----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:18:03]------------------------- Compiled with OpenMP support (max 48 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 1.994155570988034 1.151326255715931 6.142116196666660 b -1.994155570988030 1.151326255715931 6.142116196666660 c 0.000000000000002 -2.302652511431865 6.142116196666660 Atomic positions (fractional): *1 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 *2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 *3 S 0.24439206493431 0.24439206493431 0.24439206493431 32.065 4 S 0.75560793506569 0.75560793506569 0.75560793506569 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.988311141976064 0.000000000000000 0.000000000000000 b -1.994155570988032 3.453978767147796 0.000000000000000 c 0.000000000000000 0.000000000000000 18.426348590000000 Atomic positions (fractional): *1 Ag 0.33333333333333 0.66666666666667 0.16666666666667 107.868 > 1 2 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.66666666666667 0.33333333333333 0.83333333333333 107.868 > 1 *4 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 5 Bi 0.66666666666667 0.33333333333333 0.33333333333333 208.980 > 2 6 Bi 0.33333333333333 0.66666666666667 0.66666666666667 208.980 > 2 *7 S 0.00000000000000 0.00000000000000 0.24439206493431 32.065 > 3 8 S 0.66666666666667 0.33333333333333 0.08894126839902 32.065 > 4 9 S 0.66666666666667 0.33333333333333 0.57772539826764 32.065 > 3 10 S 0.33333333333333 0.66666666666667 0.42227460173236 32.065 > 4 11 S 0.33333333333333 0.66666666666667 0.91105873160098 32.065 > 3 12 S 0.00000000000000 0.00000000000000 0.75560793506569 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.964933425928193 0.000000000000000 0.000000000000000 b -5.982466712964096 10.361936301443389 0.000000000000000 c 0.000000000000000 0.000000000000000 18.426348590000000 Atomic positions (fractional): *1 Ag 0.11111111111111 0.22222222222222 0.16666666666667 107.868 > 1 2 Ag 0.44444444444444 0.22222222222222 0.16666666666667 107.868 > 1 3 Ag 0.77777777777778 0.22222222222222 0.16666666666667 107.868 > 1 4 Ag 0.11111111111111 0.55555555555556 0.16666666666667 107.868 > 1 5 Ag 0.44444444444444 0.55555555555556 0.16666666666667 107.868 > 1 6 Ag 0.77777777777778 0.55555555555556 0.16666666666667 107.868 > 1 7 Ag 0.11111111111111 0.88888888888889 0.16666666666667 107.868 > 1 8 Ag 0.44444444444444 0.88888888888889 0.16666666666667 107.868 > 1 9 Ag 0.77777777777778 0.88888888888889 0.16666666666667 107.868 > 1 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 1 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 1 13 Ag 0.00000000000000 0.33333333333333 0.50000000000000 107.868 > 1 14 Ag 0.33333333333333 0.33333333333333 0.50000000000000 107.868 > 1 15 Ag 0.66666666666667 0.33333333333333 0.50000000000000 107.868 > 1 16 Ag 0.00000000000000 0.66666666666667 0.50000000000000 107.868 > 1 17 Ag 0.33333333333333 0.66666666666667 0.50000000000000 107.868 > 1 18 Ag 0.66666666666667 0.66666666666667 0.50000000000000 107.868 > 1 19 Ag 0.22222222222222 0.11111111111111 0.83333333333333 107.868 > 1 20 Ag 0.55555555555556 0.11111111111111 0.83333333333333 107.868 > 1 21 Ag 0.88888888888889 0.11111111111111 0.83333333333333 107.868 > 1 22 Ag 0.22222222222222 0.44444444444444 0.83333333333333 107.868 > 1 23 Ag 0.55555555555556 0.44444444444444 0.83333333333333 107.868 > 1 24 Ag 0.88888888888889 0.44444444444444 0.83333333333333 107.868 > 1 25 Ag 0.22222222222222 0.77777777777778 0.83333333333333 107.868 > 1 26 Ag 0.55555555555556 0.77777777777778 0.83333333333333 107.868 > 1 27 Ag 0.88888888888889 0.77777777777778 0.83333333333333 107.868 > 1 *28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 2 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 2 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 2 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 2 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 2 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 2 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 2 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 2 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 2 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 2 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 2 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 2 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 2 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 2 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 2 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 2 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 2 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 2 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 2 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 2 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 2 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 2 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 2 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 2 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 2 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 2 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 2 *55 S 0.00000000000000 0.00000000000000 0.24439206493431 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.24439206493431 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.24439206493431 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.24439206493431 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.24439206493431 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.24439206493431 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.24439206493431 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.24439206493431 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.24439206493431 32.065 > 3 64 S 0.22222222222222 0.11111111111111 0.08894126839902 32.065 > 4 65 S 0.55555555555556 0.11111111111111 0.08894126839902 32.065 > 4 66 S 0.88888888888889 0.11111111111111 0.08894126839902 32.065 > 4 67 S 0.22222222222222 0.44444444444444 0.08894126839902 32.065 > 4 68 S 0.55555555555556 0.44444444444444 0.08894126839902 32.065 > 4 69 S 0.88888888888889 0.44444444444444 0.08894126839902 32.065 > 4 70 S 0.22222222222222 0.77777777777778 0.08894126839902 32.065 > 4 71 S 0.55555555555556 0.77777777777778 0.08894126839902 32.065 > 4 72 S 0.88888888888889 0.77777777777778 0.08894126839902 32.065 > 4 73 S 0.22222222222222 0.11111111111111 0.57772539826764 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.57772539826764 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.57772539826764 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.57772539826764 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.57772539826764 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.57772539826764 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.57772539826764 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.57772539826764 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.57772539826764 32.065 > 3 82 S 0.11111111111111 0.22222222222222 0.42227460173236 32.065 > 4 83 S 0.44444444444444 0.22222222222222 0.42227460173236 32.065 > 4 84 S 0.77777777777778 0.22222222222222 0.42227460173236 32.065 > 4 85 S 0.11111111111111 0.55555555555556 0.42227460173236 32.065 > 4 86 S 0.44444444444444 0.55555555555556 0.42227460173236 32.065 > 4 87 S 0.77777777777778 0.55555555555556 0.42227460173236 32.065 > 4 88 S 0.11111111111111 0.88888888888889 0.42227460173236 32.065 > 4 89 S 0.44444444444444 0.88888888888889 0.42227460173236 32.065 > 4 90 S 0.77777777777778 0.88888888888889 0.42227460173236 32.065 > 4 91 S 0.11111111111111 0.22222222222222 0.91105873160098 32.065 > 3 92 S 0.44444444444444 0.22222222222222 0.91105873160098 32.065 > 3 93 S 0.77777777777778 0.22222222222222 0.91105873160098 32.065 > 3 94 S 0.11111111111111 0.55555555555556 0.91105873160098 32.065 > 3 95 S 0.44444444444444 0.55555555555556 0.91105873160098 32.065 > 3 96 S 0.77777777777778 0.55555555555556 0.91105873160098 32.065 > 3 97 S 0.11111111111111 0.88888888888889 0.91105873160098 32.065 > 3 98 S 0.44444444444444 0.88888888888889 0.91105873160098 32.065 > 3 99 S 0.77777777777778 0.88888888888889 0.91105873160098 32.065 > 3 100 S 0.00000000000000 0.00000000000000 0.75560793506569 32.065 > 4 101 S 0.33333333333333 0.00000000000000 0.75560793506569 32.065 > 4 102 S 0.66666666666667 0.00000000000000 0.75560793506569 32.065 > 4 103 S 0.00000000000000 0.33333333333333 0.75560793506569 32.065 > 4 104 S 0.33333333333333 0.33333333333333 0.75560793506569 32.065 > 4 105 S 0.66666666666667 0.33333333333333 0.75560793506569 32.065 > 4 106 S 0.00000000000000 0.66666666666667 0.75560793506569 32.065 > 4 107 S 0.33333333333333 0.66666666666667 0.75560793506569 32.065 > 4 108 S 0.66666666666667 0.66666666666667 0.75560793506569 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 25.8185783 0.0000000 0.0000000 0.0000000 25.8185783 0.0000000 0.0000000 0.0000000 17.8925489 -------------------------- Born effective charges -------------------------- 1 Ag 1.9681909 0.0000000 0.0000000 0.0000000 1.9681909 0.0000000 0.0000000 0.0000000 2.3714210 2 Bi 6.8836318 0.0000000 0.0000000 0.0000000 6.8836318 0.0000000 0.0000000 0.0000000 3.3526612 3 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 4 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 ---------------------------------------------------------------------------- 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: 216 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.083 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.089 --------------------------------- 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: 216 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 2026-01-08 08:18:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:18:07]------------------------- Compiled with OpenMP support (max 48 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 1.994155570988034 1.151326255715931 6.142116196666660 b -1.994155570988030 1.151326255715931 6.142116196666660 c 0.000000000000002 -2.302652511431865 6.142116196666660 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 S 0.24439206493431 0.24439206493431 0.24439206493431 32.065 4 S 0.75560793506569 0.75560793506569 0.75560793506569 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.964933425928193 0.000000000000000 0.000000000000000 b -5.982466712964096 10.361936301443389 0.000000000000000 c 0.000000000000000 0.000000000000000 18.426348590000000 Atomic positions (fractional): 1 Ag 0.11111111111111 0.22222222222222 0.16666666666667 107.868 > 1 2 Ag 0.44444444444444 0.22222222222222 0.16666666666667 107.868 > 1 3 Ag 0.77777777777778 0.22222222222222 0.16666666666667 107.868 > 1 4 Ag 0.11111111111111 0.55555555555556 0.16666666666667 107.868 > 1 5 Ag 0.44444444444444 0.55555555555556 0.16666666666667 107.868 > 1 6 Ag 0.77777777777778 0.55555555555556 0.16666666666667 107.868 > 1 7 Ag 0.11111111111111 0.88888888888889 0.16666666666667 107.868 > 1 8 Ag 0.44444444444444 0.88888888888889 0.16666666666667 107.868 > 1 9 Ag 0.77777777777778 0.88888888888889 0.16666666666667 107.868 > 1 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 1 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 1 13 Ag 0.00000000000000 0.33333333333333 0.50000000000000 107.868 > 1 14 Ag 0.33333333333333 0.33333333333333 0.50000000000000 107.868 > 1 15 Ag 0.66666666666667 0.33333333333333 0.50000000000000 107.868 > 1 16 Ag 0.00000000000000 0.66666666666667 0.50000000000000 107.868 > 1 17 Ag 0.33333333333333 0.66666666666667 0.50000000000000 107.868 > 1 18 Ag 0.66666666666667 0.66666666666667 0.50000000000000 107.868 > 1 19 Ag 0.22222222222222 0.11111111111111 0.83333333333333 107.868 > 1 20 Ag 0.55555555555556 0.11111111111111 0.83333333333333 107.868 > 1 21 Ag 0.88888888888889 0.11111111111111 0.83333333333333 107.868 > 1 22 Ag 0.22222222222222 0.44444444444444 0.83333333333333 107.868 > 1 23 Ag 0.55555555555556 0.44444444444444 0.83333333333333 107.868 > 1 24 Ag 0.88888888888889 0.44444444444444 0.83333333333333 107.868 > 1 25 Ag 0.22222222222222 0.77777777777778 0.83333333333333 107.868 > 1 26 Ag 0.55555555555556 0.77777777777778 0.83333333333333 107.868 > 1 27 Ag 0.88888888888889 0.77777777777778 0.83333333333333 107.868 > 1 28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 28 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 28 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 28 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 28 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 28 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 28 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 28 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 28 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 28 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 28 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 28 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 28 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 28 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 28 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 28 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 28 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 28 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 28 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 28 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 28 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 28 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 28 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 28 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 28 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 28 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 28 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 28 55 S 0.00000000000000 0.00000000000000 0.24439206493431 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.24439206493431 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.24439206493431 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.24439206493431 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.24439206493431 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.24439206493431 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.24439206493431 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.24439206493431 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.24439206493431 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.08894126839902 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.08894126839902 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.08894126839902 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.08894126839902 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.08894126839902 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.08894126839902 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.08894126839902 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.08894126839902 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.08894126839902 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.57772539826764 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.57772539826764 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.57772539826764 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.57772539826764 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.57772539826764 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.57772539826764 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.57772539826764 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.57772539826764 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.57772539826764 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.42227460173236 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.42227460173236 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.42227460173236 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.42227460173236 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.42227460173236 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.42227460173236 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.42227460173236 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.42227460173236 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.42227460173236 