92502606485482 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.92502606485482 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.92502606485482 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.92502606485482 32.065 > 3 *82 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 4 83 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 4 84 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 4 85 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 4 86 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 4 87 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 4 88 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 4 89 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 4 90 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 4 91 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 4 92 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 4 93 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 4 94 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 4 95 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 4 96 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 4 97 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 4 98 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 4 99 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 4 100 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 4 101 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 4 102 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 4 103 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 4 104 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 4 105 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 4 106 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 4 107 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 4 108 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0984383 0.0000000 0.0000000 0.0000000 6.0984383 0.0000000 0.0000000 0.0000000 4.4197090 -------------------------- Born effective charges -------------------------- 1 Na 1.0775980 0.0000000 0.0000000 0.0000000 1.0775980 0.0000000 0.0000000 0.0000000 1.6400268 2 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 3 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 4 Tm 4.3588383 0.0000000 0.0000000 0.0000000 4.3588383 0.0000000 0.0000000 0.0000000 1.9272653 ---------------------------------------------------------------------------- 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: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.116 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:11:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:11:53]------------------------- 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 1.940093943466381 1.120113760513475 6.580066809999994 b -1.940093943466377 1.120113760513475 6.580066809999994 c 0.000000000000002 -2.240227521026954 6.580066809999994 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74164060181185 0.74164060181185 0.74164060181185 32.065 3 S 0.25835939818815 0.25835939818815 0.25835939818815 32.065 4 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.640563660798277 0.000000000000000 0.000000000000000 b -5.820281830399137 10.081023844621290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.740200430000002 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 0.22222222222222 0.11111111111111 0.07497393514518 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07497393514518 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07497393514518 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07497393514518 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07497393514518 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07497393514518 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07497393514518 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07497393514518 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07497393514518 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25835939818815 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25835939818815 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25835939818815 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25835939818815 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25835939818815 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25835939818815 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25835939818815 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25835939818815 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25835939818815 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40830726847851 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40830726847851 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40830726847851 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40830726847851 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40830726847851 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40830726847851 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40830726847851 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40830726847851 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40830726847851 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59169273152149 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59169273152149 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59169273152149 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59169273152149 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59169273152149 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59169273152149 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59169273152149 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59169273152149 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59169273152149 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74164060181185 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74164060181185 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74164060181185 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74164060181185 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74164060181185 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74164060181185 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74164060181185 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74164060181185 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74164060181185 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92502606485482 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92502606485482 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92502606485482 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92502606485482 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92502606485482 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92502606485482 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92502606485482 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92502606485482 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92502606485482 32.065 > 37 82 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 82 83 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 82 84 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 82 85 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 82 86 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 82 87 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 82 88 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 82 89 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 82 90 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 82 91 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 82 92 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 82 93 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 82 94 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 82 95 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 82 96 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 82 97 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 82 98 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 82 99 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 82 100 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 82 101 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 82 102 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 82 103 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 82 104 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 82 105 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 82 106 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 82 107 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 82 108 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0984383 0.0000000 0.0000000 0.0000000 6.0984383 0.0000000 0.0000000 0.0000000 4.4197090 -------------------------- Born effective charges -------------------------- 1 Na 1.0775980 0.0000000 0.0000000 0.0000000 1.0775980 0.0000000 0.0000000 0.0000000 1.6400268 2 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 3 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 4 Tm 4.3588383 0.0000000 0.0000000 0.0000000 4.3588383 0.0000000 0.0000000 0.0000000 1.9272653 ---------------------------------------------------------------------------- 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 23:11:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:11:58]------------------------- 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 1.940093943466381 1.120113760513475 6.580066809999994 b -1.940093943466377 1.120113760513475 6.580066809999994 c 0.000000000000002 -2.240227521026954 6.580066809999994 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74164060181185 0.74164060181185 0.74164060181185 32.065 3 S 0.25835939818815 0.25835939818815 0.25835939818815 32.065 4 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.640563660798277 0.000000000000000 0.000000000000000 b -5.820281830399137 10.081023844621290 0.000000000000000 c 0.000000000000000 0.000000000000000 19.740200430000002 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 0.22222222222222 0.11111111111111 0.07497393514518 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07497393514518 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07497393514518 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07497393514518 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07497393514518 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07497393514518 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07497393514518 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07497393514518 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07497393514518 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25835939818815 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25835939818815 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25835939818815 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25835939818815 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25835939818815 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25835939818815 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25835939818815 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25835939818815 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25835939818815 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40830726847851 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40830726847851 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40830726847851 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40830726847851 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40830726847851 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40830726847851 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40830726847851 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40830726847851 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40830726847851 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59169273152149 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59169273152149 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59169273152149 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59169273152149 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59169273152149 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59169273152149 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59169273152149 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59169273152149 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59169273152149 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74164060181185 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74164060181185 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74164060181185 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74164060181185 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74164060181185 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74164060181185 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74164060181185 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74164060181185 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74164060181185 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92502606485482 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92502606485482 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92502606485482 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92502606485482 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92502606485482 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92502606485482 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92502606485482 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92502606485482 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92502606485482 32.065 > 37 82 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 82 83 Tm 0.33333333333333 0.00000000000000 0.00000000000000 168.934 > 82 84 Tm 0.66666666666667 0.00000000000000 0.00000000000000 168.934 > 82 85 Tm 0.00000000000000 0.33333333333333 0.00000000000000 168.934 > 82 86 Tm 0.33333333333333 0.33333333333333 0.00000000000000 168.934 > 82 87 Tm 0.66666666666667 0.33333333333333 0.00000000000000 168.934 > 82 88 Tm 0.00000000000000 0.66666666666667 0.00000000000000 168.934 > 82 89 Tm 0.33333333333333 0.66666666666667 0.00000000000000 168.934 > 82 90 Tm 0.66666666666667 0.66666666666667 0.00000000000000 168.934 > 82 91 Tm 0.22222222222222 0.11111111111111 0.33333333333333 168.934 > 82 92 Tm 0.55555555555556 0.11111111111111 0.33333333333333 168.934 > 82 93 Tm 0.88888888888889 0.11111111111111 0.33333333333333 168.934 > 82 94 Tm 0.22222222222222 0.44444444444444 0.33333333333333 168.934 > 82 95 Tm 0.55555555555556 0.44444444444444 0.33333333333333 168.934 > 82 96 Tm 0.88888888888889 0.44444444444444 0.33333333333333 168.934 > 82 97 Tm 0.22222222222222 0.77777777777778 0.33333333333333 168.934 > 82 98 Tm 0.55555555555556 0.77777777777778 0.33333333333333 168.934 > 82 99 Tm 0.88888888888889 0.77777777777778 0.33333333333333 168.934 > 82 100 Tm 0.11111111111111 0.22222222222222 0.66666666666667 168.934 > 82 101 Tm 0.44444444444444 0.22222222222222 0.66666666666667 168.934 > 82 102 Tm 0.77777777777778 0.22222222222222 0.66666666666667 168.934 > 82 103 Tm 0.11111111111111 0.55555555555556 0.66666666666667 168.934 > 82 104 Tm 0.44444444444444 0.55555555555556 0.66666666666667 168.934 > 82 105 Tm 0.77777777777778 0.55555555555556 0.66666666666667 168.934 > 82 106 Tm 0.11111111111111 0.88888888888889 0.66666666666667 168.934 > 82 107 Tm 0.44444444444444 0.88888888888889 0.66666666666667 168.934 > 82 108 Tm 0.77777777777778 0.88888888888889 0.66666666666667 168.934 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0984383 0.0000000 0.0000000 0.0000000 6.0984383 0.0000000 0.0000000 0.0000000 4.4197090 -------------------------- Born effective charges -------------------------- 1 Na 1.0775980 0.0000000 0.0000000 0.0000000 1.0775980 0.0000000 0.0000000 0.0000000 1.6400268 2 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 3 S -2.7182181 0.0000000 0.0000000 0.0000000 -2.7182181 0.0000000 0.0000000 0.0000000 -1.7836461 4 Tm 4.3588383 0.0000000 0.0000000 0.0000000 4.3588383 0.0000000 0.0000000 0.0000000 1.9272653 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.94, Number of G-points: 313, 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 3.647 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 6.688 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 8.422 ( 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| 0.492 ( 21.307 12.302 0.795) 24.616 0.497 ( 21.611 12.477 0.108) 24.955 0.957 ( 39.812 22.986 7.196) 46.531 3.656 ( 0.713 0.411 0.128) 0.833 3.728 ( 4.526 2.613 -1.165) 5.354 5.605 ( -2.877 -1.661 1.822) 3.789 5.769 ( 2.293 1.324 1.816) 3.211 6.677 ( -0.795 -0.459 -0.899) 1.285 6.715 ( 1.789 1.033 0.240) 2.080 7.316 ( 0.388 0.224 -11.571) 11.580 8.382 ( -3.506 -2.024 1.086) 4.192 9.213 ( -2.273 -1.312 -2.523) 3.641 ======================= 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| 0.978 ( 20.906 12.070 0.283) 24.142 0.986 ( 21.146 12.209 -1.307) 24.453 1.848 ( 35.701 20.612 3.567) 41.378 3.681 ( 1.399 0.808 0.264) 1.637 3.876 ( 8.656 4.998 -0.428) 10.005 5.520 ( -5.094 -2.941 2.823) 6.524 5.853 ( 4.046 2.336 3.442) 5.803 6.652 ( -0.740 -0.427 -1.927) 2.108 6.732 ( -1.362 -0.786 1.006) 1.867 7.316 ( 3.042 1.756 -5.917) 6.881 8.274 ( -6.174 -3.564 1.691) 7.327 9.117 ( -4.991 -2.881 -5.188) 7.754 ======================= 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| 1.442 ( 19.380 11.189 -0.479) 22.383 1.444 ( 19.114 11.035 -3.106) 22.288 2.586 ( 27.935 16.129 -1.823) 32.308 3.721 ( 2.005 1.158 0.416) 2.352 4.125 ( 12.816 7.400 2.394) 14.992 5.395 ( -6.743 -3.893 4.248) 8.869 5.969 ( 4.713 2.721 4.707) 7.195 6.640 ( 0.679 0.392 -3.036) 3.136 6.658 ( -4.616 -2.665 1.510) 5.539 7.415 ( 5.828 3.365 -1.517) 6.898 8.119 ( -7.713 -4.453 1.876) 9.101 8.954 ( -6.794 -3.922 -9.231) 12.114 ======================= 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| 1.824 ( 14.795 8.542 -4.692) 17.717 1.851 ( 16.285 9.402 -1.263) 18.846 3.110 ( 19.208 11.090 -4.897) 22.714 3.774 ( 2.380 1.374 0.550) 2.803 4.463 ( 14.891 8.597 4.063) 17.668 5.245 ( -7.673 -4.430 5.913) 10.652 6.090 ( 4.138 2.389 5.206) 7.066 6.573 ( -2.621 -1.513 2.459) 3.899 6.671 ( 3.057 1.765 -3.729) 5.135 7.519 ( 2.406 1.389 -0.294) 2.794 7.939 ( -8.628 -4.981 2.227) 10.209 8.773 ( -4.894 -2.825 -11.628) 12.929 ======================= 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| 2.079 ( 8.869 5.120 -5.112) 11.446 2.171 ( 11.943 6.896 -1.676) 13.893 3.471 ( 14.331 8.274 -2.991) 16.816 3.830 ( 2.294 1.325 0.571) 2.710 4.784 ( 11.194 6.463 1.497) 13.012 5.091 ( -7.518 -4.341 7.095) 11.212 6.189 ( 3.053 1.763 4.454) 5.680 6.577 ( 2.298 1.327 3.211) 4.165 6.751 ( 4.659 2.690 -3.345) 6.335 7.501 ( -3.132 -1.808 -2.794) 4.570 7.726 ( -10.789 -6.229 0.744) 12.480 8.693 ( 1.001 0.578 -8.060) 8.143 ======================= 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| 2.204 ( 3.712 2.143 -3.725) 5.679 2.384 ( 7.131 4.117 -1.416) 8.355 3.765 ( 11.720 6.766 0.061) 13.533 3.878 ( 1.644 0.949 0.417) 1.944 4.910 ( -4.098 -2.366 2.812) 5.504 5.008 ( 2.430 1.403 1.690) 3.276 6.259 ( 1.991 1.150 2.811) 3.632 6.696 ( 6.801 3.926 3.048) 8.424 6.846 ( 4.072 2.351 -2.133) 5.163 7.393 ( -5.296 -3.058 -0.862) 6.176 7.458 ( -11.010 -6.357 -4.650) 13.537 8.738 ( 3.560 2.056 -2.785) 4.966 ======================= 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| 2.243 ( 0.851 0.491 -1.297) 1.627 2.489 ( 2.353 1.358 -0.549) 2.772 3.905 ( 0.592 0.342 0.149) 0.700 3.980 ( 5.723 3.304 0.692) 6.644 4.799 ( -3.853 -2.224 1.816) 4.805 5.064 ( 1.298 0.749 -0.770) 1.685 6.297 ( 0.720 0.416 0.939) 1.254 6.890 ( 8.726 5.038 1.962) 10.265 6.908 ( 1.591 0.919 -0.711) 1.970 7.171 ( -10.642 -6.144 -0.391) 12.294 7.326 ( -1.554 -0.897 -3.086) 3.569 8.799 ( 1.664 0.961 -0.468) 1.978 ======================= 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| 0.537 ( 0.000 23.660 9.193) 25.383 0.543 ( 0.000 24.441 8.156) 25.766 0.956 ( 0.000 44.927 7.320) 45.520 3.652 ( -0.000 0.680 -0.609) 0.913 3.731 ( 0.000 5.565 -0.568) 5.594 5.599 ( -0.000 -4.127 0.780) 4.200 5.740 ( -0.000 1.485 -3.776) 4.057 6.694 ( 0.000 -0.241 2.332) 2.344 6.710 ( -0.000 1.826 -0.637) 1.934 7.256 ( -0.000 4.689 -21.491) 21.997 8.388 ( 0.000 -4.116 2.074) 4.609 9.223 ( -0.000 -1.343 -0.737) 1.532 ======================= 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| 0.831 ( 8.769 20.672 6.599) 23.405 0.940 ( 10.502 22.987 3.078) 25.459 1.630 ( 22.026 35.908 5.745) 42.515 3.674 ( 1.400 1.515 -0.363) 2.095 3.823 ( 3.722 7.376 -0.601) 8.284 5.534 ( -1.803 -6.115 1.703) 6.599 5.807 ( 5.417 2.389 -2.206) 6.318 6.669 ( -2.047 0.030 0.735) 2.175 6.737 ( 0.420 -0.285 0.583) 0.773 7.255 ( 2.508 2.901 -12.975) 13.530 8.317 ( -3.250 -5.737 2.549) 7.069 9.160 ( -4.435 -2.433 -2.136) 5.491 ======================= 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| 1.243 ( 14.595 17.004 2.196) 22.516 1.355 ( 12.107 19.468 0.593) 22.933 2.348 ( 22.721 26.399 0.422) 34.833 3.722 ( 1.337 3.249 -0.005) 3.513 4.014 ( 9.447 8.576 1.429) 12.839 5.432 ( -3.121 -7.386 3.099) 8.596 5.935 ( 5.712 3.950 0.587) 6.970 6.641 ( -1.190 0.199 -1.300) 1.774 6.701 ( -2.777 -2.648 1.469) 4.109 7.333 ( 6.027 4.136 -6.463) 9.757 8.187 ( -5.545 -6.617 2.554) 9.003 9.011 ( -7.531 -3.696 -6.056) 10.346 ======================= 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| 1.652 ( 14.330 13.544 -1.988) 19.818 1.736 ( 11.908 15.653 -0.265) 19.669 2.906 ( 17.828 17.241 -4.286) 25.168 3.782 ( 1.005 4.771 0.011) 4.876 4.322 ( 13.732 9.991 4.253) 17.506 5.304 ( -4.342 -7.868 4.605) 10.098 6.075 ( 4.566 4.731 3.041) 7.244 6.605 ( -1.669 -2.481 -0.290) 3.005 6.659 ( -0.784 2.774 -0.519) 2.929 7.462 ( 5.609 2.284 -2.687) 6.626 8.022 ( -6.713 -6.819 2.962) 10.017 8.806 ( -7.730 -3.961 -10.073) 13.301 ======================= 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| 1.960 ( 9.945 8.256 -4.691) 13.750 2.075 ( 10.482 13.595 -0.653) 17.179 3.295 ( 14.064 10.082 -3.931) 17.745 3.852 ( 0.783 6.392 -0.103) 6.440 4.665 ( 12.280 8.771 3.186) 15.424 5.164 ( -5.034 -7.597 6.132) 10.984 6.198 ( 2.652 4.874 4.520) 7.157 6.581 ( 0.279 0.870 1.675) 1.908 6.707 ( 2.412 4.312 -2.907) 5.733 7.508 ( -0.191 -1.148 -3.822) 3.996 7.836 ( -8.726 -7.132 3.274) 11.735 8.650 ( -1.579 -2.105 -9.698) 10.048 ======================= 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| 2.136 ( 5.655 3.949 -4.352) 8.156 2.343 ( 6.321 11.500 -1.299) 13.187 3.580 ( 12.020 3.652 -1.050) 12.606 3.940 ( 0.625 9.674 -0.417) 9.703 4.898 ( 5.506 4.237 -0.484) 6.964 5.031 ( -4.159 -6.121 6.998) 10.186 6.294 ( 0.613 5.758 4.281) 7.201 6.648 ( 4.084 3.784 1.833) 5.862 6.793 ( 3.690 3.606 -2.892) 5.915 7.433 ( -3.505 -1.904 -5.751) 6.999 7.588 ( -12.134 -7.474 1.029) 14.288 8.652 ( 5.046 -0.780 -4.387) 6.731 ======================= 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| 2.217 ( 2.449 1.583 -2.597) 3.905 2.508 ( 1.412 9.092 -0.898) 9.245 3.754 ( 7.844 -3.100 -0.169) 8.436 4.068 ( 0.672 13.242 -1.165) 13.310 4.856 ( -5.372 -4.269 1.873) 7.113 5.039 ( 2.614 0.191 2.229) 3.441 6.357 ( -1.973 6.707 2.659) 7.480 6.798 ( 7.511 4.507 0.668) 8.785 6.871 ( 3.161 1.426 -1.186) 3.665 7.292 ( -10.405 -6.377 -5.515) 13.392 7.363 ( -4.364 0.177 1.122) 4.509 8.728 ( 5.342 -1.867 -1.269) 5.799 ======================= 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| 2.246 ( 0.533 0.358 -0.411) 0.763 2.567 ( -3.417 6.472 0.145) 7.320 3.798 ( 3.464 -6.276 -1.182) 7.265 4.151 ( -5.569 9.967 -3.217) 11.862 4.769 ( -0.229 -1.177 -0.163) 1.210 5.072 ( 0.488 -0.902 3.903) 4.036 6.373 ( -4.330 6.183 0.502) 7.565 6.897 ( 1.609 -1.140 -0.471) 2.027 6.960 ( -1.503 -1.554 -0.522) 2.224 7.091 ( 0.988 2.285 -2.181) 3.309 7.345 ( -0.693 2.375 2.800) 3.736 8.766 ( 2.506 -3.888 -0.424) 4.645 ======================= 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| 2.239 ( -1.368 -1.038 1.743) 2.447 2.519 ( -8.243 3.532 1.245) 9.054 3.742 ( -0.872 -8.666 -2.465) 9.052 4.062 ( -10.875 6.217 -2.321) 12.740 4.825 ( 5.565 2.143 -3.626) 6.979 5.054 ( -3.206 -2.032 4.628) 5.986 6.335 ( -5.672 4.113 -1.660) 7.200 6.781 ( -8.503 -3.541 -2.676) 9.592 6.884 ( -1.731 -1.533 1.198) 2.604 7.300 ( 10.661 7.288 -2.007) 13.069 7.403 ( 3.073 2.390 6.895) 7.918 8.739 ( 0.008 -5.234 0.838) 5.301 ======================= 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| 2.175 ( -5.230 -3.115 3.378) 6.962 2.359 ( -13.128 0.114 1.831) 13.255 3.580 ( -7.044 -8.530 -1.037) 11.112 3.941 ( -8.569 4.582 -0.391) 9.724 4.902 ( -5.724 -1.944 -0.353) 6.056 4.973 ( 3.766 -0.155 -3.543) 5.173 6.255 ( -5.849 1.770 -3.374) 6.981 6.624 ( -5.770 -0.721 -2.862) 6.481 6.821 ( -4.445 -1.212 2.487) 5.235 7.471 ( 3.807 3.216 1.214) 5.129 7.591 ( 11.100 4.557 2.030) 12.169 8.698 ( 0.626 -4.029 4.592) 6.141 ======================= 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| 2.004 ( -11.767 -5.206 3.972) 13.466 2.086 ( -17.319 -3.022 1.373) 17.634 3.329 ( -13.870 -7.211 2.693) 15.863 3.852 ( -6.195 2.898 -0.192) 6.842 4.638 ( -15.533 -6.500 -1.914) 16.946 5.104 ( 9.124 1.461 -5.494) 10.750 6.153 ( -5.815 0.658 -4.190) 7.198 6.559 ( -0.917 1.292 -2.487) 2.948 6.738 ( -4.755 -0.663 3.132) 5.733 7.527 ( 0.200 -0.280 -0.162) 0.380 7.815 ( 9.941 3.354 -0.897) 10.530 8.744 ( 4.779 -0.026 8.707) 9.932 ======================= 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| 1.676 ( -20.046 -7.222 2.629) 21.468 1.744 ( -19.058 -3.328 1.229) 19.386 2.944 ( -24.550 -7.615 3.088) 25.888 3.780 ( -4.772 1.778 -0.331) 5.103 4.288 ( -15.333 -6.304 -2.452) 16.758 5.259 ( 9.287 0.803 -4.050) 10.163 6.039 ( -6.355 0.232 -3.911) 7.465 6.597 ( 3.855 1.834 -1.505) 4.527 6.677 ( -2.834 -0.075 2.712) 3.923 7.471 ( -4.049 -2.517 -0.950) 4.861 8.003 ( 9.136 2.480 -0.928) 9.512 8.898 ( 7.301 2.415 7.918) 11.038 ======================= 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| 1.237 ( -22.971 -6.336 0.975) 23.849 1.357 ( -23.173 -2.034 1.000) 23.284 2.345 ( -36.506 -7.222 0.078) 37.213 3.720 ( -3.453 0.698 -0.302) 3.535 4.006 ( -11.219 -3.306 -0.370) 11.702 5.404 ( 8.158 0.085 -2.163) 8.440 5.919 ( -6.183 -0.055 -2.427) 6.642 6.657 ( -0.491 0.036 1.765) 1.832 6.689 ( 4.421 1.094 -0.911) 4.645 7.370 ( -4.211 -1.551 0.650) 4.534 8.170 ( 8.211 1.527 -0.668) 8.379 9.063 ( 6.405 1.864 3.968) 7.762 ======================= 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| 0.797 ( -23.690 0.000 0.000) 23.690 0.925 ( -25.921 0.000 0.000) 25.921 1.599 ( -43.999 0.000 0.000) 43.999 3.676 ( -1.947 0.000 0.000) 1.947 3.826 ( -7.969 0.000 0.000) 7.969 5.525 ( 6.154 -0.000 -0.000) 6.154 5.819 ( -4.696 0.000 0.000) 4.696 6.665 ( 0.809 -0.000 -0.000) 0.809 6.734 ( 0.160 -0.000 -0.000) 0.160 7.324 ( -0.407 0.000 0.000) 0.407 8.304 ( 6.387 -0.000 -0.000) 6.387 9.171 ( 4.274 -0.000 -0.000) 4.274 ======================= 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| 1.056 ( 0.000 22.878 7.288) 24.011 1.073 ( 0.000 23.727 6.538) 24.611 1.862 ( 0.000 41.536 5.080) 41.845 3.667 ( -0.000 1.379 -1.048) 1.731 3.881 ( 0.000 9.643 -0.174) 9.644 5.490 ( -0.000 -7.089 0.295) 7.096 5.755 ( -0.000 3.391 -5.491) 6.454 6.710 ( -0.000 -2.234 -1.086) 2.484 6.711 ( 0.000 0.052 3.396) 3.397 7.224 ( -0.000 4.914 -13.334) 14.211 8.288 ( 0.000 -7.469 2.858) 7.997 9.174 ( -0.000 -3.201 -0.238) 3.210 ======================= 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| 1.313 ( 3.351 22.481 6.134) 23.543 1.400 ( 6.936 20.737 3.208) 22.100 2.366 ( 10.431 34.271 1.576) 35.858 3.711 ( 3.154 2.482 -0.629) 4.062 4.008 ( 3.090 11.345 0.691) 11.779 5.399 ( -1.563 -8.474 1.476) 8.742 5.846 ( 7.040 4.111 -4.206) 9.173 6.654 ( -1.591 -3.562 -1.107) 4.055 6.720 ( -0.750 -0.195 2.773) 2.879 7.269 ( 3.431 5.735 -9.520) 11.632 8.193 ( -2.810 -8.375 2.666) 9.227 9.084 ( -5.908 -3.789 -2.066) 7.316 ======================= 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| 1.632 ( 6.846 18.975 2.033) 20.274 1.731 ( 8.673 17.784 1.685) 19.858 2.840 ( 11.118 23.033 -3.371) 25.797 3.803 ( 3.022 4.783 -0.407) 5.672 4.241 ( 9.349 12.871 3.155) 16.218 5.284 ( -2.225 -9.380 3.059) 10.114 6.017 ( 7.968 4.923 -1.188) 9.441 6.589 ( -0.733 -3.700 -1.363) 4.010 6.719 ( -1.427 2.867 1.970) 3.760 7.373 ( 5.556 3.454 -5.842) 8.771 8.053 ( -4.548 -8.392 2.724) 9.926 8.894 ( -9.582 -4.038 -5.564) 11.793 ======================= 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| 1.900 ( 6.524 11.717 -2.383) 13.621 2.068 ( 8.970 17.663 1.473) 19.865 3.186 ( 10.181 13.290 -3.885) 17.187 3.902 ( 1.966 7.196 -0.734) 7.496 4.568 ( 11.432 11.922 3.093) 16.805 5.161 ( -2.686 -9.270 4.420) 10.615 6.190 ( 5.763 5.074 2.445) 8.059 6.567 ( 1.531 -0.424 -1.494) 2.180 6.748 ( -0.708 5.961 0.186) 6.006 7.453 ( 3.342 -0.737 -5.213) 6.236 7.897 ( -5.554 -7.817 3.903) 10.353 8.673 ( -7.850 -3.265 -7.676) 11.454 ======================= 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| 2.077 ( 5.023 6.325 -3.492) 8.800 2.376 ( 6.240 16.551 0.192) 17.689 3.442 ( 9.332 6.147 -0.850) 11.206 4.018 ( 2.101 10.175 -0.837) 10.424 4.839 ( 7.442 7.419 -0.108) 10.509 5.042 ( -3.036 -8.202 5.297) 10.225 6.332 ( 3.710 5.237 4.824) 8.029 6.623 ( 3.704 3.266 -1.817) 5.262 6.806 ( -0.185 6.922 -1.330) 7.051 7.429 ( -0.990 -2.804 -6.954) 7.563 7.714 ( -9.264 -7.079 3.530) 12.182 8.559 ( 0.806 -2.339 -4.867) 5.460 ======================= 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| 2.182 ( 3.073 3.220 -2.763) 5.239 2.601 ( 1.761 14.662 -0.370) 14.772 3.615 ( 6.824 0.361 0.690) 6.868 4.173 ( 2.436 13.226 -0.933) 13.481 4.907 ( -4.845 -3.720 0.898) 6.174 4.987 ( 4.019 -0.791 1.998) 4.557 6.457 ( 1.593 6.932 4.485) 8.409 6.733 ( 5.142 4.369 -2.243) 7.111 6.856 ( 0.006 4.108 -1.136) 4.263 7.342 ( -3.834 -2.331 -7.681) 8.896 7.489 ( -9.740 -3.255 3.203) 10.757 8.591 ( 6.039 -3.637 -1.300) 7.168 ======================= 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| 2.235 ( 1.303 1.512 -1.372) 2.422 2.722 ( -3.225 12.311 0.173) 12.728 3.686 ( 3.394 -3.541 -0.618) 4.944 4.318 ( -1.713 12.811 -3.458) 13.380 4.781 ( -3.854 -3.634 0.076) 5.297 5.046 ( 3.045 -1.514 4.249) 5.442 6.530 ( -3.575 7.932 1.510) 8.830 6.839 ( 3.719 0.452 -1.886) 4.194 6.914 ( 4.256 2.001 0.724) 4.758 7.175 ( -8.575 -0.159 -4.084) 9.499 7.406 ( -2.292 2.449 2.219) 4.022 8.644 ( 5.352 -6.007 -0.516) 8.062 ======================= 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| 2.250 ( -0.239 0.167 0.080) 0.302 2.733 ( -8.324 9.297 1.247) 12.541 3.663 ( 0.322 -5.915 -2.831) 6.565 4.294 ( -9.780 7.027 -5.205) 13.119 4.758 ( 2.799 0.640 -1.415) 3.201 5.086 ( 0.396 -1.290 6.996) 7.125 6.492 ( -7.287 4.183 -1.879) 8.610 6.880 ( -0.995 -1.248 1.480) 2.177 6.895 ( -4.604 -0.028 -0.973) 4.706 7.198 ( 7.276 7.538 -1.469) 10.579 7.425 ( -0.098 2.774 3.740) 4.657 8.645 ( 3.187 -7.752 -0.394) 8.391 ======================= 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| 2.225 ( -2.530 -1.314 1.294) 3.131 2.625 ( -13.472 5.303 1.898) 14.602 3.571 ( -2.365 -6.257 -3.374) 7.492 4.155 ( -10.434 4.547 -2.414) 11.635 4.836 ( 5.402 1.456 -3.600) 6.653 5.049 ( -6.215 -1.814 5.459) 8.468 6.376 ( -7.348 0.647 -3.042) 7.979 6.742 ( -8.109 0.621 -1.217) 8.223 6.897 ( -3.031 2.427 2.391) 4.560 7.420 ( 8.849 6.334 -3.725) 11.502 7.485 ( 3.862 1.065 6.285) 7.453 8.620 ( 3.130 -6.924 1.381) 7.723 ======================= 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| 2.135 ( -6.819 -2.439 1.825) 7.469 2.390 ( -18.065 1.227 1.497) 18.168 3.440 ( -6.034 -4.630 -0.967) 7.667 4.023 ( -9.032 3.552 -0.340) 9.711 4.851 ( -14.032 -2.637 0.647) 14.292 4.951 ( 7.162 0.113 -2.754) 7.674 6.252 ( -6.110 0.055 -2.757) 6.704 6.626 ( -5.787 1.502 -1.409) 6.142 6.845 ( -6.064 1.929 2.211) 6.736 7.514 ( 1.316 0.707 -0.308) 1.525 7.664 ( 10.377 2.058 0.354) 10.586 8.657 ( 6.234 -2.868 4.200) 8.046 ======================= 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| 1.943 ( -13.923 -2.375 1.507) 14.204 2.057 ( -20.296 -0.703 0.451) 20.313 3.240 ( -14.138 -2.747 1.061) 14.442 3.910 ( -7.508 2.113 0.095) 7.800 4.525 ( -18.471 -3.159 -0.870) 18.760 5.090 ( 9.236 0.138 -2.110) 9.475 6.145 ( -6.074 0.383 -1.776) 6.340 6.576 ( -0.751 1.011 -0.927) 1.564 6.759 ( -5.604 0.656 1.427) 5.820 7.502 ( -2.006 -1.070 -0.779) 2.403 7.853 ( 9.945 1.023 -0.243) 10.000 8.794 ( 8.688 0.255 3.760) 9.470 ======================= 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| 1.609 ( -22.381 0.000 0.000) 22.381 1.717 ( -19.617 0.000 0.000) 19.617 2.875 ( -27.161 0.000 0.000) 27.161 3.805 ( -5.795 0.000 0.000) 5.795 4.210 ( -15.146 0.000 0.000) 15.146 5.249 ( 9.333 -0.000 -0.000) 9.333 6.031 ( -6.889 0.000 0.000) 6.889 6.612 ( 4.077 -0.000 -0.000) 4.077 6.689 ( -2.999 0.000 0.000) 2.999 7.437 ( -4.218 0.000 0.000) 4.218 8.024 ( 9.363 -0.000 -0.000) 9.363 8.953 ( 8.210 -0.000 -0.000) 8.210 ======================= 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| 1.533 ( 0.000 20.853 4.637) 21.362 1.557 ( 0.000 20.930 4.033) 21.315 2.636 ( 0.000 33.222 0.668) 33.228 3.693 ( -0.000 2.106 -1.189) 2.419 4.114 ( 0.000 13.845 1.365) 13.912 5.327 ( -0.000 -9.437 0.810) 9.472 5.811 ( -0.000 5.847 -4.355) 7.291 6.611 ( -0.000 -5.882 -1.226) 6.009 6.741 ( 0.000 0.816 2.743) 2.862 7.270 ( -0.000 6.400 -9.120) 11.142 8.137 ( -0.000 -9.251 2.309) 9.535 9.093 ( -0.000 -4.427 -1.133) 4.569 ======================= 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| 1.770 ( 1.222 18.595 2.458) 18.796 1.796 ( 5.308 18.231 2.634) 19.170 2.952 ( 2.854 24.120 -3.106) 24.486 3.762 ( 5.043 3.140 -0.859) 6.003 4.295 ( 2.986 16.655 2.943) 17.175 5.224 ( -1.068 -9.969 2.034) 10.230 5.928 ( 6.886 6.639 -2.428) 9.868 6.549 ( -0.138 -4.761 -0.801) 4.829 6.760 ( 0.116 1.896 1.827) 2.636 7.320 ( 2.404 4.332 -7.435) 8.934 8.032 ( -2.235 -9.100 2.070) 9.596 8.984 ( -6.524 -4.540 -2.684) 8.389 ======================= 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| 1.946 ( 1.877 11.931 -1.175) 12.135 2.112 ( 8.113 18.661 2.712) 20.528 3.187 ( 4.309 14.252 -4.041) 15.427 3.895 ( 5.631 4.801 -1.111) 7.483 4.560 ( 6.455 16.337 2.650) 17.764 5.115 ( -1.432 -9.198 3.527) 9.954 6.128 ( 8.059 6.552 0.855) 10.421 6.524 ( 1.583 -1.307 -1.290) 2.424 6.803 ( 0.987 4.228 0.626) 4.387 7.369 ( 2.946 0.013 -6.590) 7.218 7.904 ( -3.356 -8.094 2.795) 9.197 8.781 ( -10.030 -3.842 -4.485) 11.640 ======================= 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| 2.071 ( 2.523 7.311 -2.490) 8.125 2.439 ( 7.386 17.910 1.718) 19.449 3.373 ( 6.098 7.184 -1.033) 9.480 4.042 ( 5.278 7.212 -1.025) 8.996 4.804 ( 5.594 8.792 -0.767) 10.449 5.026 ( -1.890 -5.211 4.405) 7.081 6.314 ( 5.601 5.005 4.478) 8.745 6.576 ( 4.083 3.077 -3.161) 6.011 6.878 ( 0.933 6.794 -0.752) 6.899 7.365 ( 1.494 -3.572 -7.179) 8.157 7.775 ( -4.711 -6.887 3.703) 9.129 8.575 ( -7.129 -2.639 -3.903) 8.545 ======================= 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| 2.164 ( 2.428 4.357 -2.253) 5.473 2.715 ( 3.867 16.808 0.685) 17.260 3.524 ( 5.746 1.895 1.661) 6.274 4.222 ( 5.824 10.139 -0.097) 11.693 4.893 ( 2.962 -5.433 1.896) 6.472 4.980 ( -3.599 3.825 -1.725) 5.528 6.463 ( 4.905 4.357 5.060) 8.285 6.682 ( 4.607 4.383 -3.525) 7.271 6.935 ( -2.122 6.044 -1.730) 6.635 7.327 ( 0.767 -1.616 -7.014) 7.238 7.619 ( -7.838 -4.524 2.880) 9.497 8.484 ( 0.597 -3.343 -0.835) 3.497 ======================= 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| 2.226 ( 1.511 2.524 -1.398) 3.257 2.902 ( -1.000 15.089 0.486) 15.130 3.606 ( 3.067 -2.017 1.252) 3.878 4.425 ( 3.726 12.217 -0.628) 12.788 4.827 ( -5.087 -4.193 0.864) 6.649 4.973 ( 2.866 -1.485 -0.864) 3.341 6.601 ( 3.568 4.863 2.054) 6.371 6.777 ( 3.613 1.142 -1.508) 4.078 6.919 ( -2.419 2.341 -1.369) 3.634 7.304 ( -3.998 4.352 -4.998) 7.740 7.484 ( -4.573 0.069 2.360) 5.147 8.489 ( 4.427 -6.205 0.426) 7.634 ======================= 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| 2.256 ( 0.239 1.162 -0.531) 1.300 2.979 ( -6.494 12.450 1.327) 14.104 3.599 ( 0.263 -4.702 -1.332) 4.894 4.503 ( -7.775 8.195 -5.332) 12.492 4.729 ( -0.024 -1.006 -0.340) 1.062 5.043 ( 5.581 -2.030 5.573) 8.144 6.620 ( -5.080 0.908 -3.534) 6.254 6.855 ( 4.735 1.058 4.564) 6.661 6.922 ( 0.493 -0.013 -1.247) 1.341 7.265 ( -4.775 9.785 -2.380) 11.145 7.471 ( -0.830 2.328 1.783) 3.048 8.492 ( 4.288 -8.541 -0.168) 9.559 ======================= 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| 2.253 ( -1.249 0.012 0.164) 1.260 2.925 ( -12.499 7.977 1.952) 14.956 3.532 ( -0.940 -4.952 -3.127) 5.932 4.361 ( -10.561 2.974 -3.673) 11.570 4.768 ( 3.042 1.151 -1.520) 3.590 5.114 ( 0.455 -0.459 5.569) 5.607 6.488 ( -7.304 -1.346 -2.889) 7.969 6.857 ( -4.837 -0.787 0.257) 4.908 6.977 ( 1.266 4.379 2.973) 5.442 7.346 ( 3.686 8.487 -2.817) 9.672 7.486 ( -0.035 0.680 3.088) 3.162 8.478 ( 4.401 -7.847 -0.187) 8.999 ======================= 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| 2.211 ( -3.571 -0.607 0.462) 3.651 2.722 ( -17.352 2.650 1.106) 17.588 3.463 ( -1.857 -2.518 -1.730) 3.575 4.205 ( -9.300 1.631 -1.034) 9.498 4.838 ( 4.865 0.503 -1.459) 5.103 5.053 ( -8.835 -0.642 2.393) 9.176 6.347 ( -6.599 -0.800 -1.515) 6.817 6.748 ( -6.871 0.186 -0.218) 6.877 6.989 ( -5.572 3.400 1.540) 6.707 7.490 ( 3.713 3.410 -4.470) 6.738 7.522 ( 6.029 -0.953 4.530) 7.601 8.516 ( 6.854 -3.468 0.883) 7.732 ======================= 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| 2.115 ( -7.552 0.000 0.000) 7.552 2.410 ( -20.094 0.000 0.000) 20.094 3.390 ( -5.568 0.000 0.000) 5.568 4.060 ( -8.520 0.000 0.000) 8.520 4.825 ( -16.804 0.000 0.000) 16.804 4.942 ( 7.409 -0.000 -0.000) 7.409 6.239 ( -5.449 0.000 0.000) 5.449 6.638 ( -5.577 0.000 0.000) 5.577 6.885 ( -7.699 0.000 0.000) 7.699 7.513 ( 0.048 -0.000 -0.000) 0.048 7.685 ( 10.051 -0.000 -0.000) 10.051 8.643 ( 8.997 -0.000 -0.000) 8.997 ======================= 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| 1.935 ( 0.000 15.004 0.506) 15.013 1.935 ( 0.000 17.096 1.840) 17.195 3.141 ( 0.000 18.720 -4.811) 19.329 3.735 ( -0.000 2.875 -0.898) 3.012 4.464 ( 0.000 19.106 4.050) 19.531 5.142 ( -0.000 -9.486 2.518) 9.814 5.933 ( 0.000 8.281 -1.222) 8.371 6.504 ( -0.000 -3.760 0.023) 3.760 6.776 ( 0.000 1.408 0.795) 1.617 7.316 ( -0.000 3.147 -7.464) 8.101 7.967 ( -0.000 -8.730 1.569) 8.870 8.987 ( -0.000 -4.991 -2.417) 5.545 ======================= 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| 2.043 ( -0.786 9.997 -1.836) 10.195 2.167 ( 6.510 15.827 1.328) 17.165 3.270 ( 0.069 11.380 -5.105) 12.473 3.820 ( 5.924 3.322 -1.085) 6.878 4.675 ( 1.453 16.284 2.819) 16.590 5.069 ( -0.720 -5.269 4.539) 6.992 6.077 ( 6.213 8.630 0.988) 10.680 6.487 ( 1.010 -0.941 0.161) 1.390 6.807 ( 1.734 1.995 -0.273) 2.657 7.316 ( 0.736 -0.030 -7.218) 7.255 7.877 ( -1.627 -7.503 1.749) 7.874 8.873 ( -6.230 -4.598 -3.164) 8.364 ======================= 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| 2.107 ( 0.366 6.049 -2.820) 6.684 2.467 ( 9.486 15.045 1.287) 17.832 3.362 ( 2.482 5.966 -2.037) 6.775 3.973 ( 7.915 3.877 -1.471) 8.935 4.799 ( 1.567 1.609 -0.727) 2.361 5.075 ( -1.701 7.121 5.525) 9.172 6.282 ( 6.386 6.884 4.041) 10.223 6.532 ( 3.470 3.245 -1.868) 5.105 6.881 ( 4.064 3.396 -0.980) 5.386 7.284 ( 0.481 -3.585 -7.206) 8.063 7.780 ( -2.553 -6.131 2.358) 7.047 8.685 ( -8.966 -3.178 -2.960) 9.962 ======================= 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| 2.164 ( 1.608 3.882 -2.251) 4.766 2.777 ( 8.338 14.767 0.895) 16.982 3.460 ( 4.391 1.644 1.488) 4.919 4.162 ( 9.497 5.209 -0.601) 10.848 4.799 ( 1.862 -4.829 -0.169) 5.179 5.119 ( -5.472 8.651 0.583) 10.253 6.440 ( 4.279 4.290 5.059) 7.894 6.643 ( 4.300 5.422 -3.230) 7.637 6.987 ( 2.438 4.509 -1.847) 5.448 7.238 ( 2.953 -3.900 -6.341) 8.009 7.679 ( -3.939 -4.759 2.102) 6.525 8.513 ( -6.607 -2.046 -0.870) 6.971 ======================= 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| 2.220 ( 1.694 2.550 -1.263) 3.312 3.032 ( 3.875 14.270 0.258) 14.789 3.538 ( 3.484 -2.015 2.735) 4.867 4.401 ( 10.665 7.304 1.159) 12.979 4.789 ( 2.686 -5.141 1.102) 5.904 5.040 ( -9.570 3.424 -3.950) 10.905 6.569 ( 4.787 3.851 2.347) 6.576 6.734 ( 2.431 1.845 -1.369) 3.345 6.986 ( -3.255 0.803 -2.518) 4.192 7.313 ( 6.219 3.777 -4.138) 8.371 7.571 ( -4.954 -1.866 1.344) 5.462 8.415 ( -2.020 -3.515 1.101) 4.201 ======================= 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| 2.259 ( 0.785 1.407 -0.533) 1.697 3.187 ( -1.882 12.851 0.633) 13.003 3.544 ( 0.578 -5.148 0.931) 5.264 4.635 ( 4.349 8.855 -0.235) 9.868 4.767 ( -5.295 -1.703 -0.159) 5.564 4.914 ( 2.697 -3.787 -0.744) 4.709 6.664 ( -0.315 2.082 -4.040) 4.556 6.771 ( 4.864 -1.700 4.328) 6.729 6.941 ( -1.947 1.174 -1.067) 2.512 7.422 ( -0.553 8.027 -2.695) 8.485 7.505 ( -1.605 0.680 1.066) 2.043 8.364 ( 0.963 -6.132 0.932) 6.277 ======================= 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| 2.270 ( -0.432 0.432 -0.116) 0.622 3.206 ( -9.566 8.216 1.578) 12.708 3.484 ( -0.062 -5.133 -1.521) 5.354 4.565 ( -12.137 1.552 -2.505) 12.490 4.737 ( 1.718 1.175 -0.533) 2.148 5.043 ( 8.854 -0.897 2.904) 9.361 6.582 ( -5.998 -0.993 -2.022) 6.407 6.905 ( 3.774 -0.103 4.823) 6.125 6.917 ( 2.139 0.929 -2.764) 3.617 7.445 ( -3.159 7.581 -1.524) 8.353 7.508 ( -1.080 -0.055 1.182) 1.602 8.339 ( 3.132 -5.266 0.005) 6.127 ======================= 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| 2.253 ( -1.715 0.000 0.000) 1.715 3.025 ( -15.306 0.000 0.000) 15.306 3.459 ( -0.021 0.000 0.000) 0.021 4.376 ( -10.185 0.000 0.000) 10.185 4.775 ( 2.597 -0.000 -0.000) 2.597 5.130 ( 0.407 -0.000 -0.000) 0.407 6.458 ( -7.063 0.000 0.000) 7.063 6.850 ( -4.844 0.000 0.000) 4.844 7.037 ( 3.618 -0.000 -0.000) 3.618 7.456 ( -0.557 0.000 0.000) 0.557 7.483 ( 0.461 -0.000 -0.000) 0.461 8.387 ( 5.537 -0.000 -0.000) 5.537 ======================= 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| 2.139 ( -0.000 6.566 -3.575) 7.476 2.230 ( 0.000 12.060 -0.281) 12.064 3.344 ( -0.000 6.765 -5.896) 8.974 3.795 ( 0.000 3.428 -0.243) 3.437 4.780 ( 0.000 3.414 0.968) 3.549 5.108 ( 0.000 9.010 7.507) 11.727 6.116 ( 0.000 9.546 2.197) 9.796 6.479 ( 0.000 0.907 1.212) 1.514 6.800 ( -0.000 1.092 -1.625) 1.958 7.280 ( -0.000 -1.655 -7.127) 7.316 7.827 ( -0.000 -6.256 1.337) 6.398 8.868 ( -0.000 -4.879 -3.160) 5.813 ======================= 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| 2.151 ( -1.151 3.290 -4.163) 5.430 2.425 ( 9.035 9.946 -0.578) 13.450 3.377 ( 0.520 3.303 -3.526) 4.859 3.879 ( 5.518 3.124 -0.638) 6.372 4.770 ( 0.169 -3.857 0.093) 3.862 5.249 ( -2.156 14.882 6.729) 16.475 6.270 ( 5.078 8.683 3.919) 10.796 6.518 ( 1.755 3.663 0.453) 4.087 6.827 ( 3.092 0.769 -2.250) 3.901 7.227 ( -0.478 -3.710 -6.768) 7.733 7.764 ( -1.321 -4.947 1.362) 5.299 8.765 ( -5.125 -3.960 -2.894) 7.094 ======================= 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| 2.163 ( 1.092 1.997 -2.955) 3.730 2.713 ( 12.871 9.236 -0.105) 15.842 3.416 ( 2.498 0.798 -0.126) 2.626 4.029 ( 8.935 2.624 -0.998) 9.365 4.736 ( 0.608 -3.830 -0.085) 3.879 5.330 ( -6.214 11.159 3.157) 13.157 6.438 ( 3.641 5.354 5.034) 8.201 6.621 ( 4.089 6.528 -1.986) 7.954 6.917 ( 7.265 1.070 -1.503) 7.495 7.149 ( -0.573 -4.914 -5.981) 7.761 7.693 ( -2.372 -3.847 1.166) 4.668 8.617 ( -7.156 -2.133 -1.461) 7.609 ======================= 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| 2.204 ( 2.186 1.529 -1.380) 3.004 3.021 ( 11.528 9.166 -0.232) 14.730 3.469 ( 3.170 -1.581 2.157) 4.148 4.237 ( 12.728 2.579 -0.131) 12.987 4.717 ( 1.109 -2.819 -0.128) 3.032 5.266 ( -11.316 5.480 -0.519) 12.583 6.546 ( 3.076 3.523 2.742) 5.421 6.722 ( 1.515 3.450 -1.288) 3.982 7.015 ( -0.430 -0.032 -2.373) 2.412 7.157 ( 10.887 -0.785 -2.801) 11.269 7.618 ( -2.968 -2.223 0.568) 3.752 8.480 ( -6.584 -1.148 0.311) 6.691 ======================= 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| 2.248 ( 1.718 0.833 -0.410) 1.953 3.264 ( 6.514 8.416 -0.673) 10.663 3.486 ( 0.705 -4.183 2.016) 4.697 4.516 ( 15.775 3.101 1.019) 16.109 4.715 ( 1.615 -2.320 -0.089) 2.828 5.064 ( -14.658 1.134 -1.867) 14.820 6.647 ( 4.399 3.153 -0.601) 5.446 6.727 ( -1.186 -1.873 0.943) 2.409 6.980 ( -1.736 0.307 -1.085) 2.070 7.365 ( 10.563 2.165 -1.198) 10.849 7.558 ( -2.695 -0.135 0.070) 2.700 8.368 ( -5.029 -1.630 0.770) 5.342 ======================= 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| 2.272 ( 0.587 -0.000 -0.000) 0.587 3.405 ( -5.981 0.000 0.000) 5.981 3.410 ( 3.681 -0.000 -0.000) 3.681 4.717 ( 0.523 -0.000 -0.000) 0.523 4.806 ( -14.201 0.000 0.000) 14.201 4.823 ( 15.617 -0.000 -0.000) 15.617 6.661 ( -4.032 0.000 0.000) 4.032 6.774 ( 7.626 -0.000 -0.000) 7.626 6.950 ( -1.926 0.000 0.000) 1.926 7.504 ( 3.543 -0.000 -0.000) 3.543 7.519 ( -2.098 0.000 0.000) 2.098 8.297 ( -1.497 0.000 0.000) 1.497 ======================= 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| 2.164 ( -0.000 0.017 -5.255) 5.255 2.411 ( 0.000 6.785 -1.099) 6.874 3.380 ( -0.000 0.928 -3.381) 3.506 3.861 ( 0.000 3.001 0.244) 3.011 4.728 ( -0.000 -3.998 0.295) 4.009 5.443 ( 0.000 14.141 6.290) 15.477 6.325 ( 0.000 8.710 4.422) 9.768 6.547 ( 0.000 4.436 1.587) 4.711 6.791 ( -0.000 -0.379 -3.609) 3.629 7.171 ( -0.000 -4.238 -5.834) 7.211 7.737 ( -0.000 -3.710 0.912) 3.821 8.759 ( -0.000 -3.854 -2.736) 4.726 ======================= 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| 2.145 ( 0.675 -0.321 -3.558) 3.636 2.561 ( 10.608 4.560 -0.890) 11.581 3.384 ( 1.324 -0.142 -1.416) 1.943 3.930 ( 4.745 2.059 -0.103) 5.174 4.697 ( 0.223 -2.631 0.117) 2.643 5.545 ( -4.448 9.674 3.946) 11.355 6.453 ( 3.074 6.212 4.682) 8.364 6.620 ( 2.726 5.815 0.223) 6.426 6.802 ( 3.990 -1.569 -2.956) 5.208 7.103 ( -0.970 -4.200 -4.582) 6.291 7.696 ( -1.362 -2.587 0.617) 2.988 8.684 ( -3.760 -2.422 -1.734) 4.797 ======================= 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| 2.166 ( 2.528 0.257 -1.268) 2.840 2.833 ( 15.780 3.090 -0.305) 16.083 3.414 ( 2.565 -0.478 0.260) 2.622 4.061 ( 8.992 0.975 -0.299) 9.050 4.685 ( 0.515 -1.223 -0.024) 1.327 5.501 ( -9.557 4.175 1.114) 10.488 6.546 ( 1.674 2.440 2.358) 3.784 6.733 ( 1.862 4.642 -0.846) 5.073 6.906 ( 11.541 -1.175 -0.278) 11.604 7.034 ( -1.021 -2.758 -2.894) 4.126 7.645 ( -2.286 -1.332 0.259) 2.658 8.582 ( -5.759 -0.758 -0.399) 5.822 ======================= 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| 2.213 ( 2.636 -0.000 -0.000) 2.636 3.117 ( 14.075 -0.000 -0.000) 14.075 3.453 ( 1.884 -0.000 -0.000) 1.884 4.262 ( 13.898 -0.000 -0.000) 13.898 4.689 ( 0.706 -0.000 -0.000) 0.706 5.319 ( -13.635 0.000 0.000) 13.635 6.597 ( 2.789 -0.000 -0.000) 2.789 6.750 ( -1.324 0.000 0.000) 1.324 6.998 ( -0.846 0.000 0.000) 0.846 7.145 ( 14.694 -0.000 -0.000) 14.694 7.598 ( -2.429 0.000 0.000) 2.429 8.470 ( -6.664 0.000 0.000) 6.664 ======================= 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| 2.117 ( -0.000 -0.998 -2.469) 2.663 2.492 ( 0.000 2.138 -0.552) 2.208 3.364 ( -0.000 -0.409 -0.980) 1.062 3.907 ( 0.000 1.209 0.176) 1.222 4.676 ( -0.000 -1.300 0.080) 1.303 5.673 ( 0.000 5.312 2.397) 5.827 6.495 ( 0.000 4.713 3.577) 5.917 6.642 ( 0.000 3.078 0.946) 3.220 6.742 ( -0.000 -1.560 -3.218) 3.577 7.065 ( -0.000 -2.709 -2.541) 3.715 7.691 ( -0.000 -1.292 0.287) 1.324 8.690 ( -0.000 -1.536 -1.093) 1.886 ======================= 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| 2.124 ( 1.821 -0.000 -0.000) 1.821 2.602 ( 11.067 -0.000 -0.000) 11.067 3.375 ( 1.634 -0.000 -0.000) 1.634 3.951 ( 4.425 -0.000 -0.000) 4.425 4.672 ( 0.268 -0.000 -0.000) 0.268 5.657 ( -5.335 0.000 0.000) 5.335 6.542 ( 1.200 -0.000 -0.000) 1.200 6.718 ( 7.111 -0.000 -0.000) 7.111 6.739 ( 1.239 -0.000 -0.000) 1.239 7.036 ( -1.088 0.000 0.000) 1.088 7.672 ( -1.420 0.000 0.000) 1.420 8.653 ( -3.111 0.000 0.000) 3.111 ======================= 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| 0.241 ( 0.000 0.000 23.533) 23.533 0.241 ( 0.000 0.000 23.533) 23.533 0.389 ( 0.000 0.000 38.091) 38.091 3.645 ( -0.000 -0.000 -0.511) 0.511 3.645 ( -0.000 -0.000 -0.511) 0.511 5.728 ( -0.000 -0.000 -2.213) 2.213 5.728 ( -0.000 -0.000 -2.213) 2.213 6.348 ( -0.000 -0.000 -5.467) 5.467 6.697 ( 0.000 0.000 1.617) 1.617 6.697 ( 0.000 0.000 1.617) 1.617 8.439 ( 0.000 0.000 3.276) 3.276 9.189 ( -0.000 -0.000 -0.813) 0.813 ======================= 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| 0.551 ( 17.466 10.084 10.292) 22.642 0.560 ( 16.540 9.549 12.221) 22.674 1.081 ( 34.722 20.047 15.933) 43.143 3.654 ( 0.847 0.489 -0.407) 1.059 3.712 ( 4.902 2.830 -1.730) 5.919 5.625 ( -2.881 -1.663 1.658) 3.717 5.776 ( 3.409 1.968 -0.568) 3.977 6.676 ( -1.467 -0.847 0.820) 1.882 6.713 ( 2.882 1.664 -1.096) 3.503 7.078 ( 13.495 7.791 -29.901) 33.718 8.408 ( -3.672 -2.120 3.907) 5.766 9.182 ( -2.539 -1.466 -3.255) 4.380 ======================= 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| 0.998 ( 18.634 10.758 3.934) 21.874 1.003 ( 19.256 11.118 4.527) 22.691 1.896 ( 32.248 18.619 5.437) 37.632 3.681 ( 1.546 0.892 -0.274) 1.806 3.876 ( 9.719 5.611 0.540) 11.235 5.547 ( -4.542 -2.622 2.246) 5.705 5.876 ( 5.109 2.950 1.064) 5.995 6.641 ( -1.526 -0.881 -0.229) 1.777 6.743 ( -1.210 -0.699 1.155) 1.813 7.208 ( 8.121 4.689 -14.652) 17.396 8.303 ( -6.488 -3.746 3.817) 8.409 9.060 ( -6.573 -3.795 -5.955) 9.647 ======================= 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| 1.421 ( 17.509 10.109 -1.207) 20.254 1.448 ( 18.364 10.603 1.544) 21.261 2.565 ( 25.489 14.716 -2.445) 29.534 3.723 ( 2.160 1.247 -0.087) 2.496 4.160 ( 13.995 8.080 4.399) 16.748 5.436 ( -5.934 -3.426 3.594) 7.738 6.008 ( 5.624 3.247 2.795) 7.070 6.616 ( -0.130 -0.075 -1.704) 1.710 6.673 ( -4.273 -2.467 1.351) 5.115 7.376 ( 8.523 4.921 -6.025) 11.539 8.148 ( -7.835 -4.524 3.865) 9.839 8.853 ( -8.476 -4.894 -10.412) 14.290 ======================= 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| 1.776 ( 14.013 8.091 -4.541) 16.806 1.843 ( 15.682 9.054 -0.345) 18.111 3.057 ( 19.153 11.058 -5.404) 22.767 3.777 ( 2.507 1.447 0.126) 2.898 4.512 ( 14.280 8.244 5.479) 17.376 5.304 ( -6.820 -3.937 5.470) 9.588 6.139 ( 4.495 2.595 4.447) 6.835 6.597 ( -2.176 -1.256 2.243) 3.368 6.635 ( 2.674 1.544 -3.329) 4.541 7.496 ( 2.359 1.362 -4.109) 4.930 7.975 ( -8.943 -5.163 4.663) 11.331 8.650 ( -4.376 -2.526 -12.544) 13.524 ======================= 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| 2.024 ( 9.109 5.259 -5.573) 11.904 2.156 ( 11.767 6.794 -1.265) 13.646 3.433 ( 15.568 8.988 -4.290) 18.481 3.834 ( 2.341 1.351 0.267) 2.716 4.805 ( 9.304 5.372 2.562) 11.045 5.165 ( -7.055 -4.073 7.313) 10.947 6.237 ( 2.581 1.490 4.877) 5.716 6.607 ( 2.412 1.393 2.571) 3.791 6.714 ( 5.018 2.897 -3.862) 6.963 7.455 ( -3.428 -1.979 -5.928) 7.128 7.741 ( -12.495 -7.214 1.969) 14.562 8.614 ( 3.689 2.130 -7.212) 8.376 ======================= 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| 2.162 ( 4.722 2.727 -4.343) 6.971 2.370 ( 7.342 4.239 -1.216) 8.564 3.744 ( 12.461 7.194 -4.105) 14.963 3.882 ( 1.600 0.924 0.269) 1.867 4.916 ( -1.460 -0.843 -0.822) 1.875 5.066 ( -1.926 -1.112 8.624) 8.906 6.293 ( 1.107 0.639 3.831) 4.039 6.720 ( 6.545 3.779 1.696) 7.745 6.819 ( 4.779 2.759 -3.024) 6.293 7.345 ( -4.192 -2.420 -7.544) 8.963 7.451 ( -11.871 -6.854 2.206) 13.884 8.710 ( 4.976 2.873 -2.613) 6.312 ======================= 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| 2.226 ( 2.084 1.203 -2.060) 3.168 2.484 ( 2.792 1.612 -0.468) 3.258 3.907 ( 0.482 0.279 0.132) 0.572 3.945 ( 5.803 3.351 -7.123) 9.780 4.810 ( -4.496 -2.596 0.079) 5.192 5.099 ( 0.520 0.300 7.411) 7.435 6.313 ( -0.270 -0.156 2.216) 2.238 6.896 ( 2.359 1.362 -1.725) 3.224 6.903 ( 8.493 4.903 0.748) 9.835 7.132 ( -9.821 -5.670 -6.757) 13.200 7.336 ( -0.838 -0.484 4.563) 4.664 8.790 ( 2.185 1.261 -1.255) 2.818 ======================= 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| 2.252 ( 0.405 0.234 0.404) 0.618 2.495 ( -1.893 -1.093 0.537) 2.250 3.904 ( -0.734 -0.424 -0.143) 0.859 3.932 ( -4.327 -2.498 -8.456) 9.822 4.779 ( 2.201 1.271 -1.990) 3.228 5.109 ( -2.243 -1.295 7.598) 8.027 6.294 ( -1.758 -1.015 0.410) 2.071 6.861 ( -9.178 -5.299 -3.776) 11.250 6.910 ( -0.804 -0.464 -0.333) 0.986 7.157 ( 10.693 6.174 -2.126) 12.529 7.383 ( 2.957 1.707 7.201) 7.970 8.799 ( -0.929 -0.536 -0.385) 1.140 ======================= 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| 2.236 ( -2.654 -1.532 2.684) 4.074 2.398 ( -6.843 -3.951 1.378) 8.021 3.742 ( -9.340 -5.392 -4.527) 11.696 3.873 ( -1.762 -1.017 -0.501) 2.095 4.865 ( 5.285 3.052 -5.087) 7.945 5.029 ( -6.647 -3.838 4.847) 9.078 6.237 ( -3.036 -1.753 -1.561) 3.838 6.660 ( -6.759 -3.902 -3.928) 8.737 6.862 ( -3.287 -1.898 1.131) 3.960 7.384 ( 8.431 4.868 -1.819) 9.904 7.521 ( 7.160 4.134 6.607) 10.584 8.765 ( -1.693 -0.977 2.487) 3.163 ======================= 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| 2.125 ( -8.467 -4.888 3.947) 10.543 2.189 ( -11.934 -6.890 1.808) 13.898 3.491 ( -12.201 -7.044 0.859) 14.114 3.823 ( -2.321 -1.340 -0.785) 2.792 4.775 ( -12.867 -7.429 -0.211) 14.859 5.026 ( 7.109 4.105 -5.467) 9.863 6.148 ( -3.901 -2.252 -3.543) 5.731 6.543 ( -2.000 -1.155 -3.328) 4.051 6.781 ( -4.053 -2.340 2.532) 5.321 7.507 ( 2.869 1.656 -1.481) 3.629 7.730 ( 8.963 5.175 1.611) 10.474 8.772 ( 1.390 0.803 7.292) 7.467 ======================= 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| 1.867 ( -16.498 -9.525 1.963) 19.151 1.868 ( -15.013 -8.668 3.950) 17.780 3.153 ( -19.079 -11.015 3.545) 22.313 3.766 ( -2.311 -1.334 -0.874) 2.808 4.432 ( -15.321 -8.845 -2.118) 17.817 5.189 ( 8.203 4.736 -5.083) 10.750 6.037 ( -4.429 -2.557 -5.036) 7.177 6.549 ( 3.047 1.759 -2.384) 4.250 6.708 ( -2.936 -1.695 3.443) 4.832 7.503 ( -2.353 -1.359 -3.340) 4.306 7.929 ( 8.234 4.754 0.044) 9.508 8.880 ( 5.116 2.954 9.139) 10.883 ======================= 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| 1.457 ( -19.659 -11.350 2.399) 22.826 1.480 ( -19.575 -11.301 3.728) 22.908 2.604 ( -29.699 -17.147 1.783) 34.340 3.715 ( -1.891 -1.092 -0.817) 2.331 4.109 ( -11.887 -6.863 -0.827) 13.751 5.355 ( 7.370 4.255 -3.411) 9.169 5.917 ( -4.365 -2.520 -5.514) 7.470 6.642 ( 4.932 2.847 -1.619) 5.920 6.674 ( -1.040 -0.600 3.527) 3.726 7.406 ( -4.283 -2.473 -3.251) 5.918 8.110 ( 7.534 4.350 0.019) 8.700 9.035 ( 5.519 3.187 6.625) 9.193 ======================= 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| 0.998 ( -21.067 -12.163 4.016) 24.655 1.017 ( -21.547 -12.440 4.473) 25.280 1.832 ( -37.156 -21.452 0.670) 42.909 3.676 ( -1.276 -0.737 -0.713) 1.637 3.881 ( -8.207 -4.738 0.325) 9.482 5.496 ( 5.593 3.229 -1.622) 6.659 5.809 ( -3.278 -1.892 -4.987) 6.260 6.678 ( 0.185 0.107 3.022) 3.029 6.721 ( 1.625 0.938 -1.068) 2.159 7.320 ( -1.573 -0.908 -4.962) 5.284 8.270 ( 6.126 3.537 0.752) 7.114 9.160 ( 3.751 2.166 3.020) 5.280 ======================= 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| 0.650 ( 0.000 21.183 12.819) 24.760 0.661 ( 0.000 19.438 14.459) 24.226 1.092 ( 0.000 36.511 18.256) 40.820 3.644 ( -0.000 0.577 -1.017) 1.169 3.720 ( 0.000 6.297 -1.465) 6.466 5.615 ( 0.000 -5.403 1.955) 5.746 5.696 ( -0.000 0.700 -4.881) 4.931 6.700 ( -0.000 2.746 -1.861) 3.317 6.722 ( 0.000 0.162 3.145) 3.149 6.973 ( -0.000 18.623 -29.658) 35.020 8.422 ( 0.000 -4.442 4.644) 6.427 9.203 ( -0.000 0.076 -2.891) 2.892 ======================= 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| 0.925 ( 5.847 18.506 11.634) 22.628 0.989 ( 8.069 21.596 6.654) 23.995 1.706 ( 19.729 31.700 8.683) 38.335 3.669 ( 1.794 1.481 -0.710) 2.432 3.817 ( 4.140 8.015 -0.371) 9.029 5.553 ( -1.230 -6.206 1.672) 6.544 5.777 ( 7.871 1.196 -3.515) 8.702 6.678 ( -2.785 -0.061 1.011) 2.963 6.747 ( 0.493 0.005 1.484) 1.564 7.083 ( 6.004 8.869 -19.879) 22.580 8.354 ( -3.430 -6.257 4.522) 8.448 9.129 ( -5.999 -1.898 -3.860) 7.382 ======================= 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| 1.282 ( 11.245 16.216 5.432) 20.468 1.371 ( 10.696 18.884 2.676) 21.868 2.349 ( 20.171 23.934 -0.331) 31.302 3.720 ( 1.470 3.272 -0.470) 3.618 4.037 ( 10.980 9.175 3.164) 14.654 5.462 ( -2.456 -7.061 2.512) 7.887 5.932 ( 8.116 3.097 -1.113) 8.757 6.633 ( -2.128 -0.567 -0.221) 2.213 6.717 ( -2.798 -1.960 1.535) 3.745 7.245 ( 9.229 6.920 -10.396) 15.529 8.221 ( -5.607 -7.083 4.163) 9.947 8.943 ( -9.997 -3.435 -7.332) 12.864 ======================= 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| 1.637 ( 11.548 12.931 -0.922) 17.361 1.740 ( 11.235 15.973 1.100) 19.560 2.859 ( 17.011 16.801 -5.019) 24.431 3.780 ( 1.182 4.613 -0.421) 4.780 4.373 ( 14.182 9.577 5.613) 18.010 5.349 ( -3.449 -7.540 3.981) 9.198 6.099 ( 6.521 4.446 1.547) 8.042 6.595 ( -0.453 -1.861 -1.104) 2.211 6.665 ( -2.753 2.041 1.188) 3.627 7.418 ( 6.804 2.716 -5.834) 9.365 8.063 ( -6.300 -7.017 4.973) 10.662 8.698 ( -9.554 -3.063 -11.015) 14.900 ======================= 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| 1.912 ( 9.018 8.562 -4.478) 13.217 2.072 ( 9.595 13.825 0.074) 16.829 3.252 ( 14.685 11.428 -4.421) 19.125 3.849 ( 0.975 5.995 -0.408) 6.087 4.701 ( 11.209 7.181 3.840) 13.855 5.225 ( -4.080 -7.567 5.742) 10.338 6.242 ( 3.477 4.869 4.087) 7.246 6.590 ( 1.717 -0.079 -0.006) 1.719 6.683 ( 0.808 4.849 -1.485) 5.136 7.454 ( -0.563 -1.763 -6.556) 6.812 7.876 ( -9.989 -7.646 4.233) 13.273 8.554 ( 0.004 0.084 -8.912) 8.912 ======================= 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| 2.089 ( 5.869 4.822 -4.626) 8.894 2.333 ( 5.953 11.726 -0.662) 13.168 3.559 ( 12.246 5.503 -2.898) 13.735 3.933 ( 0.593 9.002 -0.926) 9.068 4.896 ( 4.059 2.571 0.017) 4.805 5.107 ( -3.141 -6.484 7.810) 10.626 6.340 ( 0.101 5.627 4.713) 7.341 6.658 ( 4.770 2.506 0.002) 5.388 6.765 ( 3.531 4.444 -2.474) 6.191 7.364 ( -3.521 -2.495 -7.621) 8.758 7.605 ( -12.752 -6.910 2.042) 14.647 8.612 ( 6.565 0.668 -3.361) 7.406 ======================= 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| 2.188 ( 3.218 2.471 -3.131) 5.125 2.501 ( 1.547 9.445 -0.443) 9.581 3.738 ( 7.492 -2.002 -2.911) 8.283 4.042 ( -0.286 12.629 -3.564) 13.126 4.858 ( -4.753 -3.735 -1.266) 6.176 5.099 ( 2.226 -1.742 9.102) 9.531 6.388 ( -2.950 6.190 3.415) 7.660 6.793 ( 7.311 2.745 -1.685) 7.989 6.862 ( 4.117 3.342 -0.515) 5.328 7.215 ( -8.101 -4.350 -8.423) 12.470 7.399 ( -5.468 -1.103 4.887) 7.416 8.714 ( 5.700 -1.298 -1.528) 6.043 ======================= 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| 2.237 ( 1.557 1.005 -1.210) 2.214 2.570 ( -3.094 6.943 0.410) 7.612 3.773 ( 3.070 -6.160 -4.080) 8.001 4.097 ( -5.566 10.170 -6.662) 13.372 4.764 ( -1.010 -1.539 -0.883) 2.042 5.145 ( 0.354 -1.556 9.789) 9.918 6.383 ( -5.201 5.181 1.481) 7.489 6.887 ( 2.658 -0.318 -1.516) 3.076 6.948 ( -5.712 -3.658 -2.133) 7.111 7.058 ( 4.933 5.548 -3.415) 8.172 7.392 ( 0.540 1.849 5.963) 6.266 8.758 ( 2.813 -3.576 -1.225) 4.711 ======================= 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| 2.252 ( -0.217 -0.750 0.657) 1.020 2.533 ( -7.993 4.007 1.409) 9.052 3.703 ( -0.793 -8.202 -5.298) 9.796 4.028 ( -8.794 6.850 -4.037) 11.856 4.790 ( 3.974 1.614 -3.163) 5.330 5.121 ( -4.775 -2.850 8.266) 9.962 6.324 ( -6.384 2.947 -0.471) 7.047 6.747 ( -8.755 -2.682 -3.701) 9.876 6.892 ( -1.257 -0.651 0.437) 1.482 7.277 ( 9.895 6.892 -2.290) 12.274 7.475 ( 4.170 2.016 7.001) 8.395 8.745 ( 1.295 -4.667 0.254) 4.850 ======================= 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| 2.202 ( -4.270 -3.306 1.936) 5.736 2.380 ( -13.115 0.286 2.099) 13.285 3.559 ( -4.955 -7.646 -3.001) 9.593 3.932 ( -7.805 4.825 -1.180) 9.251 4.875 ( 1.838 1.105 -4.333) 4.835 4.977 ( -7.023 -3.909 3.632) 8.820 6.227 ( -6.535 1.137 -2.084) 6.953 6.593 ( -5.951 -0.004 -3.181) 6.748 6.842 ( -3.962 -0.657 1.658) 4.345 7.459 ( 5.085 3.810 -2.988) 7.021 7.627 ( 8.379 2.624 4.383) 9.813 8.742 ( 3.022 -3.336 3.900) 5.955 ======================= 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| 2.037 ( -10.952 -5.618 2.458) 12.552 2.103 ( -17.692 -3.535 2.104) 18.164 3.347 ( -11.880 -7.141 0.738) 13.880 3.848 ( -6.353 3.268 -0.498) 7.162 4.627 ( -16.929 -6.832 -0.334) 18.259 5.056 ( 8.723 2.279 -3.758) 9.768 6.115 ( -6.599 0.983 -3.314) 7.449 6.533 ( -0.767 1.810 -2.568) 3.235 6.768 ( -4.340 -0.706 2.645) 5.132 7.505 ( -0.241 0.047 -3.833) 3.840 7.818 ( 9.180 2.731 1.287) 9.664 8.822 ( 6.323 -0.699 6.418) 9.036 ======================= 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| 1.705 ( -20.328 -8.063 3.159) 22.096 1.759 ( -18.378 -4.161 1.558) 18.907 2.967 ( -24.608 -8.523 1.426) 26.081 3.776 ( -4.974 2.111 -0.511) 5.428 4.272 ( -15.194 -5.880 -0.647) 16.305 5.226 ( 9.348 2.042 -2.354) 9.854 5.998 ( -6.948 1.602 -4.084) 8.217 6.579 ( 4.067 2.348 -1.858) 5.050 6.708 ( -2.637 -0.864 3.087) 4.151 7.445 ( -3.805 -1.322 -4.140) 5.776 8.002 ( 8.936 2.361 0.639) 9.264 8.963 ( 7.367 0.164 4.764) 8.775 ======================= 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| 1.262 ( -22.600 -7.801 3.837) 24.214 1.373 ( -22.629 -3.348 2.112) 22.972 2.351 ( -36.788 -7.726 1.157) 37.608 3.716 ( -3.539 1.065 -0.480) 3.727 4.005 ( -10.926 -3.112 0.091) 11.361 5.392 ( 8.186 1.567 -0.248) 8.338 5.887 ( -6.478 2.428 -3.782) 7.884 6.664 ( 2.182 -0.207 -0.675) 2.294 6.694 ( 1.894 0.465 2.133) 2.890 7.346 ( -4.331 -0.330 -5.262) 6.823 8.173 ( 8.247 1.560 1.195) 8.478 9.089 ( 6.214 -0.943 1.108) 6.382 ======================= 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| 1.140 ( 0.000 20.433 8.976) 22.318 1.151 ( 0.000 21.434 8.840) 23.186 1.927 ( 0.000 37.553 7.161) 38.230 3.655 ( -0.000 1.349 -1.262) 1.847 3.879 ( 0.000 10.320 -0.065) 10.321 5.499 ( -0.000 -7.419 1.340) 7.539 5.701 ( -0.000 3.476 -5.026) 6.111 6.701 ( -0.000 -2.682 -0.716) 2.776 6.745 ( 0.000 -0.017 3.172) 3.172 7.066 ( -0.000 10.390 -17.066) 19.980 8.325 ( 0.000 -8.265 4.367) 9.348 9.155 ( -0.000 -2.518 -3.411) 4.240 ======================= 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| 1.384 ( 2.582 20.312 7.832) 21.923 1.439 ( 5.556 19.424 4.325) 20.661 2.378 ( 8.474 31.438 0.527) 32.564 3.703 ( 3.544 2.472 -0.847) 4.403 4.021 ( 3.850 12.135 1.996) 12.886 5.418 ( -0.877 -8.485 2.041) 8.771 5.805 ( 8.071 4.412 -3.626) 9.887 6.644 ( -1.503 -4.164 -0.605) 4.468 6.747 ( -1.074 0.014 2.336) 2.571 7.161 ( 4.937 8.899 -11.441) 15.312 8.226 ( -2.793 -9.183 3.760) 10.309 9.048 ( -7.279 -3.224 -4.994) 9.398 ======================= 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| 1.655 ( 4.485 16.815 2.451) 17.575 1.755 ( 8.235 18.137 2.997) 20.143 2.799 ( 10.110 22.219 -4.744) 24.867 3.796 ( 3.030 4.644 -0.867) 5.613 4.280 ( 10.131 12.685 4.543) 16.858 5.317 ( -1.570 -9.211 3.198) 9.876 6.005 ( 9.557 5.477 -1.127) 11.072 6.579 ( -0.909 -3.744 -0.490) 3.884 6.737 ( -1.830 2.467 1.428) 3.387 7.305 ( 6.808 4.368 -7.331) 10.916 8.087 ( -4.039 -8.892 3.886) 10.511 8.827 ( -11.484 -3.049 -7.641) 14.127 ======================= 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| 1.877 ( 5.117 11.309 -2.130) 12.595 2.087 ( 8.041 17.801 2.219) 19.658 3.144 ( 10.863 14.591 -4.319) 18.697 3.893 ( 2.042 6.984 -1.016) 7.347 4.602 ( 10.904 10.134 3.351) 15.258 5.207 ( -2.014 -9.247 4.457) 10.461 6.213 ( 7.375 6.030 2.116) 9.758 6.552 ( 1.326 -1.160 -1.243) 2.157 6.751 ( -1.386 5.516 0.246) 5.692 7.391 ( 3.205 -1.156 -6.926) 7.719 7.943 ( -5.106 -8.255 4.934) 10.888 8.591 ( -8.328 -1.168 -8.289) 11.808 ======================= 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| 2.042 ( 4.616 6.980 -3.421) 9.041 2.382 ( 5.400 16.656 0.961) 17.536 3.429 ( 9.947 8.009 -1.652) 12.877 4.007 ( 2.039 10.198 -1.212) 10.471 4.840 ( 6.645 5.402 0.284) 8.568 5.095 ( -2.312 -8.850 5.235) 10.539 6.382 ( 4.049 5.784 4.932) 8.613 6.598 ( 4.191 2.130 -2.887) 5.517 6.796 ( -0.681 6.839 -0.721) 6.911 7.353 ( -1.194 -3.032 -7.910) 8.555 7.748 ( -10.195 -7.229 3.103) 12.877 8.514 ( 2.255 -0.312 -3.788) 4.420 ======================= 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| 2.153 ( 3.239 4.111 -2.880) 5.974 2.601 ( 1.457 14.923 0.450) 15.000 3.614 ( 6.228 1.565 -0.898) 6.484 4.155 ( 1.526 13.553 -2.496) 13.865 4.895 ( -3.778 -1.807 -2.449) 4.852 5.039 ( 4.047 -5.041 7.181) 9.662 6.501 ( 0.672 6.475 4.160) 7.725 6.705 ( 5.541 3.734 -3.104) 7.368 6.849 ( 0.638 4.413 -0.232) 4.465 7.262 ( -3.900 -1.593 -8.109) 9.138 7.522 ( -9.089 -3.174 3.373) 10.201 8.579 ( 6.312 -2.687 -0.956) 6.926 ======================= 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| 2.219 ( 1.753 2.235 -1.771) 3.347 2.728 ( -3.097 12.743 0.894) 13.144 3.670 ( 2.193 -3.027 -2.416) 4.450 4.267 ( -3.428 12.664 -6.110) 14.472 4.774 ( -3.453 -3.335 -1.259) 4.963 5.115 ( 4.594 -2.802 8.781) 10.299 6.542 ( -4.505 5.993 0.854) 7.546 6.823 ( 4.650 2.665 -1.278) 5.510 6.921 ( 4.098 0.893 0.732) 4.257 7.124 ( -7.375 2.084 -5.789) 9.605 7.439 ( -1.924 1.395 4.068) 4.711 8.636 ( 5.084 -5.603 -0.917) 7.621 ======================= 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| 2.247 ( 0.390 0.586 -0.649) 0.957 2.749 ( -8.126 9.749 1.817) 12.821 3.626 ( -0.499 -5.596 -4.393) 7.132 4.234 ( -8.666 7.881 -6.364) 13.331 4.744 ( 1.730 0.329 -1.375) 2.234 5.169 ( 0.269 -2.386 8.967) 9.282 6.476 ( -7.330 2.380 -1.216) 7.802 6.873 ( -7.299 -1.273 -2.061) 7.690 6.901 ( 0.879 3.028 1.297) 3.410 7.178 ( 7.523 7.250 -2.422) 10.725 7.469 ( 1.189 1.870 4.813) 5.299 8.639 ( 3.538 -7.412 -0.831) 8.255 ======================= 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| 2.233 ( -1.879 -1.274 0.210) 2.280 2.646 ( -13.476 5.278 2.326) 14.658 3.533 ( -1.831 -5.415 -4.044) 7.002 4.126 ( -8.984 5.372 -3.081) 10.912 4.803 ( 4.325 1.793 -2.899) 5.507 5.109 ( -7.482 -3.272 6.210) 10.259 6.353 ( -7.378 0.180 -1.481) 7.528 6.724 ( -8.587 1.545 -2.177) 8.992 6.919 ( -3.220 3.040 1.786) 4.775 7.379 ( 8.067 5.354 -4.477) 10.667 7.545 ( 4.454 0.671 5.598) 7.185 8.632 ( 4.621 -6.622 0.976) 8.134 ======================= 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| 2.147 ( -6.305 -2.812 0.522) 6.924 2.408 ( -18.193 0.557 2.032) 18.314 3.427 ( -4.802 -3.876 -1.696) 6.399 4.017 ( -8.386 3.933 -0.957) 9.312 4.849 ( -10.305 -1.524 -1.278) 10.495 4.943 ( 1.578 -0.890 1.254) 2.203 6.232 ( -6.431 0.571 -1.076) 6.545 6.607 ( -6.070 2.351 -2.324) 6.912 6.866 ( -5.888 1.550 1.802) 6.350 7.486 ( 2.084 1.770 -4.758) 5.488 7.684 ( 8.764 0.718 3.171) 9.348 8.692 ( 7.661 -3.793 2.671) 8.956 ======================= 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| 1.953 ( -13.294 -3.410 0.564) 13.735 2.067 ( -20.560 -1.487 1.463) 20.666 3.241 ( -13.591 -3.114 -0.937) 13.975 3.909 ( -7.439 2.199 -0.256) 7.761 4.524 ( -18.840 -2.877 0.573) 19.067 5.078 ( 9.088 1.576 -0.152) 9.225 6.130 ( -6.688 1.805 -1.030) 7.004 6.561 ( -0.679 2.019 -1.852) 2.823 6.776 ( -5.311 -0.581 1.764) 5.627 7.479 ( -1.939 0.568 -3.651) 4.173 7.859 ( 9.603 0.667 1.377) 9.724 8.818 ( 9.027 -2.425 0.987) 9.399 ======================= 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| 1.615 ( -21.759 -1.928 1.193) 21.877 1.720 ( -19.639 -0.736 0.660) 19.664 2.866 ( -26.674 -1.047 -1.725) 26.751 3.805 ( -5.757 0.130 -0.093) 5.759 4.217 ( -15.368 0.806 1.523) 15.465 5.258 ( 9.339 1.599 1.897) 9.663 6.027 ( -7.263 2.476 -0.778) 7.712 6.604 ( 3.740 1.073 -1.411) 4.139 6.699 ( -2.462 -1.915 1.728) 3.566 7.420 ( -4.647 1.780 -3.282) 5.961 8.032 ( 9.412 -0.021 1.446) 9.523 8.938 ( 8.228 -3.362 -2.940) 9.362 ======================= 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| 1.581 ( 0.000 19.092 4.618) 19.642 1.601 ( 0.000 18.773 4.620) 19.334 2.631 ( 0.000 30.422 -1.670) 30.467 3.681 ( -0.000 2.191 -1.143) 2.471 4.136 ( 0.000 14.944 3.065) 15.255 5.344 ( -0.000 -9.263 2.251) 9.533 5.775 ( -0.000 6.728 -2.794) 7.285 6.603 ( -0.000 -5.613 -0.338) 5.623 6.764 ( 0.000 0.275 1.850) 1.870 7.173 ( -0.000 8.572 -9.739) 12.974 8.164 ( 0.000 -10.111 2.913) 10.522 9.063 ( -0.000 -3.853 -4.889) 6.225 ======================= 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| 1.788 ( 0.580 15.218 1.256) 15.280 1.828 ( 5.443 18.408 3.420) 19.499 2.909 ( 2.367 22.911 -5.282) 23.631 3.753 ( 5.080 3.072 -1.021) 6.024 4.334 ( 2.997 17.045 4.595) 17.907 5.252 ( -0.706 -9.646 3.350) 10.236 5.911 ( 7.375 7.768 -0.913) 10.750 6.547 ( -0.314 -4.504 0.386) 4.531 6.774 ( 0.042 1.254 0.789) 1.482 7.243 ( 2.941 5.132 -7.625) 9.650 8.055 ( -1.907 -9.691 2.491) 10.186 8.940 ( -7.312 -3.730 -6.016) 10.177 ======================= 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| 1.931 ( 1.342 10.826 -1.680) 11.037 2.140 ( 8.045 17.985 2.702) 19.887 3.142 ( 5.123 15.302 -4.600) 16.780 3.883 ( 5.647 4.634 -1.315) 7.422 4.588 ( 5.548 14.806 2.929) 16.081 5.156 ( -1.193 -8.735 4.533) 9.913 6.141 ( 9.147 7.969 1.614) 12.238 6.517 ( 0.702 -1.788 -0.080) 1.923 6.805 ( 0.812 3.628 -0.301) 3.730 7.300 ( 3.069 -0.199 -6.862) 7.520 7.935 ( -2.526 -8.500 3.200) 9.428 8.724 ( -10.645 -2.318 -6.562) 12.718 ======================= 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| 2.045 ( 2.387 7.356 -2.628) 8.168 2.458 ( 6.995 17.487 1.848) 18.925 3.361 ( 7.208 8.910 -1.174) 11.520 4.032 ( 5.517 7.399 -1.068) 9.291 4.797 ( 4.985 7.106 -0.540) 8.697 5.071 ( -2.344 -5.718 4.438) 7.608 6.362 ( 6.463 6.094 4.976) 10.182 6.545 ( 3.218 2.211 -2.808) 4.810 6.868 ( 0.748 6.237 -1.190) 6.394 7.291 ( 1.226 -3.540 -7.323) 8.226 7.811 ( -4.586 -7.582 3.275) 9.447 8.534 ( -6.359 -0.581 -4.157) 7.619 ======================= 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| 2.141 ( 2.518 4.922 -2.190) 5.947 2.725 ( 3.567 16.583 1.137) 17.000 3.537 ( 5.718 3.129 0.907) 6.581 4.218 ( 5.644 11.044 -0.612) 12.417 4.905 ( 5.285 -1.252 0.198) 5.435 4.973 ( -5.831 -2.850 0.594) 6.517 6.510 ( 4.089 3.317 4.012) 6.619 6.651 ( 5.072 5.237 -2.346) 7.658 6.919 ( -1.860 5.313 -1.481) 5.820 7.255 ( 0.740 -0.565 -7.078) 7.139 7.644 ( -7.790 -4.894 2.218) 9.464 8.477 ( 1.310 -2.069 -0.467) 2.493 ======================= 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| 2.211 ( 1.661 3.124 -1.428) 3.815 2.910 ( -0.856 15.080 1.226) 15.154 3.613 ( 1.862 -1.454 0.122) 2.366 4.407 ( 1.380 13.149 -2.691) 13.492 4.820 ( -6.948 -3.313 -2.012) 7.956 4.991 ( 7.582 -4.155 4.153) 9.592 6.604 ( 1.995 2.721 -1.302) 3.616 6.781 ( 4.750 3.479 2.162) 6.272 6.905 ( -1.735 1.463 -1.257) 2.594 7.250 ( -3.216 6.106 -5.529) 8.844 7.509 ( -4.431 -0.694 2.611) 5.190 8.493 ( 3.993 -5.655 0.320) 6.930 ======================= 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| 2.249 ( 0.437 1.596 -0.802) 1.839 2.996 ( -6.149 12.651 2.126) 14.226 3.581 ( -1.178 -4.521 -2.174) 5.153 4.444 ( -8.579 9.008 -6.186) 13.893 4.724 ( -0.096 -0.784 -0.613) 1.000 5.106 ( 7.047 -3.409 6.656) 10.275 6.586 ( -4.619 0.091 -2.800) 5.403 6.898 ( 1.311 2.608 1.823) 3.442 6.908 ( 3.722 -0.553 0.493) 3.795 7.237 ( -4.514 10.671 -3.079) 11.989 7.493 ( -0.210 1.494 2.485) 2.907 8.490 ( 3.815 -8.251 -0.310) 9.095 ======================= 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| 2.251 ( -1.015 0.206 -0.415) 1.116 2.947 ( -12.594 7.617 2.498) 14.929 3.500 ( -1.238 -4.052 -2.919) 5.145 4.323 ( -9.708 4.699 -3.585) 11.365 4.754 ( 2.492 1.436 -1.294) 3.154 5.167 ( 0.249 -2.690 4.864) 5.563 6.468 ( -7.011 -0.881 -1.122) 7.154 6.848 ( -5.012 -0.169 -1.885) 5.357 7.007 ( 0.928 3.792 2.736) 4.767 7.312 ( 2.781 8.506 -3.790) 9.719 7.520 ( 1.167 0.122 3.410) 3.606 8.477 ( 4.734 -7.618 -0.085) 8.970 ======================= 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| 2.211 ( -3.423 -0.730 -0.436) 3.527 2.735 ( -17.471 1.539 1.463) 17.600 3.449 ( -1.616 -1.014 -0.951) 2.132 4.194 ( -8.880 2.746 -1.191) 9.371 4.824 ( 4.415 1.725 -1.240) 4.899 5.076 ( -8.960 -2.901 2.068) 9.642 6.342 ( -6.566 -0.019 0.543) 6.588 6.737 ( -7.016 0.933 -1.877) 7.323 7.002 ( -5.767 2.265 0.915) 6.263 7.434 ( 4.587 4.172 -6.022) 8.644 7.572 ( 5.004 -1.596 4.735) 7.072 8.522 ( 7.353 -4.064 0.437) 8.413 ======================= 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| 2.109 ( -7.563 -0.578 -1.042) 7.656 2.413 ( -19.984 -1.103 0.705) 20.027 3.388 ( -6.054 0.716 -0.402) 6.109 4.058 ( -8.557 0.370 -0.432) 8.576 4.821 ( -15.382 -0.094 -0.696) 15.398 4.954 ( 6.571 0.637 2.195) 6.957 6.248 ( -5.648 0.982 1.743) 5.992 6.629 ( -5.524 1.157 -1.614) 5.871 6.885 ( -7.495 -1.338 -0.022) 7.614 7.489 ( 0.903 2.030 -4.289) 4.830 7.702 ( 9.240 -1.031 2.967) 9.759 8.635 ( 8.629 -2.009 -1.638) 9.010 ======================= 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| 1.924 ( -13.976 