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.91105873160098 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.91105873160098 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.91105873160098 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.91105873160098 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.91105873160098 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.91105873160098 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.91105873160098 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.91105873160098 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.91105873160098 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.75560793506569 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.75560793506569 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.75560793506569 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.75560793506569 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.75560793506569 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.75560793506569 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.75560793506569 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.75560793506569 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.75560793506569 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 25.8185783 0.0000000 0.0000000 0.0000000 25.8185783 0.0000000 0.0000000 0.0000000 17.8925489 -------------------------- Born effective charges -------------------------- 1 Ag 1.9681909 0.0000000 0.0000000 0.0000000 1.9681909 0.0000000 0.0000000 0.0000000 2.3714210 2 Bi 6.8836318 0.0000000 0.0000000 0.0000000 6.8836318 0.0000000 0.0000000 0.0000000 3.3526612 3 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 4 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 ---------------------------------------------------------------------------- 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[ 55, 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:18:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:18:11]------------------------- Compiled with OpenMP support (max 48 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 1.994155570988034 1.151326255715931 6.142116196666660 b -1.994155570988030 1.151326255715931 6.142116196666660 c 0.000000000000002 -2.302652511431865 6.142116196666660 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 2 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 3 S 0.24439206493431 0.24439206493431 0.24439206493431 32.065 4 S 0.75560793506569 0.75560793506569 0.75560793506569 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.964933425928193 0.000000000000000 0.000000000000000 b -5.982466712964096 10.361936301443389 0.000000000000000 c 0.000000000000000 0.000000000000000 18.426348590000000 Atomic positions (fractional): 1 Ag 0.11111111111111 0.22222222222222 0.16666666666667 107.868 > 1 2 Ag 0.44444444444444 0.22222222222222 0.16666666666667 107.868 > 1 3 Ag 0.77777777777778 0.22222222222222 0.16666666666667 107.868 > 1 4 Ag 0.11111111111111 0.55555555555556 0.16666666666667 107.868 > 1 5 Ag 0.44444444444444 0.55555555555556 0.16666666666667 107.868 > 1 6 Ag 0.77777777777778 0.55555555555556 0.16666666666667 107.868 > 1 7 Ag 0.11111111111111 0.88888888888889 0.16666666666667 107.868 > 1 8 Ag 0.44444444444444 0.88888888888889 0.16666666666667 107.868 > 1 9 Ag 0.77777777777778 0.88888888888889 0.16666666666667 107.868 > 1 10 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 11 Ag 0.33333333333333 0.00000000000000 0.50000000000000 107.868 > 1 12 Ag 0.66666666666667 0.00000000000000 0.50000000000000 107.868 > 1 13 Ag 0.00000000000000 0.33333333333333 0.50000000000000 107.868 > 1 14 Ag 0.33333333333333 0.33333333333333 0.50000000000000 107.868 > 1 15 Ag 0.66666666666667 0.33333333333333 0.50000000000000 107.868 > 1 16 Ag 0.00000000000000 0.66666666666667 0.50000000000000 107.868 > 1 17 Ag 0.33333333333333 0.66666666666667 0.50000000000000 107.868 > 1 18 Ag 0.66666666666667 0.66666666666667 0.50000000000000 107.868 > 1 19 Ag 0.22222222222222 0.11111111111111 0.83333333333333 107.868 > 1 20 Ag 0.55555555555556 0.11111111111111 0.83333333333333 107.868 > 1 21 Ag 0.88888888888889 0.11111111111111 0.83333333333333 107.868 > 1 22 Ag 0.22222222222222 0.44444444444444 0.83333333333333 107.868 > 1 23 Ag 0.55555555555556 0.44444444444444 0.83333333333333 107.868 > 1 24 Ag 0.88888888888889 0.44444444444444 0.83333333333333 107.868 > 1 25 Ag 0.22222222222222 0.77777777777778 0.83333333333333 107.868 > 1 26 Ag 0.55555555555556 0.77777777777778 0.83333333333333 107.868 > 1 27 Ag 0.88888888888889 0.77777777777778 0.83333333333333 107.868 > 1 28 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 28 29 Bi 0.33333333333333 0.00000000000000 0.00000000000000 208.980 > 28 30 Bi 0.66666666666667 0.00000000000000 0.00000000000000 208.980 > 28 31 Bi 0.00000000000000 0.33333333333333 0.00000000000000 208.980 > 28 32 Bi 0.33333333333333 0.33333333333333 0.00000000000000 208.980 > 28 33 Bi 0.66666666666667 0.33333333333333 0.00000000000000 208.980 > 28 34 Bi 0.00000000000000 0.66666666666667 0.00000000000000 208.980 > 28 35 Bi 0.33333333333333 0.66666666666667 0.00000000000000 208.980 > 28 36 Bi 0.66666666666667 0.66666666666667 0.00000000000000 208.980 > 28 37 Bi 0.22222222222222 0.11111111111111 0.33333333333333 208.980 > 28 38 Bi 0.55555555555556 0.11111111111111 0.33333333333333 208.980 > 28 39 Bi 0.88888888888889 0.11111111111111 0.33333333333333 208.980 > 28 40 Bi 0.22222222222222 0.44444444444444 0.33333333333333 208.980 > 28 41 Bi 0.55555555555556 0.44444444444444 0.33333333333333 208.980 > 28 42 Bi 0.88888888888889 0.44444444444444 0.33333333333333 208.980 > 28 43 Bi 0.22222222222222 0.77777777777778 0.33333333333333 208.980 > 28 44 Bi 0.55555555555556 0.77777777777778 0.33333333333333 208.980 > 28 45 Bi 0.88888888888889 0.77777777777778 0.33333333333333 208.980 > 28 46 Bi 0.11111111111111 0.22222222222222 0.66666666666667 208.980 > 28 47 Bi 0.44444444444444 0.22222222222222 0.66666666666667 208.980 > 28 48 Bi 0.77777777777778 0.22222222222222 0.66666666666667 208.980 > 28 49 Bi 0.11111111111111 0.55555555555556 0.66666666666667 208.980 > 28 50 Bi 0.44444444444444 0.55555555555556 0.66666666666667 208.980 > 28 51 Bi 0.77777777777778 0.55555555555556 0.66666666666667 208.980 > 28 52 Bi 0.11111111111111 0.88888888888889 0.66666666666667 208.980 > 28 53 Bi 0.44444444444444 0.88888888888889 0.66666666666667 208.980 > 28 54 Bi 0.77777777777778 0.88888888888889 0.66666666666667 208.980 > 28 55 S 0.00000000000000 0.00000000000000 0.24439206493431 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.24439206493431 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.24439206493431 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.24439206493431 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.24439206493431 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.24439206493431 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.24439206493431 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.24439206493431 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.24439206493431 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.08894126839902 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.08894126839902 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.08894126839902 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.08894126839902 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.08894126839902 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.08894126839902 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.08894126839902 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.08894126839902 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.08894126839902 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.57772539826764 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.57772539826764 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.57772539826764 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.57772539826764 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.57772539826764 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.57772539826764 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.57772539826764 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.57772539826764 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.57772539826764 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.42227460173236 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.42227460173236 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.42227460173236 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.42227460173236 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.42227460173236 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.42227460173236 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.42227460173236 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.42227460173236 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.42227460173236 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.91105873160098 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.91105873160098 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.91105873160098 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.91105873160098 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.91105873160098 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.91105873160098 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.91105873160098 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.91105873160098 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.91105873160098 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.75560793506569 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.75560793506569 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.75560793506569 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.75560793506569 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.75560793506569 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.75560793506569 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.75560793506569 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.75560793506569 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.75560793506569 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 25.8185783 0.0000000 0.0000000 0.0000000 25.8185783 0.0000000 0.0000000 0.0000000 17.8925489 -------------------------- Born effective charges -------------------------- 1 Ag 1.9681909 0.0000000 0.0000000 0.0000000 1.9681909 0.0000000 0.0000000 0.0000000 2.3714210 2 Bi 6.8836318 0.0000000 0.0000000 0.0000000 6.8836318 0.0000000 0.0000000 0.0000000 3.3526612 3 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 4 S -4.4259113 -0.0000000 0.0000000 0.0000000 -4.4259113 0.0000000 0.0000000 0.0000000 -2.8620411 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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: 0.95, Number of G-points: 299, Lambda: 0.47 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: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 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 2.130 ( 0.000 0.000 0.000) 0.000 2.130 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 7.565 ( 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: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 12.477 7.203 -3.231) 14.765 0.430 ( 19.433 11.219 -5.813) 23.180 0.760 ( 31.935 18.438 11.431) 38.606 2.120 ( -0.903 -0.521 0.035) 1.043 2.180 ( -1.499 -0.865 -7.311) 7.513 2.347 ( -0.004 -0.002 10.376) 10.376 3.551 ( -4.403 -2.542 9.161) 10.477 5.401 ( -15.575 -8.992 11.329) 21.255 5.801 ( 5.626 3.248 -63.814) 64.144 5.921 ( -1.821 -1.051 -7.980) 8.252 6.791 ( 8.956 5.171 32.440) 34.049 7.528 ( -3.304 -1.908 -0.117) 3.817 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 13.346 7.705 -3.120) 15.723 0.810 ( 16.718 9.652 -8.129) 20.946 1.491 ( 29.545 17.058 8.940) 35.267 2.084 ( -3.790 -2.188 -6.588) 7.909 2.091 ( -1.603 -0.925 0.241) 1.866 2.421 ( 2.767 1.597 11.348) 11.789 3.442 ( -10.243 -5.914 19.120) 22.483 5.065 ( -15.210 -8.782 13.306) 22.035 5.805 ( 10.581 6.109 -43.754) 45.428 5.853 ( 0.177 0.102 -13.607) 13.609 6.999 ( 0.115 0.066 15.528) 15.528 7.428 ( -5.380 -3.106 2.202) 6.591 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 14.120 8.152 -2.723) 16.530 1.111 ( 13.186 7.613 -9.877) 18.149 1.883 ( 0.149 0.086 -9.601) 9.602 2.056 ( -1.581 -0.913 0.795) 1.991 2.227 ( 21.271 12.281 10.133) 26.570 2.536 ( 3.545 2.047 11.321) 12.039 3.222 ( -17.094 -9.869 27.614) 33.943 4.884 ( -5.454 -3.149 16.920) 18.054 5.868 ( 6.243 3.604 -14.049) 15.790 5.908 ( 8.865 5.118 -29.066) 30.816 6.891 ( -9.688 -5.594 -3.614) 11.757 7.322 ( -6.155 -3.553 6.898) 9.904 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 13.488 7.787 -3.102) 15.880 1.330 ( 9.837 5.680 -10.006) 15.138 1.822 ( -1.289 -0.744 -6.078) 6.258 2.033 ( -0.723 -0.417 1.205) 1.466 2.621 ( 3.708 2.141 7.616) 8.737 2.705 ( 13.528 7.810 6.493) 16.916 2.901 ( -20.687 -11.944 33.136) 40.849 4.944 ( 4.345 2.509 18.761) 19.420 5.811 ( -14.033 -8.102 -22.305) 27.570 6.031 ( 11.715 6.763 -9.749) 16.674 6.757 ( 5.155 2.976 -9.212) 10.968 7.176 ( -8.910 -5.144 4.972) 11.427 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 10.697 6.176 -4.478) 13.138 1.484 ( 7.137 4.121 -8.936) 12.156 1.791 ( -0.198 -0.114 -2.003) 2.016 2.035 ( 0.734 0.424 0.161) 0.863 2.581 ( -18.358 -10.599 35.768) 41.578 2.665 ( -1.335 -0.771 9.685) 9.807 2.949 ( 6.896 3.982 -1.968) 8.203 5.161 ( 3.292 1.901 9.942) 10.644 5.171 ( -26.266 -15.165 -21.354) 37.093 6.288 ( 12.927 7.463 -4.730) 15.658 6.936 ( -5.893 -3.402 3.894) 7.840 7.063 ( 12.984 7.496 -3.534) 15.403 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 6.530 3.770 -4.637) 8.852 1.579 ( 3.601 2.079 -6.627) 7.824 1.805 ( 1.818 1.049 1.410) 2.528 2.059 ( 1.545 0.892 -3.137) 3.609 2.367 ( -11.644 -6.722 31.949) 34.662 2.653 ( -2.409 -1.391 9.614) 10.008 2.990 ( -2.281 -1.317 -7.470) 7.921 4.380 ( -27.694 -15.989 -22.097) 38.870 5.390 ( 7.840 4.527 6.550) 11.174 6.537 ( 9.737 5.622 -1.547) 11.349 6.731 ( -9.470 -5.467 1.807) 11.083 7.430 ( 15.146 8.744 1.528) 17.555 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.305 0.176 -2.170) 2.199 1.655 ( 2.174 1.255 -2.040) 3.235 1.875 ( 2.805 1.619 1.508) 3.572 2.071 ( 0.446 0.257 -2.201) 2.260 2.286 ( -3.504 -2.023 13.392) 13.989 2.654 ( 0.202 0.116 9.018) 9.021 2.805 ( -8.345 -4.818 -11.414) 14.938 3.917 ( -8.194 -4.731 -7.677) 12.184 5.537 ( 3.420 1.974 1.745) 4.317 6.574 ( -4.184 -2.415 0.556) 4.863 6.687 ( 3.588 2.071 -0.269) 4.152 7.677 ( 5.773 3.333 1.190) 6.771 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 14.137 10.460) 17.586 0.482 ( -0.000 23.858 0.662) 23.867 0.738 ( -0.000 34.043 9.863) 35.443 2.112 ( -0.000 -1.250 -1.427) 1.897 2.201 ( -0.000 2.441 -5.790) 6.283 2.333 ( 0.000 -5.658 10.132) 11.604 3.397 ( -0.000 -11.018 -18.876) 21.856 5.206 ( -0.000 -9.081 -24.055) 25.712 6.017 ( 0.000 1.781 9.439) 9.606 6.083 ( -0.000 20.371 -29.575) 35.912 6.616 ( 0.000 -4.343 20.322) 20.781 7.526 ( 0.000 -3.858 -0.385) 3.877 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 1.011 14.041 7.189) 15.807 0.775 ( 6.510 22.470 -5.024) 23.927 1.302 ( 20.843 26.714 10.412) 35.446 2.089 ( -1.182 -1.803 -2.651) 3.417 2.129 ( -4.987 -0.160 -6.476) 8.176 2.353 ( 4.497 -6.265 12.183) 14.419 3.406 ( 15.184 -11.604 -8.209) 20.799 5.112 ( 11.725 -19.854 -15.796) 27.950 5.586 ( -34.987 5.662 7.084) 36.143 6.120 ( -5.778 20.146 -25.069) 32.676 6.933 ( 14.687 -3.667 13.409) 20.223 7.455 ( -2.520 -5.649 0.568) 6.212 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 8.021 11.118 3.059) 14.046 1.063 ( 6.310 19.169 -8.084) 21.740 1.832 ( 6.308 9.033 -5.819) 12.460 2.030 ( 5.568 0.739 0.546) 5.643 2.130 ( 4.912 7.181 6.218) 10.694 2.439 ( 7.457 -6.054 12.483) 15.751 3.497 ( 0.223 -1.094 9.804) 9.867 5.092 ( 6.592 -12.331 -5.087) 14.879 5.232 ( -3.693 -5.603 -1.650) 6.911 6.119 ( -6.392 16.472 -19.182) 26.079 6.989 ( -5.258 -3.322 -2.826) 6.831 7.369 ( -2.083 -6.424 5.915) 8.978 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 11.109 8.171 0.087) 13.791 1.290 ( 4.846 14.687 -8.602) 17.697 1.793 ( -0.878 -2.692 -7.151) 7.692 2.075 ( -0.792 3.616 -0.951) 3.822 2.457 ( 10.708 -1.498 8.639) 13.839 2.622 ( 11.312 7.162 10.552) 17.047 3.430 ( -18.665 8.790 21.333) 29.678 5.040 ( -4.541 3.911 14.227) 15.438 5.397 ( 32.610 -15.421 -15.700) 39.341 6.003 ( -12.667 -2.110 -14.615) 19.455 6.827 ( -6.525 5.975 -9.938) 13.306 7.266 ( -5.816 -6.510 5.081) 10.100 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 11.166 5.138 -2.855) 12.619 1.451 ( 3.837 9.962 -7.216) 12.886 1.755 ( 1.318 -2.408 -2.818) 3.934 2.093 ( -1.883 5.057 -0.594) 5.429 2.561 ( 4.598 -5.830 10.742) 13.058 2.862 ( 3.869 5.342 3.478) 7.456 3.261 ( -24.352 17.804 23.272) 38.100 5.130 ( 4.798 2.100 9.469) 10.821 5.407 ( -25.998 -15.067 -22.559) 37.574 5.890 ( 30.016 -7.457 -3.827) 31.164 6.893 ( 5.352 5.562 -0.101) 7.720 7.106 ( -7.004 -0.279 -0.988) 7.079 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 9.070 2.336 -5.549) 10.886 1.564 ( 2.952 6.002 -4.522) 8.073 1.767 ( 2.429 -0.965 1.481) 3.003 2.099 ( -1.965 2.991 -0.392) 3.600 2.602 ( -1.187 0.497 11.597) 11.668 2.878 ( -8.206 5.395 5.425) 11.220 3.156 ( -18.660 18.349 13.570) 29.479 4.600 ( -30.451 -21.948 -23.317) 44.189 5.315 ( 7.821 3.412 3.628) 9.272 6.316 ( 21.658 1.892 -1.154) 21.771 6.809 ( -7.341 -10.687 3.306) 13.380 7.260 ( 12.974 9.496 0.098) 16.078 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 5.683 -0.353 -6.842) 8.901 1.633 ( 1.602 2.595 -0.423) 3.078 1.826 ( 2.769 1.299 3.350) 4.536 2.085 ( -1.601 0.968 -0.347) 1.903 2.629 ( -4.043 7.995 8.663) 12.462 2.787 ( -10.378 7.141 -1.403) 12.676 3.008 ( -23.876 14.746 9.618) 29.665 3.962 ( -12.847 -13.473 -13.064) 22.743 5.474 ( 6.712 1.732 -0.268) 6.937 6.583 ( 1.422 -4.591 4.257) 6.420 6.627 ( 2.950 -0.425 -4.198) 5.149 7.538 ( 12.039 0.175 2.032) 12.211 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 3.579 -1.493 -4.149) 5.679 1.661 ( -0.102 -0.492 1.644) 1.719 1.859 ( -1.545 -0.140 0.092) 1.554 2.068 ( -0.757 0.694 -1.842) 2.109 2.653 ( -5.760 0.336 -6.229) 8.491 2.731 ( -9.326 28.143 0.008) 29.648 2.835 ( -12.813 13.633 14.720) 23.806 3.824 ( 6.076 -3.081 2.286) 7.186 5.540 ( 0.522 -0.996 -2.255) 2.520 6.496 ( 2.346 -5.946 -1.426) 6.549 6.714 ( 0.028 1.363 -0.700) 1.533 7.639 ( 3.420 -7.461 -0.420) 8.218 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.189 -3.527 3.900) 5.262 1.627 ( -0.931 -2.521 -0.647) 2.764 1.794 ( -3.332 -1.433 -2.274) 4.282 2.068 ( 1.069 1.110 -3.772) 4.075 2.558 ( -9.297 9.341 -4.309) 13.866 2.732 ( -16.210 30.229 -7.371) 35.084 3.019 ( 4.546 9.356 7.728) 12.958 4.131 ( 24.751 7.918 17.860) 31.532 5.448 ( -6.638 -3.789 -5.144) 9.213 6.525 ( 4.790 -6.238 -6.457) 10.176 6.664 ( -1.720 -1.884 2.704) 3.717 7.514 ( -6.245 -10.801 -2.316) 12.689 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -7.235 -7.688 5.687) 11.991 1.609 ( -3.154 -0.642 3.650) 4.867 1.746 ( 1.870 -2.581 -2.500) 4.051 2.092 ( 1.053 1.527 -2.158) 2.846 2.486 ( -8.274 11.483 -8.088) 16.301 2.770 ( -6.891 24.465 -12.278) 28.227 3.095 ( -6.605 8.658 -0.098) 10.890 4.858 ( 34.969 14.306 23.675) 44.587 5.236 ( -9.937 -2.932 -10.636) 14.849 6.322 ( -8.889 -18.890 -0.230) 20.878 6.773 ( 11.473 -1.258 -3.083) 11.947 7.261 ( -12.038 -5.059 0.257) 13.061 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -10.836 -8.727 4.364) 14.582 1.526 ( -8.283 0.311 6.268) 10.391 1.779 ( 4.744 -2.547 1.532) 5.598 2.101 ( -2.974 4.122 0.664) 5.127 2.443 ( -0.333 -0.128 -10.211) 10.217 2.812 ( -7.652 4.794 -6.054) 10.871 3.052 ( -9.952 27.532 -14.868) 32.835 4.970 ( -8.502 -1.090 -19.311) 21.128 5.649 ( 26.566 13.146 21.532) 36.636 5.952 ( -5.084 -31.058 6.952) 32.230 6.882 ( 2.852 -2.830 -1.738) 4.377 7.122 ( -2.998 6.501 1.645) 7.345 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -13.176 -7.986 3.143) 15.724 1.380 ( -13.630 1.615 7.564) 15.672 1.864 ( 5.906 -0.790 5.641) 8.206 2.089 ( -3.613 4.677 1.696) 6.149 2.365 ( -1.723 -9.378 -8.062) 12.486 2.504 ( -18.966 -6.718 -10.520) 22.705 3.215 ( -0.981 29.613 -18.312) 34.831 4.838 ( -0.784 8.184 -21.018) 22.569 5.596 ( 0.945 -36.761 18.909) 41.350 6.154 ( 10.033 7.276 12.684) 17.734 6.913 ( 0.104 7.342 6.015) 9.493 7.210 ( 5.860 2.527 -5.064) 8.146 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -13.820 -5.576 2.126) 15.053 1.145 ( -19.511 1.757 6.213) 20.551 1.858 ( -28.414 -6.051 -0.967) 29.068 2.038 ( 4.566 -1.129 1.886) 5.068 2.102 ( -0.937 3.693 1.496) 4.093 2.303 ( 1.804 -8.928 -11.883) 14.972 3.377 ( 1.069 14.011 -12.214) 18.618 4.966 ( 7.770 18.541 -17.267) 26.500 5.420 ( 10.722 -33.718 21.923) 41.623 6.307 ( -3.795 8.858 13.879) 16.896 6.975 ( -3.176 2.498 -4.635) 6.149 7.323 ( 8.116 0.762 -2.405) 8.499 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -13.621 0.000 0.000) 13.621 0.810 ( -22.925 0.000 0.000) 22.925 1.239 ( -35.940 0.000 0.000) 35.940 2.100 ( 1.577 -0.000 -0.000) 1.577 2.216 ( -0.202 0.000 0.000) 0.202 2.237 ( 6.593 -0.000 -0.000) 6.593 3.451 ( 3.934 -0.000 -0.000) 3.934 5.218 ( 11.116 -0.000 -0.000) 11.116 5.520 ( 17.755 -0.000 -0.000) 17.755 6.308 ( -8.527 0.000 0.000) 8.527 6.821 ( -10.627 0.000 0.000) 10.627 7.454 ( 6.575 -0.000 -0.000) 6.575 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.000 15.500 10.800) 18.892 0.917 ( -0.000 21.309 -1.308) 21.349 1.446 ( -0.000 32.128 8.118) 33.138 2.070 ( -0.000 -1.620 -1.461) 2.181 2.173 ( -0.000 -0.543 -10.478) 10.492 2.302 ( 0.000 -5.113 12.454) 13.463 2.953 ( -0.000 -16.429 -24.685) 29.652 4.801 ( -0.000 -19.122 -10.015) 21.586 6.133 ( 0.000 1.726 11.112) 11.245 6.245 ( -0.000 17.198 -27.236) 32.211 6.707 ( 0.000 0.540 14.494) 14.504 7.413 ( 0.000 -7.573 -0.371) 7.582 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -3.591 16.028 9.927) 19.192 1.152 ( 3.690 19.559 -4.983) 20.519 1.857 ( 5.493 20.766 0.161) 21.481 1.986 ( -3.621 -3.134 -5.706) 7.449 2.131 ( 5.568 5.536 2.529) 8.249 2.324 ( 3.315 -5.884 11.871) 13.658 3.078 ( 33.261 -11.664 -14.141) 37.978 4.611 ( 5.188 -20.152 -13.162) 24.622 5.815 ( -31.576 8.505 10.608) 34.379 6.280 ( -4.160 10.684 -13.710) 17.873 6.929 ( 8.806 -0.845 0.671) 8.872 7.322 ( -0.348 -9.042 2.162) 9.304 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.324 14.071 6.353) 15.442 1.347 ( 2.376 14.396 -6.670) 16.043 1.766 ( -3.417 -4.353 -7.409) 9.247 2.099 ( 2.756 7.188 -4.638) 8.987 2.349 ( 4.601 -2.608 10.092) 11.394 2.531 ( 14.979 13.570 8.743) 22.022 3.535 ( 23.912 1.546 4.341) 24.352 4.550 ( 21.300 -20.078 -19.446) 35.142 5.487 ( -22.629 9.995 14.365) 28.606 6.172 ( -12.827 0.098 -7.310) 14.764 6.917 ( -3.877 0.989 -8.648) 9.529 7.264 ( 0.193 -7.420 3.597) 8.249 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 3.615 10.699 2.013) 11.471 1.468 ( 2.197 8.287 -5.778) 10.338 1.697 ( 1.138 -2.629 -2.733) 3.959 2.155 ( -0.936 3.329 -1.109) 3.631 2.460 ( 7.564 -0.120 4.092) 8.601 2.859 ( 6.652 10.082 2.752) 12.389 3.789 ( -6.248 15.591 12.073) 20.685 4.844 ( 34.509 -14.134 -17.742) 41.297 5.361 ( -3.715 -1.253 2.759) 4.795 5.791 ( -22.545 -3.142 1.641) 22.822 6.873 ( 0.134 -2.247 1.241) 2.570 7.192 ( -3.274 0.282 -2.942) 4.411 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 4.645 6.559 -2.293) 8.358 1.554 ( 2.956 4.321 -2.687) 5.884 1.723 ( 3.021 1.058 1.142) 3.399 2.142 ( -1.605 -0.673 1.497) 2.296 2.603 ( 5.626 3.282 1.771) 6.749 2.978 ( -1.116 6.685 -2.735) 7.309 3.814 ( -17.923 25.237 11.859) 33.148 4.746 ( -20.506 -26.775 -22.297) 40.430 5.243 ( 4.315 2.153 -8.528) 9.798 5.917 ( 23.738 5.738 13.261) 27.790 6.792 ( -3.328 -14.181 7.745) 16.498 7.218 ( 3.071 8.317 -3.338) 9.473 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 4.065 2.229 -5.751) 7.387 1.630 ( 2.200 2.474 1.750) 3.745 1.816 ( 3.469 4.679 2.565) 6.365 2.113 ( -1.322 -1.112 1.680) 2.409 2.704 ( 1.504 2.888 3.857) 5.048 2.942 ( -7.278 4.088 -9.863) 12.921 3.780 ( -22.874 30.120 9.565) 39.011 4.029 ( -21.868 -18.185 -15.385) 32.336 5.357 ( 7.453 2.836 -5.440) 9.653 6.403 ( 20.458 5.370 4.250) 21.574 6.588 ( -5.556 -14.896 4.896) 16.635 7.366 ( 7.927 0.294 1.929) 8.163 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.453 -0.276 -6.902) 7.722 1.677 ( -0.064 0.681 3.831) 3.892 1.910 ( -0.409 4.845 0.944) 4.953 2.088 ( -1.279 -0.417 0.474) 1.426 2.723 ( -5.894 0.110 -4.564) 7.456 2.815 ( 0.227 5.387 0.432) 5.409 3.680 ( 2.676 -8.201 -3.286) 9.231 3.735 ( -31.066 40.818 8.958) 52.072 5.478 ( 5.681 1.911 -5.880) 8.396 6.390 ( -1.846 -13.663 1.206) 13.840 6.687 ( 6.817 3.626 0.378) 7.731 7.457 ( 6.811 -9.612 1.628) 11.892 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 4.214 -1.315 -5.681) 7.195 1.657 ( -3.348 -1.979 3.911) 5.516 1.878 ( -5.746 1.726 -1.470) 6.177 2.069 ( -0.928 0.547 -1.091) 1.533 2.624 ( -3.051 2.760 -7.364) 8.435 3.028 ( 8.204 8.514 11.068) 16.195 3.649 ( -33.259 48.624 2.710) 58.973 3.838 ( 20.731 -0.108 11.056) 23.496 5.499 ( -3.011 0.272 -4.788) 5.662 6.305 ( 7.102 -10.685 -6.314) 14.300 6.696 ( -4.713 -5.988 1.510) 7.769 7.421 ( 2.326 -12.163 -1.472) 12.471 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.416 -4.204 1.868) 4.619 1.571 ( -1.991 -1.859 -1.311) 3.023 1.779 ( -6.106 -0.041 -0.585) 6.134 2.067 ( 0.778 0.883 -2.026) 2.343 2.598 ( -1.709 3.590 -6.183) 7.352 3.162 ( -4.891 4.524 9.197) 11.356 3.601 ( -28.804 49.898 -4.004) 57.754 4.453 ( 36.372 9.049 20.990) 42.958 5.360 ( -9.894 0.630 -7.143) 12.219 6.256 ( -4.329 -16.125 -9.596) 19.257 6.528 ( 6.059 -15.298 1.679) 16.540 7.328 ( -2.154 -4.618 -1.455) 5.300 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -9.873 -4.977 3.689) 11.656 1.600 ( 2.522 -1.590 0.296) 2.996 1.692 ( -1.827 -1.169 -1.153) 2.456 2.096 ( 2.391 0.754 -1.804) 3.089 2.562 ( -5.250 2.953 -3.050) 6.752 3.063 ( -13.660 3.431 5.245) 15.030 3.606 ( -22.988 43.276 -6.135) 49.385 5.017 ( 1.425 0.020 -8.546) 8.664 5.371 ( 22.002 13.026 7.996) 26.790 5.803 ( -12.309 -34.385 6.622) 37.117 6.628 ( 15.457 -7.937 -5.824) 18.326 7.266 ( -4.009 2.663 1.025) 4.920 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -12.731 -3.558 1.907) 13.356 1.560 ( -5.657 0.059 2.013) 6.005 1.736 ( 7.414 -1.712 0.046) 7.609 2.141 ( 2.467 0.744 -0.891) 2.726 2.438 ( -11.362 1.445 -0.219) 11.456 2.800 ( -21.068 -0.734 -0.846) 21.098 3.593 ( -16.738 25.750 -5.649) 31.227 4.916 ( -5.139 15.049 -24.354) 29.086 5.312 ( -4.130 -39.230 17.808) 43.280 5.961 ( 22.332 5.921 9.013) 24.799 6.815 ( 14.356 -1.944 -2.319) 14.671 7.242 ( -3.590 3.516 0.904) 5.105 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -14.167 0.000 0.000) 14.167 1.431 ( -11.449 0.000 0.000) 11.449 1.876 ( 9.831 -0.000 -0.000) 9.831 2.184 ( 1.583 -0.000 -0.000) 1.583 2.241 ( -10.569 0.000 0.000) 10.569 2.355 ( -28.913 0.000 0.000) 28.913 3.498 ( -7.690 0.000 0.000) 7.690 5.015 ( 0.798 -0.000 -0.000) 0.798 5.070 ( 6.166 -0.000 -0.000) 6.166 6.281 ( 11.219 -0.000 -0.000) 11.219 7.010 ( 6.466 -0.000 -0.000) 6.466 7.217 ( 0.668 -0.000 -0.000) 0.668 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 16.173 10.283) 19.165 1.280 ( -0.000 17.839 -3.088) 18.104 2.006 ( -0.000 -1.844 -8.079) 8.286 2.044 ( -0.000 -0.482 -0.667) 0.823 2.084 ( -0.000 20.366 1.990) 20.463 2.326 ( 0.000 0.742 9.450) 9.479 2.508 ( -0.000 -12.529 -10.986) 16.664 4.355 ( -0.000 -17.488 -13.126) 21.866 6.222 ( 0.000 0.497 6.500) 6.519 6.338 ( -0.000 7.923 -15.376) 17.297 6.844 ( 0.000 5.682 6.634) 8.735 7.232 ( 0.000 -10.910 0.326) 10.915 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -4.966 15.439 8.453) 18.289 1.434 ( 0.241 12.905 -5.151) 13.897 1.774 ( -7.338 -6.674 -8.676) 13.178 2.100 ( 4.230 6.568 -5.402) 9.498 2.260 ( 3.582 -7.643 5.951) 10.327 2.515 ( 9.329 21.879 6.782) 24.733 2.865 ( 42.342 -2.695 4.413) 42.656 4.170 ( 2.864 -13.764 -16.048) 21.335 5.986 ( -22.381 2.977 0.260) 22.579 6.341 ( -5.412 1.708 -0.359) 5.686 6.936 ( -0.952 2.033 -3.918) 4.515 7.156 ( 3.851 -8.342 2.601) 9.549 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -4.409 13.726 5.630) 15.477 1.485 ( 0.060 3.433 -6.840) 7.654 1.660 ( 0.130 -0.552 -1.676) 1.770 2.185 ( -0.546 1.452 -0.780) 1.736 2.310 ( 10.374 -2.415 -2.182) 10.873 2.863 ( 7.744 15.070 1.146) 16.982 3.705 ( 43.044 9.663 14.449) 46.422 4.107 ( 13.284 -10.032 -19.463) 25.611 5.594 ( -23.022 -5.030 -6.901) 24.555 6.179 ( -16.823 3.492 8.287) 19.076 6.852 ( -2.818 -7.177 2.564) 8.125 7.189 ( 2.605 1.163 -3.543) 4.549 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.718 5.846 -1.185) 6.208 1.527 ( 3.008 3.740 0.197) 4.804 1.708 ( 2.432 4.331 1.206) 5.111 2.155 ( -1.227 -2.969 2.518) 4.082 2.481 ( 10.996 0.984 -5.222) 12.213 3.053 ( 0.806 9.997 -3.022) 10.475 4.137 ( 5.760 11.723 -10.379) 16.684 4.510 ( 21.474 -5.335 -4.643) 22.609 5.110 ( -8.902 -10.700 -11.108) 17.808 6.020 ( -11.983 10.298 15.588) 22.196 6.731 ( -2.733 -13.697 9.185) 16.717 7.239 ( 1.513 5.169 -3.923) 6.663 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.371 1.318 -4.012) 4.440 1.625 ( 2.418 3.962 3.665) 5.914 1.821 ( 3.630 6.751 2.310) 8.005 2.121 ( -0.753 -2.143 2.207) 3.167 2.643 ( 8.873 0.399 -1.428) 8.996 3.062 ( -5.916 4.749 -8.263) 11.217 4.049 ( -19.438 -25.742 -22.862) 39.537 4.357 ( -4.410 27.559 -7.002) 28.774 5.271 ( 9.306 5.508 -0.463) 10.823 6.171 ( 12.824 7.991 12.945) 19.897 6.555 ( -5.515 -15.375 9.923) 19.112 7.298 ( 2.105 0.897 0.246) 2.301 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.893 0.051 -5.780) 6.082 1.696 ( 0.843 1.838 4.139) 4.606 1.956 ( 2.520 7.004 2.372) 7.813 2.100 ( -0.863 -1.172 0.856) 1.688 2.767 ( 3.613 1.846 2.139) 4.587 2.886 ( -9.085 -2.456 -9.981) 13.718 3.546 ( -4.838 -13.767 -10.373) 17.904 4.529 ( -11.473 36.745 -6.412) 39.025 5.394 ( 3.092 5.099 -2.802) 6.589 6.333 ( -6.906 -15.466 8.733) 19.057 6.541 ( 15.729 4.577 4.245) 16.923 7.300 ( 1.423 -8.341 2.364) 8.786 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.592 -0.521 -6.190) 6.731 1.708 ( -2.164 -0.319 3.430) 4.068 1.987 ( -5.134 2.535 -1.371) 5.888 2.085 ( -0.415 0.076 0.452) 0.618 2.695 ( -4.876 2.428 -6.342) 8.360 2.970 ( 10.946 5.331 10.156) 15.855 3.527 ( 14.677 -5.950 1.053) 15.873 4.616 ( -23.130 44.889 -3.005) 50.587 5.493 ( 4.235 4.795 -6.461) 9.092 6.112 ( -2.927 -16.258 4.685) 17.171 6.699 ( -0.923 -4.914 -0.228) 5.005 7.234 ( 4.370 -12.092 1.014) 12.897 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.669 -1.034 -3.896) 5.451 1.646 ( -5.196 -1.391 2.380) 5.882 1.891 ( -6.901 0.638 -0.811) 6.978 2.070 ( -0.909 0.031 -0.572) 1.074 2.643 ( -2.790 3.305 -4.900) 6.536 3.217 ( 5.199 3.766 6.541) 9.165 3.965 ( 35.051 2.844 13.380) 37.626 4.615 ( -29.638 47.864 0.520) 56.299 5.514 ( -6.769 5.282 -4.258) 9.584 6.018 ( 9.862 -12.776 -7.452) 17.776 6.396 ( -13.613 -26.321 1.289) 29.661 7.254 ( 5.273 -3.529 -0.696) 6.382 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.585 -1.890 0.081) 1.981 1.543 ( -4.070 -0.665 -0.119) 4.126 1.774 ( -6.713 -0.094 -0.163) 6.716 2.068 ( 0.943 0.177 -0.541) 1.102 2.620 ( -1.684 1.732 -2.537) 3.503 3.257 ( -4.745 1.280 2.933) 5.723 4.499 ( -26.837 35.585 3.547) 44.712 4.699 ( 28.367 4.406 9.682) 30.296 5.406 ( -7.420 10.674 -11.761) 17.531 5.747 ( -17.573 -31.040 3.069) 35.801 6.225 ( 18.832 -10.379 -3.191) 21.738 7.297 ( 1.659 0.232 -0.193) 1.686 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -10.724 0.000 0.000) 10.724 1.580 ( 4.577 -0.000 -0.000) 4.577 1.679 ( -3.815 0.000 0.000) 3.815 2.097 ( 2.391 -0.000 -0.000) 2.391 2.579 ( -4.557 0.000 0.000) 4.557 3.109 ( -14.290 0.000 0.000) 14.290 4.160 ( -32.172 0.000 0.000) 32.172 5.045 ( 4.959 -0.000 -0.000) 4.959 5.221 ( -15.017 0.000 0.000) 15.017 5.624 ( 21.026 -0.000 -0.000) 21.026 6.501 ( 19.280 -0.000 -0.000) 19.280 7.304 ( -1.361 0.000 0.000) 1.361 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.000 11.309 3.675) 11.891 1.556 ( -0.000 13.171 -5.186) 14.155 1.772 ( -0.000 -8.671 -12.473) 15.191 1.952 ( -0.000 -5.909 -6.730) 8.956 2.257 ( 0.000 -2.182 4.324) 4.844 2.525 ( 0.000 9.696 26.957) 28.648 2.675 ( -0.000 21.964 4.222) 22.366 3.977 ( -0.000 -8.503 -18.589) 20.441 6.234 ( -0.000 -1.373 -1.410) 1.968 6.310 ( -0.000 -3.470 -5.360) 6.385 6.957 ( 0.000 -6.522 -1.890) 6.791 7.072 ( 0.000 3.463 4.534) 5.705 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -2.772 -0.901 -8.591) 9.072 1.546 ( -4.679 9.396 -0.833) 10.530 1.677 ( -1.147 3.819 0.374) 4.005 2.033 ( 13.884 -6.341 -7.298) 16.918 2.208 ( -2.128 -1.273 1.625) 2.964 2.901 ( 6.264 15.126 2.415) 16.549 3.135 ( 33.919 14.303 29.022) 46.876 3.896 ( 4.446 0.596 -19.662) 20.167 5.903 ( -23.172 -6.982 -9.277) 25.918 6.341 ( 0.780 -4.256 3.187) 5.374 6.837 ( -1.939 -10.183 0.669) 10.387 7.171 ( 1.206 7.962 0.692) 8.083 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.535 -4.826 -8.335) 9.646 1.626 ( -2.727 