1.077 -2.157) 14.182 2.058 ( -20.029 -0.155 0.556) 20.038 3.220 ( -15.216 2.397 -2.773) 15.652 3.907 ( -7.398 -2.027 -0.409) 7.682 4.541 ( -17.509 3.521 2.191) 17.994 5.120 ( 9.386 1.248 3.618) 10.137 6.165 ( -6.275 1.115 2.274) 6.767 6.578 ( -0.674 0.492 -0.534) 0.991 6.749 ( -5.428 -2.354 -0.510) 5.939 7.493 ( -1.626 2.510 -2.506) 3.902 7.866 ( 9.819 -1.220 2.256) 10.148 8.743 ( 7.921 -2.905 -6.091) 10.406 ======================= 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| 1.934 ( 0.000 12.902 -0.643) 12.918 1.950 ( 0.000 15.963 1.111) 16.002 3.081 ( -0.000 17.986 -6.796) 19.227 3.728 ( 0.000 3.092 -0.581) 3.146 4.513 ( 0.000 18.885 5.335) 19.624 5.179 ( 0.000 -8.715 4.450) 9.785 5.929 ( 0.000 9.463 0.570) 9.480 6.511 ( 0.000 -3.414 1.483) 3.722 6.779 ( -0.000 0.582 -0.309) 0.659 7.241 ( -0.000 3.488 -7.166) 7.970 7.983 ( -0.000 -9.111 1.514) 9.236 8.944 ( -0.000 -4.188 -5.925) 7.256 ======================= 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| 2.018 ( -0.870 8.747 -3.008) 9.291 2.176 ( 7.234 14.782 0.427) 16.462 3.216 ( 1.159 12.217 -5.352) 13.388 3.810 ( 5.469 3.397 -0.792) 6.487 4.705 ( 0.497 13.959 3.091) 14.305 5.123 ( -0.794 -3.582 6.068) 7.091 6.094 ( 6.623 9.820 2.359) 12.077 6.496 ( 0.296 -1.048 1.631) 1.961 6.798 ( 1.869 1.265 -1.318) 2.613 7.245 ( 0.782 -0.112 -6.765) 6.811 7.893 ( -1.186 -7.718 1.433) 7.939 8.827 ( -6.331 -3.471 -5.823) 9.275 ======================= 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| 2.076 ( 0.787 5.808 -3.309) 6.731 2.476 ( 10.041 14.316 0.480) 17.493 3.344 ( 3.951 7.296 -1.426) 8.418 3.960 ( 7.912 3.951 -1.033) 8.904 4.797 ( 0.923 1.372 0.165) 1.662 5.129 ( -3.020 6.046 5.043) 8.432 6.327 ( 7.401 8.027 4.765) 11.912 6.518 ( 1.740 2.362 -0.801) 3.041 6.866 ( 4.121 3.098 -1.784) 5.455 7.213 ( 0.464 -3.511 -6.555) 7.450 7.800 ( -2.051 -6.633 1.639) 7.134 8.649 ( -8.453 -1.651 -4.161) 9.565 ======================= 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| 2.141 ( 2.063 4.224 -2.202) 5.191 2.783 ( 8.494 14.184 0.304) 16.536 3.477 ( 5.201 2.605 1.821) 6.095 4.159 ( 10.172 5.506 -0.032) 11.566 4.801 ( 2.250 -4.624 0.547) 5.171 5.120 ( -7.732 7.169 -0.309) 10.548 6.490 ( 3.253 3.146 4.384) 6.301 6.617 ( 4.755 6.308 -1.502) 8.041 6.965 ( 1.970 4.196 -2.332) 5.189 7.177 ( 3.322 -2.789 -5.608) 7.090 7.695 ( -3.803 -5.416 1.099) 6.708 8.504 ( -5.581 -0.847 -0.974) 5.728 ======================= 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| 2.208 ( 1.935 2.991 -1.122) 3.734 3.034 ( 4.221 13.682 0.222) 14.320 3.564 ( 2.901 -1.587 2.251) 4.000 4.413 ( 10.634 7.951 1.154) 13.328 4.804 ( 4.127 -6.331 1.931) 7.801 4.997 ( -11.073 3.687 -4.401) 12.473 6.575 ( 3.025 2.907 -0.969) 4.306 6.743 ( 3.702 2.353 2.994) 5.311 6.958 ( -2.752 0.906 -2.844) 4.060 7.272 ( 6.019 5.374 -3.846) 8.938 7.582 ( -4.559 -2.521 0.818) 5.274 8.426 ( -1.736 -3.132 0.971) 3.710 ======================= 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| 2.254 ( 0.868 1.746 -0.525) 2.020 3.195 ( -1.014 12.446 1.071) 12.533 3.551 ( -0.895 -5.159 0.324) 5.246 4.626 ( 1.075 9.947 -1.501) 10.117 4.758 ( -7.689 -1.290 -1.393) 7.920 4.921 ( 8.710 -5.063 1.821) 10.238 6.626 ( -0.432 1.946 -3.212) 3.781 6.814 ( 4.560 -2.199 3.663) 6.249 6.929 ( -1.316 2.045 -1.077) 2.660 7.395 ( -0.236 9.281 -2.632) 9.650 7.516 ( -1.346 -0.053 1.107) 1.743 8.373 ( 0.504 -6.143 0.759) 6.210 ======================= 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| 2.268 ( -0.417 0.646 -0.319) 0.833 3.224 ( -9.417 7.199 1.892) 12.004 3.470 ( -0.513 -4.284 -1.165) 4.469 4.541 ( -11.977 4.051 -2.086) 12.814 4.732 ( 1.523 1.402 -0.492) 2.128 5.067 ( 9.078 -3.404 1.907) 9.881 6.571 ( -5.571 0.365 -0.257) 5.589 6.883 ( 1.245 0.206 -3.891) 4.090 6.948 ( 4.320 -0.557 3.495) 5.585 7.429 ( -3.792 8.212 -1.700) 9.203 7.520 ( -0.212 -0.422 1.251) 1.337 8.341 ( 2.919 -5.247 0.320) 6.013 ======================= 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| 2.251 ( -1.816 0.063 -0.491) 1.883 3.025 ( -15.221 -1.715 0.095) 15.318 3.466 ( -0.010 1.902 1.266) 2.284 4.377 ( -10.298 1.892 0.321) 10.475 4.776 ( 2.626 0.967 0.065) 2.799 5.124 ( 0.508 -2.790 -1.264) 3.105 6.468 ( -7.017 1.043 1.916) 7.348 6.837 ( -4.436 0.614 -2.419) 5.090 7.034 ( 3.230 -1.781 -0.546) 3.729 7.431 ( -1.747 4.295 -3.406) 5.753 7.504 ( 1.483 -3.915 2.804) 5.039 8.389 ( 5.412 -0.076 0.428) 5.430 ======================= 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| 2.202 ( -3.916 0.411 -1.295) 4.145 2.714 ( -17.130 -3.701 -0.548) 17.534 3.483 ( -2.505 3.612 2.158) 4.896 4.214 ( -9.973 -0.672 0.757) 10.024 4.854 ( 5.199 1.006 1.726) 5.569 5.028 ( -7.780 -1.471 -2.557) 8.321 6.372 ( -6.627 1.480 3.321) 7.559 6.741 ( -6.544 0.738 -1.610) 6.780 6.972 ( -5.191 -4.408 -1.796) 7.043 7.460 ( 2.439 1.900 -5.952) 6.707 7.544 ( 7.209 -4.414 4.454) 9.555 8.505 ( 5.752 2.878 -1.118) 6.528 ======================= 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| 2.110 ( -7.423 1.875 -2.906) 8.189 2.379 ( -17.794 -2.037 -0.681) 17.923 3.446 ( -7.894 5.023 0.073) 9.357 4.023 ( -9.574 -3.326 -0.295) 10.140 4.843 ( -12.487 2.631 -0.711) 12.781 4.990 ( 8.211 0.521 4.659) 9.455 6.287 ( -6.102 0.357 4.053) 7.334 6.633 ( -5.281 -0.025 -0.101) 5.283 6.823 ( -6.084 -2.735 -2.007) 6.966 7.489 ( 2.072 0.320 -4.699) 5.146 7.679 ( 10.592 -3.577 2.936) 11.558 8.609 ( 4.135 2.161 -5.002) 6.841 ======================= 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| 2.094 ( -0.000 5.463 -5.192) 7.537 2.224 ( 0.000 11.578 -1.007) 11.622 3.289 ( -0.000 7.898 -4.734) 9.208 3.794 ( 0.000 3.627 0.129) 3.629 4.795 ( 0.000 1.639 1.965) 2.559 5.184 ( 0.000 9.663 7.410) 12.178 6.145 ( 0.000 10.469 3.505) 11.040 6.499 ( 0.000 0.799 2.797) 2.909 6.779 ( -0.000 0.283 -2.591) 2.606 7.211 ( -0.000 -1.567 -6.502) 6.689 7.836 ( -0.000 -6.303 0.492) 6.322 8.825 ( -0.000 -3.793 -5.351) 6.559 ======================= 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| 2.105 ( -0.366 3.219 -4.791) 5.784 2.415 ( 9.454 9.713 -1.378) 13.624 3.350 ( 1.660 4.304 -1.632) 4.893 3.875 ( 4.989 3.281 -0.112) 5.972 4.777 ( -0.132 -4.179 1.368) 4.399 5.310 ( -3.090 13.804 5.126) 15.046 6.314 ( 5.532 9.372 4.647) 11.833 6.529 ( 0.362 3.082 1.799) 3.587 6.801 ( 3.658 0.358 -2.835) 4.642 7.161 ( -0.501 -3.332 -6.033) 6.910 7.772 ( -1.094 -5.069 0.099) 5.187 8.730 ( -4.759 -2.755 -3.960) 6.777 ======================= 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| 2.133 ( 1.857 2.553 -2.728) 4.172 2.706 ( 13.267 9.105 -1.192) 16.135 3.424 ( 3.707 1.117 1.705) 4.231 4.024 ( 8.925 2.750 -0.093) 9.339 4.740 ( 0.419 -4.115 0.945) 4.243 5.351 ( -7.839 10.474 1.044) 13.124 6.491 ( 3.098 4.323 5.177) 7.422 6.605 ( 3.536 6.874 -0.931) 7.786 6.901 ( 7.602 1.583 -1.688) 7.946 7.092 ( -0.397 -4.226 -5.119) 6.650 7.697 ( -2.210 -4.085 -0.306) 4.655 8.602 ( -6.376 -1.165 -1.519) 6.657 ======================= 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| 2.191 ( 2.563 2.083 -1.015) 3.455 3.012 ( 11.595 9.008 -1.420) 14.751 3.497 ( 3.619 -2.028 3.217) 5.249 4.242 ( 13.421 2.432 1.140) 13.687 4.719 ( 1.062 -3.154 0.584) 3.379 5.251 ( -12.720 5.969 -2.285) 14.235 6.563 ( 1.696 2.750 0.499) 3.269 6.727 ( 2.434 3.365 2.249) 4.723 6.987 ( -0.992 0.537 -2.987) 3.193 7.133 ( 11.537 0.736 -1.848) 11.708 7.618 ( -2.849 -2.406 -0.592) 3.775 8.484 ( -5.978 -0.985 0.419) 6.073 ======================= 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| 2.245 ( 1.792 1.194 -0.213) 2.164 3.254 ( 6.940 8.248 -1.286) 10.856 3.508 ( 0.207 -5.098 2.128) 5.529 4.530 ( 16.052 2.236 1.811) 16.308 4.716 ( 1.736 -2.720 0.281) 3.239 5.041 ( -15.119 3.092 -2.569) 15.645 6.626 ( 2.473 3.286 -2.596) 4.863 6.756 ( 0.301 -2.796 3.946) 4.845 6.967 ( -1.288 1.562 -1.416) 2.470 7.355 ( 10.435 3.375 -0.764) 10.994 7.556 ( -2.537 -0.251 -0.474) 2.593 8.375 ( -4.937 -2.211 0.613) 5.444 ======================= 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| 2.272 ( 0.535 0.235 0.000) 0.585 3.406 ( -5.617 1.219 0.080) 5.749 3.409 ( 3.519 -2.145 -0.080) 4.121 4.717 ( 0.447 0.063 0.017) 0.452 4.806 ( -11.847 -0.378 -0.006) 11.853 4.822 ( 13.160 1.051 -0.009) 13.202 6.662 ( -2.810 3.017 0.206) 4.128 6.772 ( 5.762 -2.932 -0.382) 6.476 6.951 ( -1.488 0.313 0.186) 1.532 7.505 ( 3.326 0.852 0.106) 3.435 7.519 ( -1.913 0.175 -0.117) 1.925 8.297 ( -1.388 -0.702 0.000) 1.555 ======================= 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| 2.270 ( -0.593 -0.238 -0.102) 0.647 3.192 ( -9.773 -8.768 -1.060) 13.173 3.500 ( 0.846 5.315 1.667) 5.634 4.591 ( -12.092 0.570 2.552) 12.372 4.743 ( 1.897 -0.947 0.704) 2.234 5.009 ( 8.179 -1.085 -3.644) 9.020 6.611 ( -6.253 2.282 3.517) 7.528 6.852 ( 4.240 -0.388 -5.688) 7.105 6.939 ( 1.466 -1.461 1.574) 2.600 7.459 ( -2.714 -7.190 1.066) 7.759 7.496 ( -1.902 0.073 -1.091) 2.193 8.341 ( 3.511 5.077 0.355) 6.183 ======================= 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| 2.248 ( -1.697 0.104 -0.710) 1.843 2.909 ( -12.491 -8.230 -1.186) 15.006 3.562 ( -0.500 5.122 2.870) 5.893 4.396 ( -11.488 -1.671 3.060) 12.006 4.786 ( 3.780 -0.831 1.984) 4.349 5.056 ( 0.684 -0.912 -5.659) 5.772 6.524 ( -7.466 1.538 4.086) 8.649 6.841 ( -3.593 1.541 -2.786) 4.801 6.951 ( 0.592 -4.600 -2.129) 5.103 7.364 ( 3.411 -7.915 0.275) 8.623 7.462 ( -0.573 -1.662 -1.336) 2.208 8.481 ( 3.975 7.792 0.312) 8.753 ======================= 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| 2.207 ( -3.385 1.241 -2.195) 4.221 2.609 ( -13.519 -5.490 -1.195) 14.640 3.600 ( -3.006 6.326 2.186) 7.337 4.173 ( -11.858 -4.133 0.951) 12.594 4.876 ( 6.502 -1.229 4.152) 7.812 5.002 ( -4.581 1.544 -3.757) 6.123 6.413 ( -7.194 -1.327 4.086) 8.379 6.747 ( -7.314 0.835 -0.375) 7.371 6.873 ( -3.084 -2.182 -2.177) 4.360 7.416 ( 5.205 -1.894 -6.899) 8.847 7.457 ( 7.182 -6.554 3.181) 10.230 8.605 ( 1.533 7.082 -1.475) 7.395 ======================= 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| 2.110 ( -0.000 0.843 -5.207) 5.275 2.398 ( 0.000 6.971 -1.387) 7.108 3.360 ( 0.000 1.635 -0.426) 1.690 3.865 ( 0.000 2.992 0.398) 3.018 4.737 ( 0.000 -4.579 1.552) 4.835 5.494 ( 0.000 13.030 3.562) 13.508 6.371 ( 0.000 8.889 4.731) 10.070 6.572 ( 0.000 3.909 3.311) 5.122 6.752 ( -0.000 -0.707 -3.981) 4.044 7.114 ( -0.000 -3.407 -5.322) 6.319 7.737 ( -0.000 -3.621 -0.794) 3.707 8.730 ( -0.000 -2.720 -2.980) 4.035 ======================= 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| 2.112 ( 1.371 0.958 -2.704) 3.180 2.550 ( 10.602 5.013 -1.301) 11.799 3.386 ( 1.925 -0.101 1.697) 2.569 3.931 ( 4.533 2.043 0.240) 4.978 4.704 ( 0.110 -3.131 1.197) 3.354 5.568 ( -5.039 8.726 0.662) 10.098 6.499 ( 3.140 5.178 4.153) 7.343 6.628 ( 1.214 5.441 1.292) 5.723 6.776 ( 5.205 -1.061 -1.853) 5.626 7.057 ( -1.008 -2.835 -4.300) 5.248 7.693 ( -1.298 -2.409 -1.306) 3.032 8.669 ( -3.424 -1.494 -1.176) 3.917 ======================= 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| 2.157 ( 2.794 1.273 -0.455) 3.104 2.823 ( 15.634 3.688 -1.497) 16.132 3.432 ( 2.968 -1.436 3.038) 4.484 4.063 ( 9.138 0.955 0.719) 9.216 4.689 ( 0.402 -1.523 0.782) 1.758 5.497 ( -10.041 3.981 -1.914) 10.970 6.562 ( 1.046 0.606 0.763) 1.429 6.737 ( 2.114 4.830 1.681) 5.534 6.906 ( 11.919 -0.904 0.328) 11.958 7.006 ( -1.208 -0.382 -2.640) 2.928 7.639 ( -2.192 -1.074 -1.490) 2.859 8.581 ( -5.510 -0.452 0.289) 5.536 ======================= 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| 2.215 ( 2.545 0.587 0.423) 2.646 3.107 ( 14.055 1.070 -1.856) 14.217 3.464 ( 1.559 -2.208 1.994) 3.358 4.270 ( 13.899 -0.504 1.498) 13.989 4.692 ( 0.629 -0.057 0.492) 0.800 5.309 ( -13.277 1.067 -1.985) 13.467 6.587 ( 2.483 -0.671 -1.651) 3.057 6.766 ( -1.061 -0.671 2.930) 3.188 6.997 ( -0.713 1.830 -0.405) 2.006 7.148 ( 14.516 0.909 0.626) 14.558 7.592 ( -2.248 0.282 -1.231) 2.578 8.472 ( -6.805 -0.401 0.289) 6.823 ======================= 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| 2.253 ( 1.536 -0.485 0.530) 1.696 3.267 ( 6.929 -7.836 -0.261) 10.464 3.469 ( 0.382 2.474 -1.350) 2.844 4.510 ( 14.826 -4.209 -0.175) 15.413 4.717 ( 1.412 2.111 0.361) 2.566 5.079 ( -13.516 0.885 1.052) 13.586 6.630 ( 5.101 -2.044 -3.008) 6.265 6.745 ( -1.755 0.109 3.831) 4.216 6.988 ( -2.165 0.853 0.478) 2.375 7.379 ( 10.545 -1.029 1.454) 10.694 7.554 ( -2.456 0.115 -0.645) 2.542 8.360 ( -5.237 0.988 -0.799) 5.389 ======================= 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| 2.264 ( 0.603 -1.075 0.454) 1.313 3.183 ( -2.461 -13.072 -0.110) 13.302 3.532 ( 2.028 4.812 -1.371) 5.399 4.631 ( 6.570 -8.665 -1.047) 10.925 4.762 ( -2.414 1.708 -0.943) 3.104 4.935 ( -2.993 3.875 3.040) 5.763 6.688 ( 4.623 -4.441 -1.345) 6.550 6.748 ( -0.453 3.815 1.790) 4.238 6.949 ( -2.125 -0.550 0.479) 2.247 7.447 ( -1.431 -6.900 2.175) 7.374 7.495 ( -1.280 -1.290 -0.925) 2.039 8.355 ( 1.524 6.016 -0.906) 6.271 ======================= 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| 2.259 ( -0.130 -0.779 0.185) 0.811 2.970 ( -6.841 -12.248 -0.450) 14.036 3.608 ( 1.692 4.397 0.447) 4.733 4.544 ( -6.066 -8.236 2.269) 10.477 4.731 ( 0.241 0.951 0.096) 0.985 5.001 ( 3.088 2.086 -2.330) 4.395 6.651 ( -4.229 -3.146 2.059) 5.659 6.816 ( 3.664 1.672 -2.417) 4.697 6.930 ( 0.140 -0.096 0.416) 0.450 7.282 ( -5.054 -9.186 0.921) 10.525 7.458 ( -1.373 -2.738 -0.676) 3.136 8.493 ( 4.734 8.594 0.051) 9.812 ======================= 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| 2.246 ( -1.060 0.168 -0.782) 1.328 2.724 ( -8.651 -9.028 -0.561) 12.516 3.683 ( 0.963 5.556 1.129) 5.751 4.329 ( -10.492 -6.837 1.302) 12.590 4.773 ( 4.255 -1.206 1.354) 4.626 5.037 ( 0.123 1.663 -2.340) 2.874 6.512 ( -6.598 -5.961 1.959) 9.105 6.860 ( -0.496 2.135 -2.169) 3.084 6.906 ( -4.902 1.855 0.952) 5.327 7.202 ( 6.498 -7.439 -1.032) 9.931 7.399 ( -1.168 -3.350 -1.020) 3.692 8.647 ( 2.833 7.831 -0.067) 8.328 ======================= 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| 2.100 ( -0.000 0.986 -0.874) 1.317 2.487 ( 0.000 2.683 -0.526) 2.734 3.373 ( 0.000 -0.510 2.658) 2.707 3.908 ( 0.000 1.044 0.127) 1.052 4.682 ( 0.000 -1.787 1.126) 2.112 5.678 ( -0.000 4.141 -1.531) 4.415 6.519 ( 0.000 2.198 0.721) 2.314 6.663 ( 0.000 1.659 3.178) 3.584 6.720 ( -0.000 0.680 -0.643) 0.936 7.037 ( -0.000 -0.450 -2.784) 2.820 7.683 ( -0.000 -0.912 -1.865) 2.076 8.685 ( -0.000 -0.665 0.042) 0.666 ======================= 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| 2.131 ( 1.675 1.605 1.278) 2.649 2.600 ( 10.847 0.656 -0.329) 10.872 3.393 ( 1.524 -0.565 3.574) 3.926 3.952 ( 4.607 -0.082 0.272) 4.616 4.677 ( 0.229 -0.369 0.924) 1.021 5.638 ( -5.202 -0.839 -3.758) 6.472 6.529 ( 1.667 -2.608 -2.284) 3.847 6.724 ( 6.384 -2.571 1.339) 7.011 6.755 ( 1.411 3.088 2.818) 4.412 7.034 ( -0.972 2.928 -0.251) 3.096 7.661 ( -1.362 0.438 -2.070) 2.516 8.659 ( -3.186 0.524 1.108) 3.413 ======================= 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| 2.182 ( 2.048 0.612 1.815) 2.805 2.829 ( 15.400 -2.416 -0.987) 15.620 3.426 ( 1.689 -0.813 2.584) 3.192 4.070 ( 9.265 -1.013 1.351) 9.417 4.689 ( 0.497 1.012 0.768) 1.364 5.476 ( -8.568 -4.140 -3.921) 10.292 6.519 ( 2.138 -3.942 -2.848) 5.312 6.752 ( 2.232 -4.995 2.606) 6.060 6.910 ( 10.431 1.796 0.434) 10.593 7.064 ( -0.595 5.067 2.983) 5.910 7.634 ( -2.140 1.647 -1.965) 3.340 8.589 ( -6.218 0.849 0.988) 6.353 ======================= 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| 2.218 ( 1.728 -1.064 1.485) 2.515 3.016 ( 11.779 -8.840 -1.137) 14.771 3.455 ( 1.909 0.454 -0.572) 2.044 4.244 ( 11.946 -2.965 1.278) 12.375 4.721 ( 1.021 2.643 0.692) 2.917 5.262 ( -9.373 -4.735 -1.114) 10.560 6.514 ( 3.526 -4.358 -3.387) 6.550 6.748 ( 1.504 -3.578 3.362) 5.135 7.034 ( 0.647 0.566 1.228) 1.499 7.189 ( 9.516 2.492 3.608) 10.478 7.606 ( -2.746 2.103 -1.717) 3.861 8.478 ( -7.326 1.149 -0.175) 7.417 ======================= 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| 2.233 ( 1.417 -2.118 1.183) 2.810 3.029 ( 4.078 -14.573 -0.243) 15.135 3.510 ( 3.521 2.067 -2.758) 4.927 4.390 ( 9.829 -7.141 -0.953) 12.187 4.781 ( 1.449 4.154 -0.531) 4.431 5.077 ( -7.511 -2.875 3.275) 8.684 6.535 ( 5.392 -4.471 -3.971) 8.052 6.763 ( 2.173 -2.026 3.910) 4.911 7.009 ( -3.662 -0.308 1.985) 4.177 7.354 ( 6.100 -2.178 4.061) 7.645 7.554 ( -4.999 1.152 -1.943) 5.485 8.404 ( -2.344 3.936 -1.035) 4.697 ======================= 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| 2.239 ( 1.254 -1.923 1.143) 2.565 2.901 ( -0.999 -15.035 0.340) 15.072 3.588 ( 4.059 2.256 -2.210) 5.143 4.420 ( 4.812 -11.330 -1.543) 12.406 4.808 ( -3.053 3.797 -2.341) 5.406 5.003 ( -0.774 0.243 4.561) 4.632 6.567 ( 4.784 -5.655 -4.156) 8.493 6.806 ( 2.891 -0.966 3.664) 4.766 6.933 ( -3.309 -2.437 1.500) 4.375 7.347 ( -5.816 -2.490 3.306) 7.138 7.463 ( -3.479 -0.890 -1.386) 3.849 8.484 ( 4.699 6.798 -0.413) 8.274 ======================= 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| 2.148 ( 0.000 2.595 3.416) 4.290 2.498 ( 0.000 -1.670 0.476) 1.736 3.393 ( 0.000 0.107 4.751) 4.752 3.905 ( -0.000 -1.319 -0.187) 1.332 4.680 ( 0.000 0.893 0.923) 1.284 5.630 ( -0.000 -6.182 -6.029) 8.635 6.453 ( -0.000 -5.595 -4.560) 7.217 6.643 ( 0.000 -4.656 1.264) 4.824 6.779 ( 0.000 2.219 3.980) 4.557 7.088 ( 0.000 5.248 2.072) 5.642 7.677 ( -0.000 1.768 -2.350) 2.941 8.706 ( 0.000 2.030 1.971) 2.829 ======================= 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| 2.182 ( -0.050 1.115 3.613) 3.781 2.567 ( 10.228 -4.214 0.261) 11.065 3.415 ( 0.397 -0.297 4.534) 4.561 3.933 ( 5.300 -2.001 0.568) 5.694 4.701 ( 0.256 2.278 0.907) 2.465 5.490 ( -3.634 -10.092 -6.714) 12.654 6.407 ( 3.225 -6.572 -4.225) 8.453 6.625 ( 3.654 -6.376 1.078) 7.427 6.833 ( 2.974 1.399 2.965) 4.427 7.148 ( -0.794 6.001 4.360) 7.460 7.680 ( -1.345 2.945 -2.421) 4.043 8.703 ( -4.115 2.758 1.904) 5.307 ======================= 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| 2.192 ( 0.427 -1.694 2.649) 3.173 2.708 ( 12.365 -9.229 -1.032) 15.464 3.427 ( 0.843 -1.148 1.930) 2.398 4.044 ( 9.072 -2.655 1.848) 9.631 4.741 ( 0.640 3.680 1.022) 3.873 5.289 ( -4.327 -11.273 -4.767) 12.982 6.392 ( 3.680 -5.919 -3.910) 7.992 6.644 ( 5.026 -6.535 2.556) 8.631 6.930 ( 6.660 -0.871 0.950) 6.784 7.211 ( -0.556 5.946 6.175) 8.590 7.674 ( -2.391 3.835 -2.560) 5.194 8.630 ( -7.797 2.612 1.074) 8.293 ======================= 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| 2.186 ( 1.265 -3.592 1.914) 4.262 2.766 ( 8.602 -14.994 -1.338) 17.338 3.448 ( 3.057 -1.178 -0.849) 3.385 4.170 ( 8.641 -5.259 1.003) 10.165 4.804 ( 1.241 4.874 0.694) 5.078 5.109 ( -2.937 -9.532 -1.220) 10.049 6.393 ( 4.302 -4.859 -4.169) 7.713 6.678 ( 4.481 -5.275 3.544) 7.776 7.002 ( 3.127 -4.560 1.006) 5.620 7.303 ( 2.386 4.830 6.604) 8.523 7.652 ( -3.969 4.241 -3.095) 6.581 8.521 ( -7.298 3.139 0.565) 7.965 ======================= 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| 2.185 ( 2.355 -3.739 1.930) 4.822 2.711 ( 4.488 -16.845 -0.092) 17.433 3.505 ( 5.295 -0.915 -2.128) 5.779 4.220 ( 5.349 -9.407 -0.376) 10.828 4.873 ( 0.053 5.824 -1.989) 6.154 5.002 ( -0.163 -6.548 2.429) 6.986 6.413 ( 4.963 -4.730 -4.601) 8.257 6.717 ( 4.356 -4.618 3.051) 7.043 6.954 ( -1.932 -6.541 1.818) 7.058 7.396 ( 0.599 2.535 6.602) 7.097 7.586 ( -7.635 4.184 -3.681) 9.452 8.494 ( -0.018 4.884 1.087) 5.003 ======================= 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| 2.213 ( 0.000 0.150 4.168) 4.171 2.420 ( -0.000 -6.764 0.605) 6.791 3.428 ( 0.000 -0.908 6.199) 6.265 3.860 ( -0.000 -2.901 -0.032) 2.901 4.732 ( 0.000 3.588 1.016) 3.729 5.369 ( -0.000 -14.495 -8.298) 16.702 6.283 ( -0.000 -8.099 -3.628) 8.875 6.540 ( -0.000 -5.173 0.316) 5.183 6.824 ( 0.000 -0.244 2.891) 2.901 7.230 ( 0.000 5.503 5.609) 7.858 7.719 ( -0.000 4.106 -2.490) 4.802 8.783 ( 0.000 4.162 1.938) 4.591 ======================= 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| 2.187 ( -1.556 -3.670 2.908) 4.934 2.426 ( 8.427 -10.258 -0.389) 13.281 3.419 ( -0.918 -3.181 4.818) 5.846 3.888 ( 6.209 -3.005 1.157) 6.994 4.776 ( 0.347 3.576 1.332) 3.831 5.176 ( -1.164 -15.067 -7.539) 16.888 6.236 ( 4.610 -7.880 -2.675) 9.513 6.520 ( 2.775 -4.144 0.938) 5.075 6.846 ( 2.617 -1.408 1.395) 3.283 7.296 ( -0.354 4.362 6.728) 8.026 7.744 ( -1.507 5.225 -2.553) 6.008 8.787 ( -5.278 4.412 1.280) 6.997 ======================= 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| 2.131 ( 0.239 -6.331 1.927) 6.622 2.450 ( 9.203 -15.507 -1.879) 18.130 3.384 ( 0.968 -5.251 2.281) 5.806 3.989 ( 7.829 -4.083 1.612) 8.976 4.811 ( 2.074 -2.484 1.582) 3.602 5.020 ( -0.638 -7.046 -5.247) 8.808 6.248 ( 5.408 -6.085 -2.599) 8.545 6.554 ( 4.656 -3.715 2.495) 6.458 6.886 ( 4.062 -3.757 -0.002) 5.533 7.357 ( 0.473 3.561 7.179) 8.027 7.753 ( -3.031 6.135 -3.021) 7.480 8.707 ( -8.901 4.270 1.245) 9.951 ======================= 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| 2.094 ( 2.843 -7.116 1.923) 7.901 2.424 ( 8.100 -18.039 -1.311) 19.818 3.382 ( 4.831 -5.744 0.760) 7.544 4.052 ( 4.951 -7.160 0.796) 8.742 4.812 ( 6.457 -10.994 0.888) 12.781 4.984 ( -1.954 5.273 -3.670) 6.715 6.274 ( 4.672 -4.483 -3.303) 7.269 6.607 ( 4.257 -3.650 2.741) 6.241 6.884 ( 1.551 -7.165 0.286) 7.337 7.434 ( 1.562 3.088 6.314) 7.200 7.737 ( -5.107 6.764 -3.792) 9.285 8.611 ( -6.995 4.682 3.013) 8.940 ======================= 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| 2.165 ( -0.000 -7.662 1.600) 7.827 2.229 ( -0.000 -12.617 -0.493) 12.626 3.404 ( 0.000 -6.871 5.760) 8.966 3.799 ( -0.000 -3.194 0.573) 3.245 4.775 ( -0.000 -6.499 -0.010) 6.499 5.037 ( -0.000 -6.057 -6.115) 8.607 6.101 ( -0.000 -8.381 -0.702) 8.410 6.475 ( 0.000 -1.126 0.449) 1.213 6.811 ( 0.000 -1.986 0.573) 2.067 7.352 ( 0.000 1.940 6.986) 7.250 7.809 ( -0.000 6.640 -2.158) 6.982 8.887 ( 0.000 5.258 0.414) 5.274 ======================= 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| 2.055 ( -0.431 -10.980 0.569) 11.003 2.149 ( 5.957 -16.673 -2.040) 17.822 3.315 ( -0.671 -11.431 3.729) 12.042 3.831 ( 6.206 -3.436 1.084) 7.176 4.649 ( 2.205 -18.094 -2.219) 18.362 5.035 ( -0.971 7.007 -1.929) 7.332 6.074 ( 5.585 -7.349 0.545) 9.247 6.492 ( 1.583 0.783 1.155) 2.111 6.804 ( 1.621 -2.766 -0.802) 3.304 7.388 ( 0.636 -0.038 6.958) 6.987 7.857 ( -1.958 7.737 -2.062) 8.243 8.889 ( -5.754 5.294 -0.009) 7.819 ======================= 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| 1.954 ( 2.667 -12.731 0.406) 13.014 2.086 ( 8.476 -18.859 -2.279) 20.801 3.222 ( 3.945 -13.557 2.760) 14.386 3.904 ( 5.621 -5.084 0.694) 7.611 4.536 ( 6.927 -17.364 -1.832) 18.785 5.087 ( -2.103 9.122 -1.861) 9.545 6.124 ( 6.555 -5.438 0.104) 8.518 6.541 ( 2.138 0.863 1.938) 3.012 6.793 ( 1.397 -4.708 -1.408) 5.109 7.431 ( 2.427 -0.546 5.558) 6.089 7.879 ( -3.966 8.185 -2.288) 9.379 8.813 ( -8.646 5.299 1.875) 10.313 ======================= 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| 1.913 ( -0.000 -18.138 -2.293) 18.282 1.924 ( -0.000 -16.330 -1.580) 16.407 3.175 ( -0.000 -20.076 1.811) 20.157 3.746 ( 0.000 -2.728 1.062) 2.928 4.432 ( -0.000 -18.739 -2.172) 18.865 5.130 ( 0.000 9.804 0.198) 9.806 5.954 ( 0.000 -7.057 2.869) 7.618 6.510 ( 0.000 3.934 1.172) 4.105 6.763 ( -0.000 -2.203 -1.841) 2.871 7.390 ( 0.000 -2.837 7.033) 7.584 7.951 ( 0.000 8.702 -1.593) 8.846 8.992 ( -0.000 5.576 -1.562) 5.791 ======================= 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| 1.739 ( 2.502 -21.128 -3.397) 21.545 1.775 ( 4.945 -17.723 -1.681) 18.476 2.972 ( 3.852 -25.204 0.704) 25.507 3.770 ( 4.742 -3.225 0.656) 5.772 4.275 ( 2.765 -16.201 -1.119) 16.473 5.214 ( -1.842 9.697 0.062) 9.870 5.959 ( 6.048 -5.706 3.558) 9.044 6.562 ( -0.018 4.838 1.562) 5.084 6.737 ( 0.253 -2.426 -2.654) 3.605 7.391 ( 1.660 -3.844 6.312) 7.575 8.013 ( -2.392 8.848 -1.556) 9.297 8.993 ( -5.248 5.465 -1.056) 7.650 ======================= 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| 1.489 ( -0.000 -22.142 -3.865) 22.476 1.518 ( -0.000 -22.178 -3.793) 22.500 2.622 ( -0.000 -34.690 -1.708) 34.732 3.705 ( 0.000 -2.109 1.079) 2.369 4.107 ( -0.000 -13.365 -0.225) 13.367 5.330 ( 0.000 9.097 1.403) 9.205 5.861 ( 0.000 -5.228 5.331) 7.467 6.626 ( 0.000 5.908 1.593) 6.119 6.710 ( -0.000 -1.165 -3.357) 3.553 7.353 ( 0.000 -4.947 6.984) 8.559 8.118 ( 0.000 8.768 -1.424) 8.882 9.084 ( -0.000 5.273 -2.931) 6.033 ======================= 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| 0.474 ( 0.000 0.000 22.271) 22.271 0.474 ( 0.000 0.000 22.271) 22.271 0.768 ( 0.000 0.000 36.514) 36.514 3.637 ( -0.000 -0.000 -0.992) 0.992 3.637 ( -0.000 -0.000 -0.992) 0.992 5.697 ( -0.000 -0.000 -3.868) 3.868 5.697 ( -0.000 -0.000 -3.868) 3.868 6.269 ( -0.000 -0.000 -9.959) 9.959 6.719 ( 0.000 0.000 2.780) 2.780 6.719 ( 0.000 0.000 2.780) 2.780 8.486 ( 0.000 0.000 5.903) 5.903 9.177 ( -0.000 -0.000 -1.652) 1.652 ======================= 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| 0.683 ( 12.568 7.256 14.878) 20.784 0.724 ( 10.949 6.321 18.956) 22.785 1.261 ( 27.230 15.721 18.963) 36.718 3.648 ( 0.967 0.558 -0.947) 1.464 3.697 ( 5.451 3.147 -1.129) 6.394 5.630 ( -2.172 -1.254 -0.977) 2.692 5.759 ( 4.354 2.514 -2.743) 5.727 6.650 ( 14.328 8.272 -15.851) 22.912 6.693 ( -2.013 -1.162 2.304) 3.273 6.831 ( 8.827 5.096 -12.277) 15.957 8.459 ( -4.025 -2.324 6.040) 7.621 9.148 ( -3.197 -1.846 -3.408) 5.024 ======================= 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| 1.066 ( 16.673 9.626 7.655) 20.718 1.069 ( 14.268 8.238 10.043) 19.295 1.949 ( 27.768 16.032 4.602) 32.393 3.675 ( 1.700 0.981 -0.834) 2.133 3.890 ( 11.262 6.502 2.264) 13.200 5.561 ( -3.742 -2.161 0.248) 4.328 5.873 ( 6.168 3.561 -1.542) 7.287 6.648 ( -2.289 -1.321 1.578) 3.078 6.756 ( -1.333 -0.769 1.424) 2.097 7.036 ( 14.051 8.112 -18.405) 24.536 8.350 ( -6.918 -3.994 5.481) 9.688 8.998 ( -8.276 -4.778 -6.175) 11.378 ======================= 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| 1.424 ( 14.571 8.413 2.001) 16.944 1.473 ( 16.807 9.704 3.287) 19.684 2.535 ( 23.244 13.420 -3.501) 27.068 3.719 ( 2.344 1.353 -0.616) 2.776 4.213 ( 14.998 8.659 6.057) 18.347 5.464 ( -4.881 -2.818 1.884) 5.943 6.023 ( 6.894 3.980 0.058) 7.961 6.608 ( -1.205 -0.696 0.287) 1.421 6.685 ( -3.956 -2.284 1.082) 4.695 7.298 ( 11.465 6.619 -9.062) 16.043 8.197 ( -7.691 -4.441 5.696) 10.551 8.747 ( -10.399 -6.004 -10.397) 15.883 ======================= 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| 1.735 ( 12.532 7.236 -3.239) 14.829 1.844 ( 14.785 8.536 0.634) 17.084 3.002 ( 19.163 11.064 -5.260) 22.744 3.776 ( 2.681 1.548 -0.330) 3.114 4.571 ( 13.447 7.764 6.004) 16.648 5.353 ( -5.658 -3.267 4.084) 7.705 6.176 ( 5.676 3.277 2.472) 7.004 6.607 ( 1.609 0.929 -1.894) 2.653 6.618 ( -1.822 -1.052 1.775) 2.753 7.439 ( 2.405 1.389 -6.990) 7.521 8.030 ( -9.793 -5.654 6.097) 12.847 8.526 ( -3.237 -1.869 -11.426) 12.022 ======================= 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| 1.969 ( 9.027 5.212 -5.111) 11.609 2.146 ( 11.434 6.601 -0.646) 13.218 3.387 ( 15.889 9.173 -4.782) 18.960 3.835 ( 2.456 1.418 -0.073) 2.836 4.833 ( 7.509 4.335 2.869) 9.132 5.236 ( -5.910 -3.412 6.499) 9.424 6.285 ( 2.727 1.575 4.557) 5.539 6.628 ( 2.296 1.325 1.594) 3.094 6.674 ( 4.903 2.831 -3.808) 6.823 7.386 ( -3.532 -2.039 -7.571) 8.600 7.761 ( -13.724 -7.924 1.930) 15.964 8.552 ( 6.006 3.467 -4.759) 8.411 ======================= 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| 2.117 ( 5.508 3.180 -4.432) 7.752 2.360 ( 7.442 4.297 -0.819) 8.633 3.687 ( 11.601 6.698 -6.791) 15.018 3.883 ( 1.633 0.943 0.089) 1.888 4.903 ( -2.061 -1.190 -1.609) 2.872 5.166 ( -1.594 -0.920 10.648) 10.806 6.336 ( 0.491 0.283 4.506) 4.542 6.730 ( 6.164 3.559 0.392) 7.128 6.785 ( 5.329 3.077 -3.712) 7.187 7.261 ( -5.421 -3.130 -8.610) 10.646 7.485 ( -9.578 -5.530 4.149) 11.813 8.686 ( 5.665 3.271 -2.066) 6.860 ======================= 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| 2.202 ( 3.160 1.825 -2.664) 4.518 2.480 ( 3.137 1.811 -0.320) 3.637 3.848 ( 4.630 2.673 -11.524) 12.704 3.908 ( 0.421 0.243 0.105) 0.497 4.801 ( -4.054 -2.340 -1.689) 4.976 5.202 ( -0.024 -0.014 12.260) 12.261 6.341 ( -1.136 -0.656 3.324) 3.574 6.874 ( 3.068 1.771 -2.657) 4.428 6.907 ( 8.990 5.190 -0.061) 10.381 7.054 ( -9.233 -5.331 -8.024) 13.344 7.398 ( -0.573 -0.331 7.012) 7.043 8.774 ( 2.420 1.397 -1.889) 3.373 ======================= 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| 2.251 ( 1.569 0.906 -0.621) 1.915 2.499 ( -1.487 -0.859 0.417) 1.767 3.821 ( -2.710 -1.565 -12.607) 12.990 3.902 ( -0.888 -0.512 -0.100) 1.030 4.759 ( 1.025 0.592 -2.081) 2.394 5.207 ( -3.599 -2.078 11.276) 12.018 6.305 ( -2.765 -1.596 1.730) 3.631 6.815 ( -8.978 -5.184 -5.196) 11.596 6.902 ( -0.030 -0.017 -1.363) 1.364 7.139 ( 10.733 6.197 -1.358) 12.468 7.459 ( 3.229 1.864 7.437) 8.319 8.791 ( -0.082 -0.048 -1.215) 1.218 ======================= 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| 2.257 ( -1.667 -0.963 1.273) 2.308 2.411 ( -6.522 -3.765 1.095) 7.610 3.678 ( -6.220 -3.591 -7.743) 10.561 3.868 ( -1.937 -1.118 -0.493) 2.290 4.816 ( 4.325 2.497 -4.377) 6.641 5.095 ( -9.085 -5.245 7.857) 13.106 6.228 ( -4.148 -2.395 -0.185) 4.794 6.619 ( -6.411 -3.701 -4.036) 8.432 6.868 ( -2.471 -1.427 0.079) 2.855 7.361 ( 8.382 4.839 -2.747) 10.061 7.585 ( 5.720 3.303 6.005) 8.927 8.787 ( 0.263 0.152 1.705) 1.732 ======================= 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| 2.157 ( -7.985 -4.610 2.319) 9.508 2.206 ( -11.738 -6.777 1.633) 13.652 3.487 ( -9.604 -5.545 -1.784) 11.232 3.815 ( -2.417 -1.395 -0.867) 2.922 4.777 ( -12.876 -7.434 0.284) 14.871 4.987 ( 4.817 2.781 -1.959) 5.897 6.118 ( -4.966 -2.867 -2.297) 6.178 6.512 ( -1.623 -0.937 -2.870) 3.427 6.801 ( -3.319 -1.916 1.559) 4.137 7.475 ( 2.535 1.463 -4.578) 5.433 7.754 ( 7.441 4.296 2.863) 9.057 8.836 ( 3.161 1.825 5.283) 6.421 ======================= 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| 1.889 ( -16.293 -9.407 2.327) 18.956 1.902 ( -14.794 -8.542 2.781) 17.308 3.178 ( -18.479 -10.669 1.229) 21.374 3.756 ( -2.304 -1.330 -1.053) 2.861 4.421 ( -15.744 -9.090 0.033) 18.179 5.147 ( 8.467 4.888 -3.006) 10.228 5.990 ( -5.147 -2.972 -4.196) 7.275 6.526 ( 3.336 1.926 -1.972) 4.328 6.739 ( -2.509 -1.448 2.758) 3.999 7.455 ( -2.318 -1.338 -5.769) 6.360 7.936 ( 7.792 4.499 1.252) 9.084 8.955 ( 5.098 2.944 5.592) 8.120 ======================= 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| 0.799 ( 0.000 17.174 16.195) 23.606 0.816 ( 0.000 15.311 15.650) 21.894 1.300 ( 0.000 26.886 21.636) 34.510 3.632 ( -0.000 0.534 -1.330) 1.433 3.705 ( 0.000 6.722 -1.307) 6.848 5.628 ( -0.000 -5.097 0.347) 5.108 5.645 ( -0.000 0.393 -5.022) 5.037 6.613 ( -0.000 20.366 -19.664) 28.310 6.755 ( 0.000 0.258 3.300) 3.310 6.764 ( -0.000 5.132 -6.415) 8.215 8.479 ( 0.000 -5.008 6.487) 8.195 9.168 ( -0.000 -0.113 -3.861) 3.863 ======================= 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| 1.057 ( 4.387 16.568 12.772) 21.374 1.076 ( 5.698 17.328 11.465) 21.545 1.794 ( 15.748 26.699 8.319) 32.094 3.660 ( 2.042 1.555 -1.070) 2.781 3.818 ( 5.289 8.740 0.727) 10.242 5.561 ( -1.207 -5.147 -0.207) 5.290 5.740 ( 9.221 0.620 -3.650) 9.937 6.689 ( -2.279 -0.564 1.211) 2.641 6.765 ( 0.336 1.113 1.838) 2.175 6.874 ( 8.155 13.371 -20.212) 25.570 8.407 ( -3.639 -7.008 5.974) 9.902 9.083 ( -6.847 -2.228 -5.212) 8.888 ======================= 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| 1.353 ( 7.510 14.105 8.509) 18.104 1.408 ( 9.323 17.498 4.540) 20.339 2.338 ( 17.608 21.449 -2.055) 27.826 3.712 ( 1.565 3.335 -0.978) 3.811 4.078 ( 12.603 9.675 4.807) 16.599 5.479 ( -1.974 -6.018 0.840) 6.389 5.914 ( 9.610 3.055 -2.317) 10.346 6.637 ( -2.467 -1.616 1.015) 3.119 6.731 ( -2.978 -1.467 1.140) 3.510 7.131 ( 12.021 10.138 -11.704) 19.603 8.270 ( -5.490 -7.646 5.571) 10.938 8.864 ( -11.865 -3.841 -8.045) 14.841 ======================= 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| 1.636 ( 8.467 11.628 0.763) 14.404 1.758 ( 10.261 15.855 2.371) 19.034 2.807 ( 16.707 16.477 -5.214) 24.037 3.773 ( 1.388 4.532 -0.837) 4.813 4.432 ( 14.305 8.842 5.977) 17.847 5.382 ( -2.609 -6.638 2.594) 7.589 6.105 ( 8.208 4.940 -0.348) 9.586 6.589 ( -0.820 -2.047 0.146) 2.210 6.678 ( -3.129 1.643 1.207) 3.735 7.348 ( 7.526 3.408 -7.879) 11.416 8.122 ( -5.704 -7.380 6.699) 11.484 8.587 ( -10.798 -2.494 -10.792) 15.469 ======================= 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| 1.872 ( 7.756 8.449 -3.343) 11.946 2.077 ( 8.638 14.025 0.811) 16.491 3.207 ( 15.019 12.330 -4.296) 19.901 3.844 ( 1.178 5.694 -0.693) 5.856 4.740 ( 10.282 5.618 3.706) 12.289 5.277 ( -3.058 -7.052 4.514) 8.914 6.277 ( 4.875 5.525 2.567) 7.803 6.583 ( 2.267 -0.805 -0.920) 2.576 6.677 ( -0.715 4.702 0.002) 4.756 7.379 ( -0.701 -1.949 -8.010) 8.274 7.917 ( -11.935 -8.417 3.607) 15.044 8.476 ( 2.410 1.947 -6.016) 6.767 ======================= 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| 2.045 ( 5.790 5.447 -4.097) 8.943 2.330 ( 5.459 12.046 0.012) 13.225 3.523 ( 11.582 6.928 -4.176) 14.128 3.923 ( 0.473 8.004 -1.118) 8.095 4.895 ( 2.318 0.839 -0.195) 2.473 5.186 ( -0.955 -5.962 7.696) 9.782 6.387 ( 0.057 5.635 4.535) 7.234 6.648 ( 5.430 1.154 -1.995) 5.899 6.745 ( 2.764 5.481 -1.396) 6.295 7.282 ( -3.711 -2.818 -8.240) 9.467 7.629 ( -12.179 -6.262 2.619) 13.943 8.586 ( 7.345 1.453 -1.797) 7.700 ======================= 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| 2.155 ( 3.712 3.235 -3.245) 5.897 2.499 ( 1.475 9.906 0.054) 10.016 3.694 ( 6.372 -0.238 -5.721) 8.566 4.005 ( -1.451 10.639 -3.567) 11.314 4.838 ( -4.259 -3.396 -2.530) 6.006 5.207 ( 3.039 -2.641 11.596) 12.275 6.426 ( -3.537 5.444 3.881) 7.564 6.768 ( 7.223 1.749 -2.892) 7.975 6.858 ( 4.633 5.144 -0.452) 6.938 7.129 ( -7.581 -3.648 -8.341) 11.847 7.455 ( -4.468 -1.401 5.908) 7.539 8.698 ( 5.555 -1.000 -1.599) 5.866 ======================= 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| 2.221 ( 2.349 1.610 -1.921) 3.435 2.575 ( -2.982 7.558 0.611) 8.148 3.713 ( 1.973 -4.841 -7.609) 9.232 4.033 ( -5.172 9.217 -5.481) 11.906 4.751 ( -1.138 -1.378 -1.680) 2.453 5.258 ( 0.166 -2.644 12.144) 12.430 6.403 ( -5.732 3.949 2.374) 7.354 6.865 ( 2.282 0.252 -2.814) 3.632 6.915 ( -7.854 -3.469 -4.108) 9.518 7.033 ( 8.184 6.918 -1.511) 10.822 7.458 ( 1.264 1.114 6.676) 6.885 8.742 ( 2.990 -3.220 -1.883) 4.781 ======================= 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| 2.252 ( 0.726 -0.475 -0.576) 1.042 2.547 ( -7.890 4.695 1.330) 9.277 3.636 ( -0.788 -6.380 -7.658) 9.999 3.988 ( -6.812 6.653 -3.473) 10.136 4.761 ( 2.751 1.291 -2.699) 4.064 5.214 ( -6.155 -4.309 9.856) 12.393 6.326 ( -6.926 1.744 0.827) 7.190 6.708 ( -8.742 -1.674 -3.873) 9.707 6.892 ( -0.893 0.341 -0.583) 1.120 7.253 ( 9.357 6.036 -2.514) 11.415 7.542 ( 4.229 1.519 6.269) 7.713 8.744 ( 2.592 -3.957 -0.433) 4.751 ======================= 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| 2.214 ( -3.474 -3.452 0.306) 4.907 2.400 ( -13.076 0.758 1.926) 13.239 3.521 ( -3.281 -6.060 -4.489) 8.225 3.918 ( -6.874 4.834 -1.590) 8.553 4.831 ( 2.940 1.838 -3.981) 5.279 5.029 ( -10.802 -5.838 6.294) 13.798 6.213 ( -7.326 0.586 -0.531) 7.368 6.561 ( -5.892 0.466 -2.895) 6.581 6.854 ( -3.468 0.052 0.653) 3.529 7.418 ( 5.096 3.256 -4.956) 7.819 7.672 ( 6.808 1.854 4.370) 8.300 8.775 ( 4.926 -2.801 2.471) 6.182 ======================= 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| 2.054 ( -10.139 -5.804 0.814) 11.711 2.127 ( -17.718 -3.634 2.395) 18.245 3.343 ( -10.292 -6.842 -1.592) 12.461 3.841 ( -6.298 3.561 -0.831) 7.283 4.631 ( -17.490 -7.108 1.153) 18.914 5.031 ( 7.884 2.758 -1.105) 8.425 6.088 ( -7.765 1.140 -2.044) 8.110 6.509 ( -0.483 1.940 -2.099) 2.898 6.791 ( -3.805 -0.416 1.810) 4.234 7.455 ( -0.332 0.343 -5.962) 5.981 7.836 ( 8.331 2.305 2.099) 8.895 8.872 ( 7.215 -1.511 3.350) 8.097 ======================= 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| 1.233 ( 0.000 17.658 9.046) 19.840 1.253 ( 0.000 18.271 11.283) 21.474 1.996 ( 0.000 32.046 6.049) 32.612 3.642 ( -0.000 1.399 -1.339) 1.937 3.884 ( 0.000 11.413 1.026) 11.459 5.511 ( -0.000 -6.976 0.831) 7.025 5.656 ( -0.000 3.949 -3.782) 5.468 6.698 ( -0.000 -3.252 0.170) 3.256 6.774 ( 0.000 -0.325 2.520) 2.541 6.891 ( -0.000 15.773 -16.918) 23.130 8.375 ( 0.000 -9.347 5.434) 10.812 9.108 ( -0.000 -2.543 -5.870) 6.398 ======================= 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| 1.470 ( 2.426 17.297 9.006) 19.652 1.486 ( 4.211 17.362 4.950) 18.539 2.373 ( 6.496 28.125 -1.827) 28.924 3.693 ( 3.705 2.501 -1.090) 4.601 4.050 ( 4.783 13.137 3.744) 14.473 5.436 ( -0.723 -7.597 1.383) 7.755 5.775 ( 8.492 5.088 -2.343) 10.173 6.643 ( -1.333 -4.452 0.445) 4.669 6.766 ( -1.357 -0.147 1.369) 1.933 7.044 ( 6.164 12.190 -11.199) 17.663 8.269 ( -2.645 -10.234 4.674) 11.558 8.985 ( -8.038 -3.260 -7.335) 11.360 ======================= 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| 1.681 ( 2.646 13.765 2.626) 14.261 1.791 ( 7.712 18.045 4.039) 20.035 2.746 ( 9.762 21.630 -5.570) 24.376 3.786 ( 3.058 4.556 -1.201) 5.617 4.330 ( 10.363 12.216 5.120) 16.818 5.347 ( -1.237 -8.233 2.582) 8.717 5.995 ( 10.255 6.501 -0.812) 12.169 6.580 ( -1.128 -3.853 0.801) 4.094 6.747 ( -1.903 1.993 0.586) 2.817 7.228 ( 7.433 5.491 -7.710) 12.035 8.132 ( -3.211 -9.625 5.064) 11.340 8.741 ( -12.574 -2.523 -9.057) 15.701 ======================= 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| 1.859 ( 3.955 10.376 -1.440) 11.197 2.112 ( 7.198 17.723 2.679) 19.316 3.101 ( 11.615 15.735 -4.126) 19.988 3.881 ( 2.144 6.846 -1.155) 7.266 4.634 ( 10.307 8.329 2.907) 13.567 5.249 ( -1.642 -8.643 3.809) 9.587 6.230 ( 8.510 7.531 1.173) 11.424 6.545 ( 0.533 -1.977 0.007) 2.048 6.752 ( -1.477 4.870 -0.012) 5.089 7.316 ( 2.785 -1.121 -7.594) 8.166 7.995 ( -5.240 -9.264 5.303) 11.891 8.509 ( -7.459 0.706 -7.706) 10.748 ======================= 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| 2.010 ( 4.176 7.291 -2.695) 8.823 2.395 ( 4.707 16.733 1.552) 17.452 3.409 ( 10.059 9.599 -2.192) 14.076 3.994 ( 1.798 10.044 -1.392) 10.299 4.843 ( 5.971 3.649 0.223) 7.002 5.146 ( -1.369 -9.039 4.563) 10.218 6.429 ( 4.578 7.030 4.056) 9.319 6.569 ( 3.733 0.880 -2.719) 4.701 6.791 ( -0.720 6.539 -0.344) 6.587 7.271 ( -1.386 -2.935 -7.983) 8.618 7.776 ( -10.888 -7.377 2.417) 13.372 8.484 ( 3.816 0.927 -2.003) 4.408 ======================= 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| 2.125 ( 3.200 4.819 -2.497) 6.301 2.610 ( 1.152 15.218 1.186) 15.307 3.597 ( 5.230 2.891 -2.366) 6.427 4.125 ( 0.205 13.142 -3.240) 13.537 4.867 ( -3.699 -2.190 -2.888) 5.179 5.119 ( 5.782 -6.155 8.202) 11.772 6.538 ( -0.020 4.931 2.992) 5.767 6.675 ( 5.699 4.709 -2.564) 7.825 6.850 ( 1.188 4.725 0.303) 4.881 7.180 ( -4.038 -1.035 -7.966) 8.990 7.558 ( -7.925 -3.211 3.620) 9.286 8.571 ( 6.147 -2.166 -0.536) 6.539 ======================= 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| 2.200 ( 1.929 2.904 -1.906) 3.973 2.740 ( -3.114 13.279 1.544) 13.726 3.637 ( 0.704 -2.044 -4.159) 4.687 4.203 ( -4.580 12.025 -6.262) 14.310 4.758 ( -2.809 -2.685 -1.858) 4.307 5.213 ( 5.822 -4.254 10.108) 12.417 6.548 ( -4.370 3.504 0.431) 5.618 6.812 ( 4.652 5.057 -0.838) 6.922 6.929 ( 3.458 0.006 0.935) 3.582 7.062 ( -6.210 4.301 -6.291) 9.830 7.485 ( -1.273 0.291 4.783) 4.958 8.625 ( 4.608 -5.218 -1.220) 7.067 ======================= 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| 2.237 ( 0.729 1.046 -1.311) 1.829 2.770 ( -8.128 10.359 2.192) 13.349 3.576 ( -1.331 -4.458 -5.491) 7.197 4.172 ( -7.555 8.437 -5.574) 12.623 4.729 ( 1.103 0.340 -1.495) 1.889 5.262 ( 0.099 -4.247 9.111) 10.053 6.469 ( -6.967 0.960 -0.122) 7.034 6.848 ( -7.654 -0.560 -2.845) 8.185 6.911 ( 0.269 5.125 0.696) 5.179 7.152 ( 7.546 6.429 -2.705) 10.276 7.519 ( 2.041 0.932 4.914) 5.402 8.628 ( 3.827 -6.866 -1.188) 7.950 ======================= 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| 2.229 ( -1.496 -1.121 -0.908) 2.079 2.671 ( -13.593 5.421 2.352) 14.822 3.492 ( -1.445 -3.858 -4.041) 5.771 4.095 ( -7.874 6.100 -3.050) 10.417 4.777 ( 3.498 2.062 -2.348) 4.691 5.173 ( -8.148 -5.278 6.313) 11.580 6.347 ( -7.335 -0.024 0.381) 7.345 6.699 ( -8.750 1.877 -2.669) 9.339 6.932 ( -3.461 3.848 0.841) 5.243 7.329 ( 7.283 4.288 -5.251) 9.950 7.598 ( 4.599 0.296 4.775) 6.636 8.638 ( 5.731 -6.240 0.322) 8.479 ======================= 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| 2.145 ( -5.904 -2.986 -0.773) 6.661 2.430 ( -18.174 0.181 2.155) 18.302 3.407 ( -4.450 -2.872 -2.156) 5.718 4.004 ( -7.818 4.374 -1.421) 9.071 4.830 ( -5.333 -0.059 -2.083) 5.726 4.972 ( -4.119 -2.726 4.068) 6.399 6.231 ( -7.062 1.119 0.794) 7.194 6.581 ( -6.020 2.540 -2.662) 7.055 6.880 ( -5.611 1.512 0.990) 5.895 7.427 ( 2.659 2.100 -6.510) 7.339 7.719 ( 7.504 0.339 3.485) 8.281 8.709 ( 8.305 -4.745 0.738) 9.594 ======================= 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| 1.624 ( 0.000 17.157 3.833) 17.580 1.650 ( 0.000 15.608 5.142) 16.433 2.599 ( 0.000 27.385 -4.637) 27.775 3.671 ( -0.000 2.369 -0.928) 2.544 4.177 ( 0.000 16.195 4.993) 16.947 5.369 ( 0.000 -8.357 2.549) 8.737 5.756 ( 0.000 7.718 -0.877) 7.768 6.606 ( -0.000 -5.186 1.026) 5.287 6.778 ( 0.000 -0.369 0.790) 0.872 7.077 ( -0.000 10.819 -9.093) 14.133 8.196 ( 0.000 -11.245 3.460) 11.765 8.997 ( -0.000 -3.636 -7.928) 8.722 ======================= 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| 1.798 ( 0.204 12.509 0.587) 12.525 1.861 ( 5.765 16.947 2.974) 18.146 2.848 ( 2.571 22.221 -6.590) 23.320 3.742 ( 4.852 3.120 -0.951) 5.847 4.386 ( 2.604 17.019 5.601) 18.105 5.289 ( -0.679 -8.594 3.753) 9.402 5.910 ( 7.488 8.893 0.683) 11.646 6.558 ( -0.543 -4.176 1.782) 4.572 6.776 ( -0.001 0.588 -0.315) 0.667 7.169 ( 3.251 5.990 -6.903) 9.701 8.083 ( -1.384 -10.591 3.016) 11.099 8.865 ( -7.625 -3.085 -8.654) 11.939 ======================= 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| 1.913 ( 1.168 9.482 -1.938) 9.748 2.165 ( 8.326 16.963 2.229) 19.027 3.096 ( 6.187 16.578 -4.373) 18.227 3.870 ( 5.607 4.638 -1.199) 7.375 4.617 ( 4.334 13.145 2.751) 14.112 5.204 ( -1.343 -7.836 4.703) 9.238 6.160 ( 9.558 9.386 1.992) 13.543 6.523 ( -0.209 -2.239 1.327) 2.611 6.798 ( 0.850 3.015 -1.118) 3.327 7.233 ( 2.825 -0.154 -6.308) 6.913 7.969 ( -1.639 -9.457 3.602) 10.251 8.650 ( -10.417 -0.778 -7.893) 13.093 ======================= 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| 2.020 ( 2.486 7.222 -2.301) 7.977 2.476 ( 6.988 16.831 1.657) 18.299 3.350 ( 7.965 10.630 -1.119) 13.330 4.021 ( 5.598 7.706 -0.918) 9.569 4.793 ( 4.479 6.008 -0.316) 7.501 5.113 ( -3.023 -6.453 3.784) 8.069 6.410 ( 7.443 8.142 4.175) 11.795 6.523 ( 1.601 0.560 -1.440) 2.225 6.855 ( 0.950 5.652 -1.364) 5.891 7.219 ( 0.749 -3.205 -6.659) 7.428 7.841 ( -4.790 -8.601 2.618) 10.187 8.493 ( -4.722 1.193 -3.705) 6.120 ======================= 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| 2.121 ( 2.603 5.324 -1.734) 6.175 2.738 ( 3.634 16.205 1.396) 16.666 3.542 ( 5.255 4.414 0.070) 6.863 4.209 ( 4.808 11.911 -1.072) 12.889 4.896 ( 2.215 2.170 -1.778) 3.575 4.992 ( -2.087 -8.408 2.962) 9.155 6.535 ( 2.516 1.102 0.668) 2.826 6.643 ( 5.907 7.690 0.961) 9.744 6.906 ( -1.275 4.456 -0.954) 4.732 7.186 ( 0.455 0.484 -6.477) 6.511 7.664 ( -7.388 -5.273 1.731) 9.240 8.474 ( 1.961 -1.264 -0.088) 2.335 ======================= 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| 2.198 ( 1.667 3.619 -1.213) 4.165 2.926 ( -0.534 15.007 1.829) 15.127 3.608 ( 0.537 -0.654 -1.060) 1.356 4.373 ( -1.233 13.784 -3.949) 14.391 4.795 ( -6.321 -2.606 -2.718) 7.357 5.046 ( 10.049 -6.313 6.213) 13.396 6.584 ( 1.500 1.188 -2.142) 2.873 6.810 ( 4.476 6.169 2.731) 8.097 6.895 ( -0.929 -0.440 -0.639) 1.211 7.195 ( -2.922 7.836 -5.120) 9.805 7.536 ( -3.739 -1.463 2.672) 4.823 8.495 ( 3.472 -5.227 0.114) 6.277 ======================= 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| 2.240 ( 0.424 2.012 -0.951) 2.266 3.021 ( -5.831 12.833 2.762) 14.364 3.555 ( -2.448 -3.838 -2.885) 5.389 4.383 ( -8.669 10.036 -5.682) 14.428 4.717 ( -0.151 -0.425 -0.841) 0.955 5.173 ( 7.790 -5.461 6.376) 11.453 6.565 ( -3.875 0.039 -1.313) 4.092 6.877 ( -0.237 -0.289 -3.022) 3.045 6.943 ( 4.522 2.310 3.465) 6.147 7.205 ( -4.431 11.635 -3.022) 12.812 7.520 ( 0.411 0.498 2.824) 2.897 8.486 ( 3.394 -7.775 -0.450) 8.495 ======================= 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| 2.244 ( -1.030 0.456 -0.941) 1.468 2.974 ( -12.825 7.114 2.639) 14.902 3.474 ( -1.262 -2.448 -2.219) 3.537 4.290 ( -9.068 6.361 -3.061) 11.492 4.742 ( 2.098 1.714 -1.192) 2.959 5.211 ( 0.195 -5.316 3.815) 6.546 6.466 ( -6.629 -0.267 0.803) 6.682 6.821 ( -4.703 -0.037 -3.228) 5.704 7.030 ( 0.393 3.104 1.623) 3.525 7.271 ( 1.409 8.609 -4.168) 9.668 7.554 ( 2.143 -0.439 3.224) 3.896 8.476 ( 4.907 -7.139 -0.012) 8.662 ======================= 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| 2.202 ( -3.484 -0.763 -1.270) 3.786 2.751 ( -17.459 0.570 1.543) 17.536 3.444 ( -1.848 0.623 -0.020) 1.950 4.181 ( -8.740 3.861 -1.194) 9.629 4.812 ( 3.984 2.732 -1.020) 4.937 5.095 ( -8.241 -5.188 1.680) 9.882 6.358 ( -6.517 0.724 2.543) 7.033 6.712 ( -6.963 1.278 -3.037) 7.703 7.007 ( -5.741 1.247 -0.007) 5.875 7.370 ( 3.918 4.334 -6.483) 8.727 7.616 ( 5.290 -1.499 3.989) 6.793 8.524 ( 7.176 -4.527 -0.094) 8.485 ======================= 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| 1.921 ( 0.000 10.263 -2.007) 10.458 1.956 ( 0.000 14.820 0.161) 14.821 3.009 ( -0.000 18.304 -7.117) 19.639 3.724 ( 0.000 3.348 -0.154) 3.352 4.570 ( 0.000 17.948 5.771) 18.853 5.229 ( 0.000 -7.475 5.311) 9.169 5.944 ( 0.000 10.478 2.310) 10.730 6.534 ( 0.000 -3.026 2.865) 4.167 6.770 ( -0.000 -0.220 -1.406) 1.423 7.173 ( -0.000 3.783 -5.992) 7.086 7.999 ( -0.000 -9.862 1.612) 9.993 8.869 ( -0.000 -3.227 -8.684) 9.264 ======================= 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| 1.982 ( -0.544 7.433 -3.943) 8.432 2.175 ( 7.982 13.741 -0.535) 15.900 3.165 ( 2.230 13.753 -4.440) 14.623 3.805 ( 4.966 3.595 -0.313) 6.138 4.736 ( -0.472 11.854 3.073) 12.255 5.187 ( -1.132 -2.440 6.325) 6.873 6.123 ( 6.671 10.774 3.413) 13.124 6.519 ( -0.442 -1.125 2.833) 3.080 6.780 ( 2.061 0.640 -2.219) 3.095 7.182 ( 0.752 -0.219 -5.397) 5.454 7.906 ( -0.655 -8.455 1.236) 8.570 8.757 ( -6.066 -1.965 -7.718) 10.011 ======================= 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| 2.042 ( 1.491 5.678 -3.270) 6.720 2.476 ( 10.755 13.461 -0.409) 17.235 3.334 ( 5.074 8.996 -0.518) 10.342 3.953 ( 7.841 4.236 -0.421) 8.921 4.802 ( 0.207 1.603 0.898) 1.849 5.175 ( -4.360 4.251 3.883) 7.222 6.375 ( 8.219 9.499 4.389) 13.306 6.517 ( -0.186 1.043 0.629) 1.232 6.846 ( 4.280 2.903 -2.231) 5.632 7.154 ( 0.337 -3.375 -5.046) 6.080 7.813 ( -1.569 -7.645 0.918) 7.858 8.603 ( -7.422 0.172 -4.694) 8.783 ======================= 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| 2.121 ( 2.555 4.567 -1.755) 5.519 2.783 ( 9.035 13.382 -0.321) 16.149 3.496 ( 5.353 3.841 1.860) 6.846 4.161 ( 10.547 6.151 0.585) 12.224 4.810 ( 2.463 -4.165 1.331) 5.019 5.112 ( -9.482 5.183 -1.403) 10.896 6.519 ( 0.902 1.500 1.190) 2.117 6.620 ( 6.347 7.957 2.204) 10.414 6.941 ( 1.779 3.620 -2.338) 4.662 7.126 ( 3.344 -1.603 -4.198) 5.601 7.701 ( -3.497 -6.198 0.202) 7.120 8.494 ( -4.429 0.269 -0.911) 4.529 ======================= 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| 2.198 ( 2.091 3.363 -0.773) 4.035 3.036 ( 5.022 12.923 0.147) 13.866 3.583 ( 1.943 -0.912 1.455) 2.593 4.424 ( 9.568 9.063 0.860) 13.207 4.828 ( 5.621 -7.637 2.890) 9.913 4.952 ( -11.729 3.694 -4.560) 13.115 6.559 ( 1.819 2.276 -1.726) 3.386 6.784 ( 4.425 3.074 4.610) 7.091 6.928 ( -2.420 0.523 -3.054) 3.932 7.237 ( 5.622 6.815 -2.890) 9.296 7.588 ( -3.843 -3.165 0.416) 4.997 8.435 ( -1.556 -2.832 0.664) 3.299 ======================= 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| 2.249 ( 0.830 2.035 -0.427) 2.239 3.208 ( 0.102 11.903 1.398) 11.985 3.551 ( -2.264 -4.837 -0.393) 5.355 4.605 ( -2.478 11.561 -2.436) 12.072 4.743 ( -6.926 -0.867 -1.484) 7.136 4.947 ( 11.555 -6.938 3.059) 13.821 6.601 ( 0.165 2.343 -1.616) 2.851 6.838 ( 1.636 -3.289 0.783) 3.756 6.924 ( 0.817 2.885 0.241) 3.008 7.371 ( -0.233 10.335 -1.998) 10.529 