11.990 5.879) 13.629 1.724 ( 1.679 4.558 1.049) 4.970 2.129 ( 3.228 -6.356 2.802) 7.660 2.237 ( 10.818 -0.677 -10.256) 14.923 3.105 ( 3.488 9.318 -2.823) 10.342 3.818 ( 20.151 -0.509 -9.858) 22.439 4.181 ( 29.027 20.447 12.356) 37.594 5.317 ( -28.985 -11.762 -14.318) 34.402 6.273 ( -4.939 -4.936 7.729) 10.416 6.718 ( -3.819 -6.728 4.765) 9.086 7.255 ( 0.532 6.301 -0.425) 6.338 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.829 -3.449 -4.730) 6.502 1.696 ( -2.421 7.361 5.203) 9.334 1.839 ( 3.629 7.667 2.938) 8.976 2.114 ( 0.089 -2.513 2.413) 3.485 2.408 ( 14.814 -3.075 -7.732) 16.991 3.148 ( -3.056 1.457 -7.868) 8.566 3.915 ( 0.730 -7.972 -23.137) 24.483 4.670 ( -15.644 13.276 -13.052) 24.318 5.028 ( 26.080 4.858 12.891) 29.494 6.188 ( -0.599 -5.914 9.869) 11.521 6.603 ( -7.444 -2.667 7.029) 10.579 7.300 ( -0.618 2.159 1.385) 2.639 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.021 -1.951 -4.111) 5.462 1.733 ( -1.215 3.543 3.629) 5.215 1.985 ( 3.143 7.196 3.745) 8.700 2.105 ( -0.397 -0.708 1.089) 1.358 2.616 ( 14.622 -0.959 -2.661) 14.893 2.953 ( -9.763 -9.611 -13.254) 19.062 3.551 ( -14.623 -9.425 -12.406) 21.367 4.740 ( 7.089 22.384 -20.587) 31.227 5.438 ( 6.173 5.556 10.946) 13.740 6.272 ( 11.293 -7.403 10.609) 17.172 6.477 ( -8.049 3.272 5.470) 10.267 7.265 ( -3.506 -4.850 2.608) 6.528 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.998 -1.199 -4.992) 5.509 1.746 ( -1.235 0.749 2.298) 2.714 2.075 ( -3.228 0.380 -0.956) 3.387 2.089 ( 1.068 2.614 2.384) 3.695 2.721 ( 0.365 -3.683 -7.037) 7.951 2.855 ( 11.503 2.019 5.209) 12.788 3.313 ( -0.781 -5.666 -5.666) 8.051 5.039 ( 8.815 25.473 -22.934) 35.391 5.513 ( -2.545 2.079 10.669) 11.164 6.197 ( -14.169 -3.038 11.330) 18.394 6.598 ( 9.292 -1.396 -0.724) 9.424 7.114 ( -4.138 -10.725 2.088) 11.684 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 2.988 -0.511 -2.806) 4.131 1.717 ( -3.312 -0.291 1.173) 3.526 2.001 ( -5.354 0.412 -0.569) 5.400 2.091 ( -1.810 0.026 0.153) 1.817 2.715 ( -2.879 2.046 -2.453) 4.300 3.120 ( 12.232 2.718 5.891) 13.846 3.454 ( 26.433 -2.431 1.013) 26.564 5.318 ( -2.271 31.539 -17.670) 36.223 5.551 ( 6.422 -3.161 7.656) 10.481 5.930 ( -18.781 -2.485 9.633) 21.253 6.432 ( -15.831 -17.983 -3.709) 24.244 7.101 ( 8.575 -2.479 0.585) 8.945 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 3.460 -0.000 -0.000) 3.460 1.641 ( -5.704 0.000 0.000) 5.704 1.895 ( -7.329 0.000 0.000) 7.329 2.066 ( -0.760 0.000 0.000) 0.760 2.661 ( -3.066 0.000 0.000) 3.066 3.273 ( 3.940 -0.000 -0.000) 3.940 4.057 ( 40.323 -0.000 -0.000) 40.323 5.274 ( -24.339 0.000 0.000) 24.339 5.604 ( -14.457 0.000 0.000) 14.457 5.802 ( 16.336 -0.000 -0.000) 16.336 5.945 ( -19.771 0.000 0.000) 19.771 7.228 ( 6.428 -0.000 -0.000) 6.428 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 -7.474 -19.330) 20.725 1.555 ( -0.000 2.286 -3.585) 4.251 1.761 ( -0.000 6.170 0.200) 6.173 1.853 ( 0.000 -0.665 2.155) 2.255 2.216 ( 0.000 -4.099 2.941) 5.045 3.047 ( -0.000 13.692 0.808) 13.716 3.115 ( 0.000 21.256 42.805) 47.792 3.823 ( -0.000 9.423 -21.971) 23.906 6.119 ( 0.000 -14.602 0.697) 14.619 6.142 ( -0.000 -3.826 -10.429) 11.109 6.717 ( 0.000 -12.546 -1.614) 12.649 7.282 ( -0.000 10.964 3.183) 11.416 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.865 -6.678 -13.208) 14.917 1.656 ( 9.402 1.505 -4.779) 10.654 1.796 ( -1.504 4.604 1.823) 5.175 1.926 ( 6.380 -0.428 1.072) 6.483 2.173 ( -1.082 -2.754 1.046) 3.138 3.130 ( -0.329 7.188 0.341) 7.204 3.643 ( 12.400 16.118 20.487) 28.866 4.001 ( 16.636 20.881 -5.144) 27.189 5.636 ( -26.359 -11.979 -10.948) 30.955 6.179 ( 4.574 -14.481 2.250) 15.351 6.651 ( 4.698 -7.323 -3.249) 9.288 7.369 ( -2.866 9.561 3.298) 10.512 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.205 -5.012 -7.508) 9.579 1.796 ( 1.562 2.540 0.577) 3.037 1.870 ( 5.515 7.456 3.881) 10.054 2.036 ( 8.131 -2.820 -0.170) 8.607 2.155 ( 2.883 -1.762 -3.741) 5.041 3.143 ( -2.041 -1.148 -5.659) 6.125 3.863 ( -0.375 12.514 -11.616) 17.079 4.678 ( 29.659 13.308 18.589) 37.447 5.038 ( -24.974 -1.643 -13.863) 28.611 6.077 ( 2.100 -18.568 7.791) 20.245 6.665 ( 2.019 -1.147 -3.229) 3.977 7.396 ( -4.638 6.058 3.992) 8.611 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 5.399 -2.951 -3.831) 7.248 1.816 ( -1.943 2.700 2.164) 3.968 2.038 ( 1.297 7.893 6.372) 10.226 2.104 ( 1.101 -0.100 1.749) 2.069 2.286 ( 18.551 -2.822 -7.135) 20.075 2.951 ( -9.934 -11.055 -12.231) 19.248 3.740 ( -16.389 1.187 -9.444) 18.953 4.755 ( 1.234 7.624 -11.876) 14.166 5.334 ( 17.092 12.215 10.518) 23.495 6.024 ( 10.042 -14.027 9.498) 19.693 6.650 ( -3.860 2.445 -1.645) 4.856 7.348 ( -7.276 0.727 3.938) 8.305 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 3.703 -1.426 -2.402) 4.639 1.798 ( -3.104 1.254 1.199) 3.556 2.093 ( -1.009 0.119 1.518) 1.827 2.136 ( -0.121 3.613 1.876) 4.073 2.585 ( 15.789 1.255 -6.602) 17.159 2.649 ( -0.524 -9.938 -2.819) 10.343 3.433 ( -15.707 -0.588 -2.960) 15.995 4.938 ( 11.551 10.121 -11.731) 19.326 5.547 ( 2.238 -1.374 7.329) 7.785 6.253 ( 17.656 -0.815 6.580) 18.860 6.565 ( -8.910 2.704 -1.426) 9.420 7.186 ( -11.160 -3.792 2.152) 11.981 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 2.454 -0.000 -0.000) 2.454 1.761 ( -2.115 0.000 0.000) 2.115 2.064 ( -2.425 0.000 0.000) 2.425 2.131 ( -2.348 0.000 0.000) 2.348 2.657 ( 9.515 -0.000 -0.000) 9.515 2.910 ( 16.645 -0.000 -0.000) 16.645 3.230 ( -4.111 0.000 0.000) 4.111 5.197 ( 15.587 -0.000 -0.000) 15.587 5.555 ( -1.225 0.000 0.000) 1.225 6.337 ( -18.530 0.000 0.000) 18.530 6.485 ( 2.214 -0.000 -0.000) 2.214 7.007 ( -3.141 0.000 0.000) 3.141 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 -7.378 -16.084) 17.695 1.514 ( -0.000 -2.084 -3.048) 3.693 1.827 ( -0.000 0.903 -0.281) 0.946 1.920 ( 0.000 3.246 3.863) 5.045 2.160 ( 0.000 -3.270 2.206) 3.945 3.228 ( -0.000 6.596 -1.218) 6.708 3.850 ( 0.000 20.764 41.799) 46.673 4.021 ( -0.000 24.978 -20.278) 32.173 5.765 ( 0.000 -23.879 5.921) 24.602 5.938 ( -0.000 -6.402 -17.782) 18.899 6.493 ( 0.000 -8.471 -2.544) 8.844 7.498 ( -0.000 8.437 2.950) 8.938 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 1.957 -5.273 -9.644) 11.164 1.609 ( 13.315 -1.543 -3.228) 13.787 1.835 ( 0.951 -0.225 0.294) 1.021 1.990 ( 2.903 3.180 2.357) 4.908 2.137 ( -0.385 -1.820 1.427) 2.344 3.222 ( -5.966 3.433 -1.054) 6.963 4.058 ( -5.624 21.302 -1.166) 22.063 4.455 ( 19.566 14.543 14.720) 28.479 5.340 ( -19.281 -9.137 -5.865) 22.128 5.853 ( 3.381 -18.313 -1.611) 18.692 6.512 ( 9.005 -3.913 -4.437) 10.775 7.547 ( -3.620 5.855 2.729) 7.405 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 5.758 -2.107 -3.454) 7.037 1.834 ( 4.454 2.105 -0.782) 4.988 1.892 ( 16.275 -3.072 0.071) 16.563 2.086 ( 3.600 3.580 1.443) 5.278 2.124 ( -0.170 -0.602 0.370) 0.726 3.061 ( -13.814 -1.972 -3.529) 14.393 4.037 ( -16.420 9.071 -5.499) 19.548 4.693 ( 4.751 -6.975 2.149) 8.709 5.310 ( 7.962 22.810 0.581) 24.167 5.731 ( 7.105 -21.472 4.667) 23.094 6.616 ( 6.439 -0.836 -3.013) 7.158 7.508 ( -7.052 2.476 2.122) 7.770 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 6.007 -0.000 -0.000) 6.007 1.849 ( -1.160 0.000 0.000) 1.160 2.115 ( -0.767 0.000 0.000) 0.767 2.143 ( 4.208 -0.000 -0.000) 4.208 2.250 ( 19.708 -0.000 -0.000) 19.708 2.750 ( -16.743 0.000 0.000) 16.743 3.729 ( -19.836 0.000 0.000) 19.836 4.793 ( 8.950 -0.000 -0.000) 8.950 5.520 ( 1.917 -0.000 -0.000) 1.917 5.895 ( 22.485 -0.000 -0.000) 22.485 6.661 ( -0.721 0.000 0.000) 0.721 7.372 ( -10.767 0.000 0.000) 10.767 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.000 -3.775 -6.669) 7.663 1.467 ( -0.000 -0.997 -0.893) 1.338 1.822 ( -0.000 -0.358 -0.368) 0.513 1.990 ( 0.000 1.463 1.481) 2.081 2.128 ( 0.000 -1.231 0.908) 1.529 3.310 ( -0.000 2.417 -0.472) 2.463 4.388 ( -0.000 20.738 -11.880) 23.899 4.420 ( 0.000 10.589 22.284) 24.672 5.350 ( 0.000 -19.867 6.682) 20.960 5.685 ( -0.000 -5.197 -13.584) 14.544 6.368 ( -0.000 -2.868 -1.281) 3.141 7.629 ( 0.000 3.137 1.242) 3.374 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.974 -0.000 -0.000) 3.974 1.580 ( 13.457 -0.000 -0.000) 13.457 1.829 ( 1.037 -0.000 -0.000) 1.037 2.034 ( 3.754 -0.000 -0.000) 3.754 2.123 ( -0.020 0.000 0.000) 0.020 3.252 ( -8.271 0.000 0.000) 8.271 4.367 ( -12.998 0.000 0.000) 12.998 4.559 ( 4.733 -0.000 -0.000) 4.733 5.329 ( 8.819 -0.000 -0.000) 8.819 5.563 ( -5.533 0.000 0.000) 5.533 6.455 ( 9.817 -0.000 -0.000) 9.817 7.616 ( -3.670 0.000 0.000) 3.670 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.170 ( 0.000 -0.000 15.418) 15.418 0.170 ( 0.000 -0.000 15.418) 15.418 0.370 ( 0.000 -0.000 33.838) 33.838 2.121 ( -0.000 0.000 -1.612) 1.612 2.121 ( -0.000 0.000 -1.612) 1.612 2.800 ( -0.000 0.000 -1.084) 1.084 3.513 ( -0.000 0.000 -12.640) 12.640 3.513 ( -0.000 0.000 -12.640) 12.640 5.977 ( 0.000 -0.000 3.014) 3.014 5.977 ( 0.000 -0.000 3.014) 3.014 6.846 ( 0.000 -0.000 0.564) 0.564 7.563 ( -0.000 0.000 -0.373) 0.373 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( 8.666 5.003 6.382) 11.868 0.421 ( 13.797 7.966 4.862) 16.657 0.930 ( 28.036 16.187 18.631) 37.351 2.110 ( -2.207 -1.274 -5.462) 6.027 2.112 ( -0.560 -0.323 -1.548) 1.678 2.471 ( -1.421 -0.820 11.030) 11.151 3.590 ( 3.079 1.778 -2.149) 4.154 4.933 ( 38.129 22.014 -75.729) 87.598 5.597 ( -24.306 -14.033 12.277) 30.634 5.852 ( -6.108 -3.527 -4.422) 8.325 7.031 ( 8.074 4.662 11.557) 14.849 7.529 ( -2.700 -1.559 0.569) 3.169 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 12.083 6.976 2.361) 14.150 0.742 ( 14.133 8.160 -3.704) 16.735 1.584 ( 23.131 13.355 7.070) 27.629 2.040 ( 0.274 0.158 -0.941) 0.993 2.088 ( -1.083 -0.625 -0.982) 1.590 2.536 ( 2.856 1.649 9.592) 10.143 3.619 ( -2.910 -1.680 12.869) 13.301 5.178 ( -6.462 -3.731 -4.565) 8.747 5.340 ( 13.172 7.605 -28.794) 32.564 5.714 ( -2.410 -1.391 -11.387) 11.722 7.079 ( -6.327 -3.653 -0.304) 7.312 7.476 ( -3.012 -1.739 6.367) 7.255 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 13.230 7.638 0.920) 15.304 1.013 ( 12.052 6.958 -7.596) 15.855 1.779 ( 0.396 0.229 -9.510) 9.521 2.061 ( -1.015 -0.586 0.112) 1.177 2.339 ( 18.753 10.827 10.261) 23.963 2.647 ( 3.875 2.237 9.033) 10.081 3.523 ( -12.420 -7.171 27.472) 30.990 5.063 ( -3.596 -2.076 15.898) 16.431 5.587 ( 14.914 8.611 -29.330) 34.012 5.713 ( 7.045 4.068 -14.338) 16.485 6.809 ( -13.329 -7.695 -11.039) 18.940 7.399 ( -6.721 -3.881 6.843) 10.347 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 12.282 7.091 -1.077) 14.223 1.225 ( 9.746 5.627 -8.923) 14.362 1.754 ( 0.718 0.414 -6.379) 6.433 2.046 ( -0.554 -0.320 1.063) 1.240 2.682 ( 7.351 4.244 4.300) 9.515 2.782 ( 6.618 3.821 6.937) 10.321 3.283 ( -18.616 -10.748 36.648) 42.487 5.121 ( 3.249 1.876 13.699) 14.203 5.567 ( -14.244 -8.224 -22.285) 27.698 5.914 ( 14.364 8.293 -11.619) 20.251 6.651 ( 8.625 4.979 -10.209) 14.262 7.226 ( -10.302 -5.948 4.083) 12.577 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 9.707 5.604 -3.423) 11.719 1.387 ( 7.639 4.411 -8.840) 12.488 1.768 ( 1.863 1.076 -2.149) 3.041 2.042 ( -0.222 -0.128 0.838) 0.876 2.757 ( -0.499 -0.288 7.259) 7.281 2.928 ( 3.985 2.301 -1.989) 5.013 2.999 ( -18.784 -10.845 40.330) 45.793 4.900 ( -32.152 -18.563 -24.352) 44.400 5.274 ( 6.292 3.633 7.028) 10.108 6.221 ( 15.254 8.807 -7.679) 19.215 6.981 ( -7.076 -4.085 4.234) 9.202 7.025 ( 16.551 9.556 -3.208) 19.379 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 5.101 2.945 -7.796) 9.771 1.520 ( 6.719 3.879 -4.601) 9.021 1.821 ( 2.978 1.719 1.572) 3.781 2.035 ( -0.511 -0.295 -1.294) 1.422 2.744 ( -2.473 -1.428 6.837) 7.409 2.750 ( -16.240 -9.376 37.532) 41.956 2.912 ( -4.840 -2.794 -6.456) 8.539 4.161 ( -22.878 -13.209 -18.145) 32.049 5.433 ( 6.127 3.537 1.549) 7.243 6.500 ( 11.206 6.470 -5.393) 14.018 6.746 ( -10.008 -5.778 0.903) 11.591 7.448 ( 15.641 9.030 1.722) 18.143 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 2.728 1.575 -5.095) 5.990 1.622 ( 3.903 2.253 -3.937) 5.984 1.892 ( 1.586 0.915 1.492) 2.362 2.007 ( -0.781 -0.451 -5.603) 5.675 2.538 ( -13.740 -7.933 28.467) 32.589 2.661 ( -6.748 -3.896 -9.090) 11.972 2.783 ( 0.136 0.078 9.082) 9.084 3.861 ( -1.415 -0.817 -2.785) 3.229 5.534 ( 2.346 1.354 -2.119) 3.439 6.576 ( -4.585 -2.647 -0.142) 5.297 6.660 ( 4.557 2.631 -4.602) 6.991 7.684 ( 4.807 2.775 0.121) 5.552 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 2.504 1.445 -1.235) 3.144 1.664 ( 0.353 0.204 -0.758) 0.861 1.862 ( -3.539 -2.043 -0.775) 4.159 1.975 ( 1.550 0.895 -12.942) 13.065 2.339 ( -11.341 -6.548 16.812) 21.311 2.548 ( -0.218 -0.126 -10.004) 10.008 2.941 ( 7.549 4.358 12.904) 15.572 4.029 ( 15.293 8.830 12.775) 21.796 5.494 ( -4.823 -2.785 -6.273) 8.388 6.565 ( 3.745 2.162 -1.080) 4.457 6.666 ( -2.493 -1.439 -4.008) 4.934 7.659 ( -6.414 -3.703 -2.037) 7.681 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -5.295 -3.057 3.573) 7.082 1.641 ( -0.895 -0.517 4.708) 4.820 1.790 ( -1.361 -0.786 -1.326) 2.056 2.018 ( 7.847 4.531 -18.514) 20.612 2.168 ( -6.766 -3.907 4.461) 8.997 2.540 ( 2.307 1.332 -11.146) 11.460 3.069 ( -0.546 -0.315 6.923) 6.951 4.634 ( 30.733 17.744 24.382) 43.057 5.286 ( -10.147 -5.858 -12.704) 17.282 6.534 ( -7.930 -4.578 -2.161) 9.408 6.708 ( 8.781 5.069 -2.324) 10.402 7.416 ( -13.875 -8.011 -1.021) 16.054 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -11.036 -6.372 5.551) 13.900 1.577 ( -6.249 -3.608 8.097) 10.846 1.809 ( 2.316 1.337 1.094) 2.889 2.046 ( -2.649 -1.529 2.490) 3.944 2.241 ( 16.639 9.607 -25.920) 32.265 2.549 ( 1.674 0.967 -11.732) 11.890 2.971 ( -9.498 -5.484 2.000) 11.149 4.974 ( -10.660 -6.155 -20.812) 24.180 5.440 ( 30.011 17.327 24.309) 42.330 6.324 ( -10.171 -5.872 1.847) 11.888 6.895 ( 7.105 4.102 -3.712) 9.005 7.103 ( -11.903 -6.872 3.846) 14.272 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -14.083 -8.131 6.080) 17.361 1.436 ( -9.382 -5.417 9.121) 14.162 1.883 ( 3.396 1.961 4.988) 6.344 2.025 ( 0.226 0.130 0.082) 0.273 2.509 ( -1.448 -0.836 -12.498) 12.610 2.577 ( 20.757 11.984 -26.041) 35.392 2.653 ( -19.012 -10.976 -3.158) 22.179 4.718 ( -3.494 -2.017 -22.485) 22.844 6.040 ( 14.102 8.142 19.382) 25.314 6.125 ( -8.617 -4.975 7.521) 12.473 6.848 ( -3.949 -2.280 7.536) 8.808 7.120 ( 7.318 4.225 -5.291) 9.970 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -14.444 -8.339 6.878) 18.041 1.215 ( -13.509 -7.799 8.512) 17.770 1.984 ( -1.199 -0.692 8.638) 8.748 2.047 ( 1.639 0.947 -0.700) 2.018 2.128 ( -20.772 -11.993 -7.438) 25.112 2.407 ( -3.364 -1.942 -12.097) 12.706 2.933 ( 18.760 10.831 -25.133) 33.180 4.698 ( 8.098 4.675 -17.183) 19.563 6.013 ( -4.542 -2.622 12.340) 13.409 6.201 ( -2.988 -1.725 23.943) 24.191 6.881 ( 2.103 1.214 -5.119) 5.666 7.262 ( 7.369 4.255 -3.747) 9.298 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -13.631 -7.870 8.027) 17.668 0.894 ( -17.505 -10.107 5.873) 21.049 1.418 ( -30.791 -17.777 -3.099) 35.689 2.084 ( 1.753 1.012 -1.074) 2.291 2.176 ( 5.094 2.941 10.030) 11.627 2.295 ( -2.315 -1.336 -11.401) 11.710 3.213 ( 13.989 8.076 -22.856) 27.987 4.924 ( 15.801 9.122 -12.454) 22.090 6.000 ( -1.305 -0.753 13.162) 13.248 6.220 ( -3.077 -1.777 29.482) 29.695 6.770 ( -7.315 -4.223 -23.048) 24.547 7.417 ( 6.461 3.730 -0.427) 7.472 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.000 12.677 12.537) 17.830 0.479 ( -0.000 21.812 1.187) 21.845 0.927 ( 0.000 25.506 21.836) 33.576 2.090 ( -0.000 -1.151 -2.535) 2.784 2.134 ( -0.000 0.927 -5.853) 5.926 2.469 ( 0.000 -7.809 12.700) 14.909 3.148 ( -0.000 -13.827 -26.538) 29.924 4.845 ( -0.000 34.652 -41.964) 54.422 5.727 ( -0.000 2.833 -23.003) 23.177 6.119 ( 0.000 4.154 9.008) 9.920 6.849 ( 0.000 -4.869 15.380) 16.132 7.522 ( 0.000 -3.870 -0.222) 3.877 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -2.931 15.013 10.539) 18.575 0.730 ( 4.702 19.906 -2.143) 20.566 1.436 ( 17.799 22.144 13.208) 31.330 2.036 ( -3.597 -2.923 -5.546) 7.228 2.093 ( 0.383 0.199 -1.804) 1.855 2.482 ( 3.785 -5.005 11.170) 12.812 3.275 ( 31.326 -15.734 -15.671) 38.399 4.918 ( 6.734 -5.696 -19.765) 21.643 5.552 ( -21.933 15.969 -15.558) 31.275 5.956 ( -13.979 11.506 -0.693) 18.119 7.030 ( 8.215 -6.376 3.427) 10.949 7.474 ( 0.194 -5.498 3.026) 6.278 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 3.993 12.231 6.963) 14.629 0.985 ( 5.236 17.993 -5.789) 19.613 1.751 ( 0.010 3.274 -8.458) 9.069 2.032 ( 4.269 -0.887 -0.434) 4.382 2.225 ( 12.007 12.118 10.448) 20.004 2.564 ( 6.910 -4.715 10.147) 13.151 3.587 ( 16.289 -5.442 6.513) 18.367 4.913 ( 20.017 -21.836 -17.557) 34.435 5.323 ( -17.032 11.903 7.680) 22.152 5.925 ( -7.202 19.869 -14.572) 25.671 6.916 ( -9.690 -6.277 -10.229) 15.425 7.438 ( -1.064 -7.128 6.347) 9.603 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 7.989 8.420 2.448) 11.862 1.203 ( 4.479 15.051 -6.957) 17.175 1.713 ( 0.537 -0.579 -7.538) 7.579 2.066 ( 0.423 2.199 -0.860) 2.399 2.548 ( 9.470 0.374 8.064) 12.444 2.722 ( 9.165 3.710 7.638) 12.494 3.676 ( -10.297 2.779 23.752) 26.037 5.059 ( 19.682 -13.652 -11.044) 26.377 5.339 ( 9.046 3.086 4.793) 10.692 5.852 ( -13.114 1.548 -12.033) 17.865 6.699 ( -5.210 9.071 -13.473) 17.058 7.317 ( -6.626 -8.418 4.110) 11.475 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 8.690 5.142 -1.944) 10.283 1.376 ( 3.886 11.514 -6.198) 13.641 1.721 ( 2.874 0.109 -3.287) 4.368 2.088 ( -1.314 4.046 -0.502) 4.284 2.665 ( 6.497 -6.425 8.124) 12.227 2.890 ( 2.708 3.544 1.730) 4.784 3.546 ( -21.375 9.329 28.458) 36.794 5.131 ( -16.437 -18.844 -16.546) 29.984 5.204 ( -2.062 -1.754 -7.050) 7.552 5.876 ( 24.032 1.581 1.184) 24.113 6.876 ( 11.038 15.634 -2.843) 19.347 7.104 ( -9.638 -7.288 0.567) 12.096 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 7.342 2.298 -5.498) 9.456 1.515 ( 3.278 8.663 -4.303) 10.213 1.780 ( 3.761 1.112 0.949) 4.035 2.091 ( -2.485 3.685 -0.816) 4.519 2.716 ( 2.400 -4.824 9.197) 10.659 2.888 ( -4.175 -1.088 -2.158) 4.824 3.384 ( -24.392 16.029 26.219) 39.234 4.359 ( -28.570 -20.027 -20.946) 40.695 5.322 ( 8.942 -0.453 -1.649) 9.104 6.296 ( 18.923 6.307 -2.676) 20.125 6.839 ( -9.514 -10.086 1.787) 13.979 7.265 ( 15.640 10.436 1.015) 18.830 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 5.640 -0.402 -7.424) 9.332 1.619 ( 1.814 6.251 -2.015) 6.814 1.861 ( 2.600 1.202 2.765) 3.982 2.071 ( -3.142 3.067 -1.795) 4.743 2.721 ( -8.732 -2.669 -5.341) 10.578 2.735 ( -1.094 -0.366 7.361) 7.451 3.202 ( -28.968 19.299 23.355) 41.917 3.846 ( -5.938 -9.499 -8.458) 14.037 5.450 ( 7.258 -0.458 -3.659) 8.141 6.569 ( 5.195 2.288 -6.600) 8.705 6.619 ( -2.817 -4.858 2.091) 5.993 7.557 ( 11.078 0.287 1.562) 11.192 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 5.725 -1.639 -7.371) 9.476 1.677 ( -0.119 2.946 0.754) 3.043 1.860 ( -2.917 -1.556 0.112) 3.308 2.037 ( -3.374 3.109 -3.280) 5.640 2.555 ( -4.285 0.890 -9.650) 10.596 2.811 ( -8.152 16.212 11.727) 21.606 3.021 ( -17.060 15.639 19.390) 30.193 3.873 ( 12.991 0.489 6.613) 14.586 5.494 ( 0.182 -1.677 -5.970) 6.204 6.463 ( 1.556 -7.778 -4.856) 9.300 6.699 ( 0.150 3.827 -1.982) 4.313 7.631 ( 1.968 -7.787 -0.988) 8.092 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 6.966 -1.746 -5.858) 9.268 1.660 ( -3.285 -3.319 4.560) 6.527 1.781 ( -4.108 -1.190 -0.150) 4.279 2.012 ( -1.241 4.584 -5.672) 7.398 2.499 ( -1.959 2.969 -8.199) 8.937 2.718 ( -29.192 33.456 6.665) 44.898 3.117 ( 1.124 4.683 9.443) 10.600 4.344 ( 30.212 10.395 21.039) 38.255 5.361 ( -9.105 -3.549 -10.727) 14.511 6.443 ( 5.705 -9.152 -8.773) 13.902 6.686 ( -1.648 0.719 1.295) 2.215 7.490 ( -6.059 -10.802 -1.916) 12.533 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -7.100 -7.668 5.531) 11.824 1.637 ( 2.650 -2.225 1.039) 3.613 1.717 ( 0.809 -2.096 -2.136) 3.100 2.049 ( 2.491 3.934 -5.137) 6.933 2.442 ( -10.649 10.235 -1.584) 14.855 2.657 ( -15.849 33.294 -6.352) 37.417 3.114 ( -7.654 1.747 2.734) 8.313 5.010 ( 1.638 -1.586 -10.264) 10.514 5.180 ( 19.639 11.146 14.738) 26.966 6.306 ( -3.900 -16.848 -2.780) 17.516 6.747 ( 8.884 -2.506 -1.728) 9.391 7.266 ( -9.649 -4.506 0.728) 10.674 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -10.929 -9.949 6.457) 16.129 1.583 ( -5.931 -1.465 4.112) 7.364 1.782 ( 8.163 -3.059 -1.417) 8.832 2.102 ( 0.245 3.112 -0.559) 3.171 2.361 ( -7.341 6.567 -4.406) 10.790 2.733 ( -9.816 22.886 -7.326) 25.957 2.941 ( -15.601 11.481 -6.050) 20.293 4.725 ( -9.422 -1.301 -25.200) 26.935 5.859 ( 26.265 8.703 16.130) 32.028 6.034 ( -3.468 -25.567 8.545) 27.180 6.861 ( 8.468 -3.477 -1.950) 9.360 7.139 ( -6.248 5.882 1.422) 8.698 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -12.925 -10.094 6.703) 17.716 1.445 ( -11.638 -0.962 4.105) 12.379 1.902 ( 9.570 -2.269 0.401) 9.844 2.115 ( -4.155 6.304 3.401) 8.281 2.278 ( -0.675 -4.740 -8.256) 9.544 2.422 ( -26.179 -7.250 -3.070) 27.338 3.033 ( -4.761 36.128 -15.004) 39.409 4.602 ( 2.320 7.706 -22.036) 23.460 5.787 ( 3.304 -32.228 15.860) 36.070 6.270 ( 10.742 2.825 8.327) 13.882 6.958 ( 0.442 5.272 2.263) 5.755 7.162 ( 3.708 4.067 -3.395) 6.467 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -13.157 -9.011 6.971) 17.404 1.182 ( -18.866 -2.732 0.104) 19.063 1.847 ( -32.078 -5.253 0.170) 32.506 2.039 ( 7.371 -1.578 -2.234) 7.862 2.137 ( 0.680 1.694 -0.431) 1.875 2.224 ( 1.096 -0.576 2.430) 2.727 3.234 ( -1.508 26.124 -14.056) 29.704 4.777 ( 11.277 16.936 -16.844) 26.414 5.646 ( 10.429 -34.017 19.008) 40.339 6.380 ( -0.014 -1.794 -1.824) 2.559 6.928 ( -9.087 7.496 -2.129) 11.970 7.311 ( 8.934 2.236 0.008) 9.209 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 15.100 11.392) 18.915 0.888 ( -0.000 20.746 -2.943) 20.954 1.574 ( 0.000 27.168 14.385) 30.741 2.053 ( -0.000 -0.780 -1.745) 1.911 2.065 ( -0.000 -2.674 -9.403) 9.776 2.444 ( 0.000 -5.335 13.276) 14.308 2.686 ( -0.000 -12.421 -23.976) 27.002 4.712 ( 0.000 -19.161 -6.186) 20.135 5.864 ( -0.000 28.424 -38.352) 47.737 6.238 ( 0.000 1.270 8.038) 8.138 6.868 ( 0.000 -3.233 11.305) 11.758 7.414 ( 0.000 -7.513 1.000) 7.579 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -4.658 15.140 10.589) 19.054 1.093 ( 2.127 19.371 -5.100) 20.144 1.813 ( -7.075 4.142 -7.679) 11.233 1.960 ( 3.551 3.811 0.494) 5.233 2.187 ( 12.182 11.521 6.889) 18.127 2.451 ( 2.941 -6.990 10.561) 13.002 2.945 ( 40.115 -6.564 -9.113) 41.657 4.500 ( 2.586 -22.713 -6.953) 23.894 5.815 ( -20.023 17.201 -12.930) 29.394 6.178 ( -7.229 11.153 -1.624) 13.390 6.913 ( -0.041 -3.879 -4.158) 5.687 7.359 ( 2.253 -9.215 4.389) 10.453 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -2.316 13.438 7.450) 15.539 1.274 ( 2.050 14.854 -6.172) 16.215 1.684 ( -2.049 -1.968 -7.623) 8.135 2.059 ( 3.190 5.064 -2.976) 6.684 2.462 ( 3.538 -5.297 10.187) 12.014 2.607 ( 14.369 10.739 5.167) 18.668 3.606 ( 33.408 3.806 8.864) 34.773 4.374 ( 16.225 -21.627 -12.391) 29.741 5.576 ( -17.869 6.301 0.828) 18.966 6.119 ( -14.214 6.824 -1.274) 15.818 6.802 ( -4.342 5.011 -12.341) 14.009 7.303 ( -0.758 -10.066 3.340) 10.633 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.623 10.281 2.760) 10.664 1.408 ( 2.699 9.637 -4.847) 11.120 1.664 ( 2.408 0.495 -3.222) 4.053 2.135 ( 0.527 5.066 -2.461) 5.656 2.517 ( 7.254 -6.279 6.035) 11.335 2.880 ( 5.549 7.399 1.241) 9.332 3.934 ( -3.328 7.925 14.452) 16.815 4.669 ( 35.440 -12.723 -13.958) 40.158 5.283 ( -14.997 -10.895 -14.032) 23.248 5.890 ( -14.119 7.848 13.621) 21.130 6.865 ( 4.524 8.874 -2.897) 10.374 7.166 ( -5.275 -6.015 -1.752) 8.190 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 2.195 5.836 -2.229) 6.622 1.530 ( 3.382 7.577 -1.577) 8.446 1.732 ( 4.009 2.799 0.551) 4.921 2.150 ( -1.566 1.517 -0.129) 2.184 2.628 ( 7.812 -1.410 2.752) 8.401 2.948 ( -2.710 3.282 -2.999) 5.207 3.948 ( -13.017 15.369 12.702) 23.812 4.492 ( -19.911 -27.809 -23.988) 41.776 5.162 ( 8.529 3.455 -5.658) 10.803 6.056 ( 14.529 8.670 11.584) 20.504 6.866 ( -5.317 -13.160 5.598) 15.258 7.180 ( 6.713 11.136 -3.352) 13.428 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.514 1.994 -5.723) 6.561 1.645 ( 2.224 5.906 0.975) 6.386 1.844 ( 3.796 4.523 2.389) 6.370 2.125 ( -1.968 -0.142 0.432) 2.020 2.744 ( 3.975 1.760 3.743) 5.737 2.840 ( -9.438 0.301 -8.928) 12.995 3.795 ( -13.196 -9.082 -9.875) 18.818 3.973 ( -19.936 14.104 7.779) 25.629 5.297 ( 6.908 2.348 -4.677) 8.666 6.434 ( 14.671 7.048 1.136) 16.316 6.633 ( -7.323 -12.331 3.170) 14.688 7.389 ( 9.054 0.763 2.317) 9.377 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 3.066 0.109 -7.450) 8.057 1.714 ( 0.032 2.525 2.847) 3.806 1.914 ( -1.998 3.412 -0.175) 3.958 2.091 ( -1.972 -0.030 0.002) 1.972 2.634 ( -7.942 0.640 -9.271) 12.224 2.876 ( 6.046 7.265 7.870) 12.299 3.656 ( 9.943 -6.885 -0.987) 12.134 3.852 ( -28.944 32.600 12.202) 45.270 5.407 ( 5.892 1.167 -6.398) 8.776 6.380 ( -5.305 -11.437 -3.206) 13.008 6.692 ( 5.640 4.199 0.324) 7.039 7.475 ( 5.225 -9.715 1.632) 11.151 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.936 -0.097 -6.905) 8.488 1.704 ( -3.073 -2.236 4.321) 5.754 1.865 ( -5.215 1.763 -0.813) 5.565 2.058 ( -2.134 1.039 -1.023) 2.585 2.537 ( -3.232 4.112 -8.684) 10.137 3.127 ( 6.842 9.114 7.040) 13.396 3.716 ( -34.106 41.130 9.269) 54.229 3.975 ( 28.604 2.045 13.911) 31.873 5.426 ( -3.341 1.051 -7.845) 8.592 6.220 ( 2.775 -11.326 -9.584) 15.094 6.717 ( -3.050 -4.679 2.006) 5.935 7.409 ( 0.977 -12.321 -0.652) 12.377 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 6.527 -0.824 -5.150) 8.355 1.605 ( -6.354 -5.146 4.933) 9.550 1.778 ( -5.849 -0.162 0.429) 5.867 2.049 ( 0.116 1.920 -1.351) 2.351 2.522 ( -1.180 5.502 -7.680) 9.520 3.239 ( -3.131 2.602 4.480) 6.053 3.601 ( -34.016 49.617 4.618) 60.334 4.661 ( 35.794 5.608 15.745) 39.503 5.254 ( -11.941 2.015 -10.907) 16.297 6.142 ( 2.661 -13.646 -10.944) 17.693 6.569 ( 0.947 -16.807 5.355) 17.665 7.316 ( -1.571 -4.064 -0.778) 4.426 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -9.619 -7.087 4.884) 12.908 1.584 ( 6.155 -1.162 -3.222) 7.044 1.687 ( -3.815 -0.791 0.362) 3.913 2.084 ( 2.208 1.602 -0.423) 2.760 2.517 ( -3.841 4.945 -5.313) 8.212 3.118 ( -14.130 0.139 4.211) 14.745 3.574 ( -28.305 48.670 0.893) 56.309 4.818 ( -11.836 0.330 -24.616) 27.315 5.473 ( 27.982 0.455 7.931) 29.088 5.907 ( -4.241 -22.537 11.356) 25.590 6.588 ( 14.254 -9.063 -1.215) 16.935 7.272 ( -3.115 2.519 0.109) 4.007 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -12.348 -6.430 4.310) 14.574 1.569 ( -4.983 -1.390 -0.343) 5.185 1.720 ( 7.738 -0.677 -2.829) 8.266 2.144 ( 3.053 0.982 1.476) 3.530 2.416 ( -11.173 2.902 -3.905) 12.186 2.811 ( -22.725 -1.316 2.549) 22.905 3.557 ( -20.698 31.594 -0.554) 37.774 4.631 ( -4.232 15.506 -26.843) 31.287 5.497 ( 0.271 -31.539 14.781) 34.832 6.040 ( 18.879 -2.873 5.690) 19.926 6.803 ( 15.388 -0.508 0.405) 15.401 7.242 ( -3.998 3.096 -0.888) 5.134 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -13.675 -3.667 3.801) 14.659 1.408 ( -12.291 -3.066 -4.144) 13.329 1.840 ( 8.199 -0.864 -5.793) 10.076 2.158 ( -6.109 -3.593 -5.544) 8.998 2.256 ( -4.773 4.977 6.130) 9.227 2.427 ( -23.378 4.748 9.756) 25.773 3.505 ( -9.077 10.357 1.485) 13.851 4.784 ( 4.467 30.341 -23.065) 38.373 5.290 ( 2.967 -28.458 20.964) 35.470 6.248 ( 9.897 -5.878 -5.718) 12.853 6.987 ( 4.605 -1.812 -4.202) 6.492 7.230 ( 2.705 2.404 2.367) 4.325 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 14.243 7.728) 16.204 1.230 ( -0.000 17.630 -5.150) 18.367 1.889 ( -0.000 -7.356 -11.705) 13.824 2.010 ( -0.000 -2.706 -6.003) 6.585 2.147 ( 0.000 21.484 8.294) 23.030 2.455 ( 0.000 -1.975 13.353) 13.499 2.474 ( 0.000 2.442 5.175) 5.722 4.240 ( 0.000 -22.165 -7.712) 23.468 6.119 ( -0.000 19.205 -23.242) 30.150 6.272 ( 0.000 -1.877 2.608) 3.213 6.895 ( 0.000 1.872 1.333) 2.298 7.252 ( 0.000 -10.692 3.576) 11.275 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.188 13.775 5.644) 15.465 1.364 ( -0.177 11.740 -6.827) 13.582 1.687 ( -4.797 -4.390 -7.329) 9.798 2.042 ( 4.603 2.192 -5.413) 7.436 2.317 ( 4.891 -6.888 4.847) 9.740 2.588 ( 6.453 16.221 7.361) 18.946 2.996 ( 39.218 9.370 18.486) 44.358 4.030 ( 2.768 -18.335 -9.381) 20.781 5.932 ( -20.425 2.106 -9.646) 22.686 6.329 ( -0.937 5.245 -1.981) 5.684 6.881 ( -4.220 4.821 -6.042) 8.807 7.192 ( 2.566 -10.076 3.771) 11.060 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -4.734 7.915 -0.763) 9.254 1.429 ( 1.464 7.441 -0.889) 7.636 1.642 ( 0.973 3.027 -1.678) 3.595 2.143 ( 3.999 5.438 -5.949) 8.998 2.324 ( 6.971 -11.182 3.809) 13.716 2.873 ( 6.630 12.486 0.859) 14.164 3.891 ( 43.753 9.626 16.217) 47.644 3.938 ( 7.104 -9.290 -8.413) 14.407 5.476 ( -24.807 -9.236 -14.083) 29.984 6.264 ( -12.226 5.396 6.710) 14.954 6.870 ( -0.059 1.335 0.425) 1.402 7.151 ( 0.295 -2.151 -3.165) 3.838 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.814 2.065 -2.978) 3.714 1.548 ( 2.004 8.707 3.425) 9.569 1.719 ( 2.839 5.626 0.750) 6.347 2.176 ( -1.096 -0.715 0.877) 1.575 2.427 ( 13.277 -3.602 -4.198) 14.383 3.016 ( -0.585 7.323 -3.686) 8.219 3.996 ( 12.781 -6.849 -13.548) 19.845 4.493 ( -5.530 1.541 -1.356) 5.898 5.021 ( 4.307 -2.303 -3.995) 6.310 6.168 ( -8.289 7.970 11.535) 16.288 6.820 ( -2.081 -12.374 6.862) 14.302 7.193 ( 2.401 8.725 -4.244) 9.995 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.506 0.811 -3.791) 3.910 1.666 ( 1.929 5.434 3.982) 7.008 1.846 ( 3.826 7.502 2.256) 8.718 2.143 ( -1.226 -2.103 1.770) 3.010 2.619 ( 12.621 -0.218 -2.969) 12.968 2.967 ( -7.905 2.085 -9.253) 12.347 3.810 ( -14.204 -23.174 -20.543) 34.070 4.284 ( -1.674 16.838 -6.081) 17.981 5.302 ( 4.989 10.437 5.818) 12.949 6.288 ( 9.633 6.507 8.413) 14.350 6.640 ( -6.447 -13.240 5.520) 15.727 7.306 ( 3.574 2.414 1.276) 4.498 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.726 0.209 -5.693) 5.743 1.739 ( 0.741 1.783 3.624) 4.107 1.979 ( 1.008 6.997 1.683) 7.267 2.108 ( -1.257 -1.612 0.731) 2.171 2.730 ( -5.198 -1.530 -9.029) 10.531 2.844 ( 5.643 2.938 2.266) 6.754 3.441 ( 0.599 -11.368 -8.894) 14.446 4.446 ( -3.465 25.363 -8.285) 26.906 5.404 ( -3.353 9.240 4.415) 10.775 6.396 ( -9.270 -10.677 2.440) 14.349 6.579 ( 12.542 2.804 2.925) 13.180 7.330 ( 1.478 -8.488 3.107) 9.158 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.641 0.697 -5.492) 6.134 1.744 ( -1.976 -1.247 3.180) 3.946 1.975 ( -5.388 2.484 -0.622) 5.966 2.090 ( -1.215 0.108 0.553) 1.340 2.623 ( -4.801 4.444 -7.020) 9.596 3.074 ( 11.269 5.561 7.966) 14.878 3.543 ( 22.974 -5.557 1.932) 23.715 4.564 ( -15.248 36.712 -6.220) 40.236 5.458 ( -0.825 7.599 0.820) 7.688 6.132 ( -8.822 -11.622 -1.589) 14.677 6.702 ( -0.181 -5.893 0.677) 5.935 7.249 ( 2.783 -12.562 1.931) 13.011 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 3.998 0.987 -3.822) 5.618 1.676 ( -4.905 -2.889 2.996) 6.432 1.889 ( -6.689 0.709 0.430) 6.740 2.066 ( -1.224 0.209 -0.092) 1.245 2.585 ( -2.971 5.921 -5.706) 8.743 3.266 ( 4.201 1.941 2.465) 5.243 4.081 ( 37.828 -0.723 6.878) 38.455 4.616 ( -23.700 45.511 0.299) 51.313 5.465 ( -10.754 7.222 -3.393) 13.390 5.922 ( 2.236 -10.628 -10.172) 14.880 6.451 ( -8.836 -26.012 7.854) 28.572 7.249 ( 4.679 -3.335 -0.058) 5.747 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 3.190 -0.213 -2.377) 3.984 1.556 ( -6.326 -2.313 2.419) 7.157 1.777 ( -6.655 -0.243 0.720) 6.699 2.067 ( 0.915 0.492 0.366) 1.102 2.587 ( -1.675 4.885 -3.593) 6.291 3.274 ( -4.503 -0.799 0.273) 4.582 4.523 ( -17.842 33.053 -0.558) 37.565 4.741 ( 12.512 1.927 -1.166) 12.713 5.227 ( -8.194 3.285 -17.522) 19.620 5.831 ( -5.547 -16.243 9.721) 19.726 6.250 ( 13.243 -13.481 7.547) 20.349 7.295 ( 1.725 0.474 -0.286) 1.812 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -10.170 -2.647 1.006) 10.557 1.568 ( 3.534 1.325 -2.028) 4.285 1.683 ( -3.832 0.015 0.743) 3.904 2.106 ( 2.658 0.342 1.471) 3.057 2.567 ( -5.096 2.781 -2.191) 6.205 3.102 ( -13.584 -2.445 -1.322) 13.866 4.172 ( -30.964 -5.282 1.939) 31.471 4.870 ( -3.045 28.612 -22.273) 36.387 5.288 ( 4.496 -5.095 1.880) 7.050 5.676 ( 10.102 -17.953 10.697) 23.212 6.538 ( 18.270 3.064 6.482) 19.626 7.297 ( -1.761 -0.244 -1.311) 2.209 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -12.265 0.614 0.407) 12.287 1.525 ( -6.815 -1.422 -4.366) 8.218 1.723 ( 4.984 2.302 -2.029) 5.853 2.155 ( 1.060 -1.444 1.090) 2.096 2.436 ( -9.630 2.047 0.353) 9.852 2.825 ( -16.298 0.496 3.138) 16.605 3.674 ( -13.733 -19.361 9.171) 25.447 5.030 ( -2.231 20.389 -12.476) 24.007 5.239 ( -8.527 10.212 12.975) 18.584 5.853 ( 23.180 -12.978 -9.971) 28.376 6.847 ( 10.050 2.186 3.161) 10.760 7.223 ( -2.264 -3.557 -2.437) 4.870 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.000 8.252 -0.550) 8.270 1.452 ( -0.000 6.857 -12.414) 14.181 1.669 ( -0.000 -2.891 -6.524) 7.135 1.896 ( -0.000 -3.041 -3.358) 4.531 2.332 ( 0.000 -4.495 9.106) 10.155 2.728 ( -0.000 18.256 5.339) 19.021 2.865 ( 0.000 19.436 34.576) 39.664 3.811 ( -0.000 -13.415 -11.520) 17.682 6.199 ( -0.000 -4.800 -5.218) 7.090 6.210 ( -0.000 2.948 -12.510) 12.852 6.928 ( -0.000 -3.182 -3.541) 4.761 7.124 ( 0.000 0.199 4.873) 4.877 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -1.801 -4.423 -12.241) 13.140 1.545 ( 2.572 8.549 -1.286) 9.020 1.678 ( -0.837 6.493 -0.374) 6.557 1.963 ( 10.118 -2.944 -4.604) 11.499 2.261 ( -3.847 -4.923 7.574) 9.818 2.923 ( 2.804 14.181 1.702) 14.556 3.462 ( 23.985 13.691 27.153) 38.730 3.743 ( 10.131 0.550 -5.187) 11.395 5.775 ( -25.514 -7.832 -13.997) 30.137 6.339 ( 5.524 -2.391 -3.526) 6.976 6.848 ( 0.226 -10.101 1.221) 10.177 7.177 ( -1.443 9.257 0.402) 9.377 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.434 -4.971 -7.167) 9.055 1.683 ( 0.125 12.204 4.278) 12.932 1.732 ( 1.657 4.621 0.497) 4.934 2.113 ( 14.273 -3.695 -7.897) 16.725 2.189 ( -2.121 -3.884 4.343) 6.200 3.070 ( 1.423 7.523 -3.617) 8.468 3.675 ( 8.595 -1.274 -12.622) 15.323 4.403 ( 30.589 19.190 24.377) 43.568 5.146 ( -28.606 -11.146 -16.755) 34.975 6.331 ( -1.797 -3.741 2.867) 5.045 6.759 ( -0.445 -9.870 2.755) 10.257 7.254 ( -0.845 10.005 0.234) 10.043 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 4.035 -3.546 -3.695) 6.520 1.749 ( -2.545 6.048 4.423) 7.913 1.875 ( 3.678 9.615 3.679) 10.932 2.144 ( -0.886 -2.967 3.016) 4.323 2.317 ( 17.444 -2.810 -8.570) 19.637 3.052 ( -5.151 -1.356 -9.580) 10.961 3.694 ( -1.294 -5.198 -17.085) 17.905 4.526 ( -18.154 6.853 -12.835) 23.265 5.187 ( 24.429 10.109 15.540) 30.667 6.278 ( 0.538 -4.924 6.540) 8.204 6.654 ( -4.457 -5.915 2.522) 7.824 7.322 ( -0.884 4.473 2.428) 5.166 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.202 -1.757 -3.233) 4.288 1.770 ( -1.401 2.399 3.063) 4.135 2.028 ( 2.345 8.000 4.222) 9.345 2.115 ( -1.129 -1.603 0.911) 2.162 2.567 ( 16.266 -1.365 -7.197) 17.839 2.831 ( -6.242 -8.575 -7.997) 13.284 3.430 ( -12.076 -4.045 -10.077) 16.240 4.537 ( 5.386 18.669 -16.400) 25.426 5.567 ( 4.105 7.154 12.382) 14.878 6.367 ( 12.376 -5.060 6.474) 14.855 6.510 ( -9.153 -0.614 1.094) 9.239 7.298 ( -3.793 -4.571 3.277) 6.784 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 1.491 0.202 -2.827) 3.202 1.769 ( -1.150 -0.425 1.805) 2.183 2.066 ( -3.385 0.162 -0.612) 3.444 2.114 ( -0.544 2.002 2.285) 3.086 2.650 ( 4.588 0.068 -6.146) 7.670 2.914 ( 14.502 0.731 5.051) 15.374 3.249 ( 0.413 -3.483 -5.563) 6.576 4.809 ( 8.783 23.660 -18.843) 31.496 5.641 ( -4.110 4.434 12.392) 13.788 6.282 ( -15.269 -0.985 4.022) 15.820 6.585 ( 9.149 -4.026 -1.145) 10.061 7.141 ( -4.331 -11.574 2.750) 12.660 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 2.850 1.807 -0.834) 3.476 1.730 ( -3.087 -1.577 1.190) 3.665 2.001 ( -5.068 0.599 0.555) 5.133 2.094 ( -2.197 -0.231 0.446) 2.253 2.687 ( -3.244 4.890 -2.713) 6.465 3.148 ( 10.924 -1.053 -1.335) 11.056 3.463 ( 29.840 -3.505 0.773) 30.055 5.126 ( 4.641 29.885 -15.469) 33.969 5.672 ( 0.061 2.474 12.693) 12.932 5.965 ( -22.559 -2.156 -3.017) 22.861 6.432 ( -12.805 -18.664 3.857) 22.961 7.108 ( 7.857 -3.288 0.755) 8.550 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 2.861 2.230 -0.077) 3.628 1.646 ( -5.395 -1.595 0.899) 5.697 1.901 ( -7.354 -0.036 1.131) 7.441 2.069 ( -0.679 0.120 0.608) 0.920 2.658 ( -3.191 3.278 -0.510) 4.603 3.255 ( 4.508 -2.390 -3.372) 6.116 4.004 ( 38.227 -5.509 -9.411) 39.752 5.265 ( -21.958 -1.400 -1.035) 22.027 5.469 ( -16.668 8.634 -19.522) 27.082 5.862 ( 12.161 6.487 9.986) 17.020 6.061 ( -14.382 -9.126 16.304) 23.578 7.229 ( 6.419 0.153 0.194) 6.423 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -2.232 1.704 -2.358) 3.667 1.557 ( -2.165 0.698 2.268) 3.212 1.781 ( -6.928 -0.053 1.085) 7.013 2.079 ( 1.242 0.117 1.407) 1.880 2.642 ( -2.176 1.348 1.412) 2.923 3.212 ( -4.567 -3.730 -5.213) 7.871 4.449 ( -12.777 -29.561 -6.804) 32.915 4.550 ( 16.957 -10.845 -15.650) 25.496 5.411 ( -5.091 4.492 -8.098) 10.567 5.828 ( -21.088 19.274 15.588) 32.545 6.305 ( 19.667 7.810 10.520) 23.632 7.299 ( 1.076 0.224 0.022) 1.099 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -9.321 2.833 -2.754) 10.124 1.583 ( -1.732 1.124 -2.435) 3.193 1.708 ( -1.113 1.872 1.621) 2.715 2.120 ( 2.424 -0.434 2.338) 3.396 2.586 ( -6.522 -0.501 1.669) 6.751 3.013 ( -9.879 -4.553 -3.819) 11.528 3.695 ( -18.041 -36.255 9.837) 41.674 4.961 ( 26.492 -1.989 -15.792) 30.905 5.320 ( 2.572 -9.922 -4.558) 11.218 5.798 ( -17.231 31.485 6.492) 36.474 6.705 ( 14.862 6.150 7.908) 17.923 7.249 ( -5.820 -2.333 -2.195) 6.644 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 -7.258 -16.360) 17.898 1.508 ( -0.000 1.743 -4.881) 5.183 1.757 ( -0.000 6.633 -0.768) 6.677 1.886 ( 0.000 1.525 3.542) 3.856 2.275 ( 0.000 -6.721 7.840) 10.326 3.049 ( -0.000 12.032 -0.445) 12.041 3.583 ( 0.000 23.021 42.682) 48.494 3.629 ( -0.000 5.725 -13.603) 14.758 6.013 ( -0.000 -7.291 -13.256) 15.129 6.071 ( -0.000 -8.391 -9.019) 12.319 6.720 ( 0.000 -13.837 1.933) 13.971 7.309 ( -0.000 11.755 1.786) 11.890 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.732 -6.159 -10.692) 12.460 1.600 ( 10.696 1.287 -5.268) 11.992 1.807 ( 0.177 4.359 0.381) 4.380 1.948 ( 3.236 1.734 2.693) 4.553 2.214 ( -2.607 -4.824 6.404) 8.430 3.119 ( -1.727 6.669 -1.907) 7.148 3.649 ( -1.426 14.076 -9.959) 17.302 4.200 ( 24.902 19.550 31.321) 44.535 5.485 ( -28.865 -9.744 -15.999) 34.410 6.178 ( 10.073 -11.871 -3.158) 15.886 6.631 ( 3.680 -10.565 0.001) 11.188 7.402 ( -2.706 10.497 2.517) 11.129 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.421 -4.280 -4.752) 8.384 1.791 ( 6.362 2.130 -1.519) 6.879 1.893 ( 8.693 5.132 0.086) 10.095 2.036 ( 5.516 0.343 0.775) 5.581 2.160 ( -2.048 -2.198 4.538) 5.442 3.080 ( -5.898 -1.222 -5.867) 8.408 3.727 ( -3.267 14.556 -12.484) 19.453 4.833 ( -6.028 -7.876 -7.047) 12.167 4.948 ( 7.849 17.743 13.045) 23.379 6.148 ( 4.431 -17.043 4.877) 18.273 6.629 ( 3.417 -3.138 -2.934) 5.489 7.437 ( -4.391 6.450 3.429) 8.524 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 5.888 -2.127 -1.577) 6.456 1.832 ( -1.097 1.670 0.868) 2.178 2.092 ( 2.006 5.745 1.607) 6.294 2.133 ( -1.769 0.324 4.268) 4.631 2.224 ( 19.604 -0.120 -2.833) 19.808 2.841 ( -11.594 -9.043 -7.494) 16.503 3.639 ( -14.567 6.440 -9.404) 18.497 4.603 ( -1.888 11.269 -14.691) 18.611 5.475 ( 16.857 6.667 13.609) 22.667 6.109 ( 9.982 -14.914 6.106) 18.957 6.629 ( -2.309 1.807 -1.792) 3.436 7.386 ( -7.394 -0.025 3.005) 7.982 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.438 0.169 0.277) 3.453 1.806 ( -3.013 0.190 0.308) 3.034 2.095 ( -1.462 -0.641 -0.770) 1.772 2.162 ( -0.886 1.336 2.341) 2.838 2.510 ( 8.363 3.882 -4.948) 10.464 2.674 ( 9.453 -5.483 5.356) 12.170 3.392 ( -15.235 3.193 -4.560) 16.220 4.784 ( 9.557 18.479 -14.930) 25.607 5.667 ( 3.070 -6.605 12.930) 14.840 6.290 ( 18.733 -5.293 0.101) 19.466 6.555 ( -9.921 3.685 0.147) 10.584 7.204 ( -11.356 -5.602 1.042) 12.705 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.337 2.257 2.595) 4.158 1.759 ( -1.994 -1.055 -0.310) 2.277 2.065 ( -1.952 0.408 0.151) 1.999 2.132 ( -2.245 -1.290 0.038) 2.589 2.659 ( 8.589 3.253 0.258) 9.188 2.907 ( 13.119 -3.387 -0.462) 13.557 3.233 ( -2.515 3.635 0.534) 4.452 5.127 ( 14.158 19.954 -9.528) 26.257 5.645 ( 0.679 -12.481 13.003) 18.036 6.279 ( -16.712 -10.203 -8.604) 21.388 6.517 ( 0.754 5.304 4.072) 6.730 7.006 ( -2.981 -1.788 -0.201) 3.482 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 2.226 2.515 3.181) 4.626 1.706 ( -3.148 -1.061 -0.775) 3.411 2.013 ( -5.423 -0.055 1.615) 5.658 2.090 ( -1.166 -0.437 -0.030) 1.246 2.740 ( -2.695 0.581 2.251) 3.559 3.033 ( 13.339 -5.299 -9.648) 17.294 3.438 ( 19.299 1.917 -1.969) 19.493 5.394 ( -10.991 -16.508 -2.856) 20.037 5.615 ( 15.074 -7.929 17.882) 24.696 5.777 ( -18.022 4.554 -16.920) 25.135 6.492 ( -14.373 14.397 6.329) 21.305 7.095 ( 9.380 2.049 -0.435) 9.611 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 1.890 2.804 1.116) 3.561 1.631 ( -4.334 -0.200 0.114) 4.340 1.906 ( -7.252 -0.578 1.835) 7.503 2.078 ( -0.342 0.020 0.956) 1.015 2.692 ( -2.766 -1.016 4.134) 5.077 3.127 ( 6.914 -6.087 -9.868) 13.499 3.812 ( 28.531 -3.103 -14.085) 31.969 4.604 ( -30.765 -45.745 -1.492) 55.148 5.522 ( -7.762 -0.097 -3.416) 8.481 6.103 ( 17.827 11.943 9.239) 23.363 6.422 ( -15.897 20.566 5.082) 26.486 7.264 ( 5.801 4.142 1.141) 7.219 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -4.277 3.647 -5.356) 7.765 1.605 ( -0.023 1.536 3.056) 3.421 1.792 ( -6.009 0.201 1.824) 6.283 2.091 ( 1.448 -0.324 2.264) 2.707 2.657 ( -2.536 -2.000 4.822) 5.803 3.053 ( -3.833 -7.239 -10.422) 13.255 3.674 ( -22.491 -44.651 8.876) 50.777 4.227 ( 33.354 -9.575 -20.083) 40.093 5.395 ( -7.571 2.216 -0.736) 7.923 6.344 ( -12.244 17.793 6.665) 22.604 6.539 ( 13.134 8.482 3.441) 16.009 7.346 ( -3.095 5.639 1.745) 6.665 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.000 -5.168 -9.294) 10.634 1.481 ( -0.000 -0.667 -2.995) 3.068 1.824 ( -0.000 0.890 -0.026) 0.890 1.959 ( 0.000 2.426 3.196) 4.013 2.205 ( 0.000 -5.524 6.031) 8.179 3.211 ( -0.000 6.993 -1.822) 7.227 3.830 ( -0.000 23.946 -14.936) 28.223 4.267 ( 0.000 16.116 33.663) 37.322 5.752 ( -0.000 -7.331 -15.489) 17.136 5.776 ( 0.000 -17.088 -3.537) 17.450 6.489 ( 0.000 -10.385 1.802) 10.541 7.527 ( -0.000 8.327 2.303) 8.640 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 3.576 -2.739 -2.944) 5.381 1.577 ( 12.391 0.072 -2.588) 12.658 1.838 ( 1.400 -0.361 0.499) 1.529 2.012 ( 2.621 2.059 1.662) 3.725 2.174 ( -0.324 -3.859 5.280) 6.548 3.206 ( -6.798 4.175 -1.628) 8.142 3.964 ( -6.307 25.288 -11.727) 28.580 4.631 ( 14.099 2.274 9.945) 17.403 5.271 ( -20.041 0.237 -2.980) 20.263 5.857 ( 9.772 -19.179 1.442) 21.574 6.483 ( 7.310 -4.007 -0.692) 8.365 7.574 ( -3.193 5.014 2.150) 6.321 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 5.988 -0.038 1.266) 6.121 1.819 ( 8.495 2.730 -1.893) 9.121 1.888 ( 11.699 -2.079 -0.529) 11.894 2.086 ( 2.922 1.515 -0.298) 3.305 2.169 ( 1.338 -2.216 6.347) 6.854 3.036 ( -15.395 0.946 -0.927) 15.451 3.966 ( -15.773 15.378 -7.627) 23.312 4.624 ( 0.654 -3.510 -12.872) 13.358 5.370 ( 10.599 15.695 7.882) 20.513 5.789 ( 7.581 -23.603 6.480) 25.624 6.599 ( 6.402 1.234 0.029) 6.520 7.526 ( -6.842 0.677 1.097) 6.962 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 5.673 1.527 2.539) 6.400 1.843 ( -1.241 -0.611 -1.058) 1.742 2.083 ( 2.635 -0.950 -4.599) 5.385 2.135 ( 3.488 -1.802 -1.227) 4.113 2.291 ( 16.052 -0.126 6.338) 17.258 2.799 ( -14.980 6.807 8.671) 18.599 3.719 ( -19.991 5.509 -1.894) 20.822 4.722 ( 9.799 10.042 -11.323) 18.030 5.593 ( 1.745 -6.697 11.590) 13.499 5.863 ( 22.319 -6.839 -5.367) 23.952 6.672 ( -1.022 1.660 1.889) 2.715 7.364 ( -10.885 -2.448 -1.519) 11.259 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 4.149 2.443 3.173) 5.766 1.781 ( -2.802 -2.285 -1.805) 4.042 2.066 ( 0.860 -2.081 -2.932) 3.697 2.122 ( 0.045 -3.012 -1.009) 3.177 2.612 ( 15.993 1.264 1.137) 16.083 2.767 ( -6.621 11.221 15.267) 20.071 3.458 ( -15.918 5.141 1.702) 16.814 5.003 ( 15.124 8.211 0.180) 17.210 5.545 ( 0.990 -12.817 7.367) 14.816 6.156 ( 16.029 -2.390 -10.902) 19.532 6.574 ( -8.110 -4.413 -0.277) 9.237 7.160 ( -10.288 2.837 -2.478) 10.956 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 2.537 2.063 3.912) 5.099 1.721 ( -1.128 -2.039 -2.161) 3.177 2.062 ( 2.158 -3.839 -2.529) 5.079 2.085 ( -2.065 -0.161 0.688) 2.182 2.788 ( 1.628 5.938 0.878) 6.219 2.825 ( 0.736 -1.824 4.447) 4.862 3.368 ( -2.421 8.368 4.515) 9.812 5.290 ( 4.559 -30.662 22.050) 38.041 5.422 ( 3.633 4.423 -4.749) 7.437 6.044 ( -14.816 4.269 -16.659) 22.699 6.593 ( 11.536 -1.454 -1.955) 11.790 7.098 ( -3.821 10.182 -0.968) 10.919 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 2.076 1.818 3.262) 4.273 1.676 ( -1.743 -1.074 -2.003) 2.864 2.000 ( -3.691 -3.526 0.765) 5.161 2.081 ( 0.086 0.090 -0.217) 0.250 2.761 ( -5.381 -1.265 5.399) 7.727 2.871 ( 7.120 -3.044 -7.279) 10.628 3.519 ( 7.947 7.530 -0.404) 10.955 4.633 ( -27.235 -48.262 0.521) 55.419 5.566 ( 1.668 -4.962 5.013) 7.248 6.056 ( 5.649 19.823 -3.988) 20.994 6.703 ( 0.161 2.969 0.281) 2.987 7.227 ( 5.845 11.576 -0.299) 12.972 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.725 3.076 -2.244) 3.876 1.640 ( -1.200 0.353 1.778) 2.173 1.895 ( -5.488 -2.112 1.634) 6.103 2.080 ( 0.252 -0.478 0.924) 1.070 2.696 ( -2.958 -1.747 5.843) 6.778 2.900 ( 5.701 -7.750 -11.729) 15.171 3.658 ( -27.617 -50.152 4.012) 57.394 3.739 ( 12.956 2.559 -6.999) 14.946 5.519 ( -4.069 1.577 -1.189) 4.523 6.360 ( 11.038 8.810 3.960) 14.667 6.686 ( -6.042 5.396 -0.327) 8.108 7.439 ( 3.703 11.645 1.690) 12.336 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 0.074 2.815) 2.816 1.459 ( -0.000 -0.016 -0.566) 0.566 1.825 ( 0.000 -0.403 0.957) 1.038 2.000 ( 0.000 0.189 0.419) 0.460 2.153 ( 0.000 -3.407 3.770) 5.082 3.301 ( -0.000 3.121 -1.110) 3.312 4.261 ( -0.000 27.890 -11.570) 30.195 4.519 ( -0.000 -4.626 -5.556) 7.229 5.396 ( 0.000 -19.584 1.924) 19.678 5.645 ( 0.000 2.850 7.622) 8.137 6.371 ( 0.000 -3.018 1.843) 3.536 7.642 ( 0.000 1.964 1.075) 2.239 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 3.034 3.073 6.921) 8.158 1.582 ( 13.358 1.541 0.525) 13.457 1.833 ( 0.729 -0.321 0.643) 1.024 2.028 ( 3.576 -0.951 -1.014) 3.837 2.142 ( 0.511 -2.349 3.412) 4.174 3.249 ( -7.903 0.849 -0.617) 7.972 4.343 ( -11.096 3.168 -5.812) 12.920 4.439 ( 5.415 1.828 -18.373) 19.241 5.314 ( 7.878 -6.031 -2.383) 10.204 5.665 ( -6.592 1.119 16.598) 17.894 6.473 ( 9.934 1.743 3.241) 10.594 7.614 ( -3.832 -1.588 -0.244) 4.155 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 4.103 3.670 6.287) 8.357 1.836 ( 0.607 -1.638 -0.533) 1.826 1.884 ( 16.266 2.848 -1.337) 16.568 2.060 ( 2.690 -3.395 -2.185) 4.851 2.160 ( 3.026 -1.387 5.664) 6.570 3.108 ( -9.409 3.895 4.858) 11.283 4.082 ( -13.970 -3.894 2.488) 14.714 4.584 ( 9.391 10.687 -15.582) 21.099 5.347 ( 9.085 -22.745 4.007) 24.818 5.703 ( 0.566 14.785 1.318) 14.854 6.658 ( 5.705 2.034 4.380) 7.475 7.481 ( -7.665 -4.255 -2.754) 9.189 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 4.281 3.464 4.371) 7.031 1.786 ( -2.507 -3.867 -3.214) 5.619 1.975 ( 2.760 -6.806 -5.078) 8.929 2.087 ( 1.732 -0.470 -1.365) 2.255 2.366 ( 15.405 3.083 7.483) 17.402 3.091 ( -6.310 9.909 12.670) 17.278 3.850 ( -18.016 6.541 11.179) 22.188 4.815 ( 11.774 5.220 -2.261) 13.077 5.292 ( 12.947 -25.295 3.902) 28.683 5.912 ( 8.365 13.442 -10.626) 19.068 6.655 ( -6.841 -5.215 -1.149) 8.678 7.305 ( -6.778 -0.634 -3.668) 7.733 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 3.324 2.327 3.249) 5.198 1.694 ( -0.852 -4.513 -3.429) 5.731 1.948 ( 3.481 -6.722 -3.064) 8.167 2.092 ( 0.147 0.105 -1.263) 1.275 2.637 ( 10.897 0.853 1.410) 11.021 3.093 ( -9.250 6.474 11.699) 16.259 3.700 ( -18.791 17.019 15.007) 29.461 4.976 ( 8.381 -24.809 22.628) 34.608 5.337 ( 9.639 -3.713 -7.347) 12.676 6.142 ( 9.681 9.515 -13.092) 18.859 6.387 ( -7.107 -7.783 -11.156) 15.347 7.243 ( -3.175 5.305 -1.424) 6.344 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 2.598 0.936 3.648) 4.575 1.653 ( 0.901 -2.467 -3.506) 4.381 1.930 ( 3.135 -6.848 -2.448) 7.920 2.089 ( -0.271 0.403 -1.062) 1.168 2.733 ( 2.387 -2.203 -3.562) 4.821 3.008 ( -10.694 3.230 11.627) 16.124 3.668 ( -11.145 17.800 12.249) 24.313 4.580 ( -19.409 -45.246 3.102) 49.331 5.455 ( 6.846 -4.160 7.374) 10.888 6.219 ( -3.516 19.645 -11.431) 22.999 6.485 ( 20.132 -4.979 -5.890) 21.558 7.279 ( 1.103 7.833 -1.633) 8.078 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 6.966 12.928) 14.685 1.478 ( 0.000 1.860 1.209) 2.219 1.831 ( 0.000 0.052 1.109) 1.110 1.968 ( -0.000 -2.628 -2.459) 3.598 2.134 ( 0.000 -0.685 2.181) 2.286 3.310 ( 0.000 -1.546 -0.457) 1.612 4.093 ( -0.000 -19.160 -35.534) 40.370 4.514 ( 0.000 -8.300 10.725) 13.562 5.256 ( -0.000 14.766 -9.962) 17.812 5.885 ( 0.000 6.723 21.167) 22.209 6.396 ( 0.000 3.284 3.593) 4.868 7.616 ( 0.000 -4.482 -1.097) 4.614 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -1.017 6.858 11.492) 13.421 1.648 ( 13.849 3.204 3.942) 14.751 1.829 ( -0.225 -0.530 -0.920) 1.085 1.962 ( 3.363 -3.817 -2.658) 5.740 2.145 ( 0.581 0.321 2.873) 2.948 3.224 ( -4.695 -3.070 -0.941) 5.688 3.891 ( 12.395 -17.928 -27.720) 35.262 4.458 ( 6.064 -16.291 12.340) 21.318 5.340 ( -10.140 17.157 -6.531) 20.972 5.915 ( -7.343 10.290 9.991) 16.113 6.570 ( 9.564 4.040 5.799) 11.892 7.517 ( -4.252 -6.957 -2.707) 8.591 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.674 5.532 7.658) 9.471 1.774 ( -2.556 -4.389 -3.608) 6.230 1.826 ( 4.421 -6.797 -3.242) 8.732 2.034 ( 6.028 2.717 -0.268) 6.617 2.227 ( 8.228 2.769 8.701) 12.291 3.199 ( 1.980 0.411 4.463) 4.900 3.936 ( 14.534 -8.764 -0.661) 16.984 4.550 ( 20.793 -14.038 -2.260) 25.190 5.164 ( -21.310 4.629 8.344) 23.349 5.995 ( -1.136 16.609 -6.097) 17.729 6.689 ( -1.394 -1.644 0.721) 2.272 7.355 ( -4.430 -5.272 -3.392) 7.676 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 1.336 3.477 4.664) 5.969 1.640 ( -1.496 -7.744 -4.929) 9.300 1.811 ( 3.338 -6.615 -2.310) 7.761 2.091 ( 0.277 1.916 -1.763) 2.618 2.483 ( 11.420 2.939 6.149) 13.299 3.220 ( -1.367 -3.640 5.293) 6.568 4.183 ( 3.126 12.406 25.281) 28.334 4.770 ( 9.630 -28.458 1.898) 30.103 4.949 ( 6.659 9.067 2.093) 11.443 6.070 ( -2.036 5.224 -11.597) 12.881 6.501 ( -11.387 -0.065 -11.416) 16.125 7.292 ( -0.349 -0.034 -0.280) 0.449 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 2.123 -1.644 3.525) 4.431 1.587 ( 2.230 -2.287 -3.177) 4.505 1.797 ( 3.478 -6.319 -1.902) 7.460 2.098 ( -0.544 1.681 -2.015) 2.680 2.650 ( 5.404 -0.608 -0.089) 5.439 3.145 ( -3.447 -6.033 6.967) 9.840 4.292 ( -24.695 24.388 20.875) 40.502 4.432 ( -7.649 -35.143 6.977) 36.637 5.315 ( 12.415 -1.237 7.419) 14.515 6.010 ( 17.402 -9.564 -16.483) 25.807 6.433 ( -4.389 18.271 -12.200) 22.404 7.298 ( 0.725 0.327 0.088) 0.801 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 9.153 16.628) 18.981 1.547 ( 0.000 3.309 2.965) 4.443 1.826 ( -0.000 -1.387 -0.527) 1.484 1.876 ( -0.000 -3.697 -4.184) 5.583 2.160 ( 0.000 1.606 2.146) 2.680 3.234 ( 0.000 -6.368 -0.210) 6.371 3.384 ( -0.000 -22.816 -42.968) 48.650 4.267 ( 0.000 -23.565 24.770) 34.189 5.651 ( -0.000 28.851 -14.605) 32.337 6.124 ( 0.000 3.300 16.142) 16.476 6.537 ( 0.000 7.747 5.021) 9.232 7.465 ( 0.000 -9.114 -2.944) 9.578 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -4.857 7.065 10.827) 13.810 1.693 ( 4.727 -3.949 1.427) 6.322 1.767 ( -3.339 -4.719 -3.291) 6.652 1.928 ( 10.300 4.104 1.571) 11.198 2.195 ( 1.774 1.556 5.083) 5.604 3.094 ( 6.991 -8.107 -8.519) 13.681 3.346 ( 23.519 -16.611 -25.314) 38.339 4.198 ( 6.040 -19.682 24.944) 32.343 5.695 ( -19.464 18.849 -1.319) 27.127 6.160 ( -2.762 10.207 0.342) 10.580 6.690 ( 3.062 4.939 3.406) 6.736 7.333 ( -2.545 -8.964 -3.262) 9.872 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -3.500 4.503 7.403) 9.345 1.560 ( -2.458 -11.148 -6.043) 12.917 1.710 ( 1.378 -4.504 -1.337) 4.896 2.102 ( 1.719 4.598 -1.927) 5.273 2.349 ( 10.524 1.262 9.855) 14.473 3.132 ( 4.738 -10.510 2.002) 11.701 3.778 ( 48.814 -3.817 -13.609) 50.820 4.249 ( 9.231 -16.060 21.226) 28.172 5.449 ( -26.877 12.916 9.496) 31.295 6.169 ( -7.340 4.103 -11.178) 13.988 6.659 ( -8.571 4.835 -5.833) 11.439 7.262 ( 1.994 -3.379 0.788) 4.002 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -0.025 -9.411 -0.940) 9.458 1.542 ( 1.616 1.395 2.407) 3.217 1.694 ( 2.110 -3.553 -1.225) 4.310 2.127 ( -1.067 3.055 -2.411) 4.035 2.533 ( 7.956 -2.537 4.101) 9.303 3.082 ( 2.449 -12.076 2.322) 12.539 4.189 ( 4.135 -27.673 -0.048) 27.980 4.638 ( 32.696 13.928 18.499) 40.066 5.232 ( -11.544 12.308 9.993) 19.612 5.838 ( -16.697 -10.557 -17.175) 26.177 6.628 ( -4.141 15.903 -9.437) 18.950 7.275 ( 0.964 -2.910 2.695) 4.081 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 -4.685 0.601) 4.723 1.654 ( 0.000 8.310 14.776) 16.952 1.750 ( 0.000 -5.838 -1.955) 6.156 1.846 ( -0.000 5.034 1.242) 5.185 2.216 ( 0.000 1.752 3.299) 3.735 2.675 ( -0.000 -17.934 -37.292) 41.380 3.033 ( 0.000 -14.650 -1.591) 14.736 4.096 ( 0.000 -12.186 27.675) 30.239 6.056 ( -0.000 21.594 -10.404) 23.969 6.238 ( 0.000 -0.159 7.273) 7.275 6.752 ( 0.000 10.576 4.443) 11.471 7.242 ( -0.000 -10.824 -4.106) 11.577 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -3.146 -12.269 -6.038) 14.032 1.611 ( -6.559 -2.852 4.750) 8.586 1.684 ( -3.494 2.730 3.239) 5.491 2.084 ( 8.502 7.783 1.659) 11.645 2.245 ( 3.680 -2.846 7.741) 9.031 2.827 ( 40.583 -3.894 -15.807) 43.727 2.915 ( 8.121 -19.357 -5.531) 21.708 4.145 ( 3.505 -4.428 25.560) 26.177 5.973 ( -20.471 7.112 3.504) 21.953 6.272 ( -3.223 5.200 -9.404) 11.219 6.835 ( -5.207 8.951 0.276) 10.359 7.162 ( 4.411 -6.192 -0.841) 7.649 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -2.121 -14.250 -5.811) 15.534 1.547 ( -0.205 -4.653 3.975) 6.123 1.685 ( -1.988 4.552 3.080) 5.845 2.169 ( -1.011 3.503 -2.662) 4.515 2.360 ( 9.468 -6.549 5.784) 12.884 2.843 ( 8.742 -18.254 -2.659) 20.413 3.589 ( 42.657 -5.057 -6.737) 43.480 4.349 ( 14.764 6.725 24.655) 29.513 5.608 ( -23.421 -4.739 -4.710) 24.355 6.099 ( -16.946 4.640 -6.037) 18.579 6.822 ( -5.686 11.868 -2.641) 13.422 7.223 ( 3.994 -2.090 2.538) 5.173 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.000 -14.354 -7.711) 16.294 1.569 ( 0.000 -11.413 -2.053) 11.596 1.896 ( 0.000 8.145 7.744) 11.239 2.027 ( 0.000 3.857 5.470) 6.693 2.256 ( 0.000 -1.300 5.239) 5.398 2.314 ( -0.000 5.435 -9.716) 11.132 2.640 ( 0.000 -23.942 -1.985) 24.025 4.205 ( 0.000 3.488 22.920) 23.183 6.231 ( -0.000 -2.332 -1.993) 3.068 6.317 ( -0.000 10.678 -4.222) 11.482 6.963 ( -0.000 0.942 -1.627) 1.880 7.039 ( -0.000 0.936 -0.347) 0.998 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -4.089 -16.307 -8.903) 19.024 1.465 ( 2.026 -11.398 0.523) 11.588 1.864 ( -8.910 7.561 6.921) 13.582 2.150 ( 8.985 -4.412 0.631) 10.030 2.209 ( -1.670 0.961 0.568) 2.009 2.441 ( 9.594 -24.885 -5.597) 27.251 2.898 ( 39.497 11.111 9.071) 42.021 4.370 ( 3.783 9.489 20.299) 22.724 5.929 ( -25.586 -8.028 -9.686) 28.511 6.330 ( -6.250 5.608 -2.904) 8.886 6.964 ( 2.247 0.639 1.114) 2.588 7.142 ( 3.470 6.261 0.210) 7.162 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.000 -16.728 -9.919) 19.448 1.281 ( 0.000 -16.386 -3.201) 16.695 2.038 ( 0.000 -20.105 0.219) 20.106 2.044 ( -0.000 1.104 -0.084) 1.108 2.092 ( -0.000 -1.562 -0.736) 1.727 2.297 ( 0.000 -4.471 5.806) 7.328 2.684 ( 0.000 19.805 20.310) 28.368 4.516 ( 0.000 13.172 16.120) 20.817 6.133 ( -0.000 -2.911 -9.766) 10.190 6.390 ( -0.000 0.670 -7.996) 8.024 6.816 ( 0.000 -7.317 3.679) 8.190 7.238 ( -0.000 10.348 1.181) 10.415 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 0.000 -0.000 14.148) 14.148 0.332 ( 0.000 -0.000 14.148) 14.148 0.732 ( 0.000 -0.000 32.848) 32.848 2.095 ( -0.000 0.000 -3.144) 3.144 2.095 ( -0.000 0.000 -3.144) 3.144 2.782 ( -0.000 0.000 -2.323) 2.323 3.314 ( -0.000 0.000 -23.596) 23.596 3.314 ( -0.000 0.000 -23.596) 23.596 6.022 ( 0.000 -0.000 5.053) 5.053 6.022 ( 0.000 -0.000 5.053) 5.053 6.855 ( 0.000 -0.000 1.073) 1.073 7.557 ( -0.000 0.000 -0.760) 0.760 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 4.741 2.737 10.276) 11.643 0.520 ( 7.113 4.107 12.225) 14.728 1.148 ( 22.173 12.802 20.983) 33.103 2.058 ( -2.420 -1.397 -4.338) 5.160 2.086 ( -0.144 -0.083 -3.221) 3.226 2.569 ( -1.458 -0.842 6.599) 6.810 3.503 ( 11.574 6.683 -13.711) 19.147 4.167 ( 45.772 26.426 -64.025) 83.022 5.736 ( -21.970 -12.684 12.666) 28.355 5.829 ( -10.062 -5.810 0.395) 11.626 7.079 ( 7.980 4.607 -0.868) 9.255 7.541 ( -0.574 -0.331 1.568) 1.702 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 10.198 5.888 6.168) 13.293 0.740 ( 9.545 5.511 3.487) 11.561 1.626 ( 11.058 6.385 0.430) 12.776 2.069 ( -0.332 -0.192 -2.436) 2.465 2.071 ( 8.888 5.131 6.565) 12.183 2.624 ( 3.029 1.749 6.524) 7.402 3.709 ( 7.563 4.367 3.202) 9.302 4.776 ( 30.377 17.538 -43.617) 55.972 5.392 ( -12.742 -7.356 13.291) 19.827 5.619 ( -6.547 -3.780 -5.458) 9.325 7.018 ( -10.037 -5.795 -9.828) 15.196 7.547 ( -1.708 -0.986 6.049) 6.362 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 11.729 6.771 3.368) 13.955 0.956 ( 9.545 5.511 -2.639) 11.334 1.677 ( 0.779 0.450 -9.275) 9.319 2.057 ( -0.182 -0.105 -1.044) 1.065 2.445 ( 15.584 8.997 9.166) 20.195 2.730 ( 4.227 2.440 6.194) 7.886 3.803 ( -4.443 -2.565 23.153) 23.714 5.223 ( 2.014 1.163 11.088) 11.329 5.289 ( 15.875 9.165 -22.563) 29.071 5.567 ( 5.758 3.325 -11.789) 13.535 6.659 ( -14.869 -8.585 -16.072) 23.518 7.464 ( -7.546 -4.357 4.968) 10.030 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 10.702 6.179 0.352) 12.363 1.143 ( 8.607 4.969 -6.034) 11.627 1.685 ( 2.681 1.548 -6.207) 6.936 2.053 ( -0.058 -0.034 0.188) 0.199 2.722 ( 7.326 4.230 3.340) 9.095 2.845 ( 3.768 2.175 4.498) 6.258 3.682 ( -15.012 -8.667 36.121) 40.065 5.235 ( 0.522 0.301 6.608) 6.635 5.336 ( -15.562 -8.984 -19.375) 26.425 5.781 ( 16.032 9.256 -12.794) 22.503 6.544 ( 14.398 8.313 -8.973) 18.892 7.264 ( -11.222 -6.479 2.910) 13.281 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 7.320 4.226 -7.816) 11.512 1.321 ( 8.513 4.915 -2.238) 10.081 1.746 ( 3.914 2.260 -1.812) 4.869 2.050 ( -0.491 -0.284 0.537) 0.781 2.824 ( 0.551 0.318 5.095) 5.135 2.905 ( 1.209 0.698 -2.243) 2.642 3.441 ( -18.428 -10.639 40.463) 45.717 4.643 ( -31.711 -18.308 -22.986) 43.233 5.322 ( 4.384 2.531 2.457) 5.627 6.121 ( 17.023 9.828 -10.729) 22.393 6.981 ( 2.281 1.317 -3.513) 4.390 7.040 ( 8.971 5.179 5.212) 11.596 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 5.655 3.265 -8.519) 10.733 1.474 ( 6.200 3.580 -3.858) 8.133 1.838 ( 4.071 2.350 1.575) 4.957 2.028 ( -1.732 -1.000 -0.198) 2.009 2.775 ( -6.116 -3.531 -2.834) 7.609 2.879 ( -2.807 -1.621 2.350) 4.004 3.166 ( -19.017 -10.979 38.629) 44.434 3.986 ( -16.757 -9.674 -14.197) 23.999 5.433 ( 4.785 2.763 -0.947) 5.606 6.419 ( 12.359 7.136 -9.508) 17.149 6.748 ( -10.227 -5.904 -0.655) 11.827 7.468 ( 15.156 8.750 1.996) 17.614 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.441 2.564 -7.554) 9.130 1.573 ( 4.227 2.440 -4.874) 6.897 1.904 ( 0.325 0.188 0.531) 0.650 1.968 ( -3.275 -1.891 -1.731) 4.159 2.559 ( -7.510 -4.336 -9.087) 12.561 2.873 ( -18.806 -10.858 32.812) 39.347 2.900 ( 3.495 2.018 11.836) 12.505 3.854 ( 5.256 3.034 1.157) 6.178 5.497 ( 0.855 0.494 -4.361) 4.472 6.569 ( -4.767 -2.752 -1.353) 5.668 6.586 ( 5.477 3.162 -9.159) 11.130 7.681 ( 3.631 2.096 -0.590) 4.234 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 5.059 2.921 -4.860) 7.599 1.631 ( 2.660 1.536 -5.146) 5.993 1.857 ( -3.470 -2.003 -0.198) 4.011 1.880 ( -3.161 -1.825 -3.884) 5.330 2.439 ( -0.936 -0.541 -9.973) 10.032 2.573 ( -17.301 -9.989 25.615) 32.484 3.075 ( 5.410 3.123 11.467) 13.059 4.191 ( 22.189 12.811 16.826) 30.653 5.403 ( -7.223 -4.170 -10.214) 13.187 6.549 ( 3.471 2.004 -1.859) 4.419 6.599 ( -1.188 -0.686 -8.378) 8.489 7.636 ( -6.656 -3.843 -2.139) 7.978 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -2.114 -1.220 0.062) 2.442 1.672 ( 3.890 2.246 0.235) 4.498 1.780 ( -2.801 -1.617 -0.043) 3.235 1.846 ( 3.968 2.291 -10.051) 11.046 2.303 ( -13.577 -7.839 18.389) 24.165 2.416 ( 1.840 1.062 -11.436) 11.632 3.137 ( -2.850 -1.646 5.630) 6.521 4.887 ( 28.252 16.311 18.518) 37.512 5.130 ( -9.428 -5.443 -12.745) 16.762 6.490 ( -5.741 -3.315 -5.854) 8.844 6.680 ( 8.108 4.681 -2.976) 9.825 7.410 ( -12.175 -7.029 0.000) 14.058 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -9.885 -5.707 5.781) 12.795 1.657 ( -5.446 -3.144 6.469) 9.022 1.810 ( 4.594 2.652 -1.239) 5.447 2.002 ( 11.807 6.817 -14.023) 19.558 2.133 ( -4.665 -2.693 10.315) 11.636 2.415 ( 1.393 0.804 -12.468) 12.571 2.993 ( -11.474 -6.625 2.004) 13.400 4.715 ( -11.878 -6.858 -26.566) 29.898 5.691 ( 27.411 15.826 21.692) 38.371 6.328 ( -7.057 -4.074 -1.076) 8.219 6.853 ( 7.847 4.531 -4.163) 9.971 7.147 ( -10.821 -6.247 4.306) 13.216 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -13.911 -8.032 8.662) 18.250 1.521 ( -9.095 -5.251 6.417) 12.308 1.923 ( 5.576 3.219 1.670) 6.652 2.038 ( -1.022 -0.590 1.912) 2.246 2.350 ( 17.737 10.240 -14.584) 25.143 2.365 ( -2.037 -1.176 -13.152) 13.360 2.633 ( -20.701 -11.952 -0.615) 23.911 4.463 ( -0.857 -0.495 -24.153) 24.173 6.193 ( -5.332 -3.079 4.957) 7.904 6.220 ( 13.073 7.548 13.259) 20.092 6.920 ( -3.766 -2.174 5.638) 7.120 7.066 ( 5.714 3.299 -4.309) 7.881 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 14.690 6.462) 16.049 0.605 ( 0.000 11.833 11.915) 16.793 1.181 ( 0.000 19.332 24.266) 31.025 2.058 ( -0.000 -0.652 -3.262) 3.327 2.072 ( -0.000 -0.856 -5.638) 5.702 2.587 ( 0.000 -5.713 8.638) 10.356 2.830 ( -0.000 -13.608 -31.653) 34.454 4.356 ( -0.000 61.353 -45.768) 76.543 5.595 ( 0.000 -22.662 -3.775) 22.974 6.208 ( 0.000 5.139 7.246) 8.883 6.951 ( 0.000 0.701 4.608) 4.661 7.523 ( 0.000 -3.262 0.423) 3.289 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -1.933 18.220 5.718) 19.194 0.758 ( 1.442 11.383 8.511) 14.286 1.569 ( 9.248 15.858 10.273) 21.037 1.985 ( 0.135 -3.390 -3.507) 4.879 2.079 ( 2.941 2.834 -0.365) 4.100 2.581 ( 2.987 -2.790 6.082) 7.328 3.081 ( 42.759 -13.885 -18.849) 48.749 4.672 ( 2.195 26.245 -26.096) 37.076 5.374 ( -4.436 -4.929 -11.961) 13.677 6.022 ( -21.997 8.271 8.930) 25.140 7.014 ( 0.419 -6.207 -5.517) 8.315 7.516 ( 2.996 -4.861 4.223) 7.102 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.710 13.193 8.798) 15.873 0.946 ( 4.186 14.102 -0.993) 14.743 1.656 ( -1.920 1.393 -8.932) 9.242 2.020 ( 3.341 -1.083 -1.688) 3.897 2.343 ( 13.270 12.544 10.790) 21.210 2.651 ( 6.366 -3.407 5.628) 9.155 3.633 ( 32.761 -4.415 1.675) 33.100 4.766 ( 13.254 -14.919 -9.028) 21.903 5.325 ( -4.120 14.862 -7.549) 17.171 5.847 ( -14.574 16.844 0.799) 22.288 6.777 ( -13.117 -7.249 -14.805) 21.066 7.499 ( -1.254 -7.694 4.589) 9.046 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 4.307 8.189 4.366) 10.231 1.145 ( 4.089 13.955 -3.631) 14.988 1.631 ( 1.935 1.131 -7.460) 7.790 2.054 ( 1.302 1.587 -1.375) 2.471 2.629 ( 7.291 1.738 6.583) 9.976 2.786 ( 8.193 1.690 4.011) 9.277 3.936 ( -1.254 0.116 23.566) 23.600 4.914 ( 28.707 -18.308 -12.686) 36.335 5.357 ( -3.765 0.925 -5.385) 6.636 5.782 ( -12.575 10.140 0.472) 16.161 6.541 ( -2.191 12.461 -14.983) 19.610 7.354 ( -7.189 -9.529 2.663) 12.230 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 5.545 5.160 -1.349) 7.693 1.322 ( 3.816 11.799 -3.565) 12.903 1.686 ( 4.555 2.196 -3.136) 5.951 2.081 ( -0.606 3.114 -0.866) 3.288 2.739 ( 6.604 -4.906 5.630) 9.969 2.899 ( 1.088 1.899 -0.133) 2.193 3.865 ( -16.215 1.163 29.628) 33.795 4.895 ( -27.113 -20.840 -23.256) 41.356 5.149 ( 14.600 -5.866 -5.661) 16.722 5.901 ( 13.103 10.749 2.562) 17.140 6.838 ( 15.705 20.375 -3.670) 25.986 7.116 ( -9.998 -10.203 1.485) 14.362 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 5.286 2.482 -5.497) 8.020 1.474 ( 2.975 10.135 -3.127) 11.015 1.789 ( 5.055 2.703 0.831) 5.793 2.082 ( -2.472 3.075 -0.889) 4.045 2.802 ( 3.393 -4.786 6.389) 8.674 2.852 ( -5.059 -3.199 -3.868) 7.127 3.686 ( -21.172 6.417 27.763) 35.500 4.148 ( -25.210 -16.751 -17.275) 34.851 5.293 ( 10.274 -3.263 -2.966) 11.180 6.253 ( 14.123 11.031 -5.424) 18.723 6.844 ( -10.375 -9.023 -0.812) 13.774 7.285 ( 17.003 10.196 2.648) 20.002 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 4.939 -0.324 -7.673) 9.131 1.592 ( 1.402 8.973 -2.749) 9.489 1.883 ( 2.009 0.978 1.345) 2.608 2.053 ( -3.854 3.166 -1.340) 5.164 2.634 ( -10.259 -4.630 -8.244) 13.951 2.844 ( 3.092 -2.251 10.594) 11.263 3.482 ( -27.780 13.287 27.240) 41.113 3.775 ( 0.645 -5.756 -4.857) 7.559 5.405 ( 7.258 -2.497 -4.089) 8.697 6.479 ( 3.688 3.123 -10.054) 11.155 6.630 ( -3.666 -2.761 -0.153) 4.592 7.572 ( 9.685 0.271 1.283) 9.774 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 6.208 -1.668 -7.959) 10.231 1.674 ( -0.112 7.207 -1.394) 7.342 1.861 ( -2.870 -2.241 -0.090) 3.642 2.007 ( -5.281 3.878 -2.044) 6.863 2.453 ( -4.805 0.377 -9.169) 10.359 2.955 ( -1.578 5.868 13.850) 15.125 3.252 ( -23.740 15.513 22.980) 36.501 3.965 ( 20.565 4.076 10.187) 23.309 5.418 ( -1.493 -2.832 -7.549) 8.199 6.387 ( 1.613 -9.438 -9.258) 13.319 6.671 ( -0.410 6.816 -3.179) 7.532 7.619 ( 0.645 -7.642 -0.963) 7.729 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 8.147 -1.504 -7.171) 10.957 1.702 ( -2.171 0.484 2.970) 3.711 1.787 ( -3.562 -1.681 0.917) 4.044 1.957 ( -4.040 6.719 -4.083) 8.839 2.393 ( -0.966 3.550 -10.446) 11.075 2.856 ( -28.774 22.690 17.404) 40.568 3.218 ( -4.273 4.110 9.293) 11.023 4.571 ( 33.068 10.710 19.560) 39.885 5.227 ( -12.043 -3.475 -13.000) 18.059 6.334 ( 6.950 -11.340 -11.199) 17.388 6.691 ( -1.527 4.072 -0.571) 4.386 7.475 ( -5.671 -10.355 -0.745) 11.830 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.637 -3.210 -0.729) 3.353 1.639 ( 2.256 -6.702 1.891) 7.320 1.714 ( -3.288 -1.899 1.248) 3.997 1.996 ( 1.003 8.635 -4.340) 9.716 2.387 ( -1.527 4.618 -9.082) 10.302 2.693 ( -28.551 34.809 13.276) 46.937 3.147 ( -9.470 -0.736 3.348) 10.071 4.786 ( -14.162 -5.398 -25.410) 29.586 5.404 ( 30.894 10.953 21.034) 38.946 6.261 ( 1.705 -13.406 -5.503) 14.591 6.733 ( 5.777 -1.501 -0.995) 6.052 7.278 ( -7.865 -4.866 1.570) 9.381 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -10.231 -10.499 