7.528 ( -0.795 -0.781 1.120) 1.580 8.379 ( 0.199 -6.047 0.435) 6.066 ======================= 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| 2.264 ( -0.555 0.849 -0.474) 1.120 3.243 ( -9.464 5.664 1.822) 11.178 3.461 ( -0.308 -2.689 -0.550) 2.762 4.523 ( -11.728 6.554 -1.439) 13.512 4.727 ( 1.334 1.670 -0.508) 2.197 5.081 ( 8.909 -6.123 0.852) 10.843 6.577 ( -4.994 1.635 1.469) 5.456 6.840 ( 0.959 -0.496 -4.656) 4.780 6.976 ( 3.727 -0.968 1.946) 4.315 7.411 ( -4.482 8.712 -1.720) 9.947 7.533 ( 0.503 -0.985 1.273) 1.686 8.346 ( 2.914 -5.001 0.560) 5.815 ======================= 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| 2.244 ( -2.107 0.122 -0.908) 2.298 3.027 ( -14.989 -3.046 0.183) 15.296 3.484 ( 0.015 3.356 2.249) 4.040 4.382 ( -10.619 3.613 0.648) 11.236 4.777 ( 2.715 2.045 0.211) 3.405 5.105 ( 0.804 -5.480 -2.380) 6.029 6.496 ( -6.873 1.918 3.426) 7.915 6.804 ( -3.578 0.854 -3.922) 5.378 7.025 ( 2.394 -2.916 -1.263) 3.979 7.394 ( -3.365 4.497 -3.816) 6.791 7.532 ( 2.628 -3.946 2.497) 5.358 8.395 ( 5.067 -0.100 0.794) 5.130 ======================= 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| 2.036 ( -0.000 4.750 -6.000) 7.653 2.211 ( 0.000 11.260 -1.551) 11.366 3.250 ( -0.000 9.753 -2.767) 10.138 3.797 ( 0.000 3.747 0.471) 3.777 4.819 ( 0.000 0.806 2.565) 2.689 5.254 ( 0.000 8.753 6.260) 10.762 6.186 ( 0.000 11.068 4.482) 11.941 6.534 ( 0.000 0.810 3.852) 3.936 6.748 ( -0.000 -0.379 -3.387) 3.408 7.152 ( -0.000 -1.700 -4.839) 5.129 7.837 ( -0.000 -6.878 -0.273) 6.884 8.763 ( -0.000 -2.069 -6.745) 7.055 ======================= 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| 2.057 ( 0.627 3.608 -4.512) 5.811 2.398 ( 9.611 9.611 -1.856) 13.718 3.344 ( 2.420 5.866 0.415) 6.359 3.876 ( 4.679 3.394 0.341) 5.790 4.796 ( -0.472 -4.331 2.323) 4.937 5.351 ( -3.896 11.930 2.897) 12.880 6.362 ( 5.722 9.812 4.722) 12.301 6.552 ( -1.133 2.473 2.592) 3.757 6.772 ( 4.360 0.349 -2.921) 5.260 7.108 ( -0.464 -3.313 -4.263) 5.419 7.766 ( -0.822 -5.666 -1.142) 5.838 8.688 ( -4.232 -0.920 -4.335) 6.127 ======================= 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| 2.109 ( 2.562 3.293 -1.973) 4.615 2.690 ( 13.477 8.888 -1.947) 16.261 3.450 ( 4.262 2.009 3.163) 5.675 4.027 ( 9.156 2.989 0.832) 9.667 4.754 ( 0.147 -4.444 1.900) 4.836 5.350 ( -9.071 9.287 -1.411) 13.059 6.536 ( 1.040 2.397 3.294) 4.204 6.606 ( 4.661 8.109 1.183) 9.428 6.885 ( 7.458 2.463 -1.445) 7.986 7.049 ( -0.033 -4.041 -3.308) 5.222 7.687 ( -1.867 -4.580 -1.684) 5.225 8.587 ( -5.607 0.130 -1.284) 5.754 ======================= 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| 2.184 ( 2.784 2.625 -0.456) 3.853 2.994 ( 11.949 8.519 -2.138) 14.829 3.531 ( 3.185 -1.856 3.491) 5.077 4.260 ( 13.958 2.554 2.443) 14.398 4.729 ( 0.932 -3.691 1.315) 4.027 5.219 ( -13.427 6.228 -4.017) 15.336 6.561 ( 0.418 2.236 -0.496) 2.328 6.761 ( 3.440 3.289 4.083) 6.271 6.956 ( -1.228 1.067 -3.151) 3.547 7.120 ( 11.474 1.845 -0.555) 11.634 7.607 ( -2.365 -2.701 -1.563) 3.915 8.488 ( -5.619 -0.692 0.437) 5.678 ======================= 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| 2.244 ( 1.744 1.501 0.022) 2.301 3.239 ( 7.901 7.628 -1.564) 11.093 3.528 ( -0.780 -5.341 1.771) 5.681 4.552 ( 15.480 1.815 2.445) 15.777 4.721 ( 1.873 -3.466 0.684) 3.999 5.012 ( -14.821 4.843 -3.093) 15.896 6.603 ( 1.993 2.814 -1.699) 3.844 6.797 ( -0.072 -3.110 3.782) 4.897 6.951 ( -0.724 2.774 -1.648) 3.307 7.351 ( 10.186 4.406 -0.033) 11.098 7.549 ( -2.004 -0.496 -0.861) 2.237 8.380 ( -4.975 -2.637 0.330) 5.641 ======================= 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| 2.272 ( 0.390 0.430 0.000) 0.581 3.407 ( -3.825 3.585 0.123) 5.243 3.408 ( 2.292 -5.279 -0.124) 5.756 4.717 ( 0.250 0.161 0.011) 0.297 4.806 ( -5.896 -2.402 -0.004) 6.366 4.822 ( 6.908 3.602 -0.006) 7.790 6.664 ( 0.373 4.203 0.135) 4.222 6.768 ( 1.069 -3.604 -0.241) 3.767 6.953 ( -0.515 0.216 0.112) 0.570 7.506 ( 2.372 1.969 0.079) 3.084 7.517 ( -1.109 -0.230 -0.086) 1.136 8.297 ( -1.065 -1.254 0.000) 1.645 ======================= 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| 2.268 ( -0.874 -0.092 -0.302) 0.929 3.185 ( -9.956 -8.910 -0.470) 13.369 3.517 ( 1.988 4.950 1.618) 5.574 4.614 ( -11.658 1.732 2.067) 11.966 4.752 ( 2.102 -0.746 0.980) 2.436 4.971 ( 6.935 -1.987 -3.845) 8.175 6.651 ( -6.471 3.212 4.319) 8.417 6.793 ( 4.120 -0.559 -5.652) 7.016 6.950 ( 1.082 -1.857 0.436) 2.193 7.463 ( -3.551 -6.395 -0.615) 7.340 7.489 ( -1.564 -0.337 -0.007) 1.599 8.347 ( 3.981 4.741 0.691) 6.229 ======================= 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| 2.063 ( -0.000 2.252 -3.954) 4.551 2.384 ( 0.000 7.289 -1.426) 7.427 3.370 ( 0.000 2.836 2.287) 3.643 3.869 ( 0.000 2.877 0.471) 2.915 4.759 ( 0.000 -5.135 2.592) 5.753 5.514 ( 0.000 11.262 0.347) 11.267 6.418 ( 0.000 8.362 4.208) 9.361 6.612 ( 0.000 3.811 4.404) 5.824 6.712 ( -0.000 -0.439 -3.648) 3.675 7.067 ( -0.000 -3.250 -3.794) 4.995 7.720 ( -0.000 -3.892 -2.495) 4.623 8.701 ( -0.000 -0.919 -2.644) 2.799 ======================= 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| 2.092 ( 1.825 2.472 -1.247) 3.316 2.536 ( 10.260 5.474 -1.426) 11.716 3.417 ( 2.202 0.447 4.435) 4.971 3.935 ( 4.669 1.973 0.549) 5.099 4.721 ( -0.063 -3.697 2.161) 4.283 5.557 ( -5.381 7.382 -2.882) 9.579 6.530 ( 3.342 2.975 1.752) 4.805 6.645 ( -0.179 5.622 2.076) 5.996 6.770 ( 6.077 0.610 0.943) 6.180 7.018 ( -0.946 -2.326 -3.304) 4.150 7.670 ( -1.124 -2.429 -3.142) 4.128 8.661 ( -3.180 -0.152 -0.385) 3.207 ======================= 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| 2.157 ( 2.782 2.229 0.438) 3.592 2.804 ( 15.088 4.042 -2.183) 15.772 3.473 ( 2.706 -1.844 5.022) 5.995 4.076 ( 9.746 0.945 1.890) 9.973 4.700 ( 0.169 -1.911 1.472) 2.418 5.463 ( -9.972 3.687 -4.891) 11.703 6.563 ( 0.778 -0.894 -0.400) 1.251 6.762 ( 2.791 5.357 2.887) 6.695 6.916 ( 11.167 -1.695 1.704) 11.422 6.981 ( -1.084 2.116 -2.180) 3.226 7.616 ( -1.835 -0.907 -3.029) 3.656 8.588 ( -5.524 0.004 0.888) 5.595 ======================= 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| 2.221 ( 2.292 1.061 0.757) 2.636 3.082 ( 14.030 1.599 -2.892) 14.414 3.491 ( 0.633 -3.661 3.103) 4.841 4.293 ( 13.847 -1.093 3.021) 14.215 4.699 ( 0.408 -0.127 0.831) 0.935 5.279 ( -12.240 2.139 -3.809) 12.996 6.570 ( 2.075 -1.530 -1.498) 2.982 6.803 ( -0.726 -0.940 3.955) 4.130 6.989 ( -0.371 3.330 -1.131) 3.537 7.158 ( 13.978 1.691 1.442) 14.153 7.574 ( -1.714 0.489 -2.206) 2.836 8.476 ( -7.201 -0.724 0.480) 7.254 ======================= 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| 2.258 ( 1.285 -0.212 0.551) 1.414 3.259 ( 8.143 -6.608 -1.233) 10.559 3.460 ( -0.744 0.270 -0.354) 0.867 4.512 ( 13.366 -5.480 0.662) 14.460 4.722 ( 1.118 2.014 0.491) 2.355 5.085 ( -11.826 2.853 0.146) 12.166 6.599 ( 4.554 -2.478 -2.808) 5.896 6.791 ( -1.300 0.021 4.846) 5.018 6.988 ( -2.522 1.873 -0.543) 3.188 7.394 ( 10.306 -0.128 1.625) 10.434 7.545 ( -1.885 0.089 -1.083) 2.175 8.352 ( -5.513 0.412 -0.722) 5.575 ======================= 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| 2.100 ( 0.000 2.872 0.853) 2.996 2.482 ( 0.000 3.208 -0.416) 3.235 3.417 ( 0.000 -0.256 6.074) 6.079 3.909 ( 0.000 0.857 0.062) 0.859 4.698 ( 0.000 -2.323 2.041) 3.092 5.642 ( -0.000 2.860 -5.451) 6.156 6.508 ( -0.000 -0.840 -2.729) 2.856 6.705 ( 0.000 0.580 5.201) 5.233 6.731 ( 0.000 3.439 2.512) 4.259 7.009 ( -0.000 1.171 -2.695) 2.938 7.653 ( -0.000 -0.616 -3.868) 3.917 8.691 ( 0.000 0.393 1.140) 1.206 ======================= 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| 2.149 ( 1.302 2.841 2.199) 3.821 2.596 ( 10.263 1.161 -0.580) 10.345 3.446 ( 1.052 -0.952 6.773) 6.920 3.957 ( 5.206 -0.133 0.694) 5.253 4.690 ( 0.109 -0.734 1.671) 1.829 5.582 ( -4.804 -1.482 -7.209) 8.789 6.500 ( 2.743 -3.907 -3.369) 5.843 6.747 ( 5.331 -3.213 3.147) 6.974 6.789 ( 1.105 2.936 3.771) 4.905 7.031 ( -0.626 5.656 -0.405) 5.705 7.631 ( -1.184 0.868 -3.903) 4.170 8.675 ( -3.390 0.934 1.938) 4.015 ======================= 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| 2.202 ( 1.477 1.176 1.992) 2.744 2.814 ( 14.638 -1.924 -1.897) 14.885 3.464 ( 0.360 -2.070 4.710) 5.157 4.089 ( 9.854 -1.149 2.596) 10.255 4.699 ( 0.345 0.902 1.293) 1.613 5.423 ( -7.164 -3.775 -6.303) 10.262 6.492 ( 2.576 -4.925 -2.261) 6.001 6.782 ( 2.880 -5.723 3.308) 7.210 6.914 ( 8.746 2.410 0.291) 9.076 7.094 ( 0.064 7.134 2.944) 7.718 7.607 ( -1.764 1.959 -3.399) 4.302 8.601 ( -6.791 0.706 1.331) 6.956 ======================= 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| 2.233 ( 1.276 -0.763 1.323) 1.991 2.999 ( 12.185 -8.191 -2.195) 14.845 3.457 ( 0.210 -1.020 1.017) 1.456 4.262 ( 11.061 -3.642 2.266) 11.863 4.730 ( 0.788 2.597 1.035) 2.905 5.244 ( -7.092 -3.726 -2.557) 8.409 6.483 ( 3.401 -5.144 -2.472) 6.644 6.785 ( 1.933 -3.801 3.800) 5.712 7.039 ( 1.778 1.167 -0.199) 2.136 7.229 ( 7.962 4.121 4.108) 9.862 7.584 ( -2.225 1.947 -2.648) 3.970 8.477 ( -8.056 0.984 -0.065) 8.116 ======================= 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| 2.183 ( 0.000 3.464 3.476) 4.908 2.502 ( -0.000 -1.361 0.298) 1.393 3.460 ( 0.000 -0.309 8.418) 8.424 3.903 ( -0.000 -1.353 -0.148) 1.361 4.694 ( 0.000 0.599 1.721) 1.822 5.553 ( -0.000 -6.585 -9.090) 11.225 6.406 ( -0.000 -5.568 -4.498) 7.158 6.666 ( 0.000 -6.282 3.230) 7.064 6.819 ( 0.000 2.060 3.793) 4.317 7.106 ( 0.000 7.753 1.505) 7.898 7.644 ( -0.000 2.322 -4.149) 4.755 8.729 ( 0.000 2.052 2.400) 3.158 ======================= 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| 2.215 ( -0.585 1.342 2.951) 3.294 2.566 ( 9.546 -4.072 -0.423) 10.387 3.474 ( -0.990 -1.197 7.076) 7.244 3.942 ( 6.240 -1.914 1.245) 6.645 4.715 ( 0.190 2.158 1.735) 2.775 5.411 ( -2.648 -9.885 -8.766) 13.475 6.369 ( 3.619 -6.464 -3.301) 8.111 6.642 ( 3.915 -7.037 2.351) 8.389 6.860 ( 2.152 0.884 2.429) 3.364 7.190 ( -0.466 7.930 3.798) 8.805 7.648 ( -1.256 3.429 -3.981) 5.402 8.722 ( -4.421 2.449 1.666) 5.322 ======================= 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| 2.215 ( -0.026 -1.656 1.914) 2.531 2.693 ( 11.866 -9.140 -1.910) 15.100 3.454 ( -0.974 -2.036 3.313) 4.009 4.066 ( 9.200 -2.981 2.573) 10.008 4.756 ( 0.457 3.741 1.770) 4.164 5.235 ( -2.343 -10.781 -5.823) 12.475 6.360 ( 3.623 -6.239 -2.268) 7.563 6.671 ( 5.754 -6.598 2.784) 9.187 6.936 ( 5.901 -0.905 0.130) 5.971 7.273 ( -0.335 7.169 5.878) 9.277 7.642 ( -2.285 3.967 -3.774) 5.933 8.638 ( -8.187 2.515 0.426) 8.575 ======================= 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| 2.247 ( 0.000 -0.219 2.395) 2.405 2.423 ( -0.000 -6.906 -0.004) 6.906 3.503 ( 0.000 -1.857 8.276) 8.482 3.861 ( -0.000 -2.713 0.195) 2.720 4.748 ( 0.000 3.538 2.258) 4.197 5.279 ( -0.000 -14.012 -9.372) 16.857 6.252 ( -0.000 -7.182 -2.518) 7.611 6.553 ( 0.000 -5.980 2.054) 6.323 6.849 ( 0.000 -1.033 1.985) 2.238 7.283 ( 0.000 7.003 4.866) 8.528 7.687 ( -0.000 4.736 -3.875) 6.119 8.797 ( 0.000 3.608 0.757) 3.686 ======================= 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| 2.209 ( -1.562 -4.182 1.347) 4.663 2.417 ( 7.767 -10.602 -1.301) 13.207 3.471 ( -2.417 -4.090 5.163) 7.016 3.902 ( 6.958 -3.084 1.534) 7.764 4.796 ( 0.332 3.481 2.752) 4.450 5.100 ( -0.253 -14.255 -7.432) 16.078 6.216 ( 4.286 -6.996 -1.122) 8.280 6.536 ( 3.306 -4.535 2.107) 5.995 6.855 ( 2.186 -2.170 0.396) 3.106 7.361 ( -0.108 5.200 6.101) 8.017 7.713 ( -1.660 5.839 -3.600) 7.057 8.790 ( -5.196 4.049 -0.621) 6.616 ======================= 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| 2.171 ( -0.000 -8.545 -0.422) 8.555 2.221 ( -0.000 -13.145 -1.171) 13.197 3.456 ( 0.000 -8.419 4.244) 9.429 3.806 ( 0.000 -2.970 0.794) 3.074 4.777 ( -0.000 -11.126 0.178) 11.128 4.991 ( -0.000 -0.344 -2.728) 2.750 6.102 ( -0.000 -7.071 0.840) 7.120 6.487 ( 0.000 -1.457 1.874) 2.374 6.812 ( -0.000 -2.915 -0.505) 2.959 7.420 ( 0.000 2.399 6.199) 6.647 7.784 ( -0.000 7.403 -2.793) 7.912 8.876 ( -0.000 4.866 -2.545) 5.491 ======================= 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| 0.690 ( 0.000 0.000 20.135) 20.135 0.690 ( 0.000 0.000 20.135) 20.135 1.125 ( 0.000 0.000 33.708) 33.708 3.625 ( -0.000 -0.000 -1.390) 1.390 3.625 ( -0.000 -0.000 -1.390) 1.390 5.653 ( -0.000 -0.000 -4.673) 4.673 5.653 ( -0.000 -0.000 -4.673) 4.673 6.152 ( -0.000 -0.000 -12.819) 12.819 6.751 ( 0.000 0.000 3.284) 3.284 6.751 ( 0.000 0.000 3.284) 3.284 8.555 ( 0.000 0.000 7.579) 7.579 9.156 ( -0.000 -0.000 -2.534) 2.534 ======================= 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| 0.840 ( 8.920 5.150 15.644) 18.730 0.925 ( 9.109 5.259 19.928) 22.533 1.454 ( 18.483 10.671 18.702) 28.377 3.635 ( 1.056 0.610 -1.404) 1.860 3.690 ( 6.385 3.686 -0.339) 7.380 5.607 ( -1.142 -0.659 -3.329) 3.581 5.723 ( 4.932 2.848 -4.224) 7.091 6.436 ( 21.280 12.286 -21.662) 32.757 6.721 ( -2.303 -1.330 3.172) 4.140 6.796 ( 0.928 0.536 0.523) 1.192 8.528 ( -4.446 -2.567 7.470) 9.064 9.111 ( -3.955 -2.283 -4.046) 6.101 ======================= 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| 1.153 ( 13.926 8.040 9.153) 18.503 1.197 ( 9.538 5.507 14.928) 18.551 1.983 ( 23.088 13.330 1.928) 26.729 3.664 ( 1.843 1.064 -1.309) 2.498 3.921 ( 13.026 7.521 3.777) 15.508 5.552 ( -2.771 -1.600 -1.936) 3.739 5.846 ( 6.930 4.001 -3.662) 8.801 6.671 ( -2.786 -1.608 2.895) 4.328 6.770 ( -2.297 -1.326 1.147) 2.889 6.851 ( 19.272 11.127 -17.389) 28.241 8.413 ( -7.344 -4.240 6.853) 10.903 8.934 ( -9.720 -5.612 -6.464) 12.953 ======================= 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| 1.463 ( 10.575 6.105 5.682) 13.468 1.512 ( 15.022 8.673 4.430) 17.902 2.495 ( 21.835 12.607 -4.411) 25.596 3.711 ( 2.538 1.465 -1.070) 3.120 4.278 ( 15.577 8.993 6.475) 19.117 5.474 ( -3.667 -2.117 -0.029) 4.234 6.009 ( 8.066 4.657 -2.655) 9.684 6.621 ( -2.121 -1.225 2.199) 3.291 6.694 ( -3.609 -2.083 0.631) 4.214 7.199 ( 13.710 7.916 -10.177) 18.820 8.263 ( -7.273 -4.199 7.424) 11.210 8.645 ( -12.155 -7.018 -9.702) 17.062 ======================= 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| 1.714 ( 10.390 5.999 -0.932) 12.033 1.855 ( 13.747 7.937 1.507) 15.945 2.952 ( 19.311 11.149 -4.597) 22.767 3.771 ( 2.884 1.665 -0.739) 3.411 4.630 ( 12.543 7.242 5.400) 15.457 5.385 ( -4.362 -2.518 2.222) 5.505 6.186 ( 7.438 4.294 -0.504) 8.603 6.599 ( 0.084 0.049 0.446) 0.457 6.633 ( -1.620 -0.935 1.130) 2.186 7.359 ( 2.646 1.528 -8.612) 9.138 8.091 ( -12.167 -7.025 5.338) 15.029 8.428 ( -0.673 -0.388 -7.349) 7.390 ======================= 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| 1.924 ( 8.475 4.893 -3.634) 10.439 2.143 ( 10.995 6.348 0.083) 12.697 3.339 ( 15.489 8.943 -4.634) 18.476 3.833 ( 2.626 1.516 -0.398) 3.058 4.860 ( 5.764 3.328 2.298) 7.041 5.294 ( -4.115 -2.376 4.924) 6.843 6.325 ( 3.877 2.238 3.015) 5.397 6.639 ( 2.007 1.159 0.559) 2.384 6.640 ( 3.922 2.265 -2.659) 5.252 7.305 ( -3.427 -1.979 -8.179) 9.086 7.779 ( -13.838 -7.990 1.560) 16.055 8.521 ( 7.106 4.103 -1.312) 8.309 ======================= 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| 2.075 ( 5.862 3.385 -3.850) 7.787 2.354 ( 7.413 4.280 -0.293) 8.564 3.612 ( 9.790 5.652 -7.827) 13.749 3.883 ( 1.742 1.005 -0.094) 2.013 4.883 ( -3.233 -1.867 -2.338) 4.405 5.275 ( 0.388 0.224 10.542) 10.552 6.382 ( 0.307 0.177 4.657) 4.670 6.729 ( 5.827 3.364 -0.582) 6.754 6.745 ( 5.569 3.216 -4.012) 7.580 7.175 ( -5.808 -3.353 -8.217) 10.607 7.533 ( -7.636 -4.409 5.177) 10.225 8.669 ( 5.511 3.182 -1.254) 6.486 ======================= 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| 2.173 ( 3.905 2.254 -3.006) 5.419 2.477 ( 3.327 1.921 -0.136) 3.845 3.723 ( 3.025 1.746 -12.594) 13.069 3.909 ( 0.418 0.241 0.077) 0.489 4.779 ( -3.496 -2.018 -2.590) 4.796 5.334 ( 0.052 0.030 13.211) 13.211 6.380 ( -1.794 -1.036 4.161) 4.649 6.843 ( 3.663 2.115 -3.436) 5.450 6.894 ( 7.932 4.579 -3.188) 9.698 6.985 ( -7.290 -4.209 -4.562) 9.574 7.472 ( -0.321 -0.185 7.294) 7.303 8.752 ( 2.333 1.347 -2.275) 3.526 ======================= 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| 2.239 ( 2.508 1.448 -1.741) 3.379 2.503 ( -1.204 -0.695 0.206) 1.406 3.688 ( -1.520 -0.878 -13.210) 13.326 3.902 ( -1.028 -0.594 -0.023) 1.188 4.737 ( 0.520 0.300 -2.272) 2.350 5.328 ( -4.817 -2.781 12.229) 13.435 6.329 ( -3.664 -2.115 2.922) 5.141 6.760 ( -8.068 -4.658 -5.483) 10.810 6.883 ( 0.695 0.401 -2.331) 2.466 7.128 ( 10.019 5.784 -0.878) 11.602 7.531 ( 2.967 1.713 6.737) 7.558 8.775 ( 0.744 0.430 -1.912) 2.097 ======================= 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| 2.261 ( -0.824 -0.476 -0.466) 1.060 2.420 ( -6.217 -3.589 0.609) 7.205 3.591 ( -3.449 -1.991 -8.958) 9.803 3.864 ( -2.145 -1.238 -0.385) 2.506 4.777 ( 3.464 2.000 -3.372) 5.231 5.183 ( -10.958 -6.327 9.293) 15.699 6.233 ( -5.238 -3.024 1.211) 6.168 6.580 ( -5.850 -3.378 -3.364) 7.547 6.864 ( -1.662 -0.960 -0.976) 2.153 7.328 ( 7.374 4.257 -3.826) 9.335 7.641 ( 4.809 2.777 5.050) 7.506 8.798 ( 1.958 1.130 0.549) 2.326 ======================= 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| 0.969 ( 0.000 14.597 16.982) 22.393 0.970 ( 0.000 12.038 14.413) 18.780 1.516 ( 0.000 17.853 20.463) 27.157 3.617 ( -0.000 0.560 -1.501) 1.602 3.695 ( 0.000 7.302 -0.769) 7.343 5.597 ( -0.000 0.555 -4.306) 4.341 5.619 ( -0.000 -3.626 -2.172) 4.227 6.395 ( -0.000 25.002 -20.549) 32.362 6.753 ( 0.000 -1.122 1.265) 1.691 6.787 ( 0.000 0.101 2.917) 2.918 8.551 ( 0.000 -5.668 7.616) 9.493 9.125 ( -0.000 -1.112 -4.705) 4.835 ======================= 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| 1.165 ( 3.980 15.781 9.998) 19.101 1.228 ( 4.248 11.653 16.543) 20.676 1.866 ( 10.950 21.360 5.487) 24.622 3.647 ( 2.097 1.688 -1.373) 3.022 3.833 ( 6.847 9.707 2.077) 12.059 5.548 ( -1.208 -3.489 -2.283) 4.341 5.705 ( 9.266 0.844 -3.303) 9.873 6.664 ( 9.810 17.757 -14.797) 25.110 6.718 ( -1.079 0.001 -0.760) 1.320 6.789 ( -0.866 -1.004 1.701) 2.157 8.473 ( -3.767 -7.870 7.031) 11.205 9.025 ( -7.264 -3.117 -6.314) 10.116 ======================= 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| 1.450 ( 4.249 10.560 9.560) 14.865 1.462 ( 7.956 16.007 6.794) 19.123 2.307 ( 15.797 19.579 -3.959) 25.467 3.700 ( 1.647 3.416 -1.321) 4.016 4.131 ( 13.782 10.006 5.364) 17.856 5.479 ( -1.523 -4.563 -0.826) 4.881 5.886 ( 9.925 3.831 -3.071) 11.073 6.653 ( -2.393 -2.635 2.147) 4.156 6.738 ( -2.837 -0.929 0.194) 2.991 7.016 ( 13.587 12.580 -10.608) 21.340 8.334 ( -5.124 -8.225 6.912) 11.903 8.781 ( -12.984 -4.678 -8.402) 16.157 ======================= 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| 1.653 ( 5.666 9.511 2.640) 11.381 1.787 ( 9.061 15.491 3.259) 18.240 2.755 ( 16.955 16.402 -4.757) 24.065 3.763 ( 1.577 4.532 -1.110) 4.925 4.489 ( 14.144 7.962 5.039) 16.995 5.401 ( -1.895 -5.373 1.050) 5.794 6.092 ( 9.056 6.073 -2.158) 11.115 6.599 ( -1.274 -2.698 1.652) 3.410 6.688 ( -3.027 1.481 0.870) 3.480 7.263 ( 7.684 4.165 -8.617) 12.274 8.197 ( -5.632 -8.165 7.867) 12.661 8.483 ( -10.694 -2.020 -9.414) 14.389 ======================= 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| 1.847 ( 6.371 7.840 -1.463) 10.207 2.088 ( 7.700 14.134 1.473) 16.163 3.166 ( 15.064 12.788 -3.689) 20.102 3.836 ( 1.363 5.513 -0.902) 5.750 4.773 ( 9.571 4.268 2.790) 10.845 5.314 ( -2.085 -6.152 2.689) 7.031 6.291 ( 6.535 6.826 0.003) 9.450 6.578 ( 1.326 -1.585 0.129) 2.070 6.680 ( -1.328 4.238 0.475) 4.467 7.295 ( -0.672 -1.769 -8.294) 8.507 7.945 ( -13.761 -8.695 1.722) 16.368 8.438 ( 4.873 2.618 -1.297) 5.682 ======================= 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| 2.009 ( 5.344 5.690 -2.781) 8.287 2.334 ( 4.913 12.382 0.682) 13.339 3.477 ( 10.259 7.665 -4.710) 13.645 3.911 ( 0.451 7.052 -1.133) 7.157 4.890 ( 0.508 -0.689 -1.011) 1.324 5.260 ( 1.902 -4.750 6.698) 8.429 6.429 ( 0.835 6.068 3.381) 6.996 6.623 ( 5.300 0.232 -2.529) 5.877 6.735 ( 1.900 5.998 -0.737) 6.335 7.200 ( -3.839 -2.916 -7.794) 9.165 7.658 ( -10.774 -5.558 3.096) 12.513 8.576 ( 7.207 1.411 -0.037) 7.344 ======================= 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| 2.124 ( 3.766 3.761 -2.839) 6.032 2.502 ( 1.212 10.416 0.542) 10.500 3.626 ( 4.293 1.477 -7.551) 8.811 3.974 ( -1.717 8.256 -2.458) 8.783 4.809 ( -4.037 -3.142 -3.040) 5.951 5.325 ( 4.543 -2.770 11.277) 12.469 6.466 ( -3.635 4.566 3.968) 7.057 6.737 ( 7.113 1.716 -3.299) 8.027 6.851 ( 4.510 6.538 -1.155) 8.026 7.051 ( -6.903 -3.483 -6.707) 10.235 7.517 ( -3.356 -1.608 6.138) 7.178 8.682 ( 4.933 -1.019 -1.454) 5.243 ======================= 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| 2.199 ( 2.738 2.124 -2.429) 4.232 2.582 ( -3.118 8.252 0.717) 8.850 3.624 ( 0.346 -2.524 -9.624) 9.955 3.990 ( -4.185 7.183 -3.037) 8.851 4.731 ( -1.053 -1.014 -2.111) 2.567 5.382 ( 0.207 -3.707 11.888) 12.454 6.431 ( -5.881 2.630 3.092) 7.146 6.829 ( -1.088 0.602 -4.158) 4.340 6.871 ( -4.104 -0.725 -4.317) 6.000 7.025 ( 8.217 5.666 -0.132) 9.982 7.524 ( 1.538 0.444 6.316) 6.516 8.721 ( 3.005 -2.878 -2.290) 4.749 ======================= 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| 2.240 ( 1.330 -0.179 -1.845) 2.281 2.559 ( -7.987 5.488 0.990) 9.741 3.554 ( -0.690 -3.782 -8.318) 9.163 3.959 ( -5.504 5.594 -2.236) 8.160 4.735 ( 2.044 1.196 -2.306) 3.305 5.316 ( -7.000 -5.883 9.903) 13.479 6.341 ( -7.274 0.681 2.124) 7.608 6.671 ( -8.510 -0.742 -3.357) 9.178 6.881 ( -0.557 1.333 -1.589) 2.147 7.225 ( 8.415 4.860 -3.096) 10.199 7.601 ( 3.969 1.039 5.259) 6.670 8.736 ( 3.670 -3.229 -1.123) 5.016 ======================= 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| 1.319 ( 0.000 15.014 7.709) 16.877 1.377 ( 0.000 14.803 13.057) 19.738 2.040 ( 0.000 25.986 2.327) 26.090 3.628 ( -0.000 1.533 -1.231) 1.966 3.902 ( 0.000 12.917 2.658) 13.188 5.513 ( -0.000 -5.705 -0.642) 5.741 5.626 ( -0.000 4.695 -2.005) 5.106 6.705 ( 0.000 -3.841 1.316) 4.060 6.731 ( -0.000 20.017 -14.408) 24.663 6.795 ( 0.000 -0.787 1.588) 1.773 8.435 ( 0.000 -10.563 6.205) 12.250 9.039 ( -0.000 -3.247 -7.605) 8.269 ======================= 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| 1.534 ( 4.243 15.667 4.412) 16.820 1.566 ( 1.565 12.858 9.670) 16.164 2.340 ( 5.221 25.316 -4.594) 26.254 3.682 ( 3.618 2.597 -1.143) 4.598 4.095 ( 5.354 14.131 5.035) 15.928 5.444 ( -0.839 -5.958 0.316) 6.025 5.759 ( 8.288 6.030 -0.900) 10.289 6.654 ( -1.196 -4.519 1.735) 4.986 6.773 ( -1.583 0.015 -0.059) 1.584 6.940 ( 7.019 14.426 -9.167) 18.477 8.320 ( -2.305 -11.396 5.538) 12.878 8.902 ( -8.299 -3.824 -8.980) 12.811 ======================= 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| 1.707 ( 1.645 10.544 2.482) 10.957 1.834 ( 7.162 17.138 4.330) 19.073 2.689 ( 10.172 21.496 -5.531) 24.416 3.773 ( 3.075 4.554 -1.220) 5.629 4.380 ( 9.899 11.632 4.609) 15.954 5.368 ( -1.135 -6.673 1.730) 6.987 5.988 ( 10.013 7.812 -0.519) 12.710 6.595 ( -1.340 -3.953 2.014) 4.634 6.749 ( -1.701 1.518 -0.189) 2.288 7.153 ( 7.393 6.542 -7.012) 12.109 8.189 ( -2.163 -10.583 6.283) 12.497 8.645 ( -12.793 -2.383 -9.775) 16.275 ======================= 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| 1.849 ( 3.259 9.042 -0.486) 9.623 2.140 ( 6.605 17.396 2.726) 18.806 3.062 ( 12.296 16.612 -3.353) 20.938 3.870 ( 2.200 6.805 -1.086) 7.234 4.659 ( 9.722 6.878 1.918) 12.062 5.282 ( -1.626 -7.651 2.606) 8.244 6.236 ( 8.761 9.142 -0.055) 12.663 6.552 ( -0.250 -2.644 1.298) 2.956 6.751 ( -1.187 4.216 -0.163) 4.383 7.241 ( 2.173 -0.741 -7.078) 7.441 8.046 ( -6.652 -10.557 4.508) 13.267 8.440 ( -4.661 2.029 -5.461) 7.461 ======================= 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| 1.989 ( 3.790 7.173 -1.454) 8.242 2.413 ( 4.262 16.745 1.916) 17.385 3.386 ( 9.681 10.706 -2.363) 14.626 3.980 ( 1.450 9.786 -1.373) 9.988 4.843 ( 5.215 2.270 -0.236) 5.693 5.186 ( -0.131 -8.595 3.333) 9.219 6.458 ( 5.724 9.260 1.459) 10.984 6.549 ( 2.164 -0.949 -0.957) 2.550 6.789 ( -0.522 6.254 0.051) 6.276 7.195 ( -1.651 -2.679 -6.954) 7.632 7.796 ( -10.948 -7.238 1.710) 13.236 8.474 ( 5.038 1.032 0.084) 5.144 ======================= 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| 2.104 ( 2.941 5.198 -1.650) 6.195 2.625 ( 0.903 15.523 1.780) 15.651 3.567 ( 3.866 4.100 -3.498) 6.632 4.092 ( -0.920 12.181 -3.176) 12.621 4.837 ( -3.889 -2.595 -3.032) 5.572 5.200 ( 7.983 -6.238 7.693) 12.721 6.559 ( 0.178 2.011 1.080) 2.290 6.656 ( 5.239 7.333 -1.286) 9.104 6.855 ( 1.411 5.375 0.678) 5.598 7.104 ( -4.240 -0.814 -6.735) 8.000 7.595 ( -6.533 -3.380 3.716) 8.241 8.568 ( 5.597 -2.149 -0.083) 5.996 ======================= 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| 2.181 ( 1.770 3.407 -1.723) 4.209 2.758 ( -3.276 13.892 2.054) 14.420 3.588 ( -0.925 -0.729 -5.468) 5.594 4.145 ( -4.834 10.979 -4.987) 12.991 4.738 ( -2.327 -1.986 -2.041) 3.678 5.313 ( 6.824 -5.511 9.405) 12.860 6.552 ( -3.472 1.411 0.418) 3.771 6.804 ( 4.126 6.448 -1.030) 7.724 6.940 ( 1.621 -0.991 1.126) 2.209 7.001 ( -4.423 6.856 -5.594) 9.893 7.533 ( -0.622 -0.677 4.769) 4.857 8.612 ( 3.997 -4.916 -1.357) 6.480 ======================= 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| 2.221 ( 0.702 1.495 -1.797) 2.441 2.792 ( -8.404 11.059 2.267) 14.073 3.518 ( -1.897 -2.685 -5.690) 6.571 4.123 ( -6.608 8.385 -4.078) 11.429 4.714 ( 0.757 0.526 -1.523) 1.780 5.350 ( 0.099 -6.273 8.100) 10.246 6.474 ( -6.358 0.090 1.142) 6.460 6.816 ( -7.268 -0.316 -3.306) 7.991 6.915 ( -0.893 7.142 0.102) 7.198 7.123 ( 7.123 5.158 -2.839) 9.241 7.567 ( 2.464 0.109 4.409) 5.052 8.615 ( 3.998 -6.202 -1.383) 7.508 ======================= 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| 1.656 ( 0.000 15.348 2.412) 15.536 1.702 ( 0.000 11.448 4.847) 12.432 2.540 ( -0.000 25.347 -6.910) 26.272 3.663 ( 0.000 2.624 -0.538) 2.679 4.235 ( 0.000 17.148 6.268) 18.258 5.393 ( 0.000 -6.759 2.026) 7.056 5.757 ( 0.000 8.682 1.139) 8.756 6.624 ( 0.000 -4.745 2.424) 5.328 6.780 ( -0.000 -1.050 -0.343) 1.105 6.993 ( -0.000 12.817 -7.303) 14.752 8.234 ( 0.000 -12.531 4.079) 13.178 8.905 ( -0.000 -3.809 -10.096) 10.791 ======================= 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| 1.799 ( -0.002 9.844 -0.350) 9.850 1.886 ( 6.464 14.960 1.800) 16.396 2.781 ( 3.290 22.392 -6.466) 23.538 3.734 ( 4.457 3.299 -0.593) 5.576 4.444 ( 1.793 16.560 5.627) 17.582 5.326 ( -0.826 -6.976 3.455) 7.829 5.924 ( 7.153 9.908 2.085) 12.397 6.582 ( -0.820 -3.894 2.856) 4.898 6.768 ( 0.037 -0.041 -1.327) 1.328 7.107 ( 3.296 6.790 -5.132) 9.127 8.117 ( -0.672 -11.761 3.733) 12.357 8.767 ( -7.504 -2.616 -10.450) 13.128 ======================= 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| 1.893 ( 1.476 8.103 -1.967) 8.468 2.183 ( 8.934 15.786 1.301) 18.185 3.056 ( 7.228 17.904 -3.361) 19.598 3.859 ( 5.474 4.783 -0.801) 7.313 4.643 ( 3.004 11.764 2.253) 12.349 5.249 ( -1.823 -6.781 4.022) 8.092 6.180 ( 9.161 10.565 2.014) 14.127 6.542 ( -0.936 -2.550 2.230) 3.515 6.783 ( 1.142 2.453 -1.591) 3.139 7.176 ( 2.236 0.087 -4.700) 5.205 8.008 ( -0.950 -10.969 3.893) 11.678 8.567 ( -9.264 0.753 -8.281) 12.449 ======================= 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| 2.000 ( 2.827 6.931 -1.566) 7.647 2.490 ( 7.388 16.046 1.153) 17.703 3.340 ( 8.247 12.097 -0.819) 14.664 4.013 ( 5.478 8.079 -0.613) 9.781 4.791 ( 3.967 5.479 -0.147) 6.766 5.146 ( -3.685 -7.110 2.538) 8.400 6.440 ( 7.868 10.368 1.508) 13.103 6.520 ( 0.093 -1.130 0.987) 1.503 6.842 ( 1.467 5.126 -1.121) 5.448 7.160 ( 0.073 -2.739 -4.890) 5.605 7.863 ( -5.252 -9.614 1.722) 11.090 8.461 ( -2.447 2.310 -2.576) 4.238 ======================= 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| 2.107 ( 2.668 5.484 -0.953) 6.172 2.752 ( 4.086 15.729 1.438) 16.315 3.539 ( 4.417 5.556 -0.682) 7.131 4.197 ( 3.524 12.534 -1.355) 13.090 4.874 ( -0.941 2.035 -2.366) 3.259 5.027 ( 2.131 -9.609 3.583) 10.475 6.531 ( 1.787 0.118 -0.947) 2.026 6.661 ( 5.649 9.255 1.799) 10.991 6.901 ( -0.462 3.597 -0.104) 3.628 7.128 ( -0.101 1.401 -4.743) 4.947 7.680 ( -6.644 -5.635 1.363) 8.818 8.475 ( 2.430 -1.039 0.242) 2.654 ======================= 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| 2.187 ( 1.519 3.917 -0.775) 4.272 2.947 ( -0.020 14.884 2.239) 15.051 3.592 ( -0.849 0.266 -2.176) 2.351 4.331 ( -3.268 13.980 -4.182) 14.954 4.768 ( -5.197 -2.076 -2.460) 6.113 5.111 ( 11.429 -7.684 6.341) 15.162 6.566 ( 1.571 0.680 -1.311) 2.156 6.823 ( 2.428 7.279 -0.528) 7.692 6.899 ( 0.887 -1.829 1.689) 2.643 7.150 ( -2.974 9.449 -3.617) 10.546 7.563 ( -2.828 -2.222 2.573) 4.422 8.495 ( 2.946 -4.987 -0.129) 5.794 ======================= 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| 2.230 ( 0.193 2.339 -0.941) 2.529 3.051 ( -5.610 12.958 3.096) 14.455 3.524 ( -3.313 -2.709 -3.291) 5.399 4.331 ( -8.351 10.887 -4.492) 14.437 4.708 ( -0.232 -0.041 -0.941) 0.970 5.233 ( 8.060 -7.621 5.328) 12.306 6.560 ( -3.083 0.404 0.285) 3.123 6.842 ( -0.426 -0.806 -3.771) 3.879 6.972 ( 3.836 2.127 2.241) 4.926 7.178 ( -4.758 12.457 -2.363) 13.543 7.549 ( 0.942 -0.452 2.752) 2.943 8.481 ( 3.096 -7.193 -0.527) 7.848 ======================= 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| 1.892 ( -0.000 7.563 -3.587) 8.370 1.953 ( 0.000 13.903 -0.822) 13.927 2.943 ( -0.000 19.532 -5.745) 20.360 3.725 ( 0.000 3.589 0.314) 3.603 4.626 ( 0.000 16.524 5.255) 17.339 5.283 ( 0.000 -5.931 5.175) 7.872 5.975 ( 0.000 11.238 3.802) 11.863 6.567 ( 0.000 -2.702 3.600) 4.501 6.751 ( -0.000 -0.946 -2.421) 2.599 7.123 ( -0.000 4.000 -3.643) 5.410 8.017 ( -0.000 -11.003 1.969) 11.178 8.771 ( -0.000 -2.136 -10.526) 10.741 ======================= 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| 1.940 ( 0.236 6.422 -4.374) 7.774 2.165 ( 8.595 12.942 -1.387) 15.598 3.128 ( 3.028 15.589 -2.704) 16.109 3.804 ( 4.519 3.811 0.198) 5.915 4.766 ( -1.286 10.330 2.659) 10.744 5.248 ( -1.661 -1.969 5.483) 6.058 6.162 ( 6.270 11.405 4.060) 13.633 6.550 ( -1.115 -1.189 3.169) 3.563 6.754 ( 2.397 0.186 -2.810) 3.698 7.139 ( 0.587 -0.364 -2.866) 2.947 7.918 ( -0.091 -9.785 1.204) 9.859 8.673 ( -5.452 -0.116 -8.669) 10.242 ======================= 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| 2.011 ( 2.381 5.729 -2.651) 6.747 2.468 ( 11.474 12.676 -1.210) 17.141 3.334 ( 5.674 10.754 0.519) 12.170 3.952 ( 7.755 4.653 0.219) 9.046 4.814 ( -0.451 2.234 1.300) 2.623 5.206 ( -5.573 2.036 2.212) 6.332 6.413 ( 8.045 10.626 3.146) 13.694 6.530 ( -1.333 -0.008 1.667) 2.134 6.823 ( 4.579 2.820 -2.153) 5.793 7.115 ( 0.019 -3.220 -2.486) 4.068 7.819 ( -1.159 -9.092 0.227) 9.169 8.556 ( -5.996 2.086 -4.495) 7.779 ======================= 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| 2.107 ( 2.996 4.852 -0.978) 5.786 2.777 ( 9.842 12.546 -0.870) 15.969 3.514 ( 4.869 5.063 1.661) 7.218 4.170 ( 10.515 7.099 1.096) 12.734 4.827 ( 2.562 -3.319 1.995) 4.643 5.092 ( -10.499 2.783 -2.494) 11.145 6.522 ( -0.281 1.234 -0.119) 1.271 6.650 ( 6.717 8.592 2.919) 11.289 6.920 ( 1.876 2.810 -1.855) 3.855 7.095 ( 2.966 -0.533 -1.742) 3.481 7.700 ( -2.986 -7.048 -0.500) 7.671 8.486 ( -3.366 1.130 -0.743) 3.627 ======================= 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| 2.193 ( 2.131 3.596 -0.276) 4.189 3.037 ( 6.143 12.116 0.051) 13.585 3.593 ( 0.766 -0.145 0.500) 0.926 4.430 ( 7.618 10.461 0.319) 12.945 4.862 ( 6.188 -8.975 3.547) 11.464 4.907 ( -10.664 3.620 -4.135) 11.997 6.546 ( 1.323 2.071 -0.716) 2.560 6.826 ( 4.629 4.963 3.141) 7.478 6.899 ( -2.440 -1.281 -2.387) 3.646 7.216 ( 5.078 7.864 -1.104) 9.426 7.590 ( -2.898 -3.808 0.125) 4.787 8.439 ( -1.498 -2.653 0.236) 3.056 ======================= 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| 2.245 ( 0.675 2.219 -0.249) 2.333 3.223 ( 1.378 11.281 1.579) 11.474 3.543 ( -3.420 -4.210 -1.135) 5.542 4.579 ( -5.057 13.121 -2.733) 14.325 4.730 ( -5.199 -0.473 -1.099) 5.335 4.979 ( 12.188 -8.817 3.327) 15.406 6.594 ( 0.871 2.749 0.127) 2.887 6.829 ( -1.566 -2.693 -2.336) 3.894 6.934 ( 2.822 2.045 1.599) 3.835 7.355 ( -0.563 10.941 -0.981) 11.000 7.539 ( -0.100 -1.446 1.061) 1.796 8.382 ( 0.088 -5.864 0.042) 5.864 ======================= 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| 1.977 ( -0.000 4.789 -5.610) 7.377 2.193 ( 0.000 11.165 -1.815) 11.311 3.234 ( 0.000 11.809 -0.596) 11.824 3.804 ( 0.000 3.762 0.719) 3.830 4.845 ( 0.000 0.787 2.543) 2.662 5.309 ( 0.000 6.771 4.387) 8.068 6.234 ( 0.000 11.260 4.955) 12.302 6.574 ( 0.000 0.965 3.887) 4.005 6.711 ( -0.000 -0.796 -3.870) 3.951 7.117 ( -0.000 -2.076 -1.905) 2.818 7.831 ( -0.000 -8.079 -0.867) 8.125 8.691 ( -0.000 0.207 -7.183) 7.186 ======================= 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| 2.017 ( 1.560 4.464 -3.275) 5.752 2.378 ( 9.517 9.664 -1.966) 13.705 3.358 ( 2.798 7.688 2.251) 8.485 3.882 ( 4.611 3.455 0.685) 5.803 4.823 ( -0.779 -4.102 2.788) 5.020 5.367 ( -4.532 9.363 0.274) 10.406 6.407 ( 5.502 9.726 4.082) 11.897 6.577 ( -2.358 1.915 2.117) 3.702 6.745 ( 5.100 1.047 -2.149) 5.633 7.079 ( -0.431 -3.691 -1.269) 3.927 7.749 ( -0.497 -6.769 -2.221) 7.141 8.645 ( -3.627 1.333 -4.000) 5.562 ======================= 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| 2.095 ( 3.047 4.082 -0.828) 5.161 2.668 ( 13.482 8.685 -2.257) 16.195 3.486 ( 4.056 3.214 3.987) 6.533 4.040 ( 9.665 3.410 1.747) 10.397 4.778 ( -0.124 -4.714 2.611) 5.391 5.323 ( -9.798 7.694 -3.928) 13.062 6.556 ( -1.048 1.244 0.992) 1.905 6.626 ( 6.278 8.639 2.349) 10.935 6.872 ( 6.541 3.546 -1.014) 7.509 7.030 ( 0.567 -4.276 -0.146) 4.316 7.664 ( -1.307 -5.320 -2.783) 6.144 8.576 ( -5.003 1.534 -0.871) 5.305 ======================= 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| 2.182 ( 2.807 3.050 0.183) 4.149 2.970 ( 12.432 7.939 -2.378) 14.941 3.565 ( 2.089 -1.307 3.064) 3.932 4.291 ( 14.151 3.077 3.566) 14.914 4.746 ( 0.811 -4.479 1.956) 4.955 5.171 ( -13.329 6.265 -5.469) 15.711 6.559 ( -0.162 1.888 0.140) 1.900 6.801 ( 4.328 3.784 3.397) 6.677 6.925 ( -1.634 1.136 -3.010) 3.609 7.124 ( 10.836 2.353 1.395) 11.175 7.587 ( -1.551 -3.104 -2.228) 4.123 8.492 ( -5.560 -0.324 0.334) 5.579 ======================= 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| 2.033 ( -0.000 3.943 -1.856) 4.358 2.370 ( 0.000 7.677 -1.219) 7.773 3.405 ( 0.000 4.461 4.593) 6.403 3.874 ( 0.000 2.680 0.464) 2.720 4.789 ( 0.000 -5.470 3.247) 6.362 5.500 ( -0.000 8.952 -3.065) 9.463 6.451 ( 0.000 6.500 2.129) 6.840 6.657 ( 0.000 4.372 4.337) 6.158 6.683 ( -0.000 1.099 -1.855) 2.156 7.042 ( -0.000 -3.973 -0.959) 4.087 7.687 ( -0.000 -4.541 -3.989) 6.044 8.678 ( -0.000 1.266 -1.852) 2.243 ======================= 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| 2.088 ( 1.937 3.868 0.415) 4.345 2.522 ( 9.705 5.864 -1.292) 11.412 3.474 ( 1.990 1.502 6.547) 7.006 3.942 ( 5.221 1.925 0.926) 5.641 4.747 ( -0.279 -4.249 2.847) 5.122 5.510 ( -5.449 5.799 -6.345) 10.177 6.531 ( 3.860 0.382 -1.590) 4.192 6.671 ( -0.824 6.424 2.912) 7.101 6.795 ( 5.822 3.208 3.515) 7.519 6.994 ( -0.795 -3.307 -1.141) 3.588 7.630 ( -0.810 -2.643 -4.665) 5.423 8.662 ( -3.083 1.345 0.420) 3.390 ======================= 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| 2.166 ( 2.512 2.927 1.213) 4.043 2.781 ( 14.377 4.160 -2.318) 15.145 3.529 ( 1.611 -1.707 5.847) 6.300 4.103 ( 10.766 1.010 3.344) 11.318 4.718 ( -0.166 -2.398 1.911) 3.071 5.400 ( -9.340 3.399 -7.505) 12.454 6.558 ( 1.392 -1.863 -0.584) 2.398 6.789 ( 3.587 6.218 2.058) 7.468 6.940 ( 6.394 -5.110 2.486) 8.555 6.965 ( 1.994 5.949 -0.217) 6.278 7.579 ( -1.196 -0.844 -4.161) 4.411 8.599 ( -5.793 0.520 1.258) 5.951 ======================= 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| 2.116 ( 0.000 4.210 2.201) 4.751 2.479 ( 0.000 3.618 -0.252) 3.627 3.495 ( 0.000 0.491 9.129) 9.142 3.910 ( 0.000 0.682 0.002) 0.682 4.722 ( 0.000 -2.883 2.666) 3.927 5.568 ( -0.000 1.656 -9.015) 9.166 6.470 ( -0.000 -2.257 -4.339) 4.891 6.765 ( 0.000 4.618 3.862) 6.020 6.766 ( 0.000 0.265 6.732) 6.737 6.984 ( -0.000 1.599 -2.148) 2.678 7.605 ( -0.000 -0.399 -5.519) 5.533 8.707 ( 0.000 1.414 1.940) 2.401 ======================= 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| 2.173 ( 0.853 3.467 2.573) 4.401 2.589 ( 9.490 1.424 -0.711) 9.622 3.527 ( -0.135 -1.075 9.069) 9.133 3.968 ( 6.381 -0.122 1.488) 6.553 4.709 ( -0.090 -1.088 2.097) 2.365 5.494 ( -4.158 -1.783 -10.043) 11.015 6.464 ( 3.996 -4.155 -3.499) 6.744 6.785 ( 3.602 -2.997 4.294) 6.356 6.829 ( 1.038 0.868 4.030) 4.251 7.027 ( -0.048 8.036 -0.347) 8.044 7.584 ( -0.871 1.260 -5.347) 5.562 8.697 ( -3.679 1.154 2.335) 4.508 ======================= 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| 2.216 ( 0.000 3.520 2.798) 4.497 2.503 ( -0.000 -1.264 0.052) 1.265 3.562 ( 0.000 -0.878 11.484) 11.518 3.902 ( -0.000 -1.305 -0.070) 1.307 4.714 ( 0.000 0.471 2.188) 2.238 5.449 ( -0.000 -6.398 -11.290) 12.977 6.364 ( -0.000 -5.056 -3.884) 6.376 6.707 ( 0.000 -7.871 4.725) 9.181 6.855 ( 0.000 1.529 3.175) 3.524 7.119 ( 0.000 9.943 1.021) 9.995 7.594 ( -0.000 2.903 -5.616) 6.322 8.753 ( 0.000 1.626 2.351) 2.859 ======================= 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| 0.879 ( 0.000 0.000 17.087) 17.087 0.879 ( 0.000 0.000 17.087) 17.087 1.446 ( 0.000 0.000 29.408) 29.408 3.610 ( -0.000 -0.000 -1.617) 1.617 3.610 ( -0.000 -0.000 -1.617) 1.617 5.605 ( -0.000 -0.000 -4.616) 4.616 5.605 ( -0.000 -0.000 -4.616) 4.616 6.016 ( -0.000 -0.000 -13.683) 13.683 6.784 ( 0.000 0.000 3.169) 3.169 6.784 ( 0.000 0.000 3.169) 3.169 8.636 ( 0.000 0.000 8.337) 8.337 9.125 ( -0.000 -0.000 -3.450) 3.450 ======================= 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| 0.992 ( 6.587 3.803 14.125) 16.043 1.117 ( 10.398 6.004 17.453) 21.184 1.633 ( 9.162 5.290 16.376) 19.496 3.620 ( 1.102 0.636 -1.656) 2.088 3.690 ( 7.803 4.505 0.290) 9.015 5.567 ( -0.600 -0.346 -4.221) 4.277 5.676 ( 5.087 2.937 -4.845) 7.615 6.239 ( 20.281 11.709 -17.129) 29.014 6.755 ( -2.330 -1.345 3.349) 4.296 6.809 ( -0.215 -0.124 1.621) 1.640 8.608 ( -4.746 -2.740 8.233) 9.890 9.066 ( -4.706 -2.717 -4.895) 7.313 ======================= 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| 1.246 ( 11.575 6.683 9.008) 16.118 1.364 ( 5.751 3.321 17.505) 18.723 1.985 ( 18.974 10.955 -1.548) 21.964 3.649 ( 1.955 1.129 -1.569) 2.749 3.962 ( 14.613 8.437 4.142) 17.374 5.525 ( -1.878 -1.084 -3.170) 3.841 5.802 ( 7.287 4.207 -4.910) 9.742 6.684 ( 19.269 11.125 -14.137) 26.361 6.704 ( -2.948 -1.702 3.453) 4.849 6.786 ( 0.055 0.032 0.875) 0.878 8.488 ( -7.611 -4.394 7.983) 11.872 8.867 ( -10.730 -6.195 -6.841) 14.153 ======================= 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| 1.536 ( 6.252 3.609 8.494) 11.147 1.560 ( 13.346 7.706 4.785) 16.137 2.448 ( 21.513 12.421 -4.581) 25.260 3.698 ( 2.709 1.564 -1.341) 3.404 4.339 ( 15.743 9.089 5.180) 18.902 5.466 ( -2.546 -1.470 -1.337) 3.230 5.972 ( 8.815 5.089 -4.542) 11.146 6.650 ( -2.593 -1.497 3.347) 4.491 6.698 ( -3.141 -1.814 0.131) 3.630 7.097 ( 14.703 8.489 -9.632) 19.520 8.347 ( -6.641 -3.834 9.075) 11.881 8.551 ( -13.380 -7.725 -8.740) 17.751 ======================= 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| 1.718 ( 7.928 4.577 1.789) 9.328 1.874 ( 12.752 7.362 2.122) 14.876 2.911 ( 19.502 11.260 -3.442) 22.781 3.762 ( 3.081 1.779 -1.025) 3.703 4.677 ( 11.840 6.836 3.680) 14.158 5.398 ( -3.254 -1.879 0.293) 3.769 6.166 ( 8.983 5.186 -3.265) 10.874 6.615 ( -1.140 -0.658 2.575) 2.892 6.641 ( -1.581 -0.913 0.387) 1.867 7.269 ( 2.971 1.716 -8.830) 9.474 8.124 ( -15.255 -8.807 0.491) 17.621 8.393 ( 2.588 1.494 1.173) 3.210 ======================= 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| 1.898 ( 7.443 4.297 -1.295) 8.692 2.147 ( 10.523 6.076 0.803) 12.178 3.295 ( 14.598 8.428 -3.984) 17.320 3.828 ( 2.826 1.632 -0.658) 3.329 4.877 ( 4.056 2.342 1.035) 4.796 5.334 ( -1.776 -1.026 2.819) 3.486 6.341 ( 6.136 3.543 -0.016) 7.085 6.625 ( 1.939 1.120 -0.081) 2.241 6.640 ( 1.672 0.966 -0.393) 1.971 7.224 ( -3.174 -1.832 -7.631) 8.466 7.794 ( -12.626 -7.290 1.363) 14.643 8.525 ( 6.581 3.799 2.152) 7.898 ======================= 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| 2.042 ( 5.619 3.244 -2.507) 6.956 2.354 ( 7.251 4.187 0.281) 8.378 3.533 ( 7.661 4.423 -7.567) 11.642 3.882 ( 1.910 1.103 -0.259) 2.221 4.856 ( -4.178 -2.412 -3.037) 5.700 5.374 ( 2.872 1.658 8.953) 9.547 6.427 ( 0.899 0.519 3.879) 4.015 6.706 ( 5.144 2.970 -3.495) 6.892 6.718 ( 5.436 3.139 -1.570) 6.471 7.099 ( -5.538 -3.198 -6.363) 9.022 7.587 ( -6.046 -3.491 5.478) 8.874 8.661 ( 4.560 2.633 -0.264) 5.272 ======================= 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| 2.142 ( 4.118 2.378 -2.911) 5.575 2.477 ( 3.327 1.921 0.061) 3.842 3.600 ( 1.537 0.887 -11.497) 11.633 3.909 ( 0.477 0.275 0.044) 0.552 4.751 ( -2.988 -1.725 -2.877) 4.493 5.462 ( 0.589 0.340 11.799) 11.818 6.424 ( -2.139 -1.235 4.591) 5.213 6.805 ( 4.048 2.337 -3.934) 6.110 6.838 ( 1.908 1.102 -7.040) 7.377 6.969 ( -0.604 -0.349 0.616) 0.931 7.543 ( -0.255 -0.147 6.697) 6.703 8.729 ( 1.921 1.109 -2.317) 3.208 ======================= 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| 1.103 ( 0.000 9.521 11.599) 15.007 1.135 ( 0.000 14.118 15.341) 20.848 1.705 ( 0.000 9.223 16.566) 18.960 3.602 ( -0.000 0.651 -1.445) 1.585 3.690 ( 0.000 8.427 -0.107) 8.428 5.560 ( -0.000 1.119 -2.941) 3.147 5.587 ( -0.000 -2.279 -3.994) 4.598 6.210 ( -0.000 24.131 -15.886) 28.890 6.773 ( 0.000 -2.179 2.338) 3.196 6.813 ( 0.000 -0.234 2.150) 2.163 8.631 ( 0.000 -6.230 8.119) 10.234 9.073 ( -0.000 -2.361 -5.572) 6.051 ======================= 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| 1.260 ( 3.284 13.078 8.562) 15.973 1.398 ( 5.094 9.427 16.624) 19.778 1.901 ( 6.124 15.780 1.248) 16.972 3.633 ( 2.000 1.849 -1.416) 3.070 3.859 ( 8.200 10.954 2.862) 13.979 5.520 ( -1.200 -2.124 -3.040) 3.898 5.673 ( 8.419 1.957 -2.984) 9.144 6.510 ( 11.788 21.733 -13.380) 28.112 6.736 ( -1.817 -2.889 2.539) 4.253 6.804 ( -1.050 -0.838 1.151) 1.769 8.549 ( -3.708 -8.680 7.753) 12.215 8.956 ( -7.427 -4.240 -7.193) 11.175 ======================= 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| 1.512 ( 6.823 12.970 5.110) 15.521 1.571 ( 1.769 7.884 11.760) 14.268 2.260 ( 15.334 18.731 -5.150) 24.749 3.687 ( 1.678 3.532 -1.353) 4.138 4.181 ( 14.199 10.240 4.336) 18.036 5.466 ( -1.162 -3.134 -1.583) 3.699 5.853 ( 9.280 5.165 -3.431) 11.161 6.678 ( -2.190 -3.348 2.747) 4.853 6.734 ( -1.556 0.405 -0.858) 1.822 6.921 ( 13.131 13.135 -7.951) 20.203 8.410 ( -4.456 -8.722 8.158) 12.747 8.695 ( -13.375 -5.691 -8.454) 16.816 ======================= 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| 1.687 ( 3.794 6.948 3.917) 8.832 1.822 ( 7.799 14.976 3.619) 17.269 2.713 ( 17.571 16.507 -3.495) 24.360 3.752 ( 1.679 4.615 -1.156) 5.045 4.531 ( 13.854 7.261 2.915) 15.911 5.405 ( -1.527 -4.131 -0.215) 4.409 6.063 ( 8.997 7.495 -3.393) 12.191 6.620 ( -1.527 -3.307 2.221) 4.266 6.696 ( -2.713 1.363 0.801) 3.140 7.178 ( 7.340 4.868 -7.944) 11.861 8.271 ( -9.235 -9.878 5.466) 14.586 8.407 ( -6.124 -1.016 -4.257) 7.528 ======================= 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| 1.843 ( 5.172 6.764 0.748) 8.548 2.106 ( 6.915 14.157 1.951) 15.876 3.134 ( 14.798 12.832 -2.651) 19.766 3.826 ( 1.483 5.449 -0.980) 5.731 4.794 ( 9.123 3.319 1.313) 9.796 5.331 ( -1.298 -5.057 0.516) 5.246 6.278 ( 7.594 8.298 -2.429) 11.507 6.585 ( 0.396 -2.352 0.956) 2.570 6.686 ( -1.626 3.876 0.916) 4.302 7.216 ( -0.610 -1.315 -7.199) 7.344 7.952 ( -13.955 -7.873 -0.236) 16.024 8.451 ( 5.900 1.505 3.597) 7.072 ======================= 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| 1.990 ( 4.597 5.445 -0.851) 7.176 2.344 ( 4.378 12.681 1.288) 13.477 3.430 ( 8.603 7.711 -4.509) 12.402 3.900 ( 0.534 6.341 -1.063) 6.451 4.874 ( -1.130 -1.837 -1.978) 2.926 5.319 ( 4.975 -3.079 4.871) 7.613 6.450 ( 2.833 7.309 0.679) 7.869 6.602 ( 4.045 -0.862 -1.435) 4.378 6.730 ( 0.898 6.147 -0.311) 6.220 7.129 ( -3.791 -2.814 -5.919) 7.571 7.690 ( -8.964 -4.871 3.268) 10.713 8.585 ( 6.238 0.590 1.646) 6.479 ======================= 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| 2.100 ( 3.300 3.921 -1.867) 5.455 2.510 ( 0.782 10.912 0.973) 10.983 3.547 ( 2.042 2.371 -7.734) 8.343 3.954 ( -1.378 6.490 -1.512) 6.805 4.777 ( -3.830 -2.798 -3.149) 5.693 5.430 ( 6.190 -2.452 9.308) 11.444 6.504 ( -3.096 3.766 3.418) 5.954 6.703 ( 6.709 2.149 -3.325) 7.790 6.830 ( 2.825 7.206 -2.974) 8.292 7.001 ( -4.950 -3.219 -2.831) 6.548 7.577 ( -2.481 -1.824 5.699) 6.478 8.669 ( 3.932 -1.363 -1.060) 4.295 ======================= 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| 1.385 ( 0.000 12.790 5.258) 13.828 1.513 ( 0.000 11.584 13.612) 17.874 2.039 ( 0.000 20.324 -2.800) 20.516 3.617 ( -0.000 1.735 -0.882) 1.947 3.936 ( 0.000 14.679 3.904) 15.189 5.499 ( -0.000 -4.010 -1.870) 4.425 5.616 ( 0.000 5.593 0.017) 5.593 6.603 ( -0.000 22.889 -10.647) 25.244 6.723 ( 0.000 -4.094 2.218) 4.656 6.805 ( 0.000 -1.332 0.496) 1.422 8.500 ( 0.000 -11.740 6.756) 13.545 8.956 ( -0.000 -4.387 -8.748) 9.787 ======================= 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| 1.571 ( 4.160 13.692 2.886) 14.598 1.662 ( 1.406 8.137 8.893) 12.135 2.282 ( 5.127 23.963 -6.480) 25.348 3.671 ( 3.363 2.770 -0.851) 4.439 4.148 ( 5.184 15.020 5.092) 16.686 5.444 ( -0.920 -4.144 -0.311) 4.256 5.756 ( 7.402 7.214 0.400) 10.344 6.677 ( -1.183 -4.408 2.621) 5.262 6.763 ( -1.136 2.243 -1.793) 3.088 6.864 ( 6.961 13.792 -5.658) 16.453 8.381 ( -1.735 -12.520 6.375) 14.157 8.805 ( -8.174 -4.764 -9.932) 13.717 ======================= 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| 1.729 ( 1.579 7.783 1.808) 8.144 1.875 ( 6.859 15.499 3.516) 17.309 2.638 ( 11.145 21.758 -4.273) 24.817 3.762 ( 3.022 4.635 -0.899) 5.605 4.420 ( 8.832 11.272 3.150) 14.662 5.382 ( -1.258 -5.044 0.967) 5.287 5.984 ( 8.983 9.244 -0.314) 12.893 6.618 ( -1.604 -4.006 2.385) 4.930 6.744 ( -1.210 1.048 -0.585) 1.704 7.090 ( 6.772 7.477 -5.144) 11.324 8.259 ( -1.157 -11.816 7.365) 13.972 8.546 ( -12.054 -2.418 -9.730) 15.679 ======================= 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| 1.849 ( 3.191 7.564 0.484) 8.224 2.166 ( 6.449 16.871 2.255) 18.202 3.034 ( 12.738 17.108 -2.024) 21.425 3.860 ( 2.148 6.850 -0.797) 7.223 4.672 ( 9.193 6.105 0.680) 11.056 5.300 ( -2.002 -6.582 0.984) 6.950 6.230 ( 8.163 10.555 -1.004) 13.381 6.567 ( -0.816 -2.949 1.377) 3.356 6.750 ( -0.634 3.607 0.105) 3.664 7.178 ( 1.426 -0.116 -5.136) 5.331 8.079 ( -9.529 -10.926 1.645) 14.591 8.406 ( 0.089 1.673 -0.886) 1.896 ======================= 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| 1.982 ( 3.555 6.646 0.051) 7.537 2.433 ( 4.165 16.666 2.003) 17.295 3.363 ( 8.879 11.220 -2.113) 14.464 3.967 ( 1.041 9.500 -1.161) 9.627 4.838 ( 4.280 1.322 -0.839) 4.557 5.212 ( 1.366 -7.490 1.658) 7.792 6.458 ( 6.363 10.524 -1.240) 12.360 6.548 ( 0.889 -1.505 0.219) 1.761 6.793 ( -0.270 6.012 0.684) 6.057 7.135 ( -2.013 -2.342 -4.533) 5.485 7.810 ( -10.216 -6.771 1.052) 12.301 8.485 ( 5.597 -0.014 2.049) 5.960 ======================= 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| 2.093 ( 2.510 5.154 -0.468) 5.752 2.645 ( 0.766 15.804 2.167) 15.970 3.528 ( 2.282 4.910 -4.086) 6.783 4.062 ( -1.591 11.048 -2.584) 11.457 4.806 ( -4.017 -2.673 -2.981) 5.671 5.271 ( 9.994 -5.687 6.149) 13.040 6.562 ( 1.182 -0.179 -0.277) 1.228 6.645 ( 4.368 9.427 -1.209) 10.460 6.863 ( 1.031 6.446 0.853) 6.583 7.049 ( -4.348 -1.100 -3.847) 5.909 7.632 ( -5.153 -3.602 3.468) 7.180 8.570 ( 4.776 -2.637 0.393) 5.470 ======================= 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| 1.672 ( 0.000 13.941 0.579) 13.953 1.743 ( 0.000 6.576 2.809) 7.151 2.467 ( -0.000 25.096 -7.063) 26.071 3.660 ( 0.000 2.905 -0.004) 2.905 4.300 ( 0.000 17.645 6.148) 18.686 5.410 ( 0.000 -4.835 1.358) 5.022 5.778 ( 0.000 9.513 2.988) 9.971 6.652 ( 0.000 -4.397 3.009) 5.328 6.771 ( -0.000 -1.715 -1.466) 2.256 6.933 ( -0.000 14.525 -4.185) 15.116 8.279 ( 0.000 -13.823 4.826) 14.641 8.795 ( -0.000 -4.331 -11.377) 12.174 ======================= 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| 1.789 ( 0.196 7.424 -1.652) 7.608 1.895 ( 7.410 13.169 -0.002) 15.110 2.723 ( 4.148 23.224 -4.684) 24.052 3.731 ( 4.012 3.532 -0.050) 5.345 4.497 ( 0.763 15.921 4.585) 16.586 5.358 ( -1.058 -5.216 2.771) 6.000 5.951 ( 6.329 10.752 3.140) 12.866 6.612 ( -1.134 -3.706 2.867) 4.821 6.750 ( 0.280 -0.603 -2.077) 2.181 7.069 ( 3.005 7.519 -2.097) 8.365 8.159 ( 0.160 -13.156 4.633) 13.948 8.656 ( -6.989 -2.270 -11.337) 13.510 ======================= 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| 1.874 ( 2.305 6.987 -1.755) 7.564 2.190 ( 9.775 14.732 0.037) 17.680 3.030 ( 8.000 19.017 -1.706) 20.702 3.854 ( 5.262 4.990 -0.245) 7.256 4.662 ( 1.792 10.918 1.506) 11.166 5.283 ( -2.581 -5.849 2.646) 6.919 6.200 ( 8.088 11.429 1.842) 14.122 6.564 ( -1.471 -2.663 1.827) 3.548 6.767 ( 1.729 1.978 -1.516) 3.033 7.142 ( 1.347 0.448 -1.847) 2.329 8.047 ( -0.923 -12.898 3.665) 13.440 8.487 ( -6.985 2.178 -7.373) 10.387 ======================= 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| 1.989 ( 3.364 6.557 -0.554) 7.390 2.498 ( 8.154 15.283 0.414) 17.327 3.334 ( 8.018 13.106 -0.303) 15.367 4.009 ( 5.164 8.436 -0.215) 9.893 4.790 ( 3.433 5.415 -0.040) 6.412 5.164 ( -4.161 -7.447 0.893) 8.577 6.446 ( 6.606 10.402 0.084) 12.323 6.533 ( 0.031 -0.487 0.972) 1.088 6.834 ( 2.180 4.665 -0.444) 5.169 7.125 ( -0.737 -2.252 -1.846) 3.004 7.875 ( -5.749 -10.202 0.605) 11.725 8.443 ( 0.007 2.372 -0.925) 2.546 ======================= 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| 2.102 ( 2.701 5.374 0.013) 6.015 2.766 ( 4.889 15.230 1.258) 16.045 3.529 ( 3.275 6.383 -1.265) 7.285 4.183 ( 2.116 12.787 -1.371) 13.033 4.850 ( -2.935 1.249 -2.373) 3.975 5.062 ( 5.322 -9.124 3.310) 11.069 6.523 ( 1.518 0.097 -0.457) 1.588 6.669 ( 4.803 9.916 -0.516) 11.030 6.905 ( 0.516 3.036 0.952) 3.224 7.094 ( -0.916 2.052 -1.672) 2.801 7.692 ( -5.667 -5.933 0.996) 8.265 8.479 ( 2.664 -1.418 0.517) 3.062 ======================= 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| 1.849 ( -0.000 5.667 -4.897) 7.490 1.940 ( 0.000 13.381 -1.662) 13.483 2.897 ( 0.000 21.025 -3.268) 21.278 3.730 ( 0.000 3.756 0.735) 3.828 4.673 ( 0.000 15.030 3.789) 15.500 5.331 ( 0.000 -4.420 4.316) 6.177 6.020 ( 0.000 11.683 4.857) 12.652 6.602 ( 0.000 -2.447 3.176) 4.009 6.722 ( -0.000 -1.538 -3.252) 3.597 7.104 ( 0.000 4.099 0.003) 4.099 8.040 ( -0.000 -12.549 2.618) 12.820 8.660 ( -0.000 -0.882 -11.333) 11.367 ======================= 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| 1.896 ( 1.334 6.094 -4.009) 7.415 2.148 ( 8.950 12.560 -1.953) 15.546 3.111 ( 3.498 17.275 -0.679) 17.638 3.808 ( 4.192 3.968 0.622) 5.806 4.789 ( -1.808 9.461 1.737) 9.788 5.296 ( -2.317 -2.085 3.852) 4.955 6.204 ( 5.461 11.667 4.231) 13.559 6.578 ( -1.716 -1.249 2.163) 3.030 6.725 ( 2.985 0.003 -2.811) 4.101 7.128 ( 0.219 -0.573 0.750) 0.969 7.931 ( 0.378 -11.714 1.275) 11.789 8.585 ( -4.502 2.025 -8.500) 9.829 ======================= 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| 1.990 ( 3.278 5.986 -1.515) 6.990 2.452 ( 12.042 12.141 -1.768) 17.191 3.344 ( 5.721 12.263 1.462) 13.610 3.957 ( 7.704 5.140 0.767) 9.293 4.827 ( -0.899 3.191 1.266) 3.549 5.219 ( -6.543 -0.327 0.273) 6.557 6.440 ( 6.849 10.842 2.178) 13.007 6.545 ( -1.476 -0.166 1.004) 1.793 6.804 ( 4.971 2.811 -1.523) 5.911 7.107 ( -0.478 -3.071 1.010) 3.268 7.818 ( -0.877 -10.751 -0.422) 10.795 8.514 ( -4.371 3.779 -3.582) 6.798 ======================= 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| 1.927 ( -0.000 5.653 -3.975) 6.910 2.175 ( 0.000 11.308 -1.756) 11.444 3.238 ( 0.000 13.747 1.351) 13.813 3.812 ( 0.000 3.670 0.838) 3.764 4.868 ( 0.000 1.521 1.815) 2.368 5.342 ( 0.000 4.075 2.076) 4.574 6.284 ( 0.000 10.889 4.649) 11.840 6.609 ( 0.000 1.249 2.844) 3.106 6.672 ( -0.000 -0.769 -3.762) 3.840 7.117 ( 0.000 -2.641 1.976) 3.298 7.820 ( -0.000 -9.934 -1.216) 10.008 8.621 ( -0.000 2.865 -6.575) 7.172 ======================= 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| 1.993 ( 2.194 5.600 -1.332) 6.160 2.359 ( 9.226 9.853 -1.747) 13.611 3.388 ( 2.793 9.558 3.656) 10.608 3.890 ( 4.794 3.509 0.919) 6.011 4.851 ( -0.984 -3.319 2.657) 4.364 5.356 ( -4.965 6.239 -2.435) 8.337 6.441 ( 5.121 8.640 2.410) 10.329 6.592 ( -2.883 1.744 0.898) 3.487 6.731 ( 5.337 2.512 -0.661) 5.936 7.085 ( -0.461 -4.276 2.562) 5.006 7.722 ( -0.124 -8.329 -2.974) 8.845 8.609 ( -3.051 3.679 -3.050) 5.670 ======================= 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| 2.026 ( 0.000 5.482 0.489) 5.504 2.360 ( 0.000 8.062 -0.813) 8.102 3.462 ( 0.000 6.489 6.401) 9.115 3.878 ( 0.000 2.442 0.387) 2.472 4.823 ( 0.000 -5.406 3.397) 6.385 5.452 ( -0.000 6.243 -6.310) 8.876 6.455 ( -0.000 3.300 -1.418) 3.592 6.680 ( 0.000 3.966 1.359) 4.192 6.695 ( 0.000 5.427 3.044) 6.222 7.051 ( 0.000 -5.319 2.922) 6.069 7.641 ( -0.000 -5.566 -5.046) 7.513 8.664 ( 0.000 3.457 -0.816) 3.552 ======================= 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| 1.033 ( 0.000 0.000 13.115) 13.115 1.033 ( 0.000 0.000 13.115) 13.115 1.715 ( 0.000 0.000 23.293) 23.293 3.593 ( -0.000 -0.000 -1.562) 1.562 3.593 ( -0.000 -0.000 -1.562) 1.562 5.562 ( -0.000 -0.000 -3.831) 3.831 5.562 ( -0.000 -0.000 -3.831) 3.831 5.882 ( -0.000 -0.000 -12.324) 12.324 6.813 ( 0.000 0.000 2.578) 2.578 6.813 ( 0.000 0.000 2.578) 2.578 8.721 ( 0.000 0.000 8.331) 8.331 9.086 ( -0.000 -0.000 -4.344) 4.344 ======================= 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| 1.121 ( 5.255 3.034 11.084) 12.636 1.271 ( 13.069 7.545 12.744) 19.752 1.781 ( 0.601 0.347 12.594) 12.613 3.603 ( 1.100 0.635 -1.585) 2.031 3.695 ( 9.368 5.409 0.597) 10.833 5.526 ( -0.617 -0.356 -3.727) 3.794 5.627 ( 4.851 2.801 -4.659) 7.286 6.091 ( 19.574 11.301 -11.930) 25.558 6.787 ( -2.153 -1.243 2.955) 3.862 6.824 ( -0.756 -0.437 1.240) 1.516 8.693 ( -4.779 -2.759 8.435) 10.079 9.012 ( -5.435 -3.138 -5.745) 8.508 ======================= 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| 1.331 ( 9.906 5.719 7.448) 13.650 1.544 ( 3.170 1.830 17.676) 18.051 1.952 ( 16.285 9.402 -5.031) 19.466 3.633 ( 2.011 1.161 -1.508) 2.768 4.000 ( 15.623 9.020 2.934) 18.277 5.492 ( -1.256 -0.725 -2.935) 3.274 5.750 ( 7.265 4.195 -5.249) 9.896 6.563 ( 21.604 12.473 -9.455) 26.678 6.739 ( -2.836 -1.638 3.321) 4.664 6.792 ( -1.408 -0.813 0.087) 1.628 8.573 ( -7.608 -4.392 8.797) 12.432 8.796 ( -11.254 -6.497 -7.110) 14.813 ======================= 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| 1.607 ( 12.070 6.969 4.309) 14.588 1.628 ( 2.547 1.471 9.085) 9.549 2.407 ( 22.129 12.776 -3.385) 25.775 3.684 ( 2.818 1.627 -1.348) 3.522 4.378 ( 15.667 9.045 2.336) 18.240 5.450 ( -1.854 -1.070 -1.689) 2.727 5.921 ( 9.125 5.268 -5.381) 11.831 6.686 ( -2.647 -1.528 3.627) 4.743 6.697 ( -2.708 -1.564 -0.217) 3.135 7.008 ( 14.593 8.425 -7.903) 18.611 8.446 ( -5.469 -3.157 10.335) 12.111 8.468 ( -14.309 -8.261 -7.539) 18.161 ======================= 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| 1.748 ( 5.770 3.331 4.078) 7.812 1.897 ( 11.977 6.915 2.372) 14.032 2.884 ( 19.532 11.277 -1.737) 22.620 3.750 ( 3.232 1.866 -1.129) 3.899 4.702 ( 11.617 6.707 1.177) 13.466 5.392 ( -2.701 -1.559 -1.474) 3.449 6.124 ( 9.863 5.695 -4.854) 12.380 6.640 ( -1.690 -0.976 -0.536) 2.024 6.648 ( -1.666 -0.962 3.637) 4.115 7.185 ( 3.267 1.886 -7.387) 8.294 8.105 ( -14.590 -8.423 -3.270) 17.161 8.446 ( 2.199 1.270 8.305) 8.685 ======================= 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| 1.899 ( 6.126 3.537 1.460) 7.223 2.159 ( 10.097 5.830 1.396) 11.743 3.259 ( 13.376 7.723 -2.889) 15.713 3.820 ( 3.023 1.745 -0.813) 3.584 4.880 ( 2.504 1.446 -0.501) 2.934 5.350 ( 0.875 0.505 0.408) 1.090 6.324 ( 8.311 4.799 -3.079) 10.079 6.630 ( 1.368 0.790 -1.472) 2.159 6.639 ( 0.105 0.060 2.541) 2.544 7.156 ( -2.786 -1.609 -5.537) 6.404 7.807 ( -10.632 -6.138 1.329) 12.348 8.562 ( 4.802 2.772 4.882) 7.388 ======================= 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| 1.201 ( 0.000 7.622 7.645) 10.795 1.273 ( 0.000 15.246 11.744) 19.245 1.845 ( 0.000 1.229 10.892) 10.961 3.589 ( -0.000 0.788 -1.085) 1.341 3.692 ( 0.000 10.011 0.456) 10.022 5.539 ( -0.000 1.980 -1.188) 2.309 5.543 ( -0.000 -1.549 -4.339) 4.607 6.074 ( -0.000 23.495 -10.814) 25.864 6.797 ( 0.000 -2.434 2.332) 3.371 6.830 ( 0.000 -0.677 1.140) 1.326 8.714 ( 0.000 -6.528 8.115) 10.415 9.012 ( -0.000 -3.666 -6.387) 7.364 ======================= 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| 1.334 ( 3.419 10.834 5.742) 12.730 1.559 ( 7.148 9.656 14.799) 19.061 1.890 ( 1.726 9.662 -3.284) 10.349 3.620 ( 1.796 2.034 -1.075) 2.919 3.887 ( 8.781 12.290 2.510) 15.312 5.491 ( -1.146 -1.322 -2.470) 3.027 5.646 ( 6.954 3.571 -2.201) 8.121 6.400 ( 12.406 22.719 -8.308) 27.186 6.763 ( -1.498 -3.122 2.534) 4.291 6.811 ( -1.229 -1.149 0.144) 1.689 8.629 ( -3.408 -9.308 8.170) 12.845 8.880 ( -7.386 -5.353 -7.824) 12.018 ======================= 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| 1.558 ( 6.732 11.621 3.713) 13.934 1.683 ( -0.507 3.695 9.646) 10.342 2.209 ( 16.487 19.051 -4.319) 25.562 3.674 ( 1.599 3.698 -1.036) 4.160 4.214 ( 13.805 10.553 1.928) 17.483 5.451 ( -1.025 -2.121 -1.295) 2.688 5.818 ( 8.000 6.706 -3.299) 10.948 6.704 ( -2.045 -3.294 1.949) 4.340 6.725 ( 1.180 2.310 -0.475) 2.637 6.856 ( 10.539 11.725 -4.975) 16.532 8.498 ( -3.544 -8.905 8.935) 13.103 8.611 ( -13.088 -6.838 -7.953) 16.772 ======================= 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| 1.729 ( 3.394 4.756 4.019) 7.091 1.858 ( 6.766 14.266 3.255) 16.122 2.688 ( 18.179 16.546 -1.278) 24.615 3.741 ( 1.635 4.773 -0.946) 5.133 4.546 ( 13.588 7.076 0.137) 15.321 5.398 ( -1.733 -3.310 -1.154) 3.911 6.026 ( 8.317 8.900 -3.901) 12.791 6.637 ( -1.851 -3.478 0.943) 4.051 6.707 ( -2.136 0.986 1.526) 2.804 7.107 ( 6.680 5.524 -5.684) 10.366 8.267 ( -14.849 -7.868 -4.942) 17.516 8.437 ( 1.079 -3.951 8.678) 9.596 ======================= 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| 1.862 ( 4.509 5.434 2.732) 7.571 2.127 ( 6.433 14.116 2.137) 15.659 3.114 ( 14.185 12.467 -1.181) 18.921 3.816 ( 1.487 5.487 -0.890) 5.755 4.799 ( 8.959 2.922 -0.332) 9.429 5.324 ( -0.801 -3.969 -1.754) 4.412 6.245 ( 7.755 9.576 -3.789) 12.892 6.591 ( 0.012 -2.531 -0.187) 2.538 6.701 ( -1.724 3.326 1.957) 4.227 7.155 ( -0.590 -0.700 -4.528) 4.619 7.944 ( -12.432 -6.557 -1.152) 14.103 8.506 ( 5.294 -0.658 6.934) 8.749 ======================= 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| 1.423 ( 0.000 11.188 2.050) 11.374 1.648 ( 0.000 8.550 12.736) 15.340 1.984 ( -0.000 16.394 -7.966) 18.227 3.611 ( 0.000 1.966 -0.291) 1.988 3.977 ( 0.000 16.369 3.850) 16.816 5.479 ( -0.000 -2.457 -1.897) 3.104 5.626 ( 0.000 6.518 1.988) 6.814 6.518 ( 0.000 24.699 -6.184) 25.462 6.748 ( 0.000 -3.956 2.476) 4.667 6.805 ( -0.000 -1.904 -0.653) 2.013 8.571 ( 0.000 -12.732 7.102) 14.579 8.863 ( -0.000 -5.672 -9.375) 10.957 ======================= 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| 1.590 ( 4.672 12.260 0.719) 13.140 1.736 ( 1.137 2.885 5.080) 5.951 2.218 ( 6.265 24.650 -5.536) 26.029 3.666 ( 3.026 2.977 -0.262) 4.253 4.194 ( 4.326 15.840 3.673) 16.826 5.441 ( -0.884 -2.709 -0.217) 2.857 5.766 ( 5.879 8.471 1.600) 10.435 6.702 ( -1.124 -4.050 1.972) 4.643 6.742 ( 0.207 5.942 -1.836) 6.223 6.825 ( 5.675 10.921 -2.124) 12.489 8.449 ( -0.941 -13.427 7.122) 15.228 8.703 ( -7.755 -5.927 -10.209) 14.125 ======================= 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| 1.742 ( 2.385 5.880 0.662) 6.380 1.901 ( 7.194 13.833 1.394) 15.654 2.607 ( 12.218 21.984 -1.649) 25.205 3.756 ( 2.879 4.760 -0.330) 5.573 4.442 ( 7.454 11.430 1.112) 13.691 5.388 ( -1.679 -3.855 0.312) 4.217 5.982 ( 7.396 10.608 -0.111) 12.932 6.638 ( -2.001 -3.968 1.158) 4.592 6.739 ( -0.385 0.527 -0.353) 0.742 7.053 ( 5.713 8.372 -1.954) 10.322 8.334 ( -1.852 -13.604 6.804) 15.323 8.454 ( -8.990 -2.138 -7.639) 11.989 ======================= 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| 1.858 ( 3.781 6.282 1.262) 7.440 2.184 ( 6.875 16.287 1.266) 17.724 3.023 ( 12.802 17.084 -0.237) 21.350 3.854 ( 1.966 6.947 -0.327) 7.227 4.673 ( 8.772 6.162 -0.516) 10.732 5.301 ( -2.746 -5.706 -0.863) 6.391 6.217 ( 7.098 11.759 -1.542) 13.822 6.574 ( -1.261 -2.913 -0.114) 3.176 6.755 ( 0.090 3.011 0.846) 3.129 7.141 ( 0.583 0.647 -1.843) 2.038 8.077 ( -11.398 -9.194 -1.970) 14.776 8.425 ( 4.059 -1.363 4.386) 6.129 ======================= 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| 1.668 ( 0.000 13.162 -1.369) 13.233 1.751 ( -0.000 2.221 -1.520) 2.691 2.407 ( 0.000 26.119 -4.230) 26.459 3.663 ( 0.000 3.139 0.579) 3.192 4.354 ( 0.000 17.832 4.369) 18.360 5.422 ( 0.000 -3.142 1.110) 3.332 5.816 ( 0.000 10.135 4.436) 11.063 6.679 ( 0.000 -3.946 2.072) 4.457 6.751 ( -0.000 -2.314 -2.480) 3.392 6.913 ( 0.000 15.763 0.408) 15.768 8.332 ( 0.000 -14.945 5.702) 15.996 8.677 ( -0.000 -5.109 -11.813) 12.871 ======================= 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| 1.765 ( 0.987 5.694 -3.057) 6.537 1.885 ( 8.373 12.424 -1.954) 15.109 2.690 ( 4.821 23.976 -1.732) 24.517 3.733 ( 3.612 3.721 0.512) 5.211 4.534 ( -0.157 15.422 2.562) 15.634 5.382 ( -1.417 -3.812 1.967) 4.517 5.986 ( 5.075 11.361 3.774) 13.002 6.635 ( -1.545 -3.556 1.406) 4.124 6.727 ( 0.911 -1.043 -2.283) 2.670 7.068 ( 2.339 8.128 1.949) 8.679 8.211 ( 0.902 -14.784 5.527) 15.809 8.541 ( -6.041 -1.867 -11.184) 12.848 ======================= 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| 1.797 ( -0.000 5.327 -5.196) 7.442 1.920 ( 0.000 13.353 -2.210) 13.535 2.878 ( 0.000 22.111 -0.564) 22.118 3.739 ( 0.000 3.807 1.026) 3.943 4.700 ( 0.000 13.891 1.516) 13.974 5.369 ( 0.000 -3.366 3.024) 4.525 6.072 ( 0.000 11.764 5.286) 12.897 6.628 ( 0.000 -2.191 1.841) 2.861 6.686 ( -0.000 -1.913 -3.743) 4.204 7.125 ( 0.000 4.017 4.183) 5.799 8.070 ( -0.000 -14.523 3.380) 14.911 8.546 ( -0.000 0.654 -10.883) 10.903 ======================= 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| 1.142 ( 0.000 0.000 8.293) 8.293 1.142 ( 0.000 0.000 8.293) 8.293 1.911 ( 0.000 0.000 15.160) 15.160 3.579 ( -0.000 -0.000 -1.151) 1.151 3.579 ( -0.000 -0.000 -1.151) 1.151 5.529 ( -0.000 -0.000 -2.513) 2.513 5.529 ( -0.000 -0.000 -2.513) 2.513 5.774 ( -0.000 -0.000 -8.678) 8.678 6.835 ( 0.000 0.000 1.667) 1.667 6.835 ( 0.000 0.000 1.667) 1.667 8.803 ( 0.000 0.000 7.565) 7.565 9.038 ( -0.000 -0.000 -4.982) 4.982 ======================= 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| 1.213 ( 4.701 2.714 6.947) 8.816 1.370 ( 15.272 8.817 6.567) 18.817 1.885 ( -5.270 -3.042 7.738) 9.844 3.589 ( 1.049 0.605 -1.139) 1.662 3.700 ( 10.508 6.067 0.421) 12.141 5.496 ( -0.839 -0.484 -2.076) 2.291 5.584 ( 4.293 2.479 -3.797) 6.244 5.999 ( 19.543 11.283 -6.224) 23.409 6.813 ( -1.840 -1.062 2.163) 3.032 6.832 ( -1.193 -0.689 0.338) 1.418 8.777 ( -4.388 -2.534 8.077) 9.535 8.950 ( -6.184 -3.570 -6.374) 9.572 ======================= 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| 1.393 ( 9.033 5.215 4.799) 11.481 1.713 ( -0.073 -0.042 14.880) 14.880 1.887 ( 17.279 9.976 -7.210) 21.214 3.620 ( 1.988 1.148 -1.099) 2.545 4.018 ( 15.840 9.145 0.480) 18.297 5.470 ( -1.012 -0.584 -1.411) 1.832 5.698 ( 6.936 4.004 -4.783) 9.328 6.494 ( 22.295 12.872 -4.104) 26.069 6.770 ( -2.539 -1.466 2.694) 3.981 6.787 ( -2.241 -1.294 -1.046) 2.791 8.663 ( -7.928 -4.577 8.045) 12.187 8.726 ( -10.653 -6.151 -5.971) 13.674 ======================= 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| 1.645 ( 11.391 6.577 3.099) 13.513 1.710 ( 0.674 0.389 6.504) 6.550 2.387 ( 22.899 13.221 -0.203) 26.442 3.672 ( 2.826 1.632 -1.072) 3.435 4.383 ( 15.539 8.972 -1.237) 17.986 5.434 ( -1.880 -1.085 -1.381) 2.573 5.866 ( 9.088 5.247 -5.289) 11.752 6.693 ( -2.802 -1.618 -0.733) 3.317 6.721 ( -2.415 -1.394 3.259) 4.289 6.941 ( 14.139 8.163 -4.951) 17.061 8.395 ( -13.570 -7.835 -6.676) 17.032 8.559 ( -5.243 -3.027 11.478) 12.977 ======================= 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| 1.255 ( 0.000 6.285 2.921) 6.931 1.367 ( 0.000 17.047 6.548) 18.261 1.923 ( 0.000 -5.081 4.384) 6.711 3.581 ( -0.000 0.948 -0.422) 1.037 3.698 ( 0.000 11.560 0.570) 11.574 5.505 ( -0.000 -1.264 -2.978) 3.235 5.536 ( 0.000 3.006 0.680) 3.082 5.992 ( 0.000 23.142 -5.395) 23.763 6.818 ( 0.000 -2.253 1.704) 2.825 6.836 ( -0.000 -1.171 0.009) 1.171 8.794 ( 0.000 -6.292 7.534) 9.816 8.944 ( -0.000 -5.102 -6.889) 8.572 ======================= 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| 1.374 ( 4.327 9.217 2.018) 10.380 1.687 ( 11.201 15.644 9.299) 21.370 1.841 ( -2.860 0.212 -5.336) 6.058 3.612 ( 1.510 2.235 -0.402) 2.727 3.906 ( 8.420 13.413 1.002) 15.868 5.473 ( -0.840 -1.065 -0.955) 1.658 5.631 ( 4.790 5.279 -0.810) 7.174 6.343 ( 12.978 22.980 -2.809) 26.540 6.785 ( -1.428 -3.072 1.553) 3.727 6.808 ( -1.242 -1.460 -0.583) 2.004 8.713 ( -2.962 -9.768 8.195) 13.090 8.798 ( -7.045 -6.184 -8.079) 12.375 ======================= 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| 1.585 ( 7.211 10.603 1.638) 12.927 1.750 ( -1.067 1.142 2.871) 3.269 2.186 ( 18.196 19.410 0.293) 26.607 3.666 ( 1.385 3.899 -0.441) 4.162 4.218 ( 12.801 11.065 -1.075) 16.955 5.441 ( -1.227 -1.782 -0.468) 2.213 5.788 ( 6.307 8.168 -2.639) 10.652 6.711 ( -0.687 -0.156 -0.037) 0.705 6.731 ( 2.427 0.656 0.863) 2.658 6.822 ( 7.652 10.323 -1.630) 12.953 8.523 ( -11.620 -6.836 -7.072) 15.224 8.602 ( -3.109 -9.871 9.243) 13.876 ======================= 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| 1.426 ( 0.000 10.364 -1.470) 10.468 1.762 ( 0.000 1.399 8.426) 8.542 1.885 ( -0.000 19.370 -10.083) 21.837 3.612 ( 0.000 2.170 0.436) 2.213 4.009 ( 0.000 17.663 2.185) 17.797 5.465 ( -0.000 -1.467 -0.570) 1.574 5.655 ( 0.000 7.356 3.645) 8.210 6.480 ( 0.000 25.617 -1.218) 25.646 6.771 ( 0.000 -3.402 2.017) 3.955 6.792 ( -0.000 -2.454 -1.755) 3.017 8.643 ( 0.000 -13.458 7.029) 15.183 8.768 ( -0.000 -6.815 -9.313) 11.540 ======================= 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| 1.199 ( 0.000 0.000 2.842) 2.842 1.199 ( 0.000 0.000 2.842) 2.842 2.016 ( 0.000 0.000 5.291) 5.291 3.571 ( -0.000 -0.000 -0.427) 0.427 3.571 ( -0.000 -0.000 -0.427) 0.427 5.512 ( -0.000 -0.000 -0.874) 0.874 5.512 ( -0.000 -0.000 -0.874) 0.874 5.713 ( -0.000 -0.000 -3.146) 3.146 6.847 ( 0.000 0.000 0.575) 0.575 6.847 ( 0.000 0.000 0.575) 0.575 8.868 ( 0.000 0.000 4.589) 4.589 8.990 ( -0.000 -0.000 -3.697) 3.697 ======================= 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| 1.259 ( 4.791 2.766 2.116) 5.924 1.402 ( 15.800 9.122 -0.192) 18.245 1.935 ( -6.939 -4.006 2.014) 8.261 3.581 ( 0.951 0.549 -0.399) 1.168 3.702 ( 10.748 6.206 -0.136) 12.412 5.487 ( -0.988 -0.571 0.449) 1.227 5.552 ( 3.506 2.024 -2.413) 4.713 5.966 ( 19.777 11.418 -0.323) 22.839 6.830 ( -1.445 -0.834 1.130) 2.016 6.830 ( -1.605 -0.926 -0.731) 1.992 8.845 ( -3.146 -1.816 2.188) 4.240 8.893 ( -7.316 -4.224 -1.643) 8.606 =================== 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 2097.167 2097.167 3982.646 0.000 0.000 0.000 3/40500 20.0 686.388 686.388 639.982 0.000 -0.000 0.000 3/40500 30.0 259.285 259.285 197.665 0.000 -0.000 0.000 3/40500 40.0 130.717 130.717 83.751 0.000 -0.000 0.000 3/40500 50.0 79.135 79.135 45.159 0.000 -0.000 0.000 3/40500 60.0 53.903 53.903 28.671 0.000 -0.000 0.000 3/40500 70.0 39.880 39.880 20.314 0.000 -0.000 -0.000 3/40500 80.0 31.311 31.311 15.517 0.000 -0.000 -0.000 3/40500 90.0 25.671 25.671 12.495 0.000 -0.000 -0.000 3/40500 100.0 21.733 21.733 10.451 0.000 -0.000 -0.000 3/40500 110.0 18.850 18.850 8.989 0.000 -0.000 -0.000 3/40500 120.0 16.656 16.656 7.897 0.000 -0.000 -0.000 3/40500 130.0 14.933 14.933 7.051 0.000 -0.000 -0.000 3/40500 140.0 13.546 13.546 6.377 0.000 -0.000 -0.000 3/40500 150.0 12.405 12.405 5.827 0.000 -0.000 -0.000 3/40500 160.0 11.449 11.449 5.369 0.000 -0.000 -0.000 3/40500 170.0 10.637 10.637 4.982 0.000 -0.000 -0.000 3/40500 180.0 9.937 9.937 4.650 0.000 -0.000 -0.000 3/40500 190.0 9.327 9.327 4.362 0.000 -0.000 -0.000 3/40500 200.0 8.791 8.791 4.109 0.000 -0.000 -0.000 3/40500 210.0 8.316 8.316 3.885 0.000 -0.000 -0.000 3/40500 220.0 7.891 7.891 3.686 0.000 -0.000 -0.000 3/40500 230.0 7.510 7.510 3.507 0.000 -0.000 -0.000 3/40500 240.0 7.165 7.165 3.345 0.000 -0.000 -0.000 3/40500 250.0 6.851 6.851 3.198 0.000 -0.000 -0.000 3/40500 260.0 6.565 6.565 3.064 0.000 -0.000 -0.000 3/40500 270.0 6.302 6.302 2.941 0.000 -0.000 -0.000 3/40500 280.0 6.060 6.060 2.828 0.000 -0.000 -0.000 3/40500 290.0 5.837 5.837 2.724 0.000 -0.000 -0.000 3/40500 300.0 5.629 5.629 2.627 0.000 -0.000 -0.000 3/40500 310.0 5.437 5.437 2.537 0.000 -0.000 -0.000 3/40500 320.0 5.257 5.257 2.453 0.000 -0.000 -0.000 3/40500 330.0 5.090 5.090 2.375 0.000 -0.000 -0.000 3/40500 340.0 4.932 4.932 2.302 0.000 -0.000 -0.000 3/40500 350.0 4.785 4.785 2.233 0.000 -0.000 -0.000 3/40500 360.0 4.646 4.646 2.168 0.000 -0.000 -0.000 3/40500 370.0 4.515 4.515 2.107 0.000 -0.000 -0.000 3/40500 380.0 4.392 4.392 2.049 0.000 -0.000 -0.000 3/40500 390.0 4.275 4.275 1.995 0.000 -0.000 -0.000 3/40500 400.0 4.165 4.165 1.943 0.000 -0.000 -0.000 3/40500 410.0 4.060 4.060 1.894 0.000 -0.000 -0.000 3/40500 420.0 3.960 3.960 1.848 0.000 -0.000 -0.000 3/40500 430.0 3.865 3.865 1.804 0.000 -0.000 -0.000 3/40500 440.0 3.775 3.775 1.761 0.000 -0.000 -0.000 3/40500 450.0 3.688 3.688 1.721 0.000 -0.000 -0.000 3/40500 460.0 3.606 3.606 1.683 0.000 -0.000 -0.000 3/40500 470.0 3.527 3.527 1.646 0.000 -0.000 -0.000 3/40500 480.0 3.452 3.452 1.611 0.000 -0.000 -0.000 3/40500 490.0 3.380 3.380 1.578 0.000 -0.000 -0.000 3/40500 500.0 3.311 3.311 1.545 0.000 -0.000 -0.000 3/40500 510.0 3.245 3.245 1.514 0.000 -0.000 -0.000 3/40500 520.0 3.181 3.181 1.485 0.000 -0.000 -0.000 3/40500 530.0 3.120 3.120 1.456 0.000 -0.000 -0.000 3/40500 540.0 3.061 3.061 1.429 0.000 -0.000 -0.000 3/40500 550.0 3.004 3.004 1.402 0.000 -0.000 -0.000 3/40500 560.0 2.950 2.950 1.377 0.000 -0.000 -0.000 3/40500 570.0 2.897 2.897 1.352 0.000 -0.000 -0.000 3/40500 580.0 2.847 2.847 1.329 0.000 -0.000 -0.000 3/40500 590.0 2.798 2.798 1.306 0.000 -0.000 -0.000 3/40500 600.0 2.750 2.750 1.284 0.000 -0.000 -0.000 3/40500 610.0 2.705 2.705 1.263 0.000 -0.000 -0.000 3/40500 620.0 2.660 2.660 1.242 0.000 -0.000 -0.000 3/40500 630.0 2.618 2.618 1.222 0.000 -0.000 -0.000 3/40500 640.0 2.576 2.576 1.203 0.000 -0.000 -0.000 3/40500 650.0 2.536 2.536 1.184 0.000 -0.000 -0.000 3/40500 660.0 2.497 2.497 1.166 0.000 -0.000 -0.000 3/40500 670.0 2.459 2.459 1.148 0.000 -0.000 -0.000 3/40500 680.0 2.423 2.423 1.131 0.000 -0.000 -0.000 3/40500 690.0 2.387 2.387 1.115 0.000 -0.000 -0.000 3/40500 700.0 2.353 2.353 1.098 0.000 -0.000 -0.000 3/40500 710.0 2.319 2.319 1.083 0.000 -0.000 -0.000 3/40500 720.0 2.287 2.287 1.068 0.000 -0.000 -0.000 3/40500 730.0 2.255 2.255 1.053 0.000 -0.000 -0.000 3/40500 740.0 2.224 2.224 1.039 0.000 -0.000 -0.000 3/40500 750.0 2.195 2.195 1.025 0.000 -0.000 -0.000 3/40500 760.0 2.165 2.165 1.011 0.000 -0.000 -0.000 3/40500 770.0 2.137 2.137 0.998 0.000 -0.000 -0.000 3/40500 780.0 2.109 2.109 0.985 0.000 -0.000 -0.000 3/40500 790.0 2.083 2.083 0.972 0.000 -0.000 -0.000 3/40500 800.0 2.056 2.056 0.960 0.000 -0.000 -0.000 3/40500 810.0 2.031 2.031 0.948 0.000 -0.000 -0.000 3/40500 820.0 2.006 2.006 0.937 0.000 -0.000 -0.000 3/40500 830.0 1.981 1.981 0.925 0.000 -0.000 -0.000 3/40500 840.0 1.958 1.958 0.914 0.000 -0.000 -0.000 3/40500 850.0 1.934 1.934 0.903 0.000 -0.000 -0.000 3/40500 860.0 1.912 1.912 0.893 0.000 -0.000 -0.000 3/40500 870.0 1.890 1.890 0.882 0.000 -0.000 -0.000 3/40500 880.0 1.868 1.868 0.872 0.000 -0.000 -0.000 3/40500 890.0 1.847 1.847 0.862 0.000 -0.000 -0.000 3/40500 900.0 1.826 1.826 0.853 0.000 -0.000 -0.000 3/40500 910.0 1.806 1.806 0.843 0.000 -0.000 -0.000 3/40500 920.0 1.786 1.786 0.834 0.000 -0.000 -0.000 3/40500 930.0 1.767 1.767 0.825 0.000 -0.000 -0.000 3/40500 940.0 1.748 1.748 0.816 0.000 -0.000 -0.000 3/40500 950.0 1.730 1.730 0.808 0.000 -0.000 -0.000 3/40500 960.0 1.712 1.712 0.799 0.000 -0.000 -0.000 3/40500 970.0 1.694 1.694 0.791 0.000 -0.000 -0.000 3/40500 980.0 1.676 1.676 0.783 0.000 -0.000 -0.000 3/40500 990.0 1.659 1.659 0.775 0.000 -0.000 -0.000 3/40500 1000.0 1.643 1.643 0.767 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 23:12:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|