7.717) 16.567 1.616 ( -4.253 -3.489 1.971) 5.844 1.744 ( 9.857 -3.347 -5.513) 11.780 2.093 ( 2.643 5.610 -0.751) 6.246 2.323 ( -8.180 3.898 -4.838) 10.272 2.701 ( -18.475 38.286 3.897) 42.688 2.904 ( -17.978 -0.796 -1.285) 18.041 4.436 ( -8.184 -0.867 -27.380) 28.590 5.972 ( 19.597 -6.652 4.435) 21.165 6.149 ( 3.424 -8.585 12.190) 15.298 6.843 ( 10.417 -2.733 -1.241) 10.841 7.152 ( -7.367 3.913 1.059) 8.409 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.000 17.731 0.020) 17.731 0.944 ( 0.000 14.429 10.008) 17.560 1.738 ( 0.000 22.210 14.951) 26.773 1.970 ( -0.000 -4.372 -7.639) 8.801 2.025 ( -0.000 -0.988 -4.003) 4.123 2.452 ( -0.000 -2.687 -17.665) 17.868 2.580 ( 0.000 -3.626 11.348) 11.913 4.666 ( 0.000 -13.706 -2.807) 13.990 5.457 ( -0.000 29.049 -35.130) 45.584 6.305 ( 0.000 0.320 4.243) 4.255 6.933 ( 0.000 -3.642 0.969) 3.769 7.439 ( 0.000 -6.963 3.511) 7.798 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.872 15.367 -0.406) 15.397 1.074 ( -3.644 15.135 7.590) 17.320 1.719 ( -8.513 -0.772 -9.014) 12.423 1.970 ( 1.114 3.221 0.593) 3.460 2.259 ( 17.102 11.281 5.459) 21.202 2.535 ( 3.420 -3.970 5.099) 7.311 2.911 ( 39.770 3.180 3.486) 40.049 4.468 ( 1.560 -25.604 1.288) 25.684 5.589 ( -7.074 28.491 -25.188) 38.681 6.204 ( -10.485 5.448 3.316) 12.273 6.842 ( -7.042 -4.287 -8.524) 11.859 7.410 ( 2.726 -9.399 4.673) 10.844 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -3.421 11.551 6.724) 13.797 1.224 ( 1.651 14.013 -2.518) 14.333 1.602 ( -1.080 0.366 -7.434) 7.521 2.031 ( 2.941 3.479 -2.368) 5.134 2.553 ( 5.052 -8.836 5.436) 11.539 2.653 ( 12.184 11.178 4.421) 17.116 3.723 ( 39.650 9.296 11.911) 42.431 4.294 ( 9.554 -24.999 -1.725) 26.818 5.507 ( -14.573 4.013 -12.128) 19.380 6.141 ( -11.836 10.809 3.792) 16.471 6.658 ( -5.664 8.759 -13.434) 17.008 7.333 ( -1.721 -11.523 2.274) 11.870 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -1.717 8.479 2.166) 8.918 1.372 ( 2.797 11.117 -1.314) 11.538 1.628 ( 3.575 3.346 -3.397) 5.959 2.105 ( 1.674 4.735 -2.947) 5.823 2.580 ( 7.051 -9.185 5.090) 12.648 2.886 ( 4.421 5.699 -0.002) 7.213 4.098 ( -0.308 -3.430 15.431) 15.811 4.542 ( 28.885 -8.403 -9.771) 31.630 5.109 ( -16.428 -10.348 -16.484) 25.469 6.038 ( -10.399 9.928 12.351) 18.954 6.815 ( 8.573 18.544 -5.761) 21.227 7.155 ( -6.450 -11.051 -0.450) 12.803 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.141 4.851 -2.317) 5.378 1.523 ( 2.724 10.343 0.287) 10.700 1.737 ( 5.098 4.437 0.270) 6.764 2.140 ( -1.146 3.129 -1.649) 3.718 2.662 ( 9.319 -5.621 3.258) 11.360 2.910 ( -4.157 0.752 -4.074) 5.869 4.082 ( -12.076 4.367 10.390) 16.519 4.236 ( -13.226 -26.860 -21.528) 36.876 5.129 ( 7.840 7.225 -0.370) 10.667 6.158 ( 7.669 10.145 7.103) 14.567 6.904 ( -8.207 -12.294 1.105) 14.823 7.157 ( 11.547 13.191 -0.507) 17.538 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.889 1.768 -5.436) 5.785 1.654 ( 1.445 8.744 0.834) 8.901 1.866 ( 3.724 4.456 1.610) 6.026 2.123 ( -2.449 1.170 -0.790) 2.827 2.742 ( -9.410 -3.153 -8.849) 13.297 2.792 ( 6.105 0.343 4.552) 7.623 3.665 ( -6.568 -13.878 -11.871) 19.407 4.092 ( -12.970 11.153 12.084) 20.943 5.269 ( 3.680 4.256 -0.262) 5.632 6.422 ( 7.697 7.654 -3.368) 11.365 6.655 ( -6.693 -9.247 0.947) 11.454 7.416 ( 9.414 1.061 2.743) 9.863 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 2.440 0.540 -6.750) 7.198 1.739 ( -0.023 5.009 1.894) 5.355 1.908 ( -3.014 2.488 -0.870) 4.004 2.089 ( -2.513 0.854 -0.210) 2.662 2.534 ( -7.689 0.895 -9.067) 11.922 2.965 ( 8.071 6.596 7.875) 13.064 3.658 ( 17.479 -4.967 1.436) 18.228 3.992 ( -23.686 22.270 13.227) 35.098 5.354 ( 3.195 1.988 -2.740) 4.655 6.317 ( -7.992 -9.041 -8.362) 14.681 6.691 ( 4.324 4.816 -0.652) 6.505 7.493 ( 3.740 -9.326 1.711) 10.193 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 4.810 1.024 -6.339) 8.022 1.749 ( -2.361 -1.687 3.878) 4.844 1.860 ( -4.611 2.540 -0.093) 5.265 2.047 ( -3.165 1.677 -0.786) 3.667 2.437 ( -3.657 5.194 -9.501) 11.429 3.180 ( 4.346 8.090 2.681) 9.567 3.841 ( -30.116 30.826 13.139) 45.054 4.128 ( 34.310 2.575 13.496) 36.958 5.348 ( -6.681 2.461 -5.566) 9.037 6.096 ( 0.083 -11.499 -13.042) 17.388 6.734 ( -1.655 -1.650 0.840) 2.483 7.409 ( -0.119 -12.119 0.683) 12.139 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 6.567 0.639 -5.880) 8.837 1.662 ( -5.473 -6.070 5.464) 9.831 1.787 ( -5.672 -0.216 1.112) 5.784 2.038 ( -0.276 3.223 -0.683) 3.306 2.431 ( -1.198 7.714 -9.007) 11.920 3.258 ( -2.967 4.380 -0.455) 5.310 3.698 ( -32.988 40.916 12.473) 54.017 4.739 ( 19.677 -0.727 -3.535) 20.005 5.179 ( -1.985 2.223 -0.644) 3.049 6.030 ( 7.593 -9.542 -8.885) 15.088 6.631 ( -0.983 -13.413 5.422) 14.501 7.313 ( -1.436 -4.306 0.384) 4.556 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -7.448 -9.390 4.736) 12.887 1.537 ( 5.193 0.552 -4.706) 7.030 1.696 ( -4.417 -0.984 1.141) 4.667 2.087 ( 2.468 2.624 0.890) 3.711 2.446 ( -3.507 7.335 -7.764) 11.241 3.143 ( -12.593 -1.503 0.344) 12.687 3.636 ( -31.503 47.930 10.351) 58.282 4.527 ( -15.078 -0.657 -27.632) 31.485 5.511 ( 25.547 -10.699 -1.346) 27.730 6.038 ( 3.674 -10.454 12.453) 16.669 6.603 ( 11.175 -8.354 3.775) 14.454 7.269 ( -3.074 1.737 -0.538) 3.571 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -0.000 15.338 -2.853) 15.601 1.254 ( -0.000 11.198 3.487) 11.728 1.763 ( -0.000 -7.494 -11.524) 13.746 1.930 ( -0.000 -2.549 -7.429) 7.855 2.250 ( 0.000 17.778 10.296) 20.544 2.602 ( 0.000 -2.467 12.998) 13.230 2.606 ( 0.000 17.349 17.909) 24.934 4.199 ( 0.000 -27.165 0.606) 27.172 5.853 ( -0.000 28.037 -25.248) 37.730 6.277 ( -0.000 -4.161 -1.813) 4.539 6.866 ( -0.000 0.075 -6.343) 6.344 7.306 ( 0.000 -10.138 5.827) 11.693 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.722 9.089 -4.981) 10.389 1.351 ( -0.884 10.559 2.451) 10.876 1.613 ( -2.723 -1.338 -6.408) 7.090 1.983 ( 6.322 -0.871 -5.337) 8.319 2.378 ( 1.880 -1.254 6.864) 7.226 2.676 ( 3.426 10.474 8.401) 13.857 3.235 ( 34.075 17.975 24.261) 45.528 3.977 ( 3.391 -23.086 0.243) 23.335 5.790 ( -18.847 4.701 -15.823) 25.054 6.290 ( 3.401 4.696 -5.717) 8.143 6.808 ( -5.562 7.601 -7.337) 11.939 7.234 ( 0.401 -11.099 3.813) 11.743 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.133 1.331 -4.605) 4.796 1.460 ( -0.289 11.903 4.222) 12.633 1.621 ( 1.539 5.819 -2.187) 6.404 2.074 ( 6.137 2.783 -6.276) 9.208 2.379 ( 4.036 -11.054 6.104) 13.256 2.884 ( 4.655 9.825 1.159) 10.934 3.839 ( 12.985 -17.479 -4.331) 22.201 4.135 ( 30.116 17.161 22.912) 41.550 5.300 ( -25.929 -10.397 -17.831) 33.141 6.313 ( -5.773 4.581 1.989) 7.633 6.860 ( 2.013 11.467 -1.911) 11.798 7.125 ( -2.375 -7.082 -1.544) 7.627 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.445 0.485 -2.656) 2.737 1.595 ( 0.675 10.946 5.026) 12.064 1.724 ( 3.368 7.153 0.208) 7.909 2.163 ( 1.502 3.019 -3.468) 4.837 2.403 ( 11.704 -9.964 0.267) 15.374 2.972 ( -2.126 4.273 -4.358) 6.463 3.867 ( 11.866 -16.647 -9.756) 22.652 4.447 ( -23.137 -1.558 -6.864) 24.184 5.036 ( 16.657 8.912 6.129) 19.860 6.267 ( -5.179 5.680 6.573) 10.113 6.876 ( -2.498 -12.725 3.265) 13.373 7.153 ( 3.963 13.298 -2.742) 14.144 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -0.524 0.546 -3.075) 3.167 1.711 ( 0.983 6.164 4.173) 7.508 1.869 ( 3.912 8.667 2.083) 9.735 2.156 ( -1.661 -0.964 0.458) 1.975 2.577 ( 15.435 -2.943 -5.006) 16.492 2.866 ( -8.597 -0.492 -8.754) 12.279 3.616 ( -10.849 -19.295 -14.843) 26.652 4.232 ( 0.654 8.037 -3.334) 8.725 5.385 ( 2.218 13.925 8.751) 16.595 6.352 ( 6.612 5.436 3.370) 9.199 6.677 ( -6.836 -11.613 1.583) 13.568 7.326 ( 4.766 3.618 2.271) 6.400 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.376 0.687 -4.331) 4.401 1.775 ( 0.498 1.694 2.984) 3.467 1.994 ( -0.971 6.966 1.170) 7.130 2.117 ( -1.259 -1.132 0.988) 1.961 2.621 ( -4.111 -1.053 -10.438) 11.268 2.873 ( 11.236 4.603 1.535) 12.239 3.362 ( 4.733 -10.241 -4.853) 12.281 4.366 ( 1.446 14.983 -5.745) 16.112 5.479 ( -7.484 12.924 8.705) 17.286 6.384 ( -10.299 -6.259 -4.336) 12.808 6.606 ( 9.200 0.758 2.042) 9.454 7.365 ( 1.372 -8.304 3.220) 9.012 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 2.179 2.200 -3.752) 4.865 1.776 ( -1.550 -1.832 2.734) 3.638 1.976 ( -5.122 2.899 0.888) 5.953 2.097 ( -2.013 0.166 0.721) 2.145 2.543 ( -5.196 6.551 -7.715) 11.377 3.119 ( 10.453 4.192 -0.669) 11.281 3.576 ( 29.317 -6.295 4.361) 30.301 4.502 ( -7.304 27.110 -3.961) 28.355 5.509 ( -6.485 12.244 7.932) 15.966 6.075 ( -13.688 -8.975 -8.684) 18.529 6.710 ( 1.420 -4.730 0.689) 4.986 7.275 ( 1.524 -12.890 2.803) 13.279 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 3.320 2.798 -3.450) 5.546 1.711 ( -4.133 -3.977 3.354) 6.645 1.901 ( -6.721 0.638 1.823) 6.993 2.068 ( -1.354 0.531 0.392) 1.506 2.519 ( -3.311 8.810 -6.455) 11.413 3.267 ( 4.656 1.068 -2.509) 5.396 4.089 ( 32.636 -4.840 -5.793) 33.498 4.645 ( -12.010 37.542 5.831) 39.845 5.442 ( -22.186 4.964 -2.245) 22.845 5.821 ( 4.194 -4.737 -6.555) 9.110 6.544 ( -5.506 -20.824 8.420) 23.127 7.254 ( 4.002 -3.821 0.964) 5.616 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 3.148 1.511 -3.798) 5.159 1.591 ( -6.440 -3.976 3.960) 8.542 1.790 ( -6.857 -0.343 1.568) 7.043 2.076 ( 1.130 0.850 1.131) 1.810 2.542 ( -2.141 8.113 -4.749) 9.642 3.262 ( -3.897 -2.221 -2.525) 5.147 4.429 ( 7.532 17.708 -17.757) 26.184 4.738 ( -26.469 10.254 3.021) 28.546 5.056 ( 2.936 -3.602 -13.876) 14.633 5.944 ( 2.659 -4.152 11.230) 12.265 6.366 ( 7.606 -13.478 12.675) 20.004 7.292 ( 1.250 0.358 -0.215) 1.318 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.000 -1.308 -9.435) 9.525 1.414 ( -0.000 5.953 -3.803) 7.064 1.610 ( -0.000 4.062 -4.800) 6.288 1.879 ( 0.000 0.260 0.178) 0.316 2.448 ( 0.000 -4.867 12.072) 13.016 2.785 ( -0.000 13.466 4.834) 14.307 3.256 ( 0.000 26.090 36.608) 44.954 3.737 ( 0.000 -18.433 -1.653) 18.507 6.049 ( -0.000 6.978 -16.776) 18.169 6.120 ( -0.000 -7.761 -9.261) 12.083 6.878 ( -0.000 3.067 -5.694) 6.467 7.174 ( 0.000 -3.789 4.322) 5.747 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.097 -6.000 -8.027) 10.081 1.514 ( 6.565 5.646 -4.113) 9.587 1.669 ( -0.159 8.660 -1.282) 8.755 1.938 ( 5.146 0.045 -0.126) 5.148 2.367 ( -5.342 -6.756 11.818) 14.623 2.935 ( 1.592 11.379 0.450) 11.498 3.574 ( 2.648 -7.511 0.284) 7.969 3.923 ( 25.711 19.995 30.997) 44.963 5.603 ( -27.397 -8.334 -17.549) 33.586 6.270 ( 10.349 -1.674 -8.740) 13.649 6.860 ( 1.266 -7.214 0.814) 7.369 7.179 ( -3.039 9.176 -0.072) 9.667 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.606 -5.180 -4.008) 8.007 1.704 ( 8.305 8.623 -0.949) 12.009 1.742 ( -0.895 7.684 1.475) 7.875 2.040 ( 8.698 -0.433 -4.443) 9.777 2.265 ( -3.296 -6.618 9.074) 11.704 3.025 ( -0.727 5.214 -4.666) 7.035 3.572 ( 5.487 -4.635 -5.944) 9.323 4.669 ( 19.940 18.589 22.998) 35.666 4.962 ( -22.516 -9.901 -16.427) 29.578 6.334 ( 2.513 -2.464 -2.147) 4.123 6.783 ( 0.411 -12.059 1.921) 12.218 7.257 ( -1.367 13.300 0.219) 13.372 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 4.565 -3.480 -1.730) 5.996 1.787 ( -1.287 4.214 2.494) 5.063 1.918 ( 3.854 11.575 3.885) 12.804 2.165 ( 1.241 -0.613 -1.215) 1.842 2.246 ( 12.895 -4.661 -1.831) 13.834 2.947 ( -6.819 -2.944 -9.411) 11.989 3.546 ( -2.952 -5.030 -10.446) 11.963 4.398 ( -16.102 4.228 -10.545) 19.707 5.351 ( 20.751 11.699 14.091) 27.678 6.328 ( 1.694 -3.405 2.538) 4.572 6.667 ( -3.063 -8.194 0.505) 8.762 7.349 ( -0.775 6.124 2.304) 6.589 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 1.391 -1.076 -1.353) 2.219 1.798 ( -1.301 1.115 2.051) 2.673 2.071 ( 0.890 7.320 3.117) 8.005 2.132 ( -1.644 -1.032 2.806) 3.412 2.461 ( 13.221 -1.642 -11.287) 17.461 2.786 ( 0.818 -3.067 -1.172) 3.383 3.333 ( -10.067 -2.505 -7.541) 12.825 4.390 ( 4.416 14.230 -10.446) 18.197 5.696 ( 3.300 8.315 10.729) 13.969 6.403 ( 10.207 -2.123 0.137) 10.427 6.519 ( -8.120 -3.911 1.212) 9.094 7.331 ( -3.744 -4.685 2.683) 6.570 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.920 2.099 -0.395) 2.325 1.785 ( -0.850 -1.434 1.300) 2.113 2.063 ( -2.807 0.054 0.171) 2.813 2.139 ( -2.084 1.031 2.290) 3.264 2.585 ( 7.133 3.638 -5.757) 9.862 2.936 ( 10.687 1.396 -2.521) 11.069 3.215 ( 5.129 -3.189 0.582) 6.067 4.645 ( 9.097 21.356 -10.634) 25.533 5.768 ( -4.394 5.360 10.239) 12.364 6.287 ( -17.072 1.186 -2.497) 17.294 6.580 ( 9.384 -5.144 -0.011) 10.701 7.171 ( -4.003 -12.565 2.627) 13.446 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 1.822 3.821 -0.079) 4.234 1.744 ( -2.521 -2.672 1.404) 3.933 2.013 ( -4.561 0.532 1.614) 4.867 2.101 ( -2.394 -0.462 0.785) 2.561 2.657 ( -3.836 7.929 -2.718) 9.218 3.085 ( 13.041 -2.818 -10.086) 16.725 3.470 ( 25.287 -5.736 0.445) 25.933 5.005 ( 7.078 28.778 -6.440) 30.327 5.774 ( -2.579 -1.972 0.240) 3.256 5.922 ( -25.149 2.977 1.701) 25.381 6.494 ( -7.665 -15.368 6.368) 18.316 7.118 ( 7.314 -4.586 1.221) 8.719 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.462 3.719 -1.386) 4.230 1.663 ( -4.533 -2.694 2.278) 5.745 1.919 ( -7.426 -0.125 2.183) 7.742 2.079 ( -0.436 0.203 1.077) 1.180 2.650 ( -3.654 6.555 -0.958) 7.565 3.198 ( 6.545 -4.246 -7.383) 10.741 3.867 ( 32.494 -7.770 -14.903) 36.583 5.217 ( -31.225 -15.226 -18.853) 39.525 5.290 ( -4.999 20.584 -1.207) 21.217 5.995 ( 7.009 11.267 13.578) 18.985 6.240 ( -8.337 -10.728 15.546) 20.647 7.233 ( 6.356 0.167 0.585) 6.385 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.000 -7.477 -8.047) 10.985 1.453 ( -0.000 2.241 -5.109) 5.579 1.747 ( -0.000 7.413 -1.054) 7.487 1.926 ( 0.000 2.236 3.818) 4.424 2.385 ( 0.000 -9.331 12.142) 15.313 3.037 ( -0.000 10.476 -1.654) 10.606 3.532 ( -0.000 0.696 -4.162) 4.220 4.024 ( 0.000 22.855 37.775) 44.151 5.859 ( -0.000 -9.382 -14.864) 17.577 5.938 ( -0.000 -4.516 -14.791) 15.465 6.751 ( 0.000 -12.962 3.407) 13.402 7.319 ( -0.000 12.900 0.008) 12.900 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 3.576 -5.404 -3.568) 7.397 1.545 ( 10.361 2.100 -4.745) 11.588 1.808 ( 0.795 4.677 0.028) 4.744 1.979 ( 2.029 2.085 2.984) 4.168 2.309 ( -3.189 -7.294 10.861) 13.466 3.093 ( -2.834 6.624 -2.841) 7.744 3.553 ( -1.302 9.880 -6.494) 11.894 4.528 ( 20.033 14.799 26.365) 36.269 5.309 ( -29.910 -6.902 -15.150) 34.231 6.113 ( 14.916 -7.790 -7.878) 18.581 6.650 ( 1.780 -12.468 3.150) 12.983 7.421 ( -2.319 11.753 1.003) 12.021 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 6.059 -3.225 -0.012) 6.864 1.762 ( 10.857 2.481 -3.514) 11.679 1.885 ( 6.451 3.349 -0.803) 7.313 2.053 ( 3.388 1.996 2.019) 4.421 2.242 ( -2.933 -2.993 10.056) 10.894 3.019 ( -8.873 0.043 -5.205) 10.287 3.604 ( -3.943 12.881 -9.910) 16.723 4.677 ( -18.386 -6.338 -15.730) 25.013 5.149 ( 18.066 13.387 17.465) 28.472 6.182 ( 7.045 -13.181 1.923) 15.069 6.611 ( 2.742 -4.670 -0.191) 5.419 7.467 ( -3.996 6.733 1.954) 8.069 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 5.550 -1.064 1.022) 5.743 1.835 ( -0.315 0.918 -0.376) 1.041 2.075 ( 5.614 1.277 -3.625) 6.803 2.151 ( 6.268 -0.268 -0.497) 6.293 2.267 ( 4.704 4.920 9.244) 11.480 2.794 ( -10.356 -4.029 -1.066) 11.163 3.533 ( -12.996 8.950 -10.041) 18.704 4.458 ( -2.013 9.768 -11.428) 15.168 5.599 ( 16.662 4.897 8.187) 19.200 6.164 ( 8.388 -15.438 4.634) 18.170 6.618 ( -1.909 2.594 -0.229) 3.229 7.410 ( -7.367 -1.111 1.280) 7.559 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 3.426 1.540 1.365) 3.997 1.805 ( -2.544 -0.735 -0.457) 2.687 2.082 ( -0.566 -1.091 -1.314) 1.799 2.175 ( -0.406 -2.093 -0.096) 2.134 2.490 ( 5.899 9.402 1.270) 11.172 2.754 ( 8.351 -2.313 9.125) 12.583 3.333 ( -13.903 6.256 -6.339) 16.511 4.644 ( 9.690 19.598 -9.828) 23.970 5.795 ( 3.565 -5.097 9.288) 11.178 6.268 ( 16.737 -9.897 -2.873) 19.655 6.566 ( -9.092 4.863 1.422) 10.408 7.208 ( -10.928 -7.588 -0.420) 13.310 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.225 3.541 1.606) 4.480 1.755 ( -1.600 -1.936 -0.213) 2.521 2.066 ( -0.713 0.319 0.096) 0.787 2.132 ( -1.855 -2.310 0.026) 2.962 2.662 ( 6.045 6.286 0.170) 8.722 2.903 ( 4.393 -2.968 -0.295) 5.310 3.238 ( 0.942 4.968 0.338) 5.068 5.044 ( 14.224 24.706 -4.402) 28.846 5.773 ( 0.027 -9.002 8.135) 12.133 6.189 ( -15.015 -17.059 -6.096) 23.529 6.551 ( 1.673 5.012 1.697) 5.550 7.004 ( -2.461 -3.133 -0.128) 3.986 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 1.206 3.549 0.133) 3.751 1.704 ( -2.400 -2.024 0.705) 3.218 2.035 ( -5.152 0.200 2.334) 5.659 2.089 ( -0.227 -1.075 -0.216) 1.120 2.765 ( -2.483 3.158 2.449) 4.705 2.922 ( 10.655 -4.938 -10.325) 15.637 3.410 ( 12.986 1.851 -3.246) 13.513 5.371 ( -8.049 -12.257 -0.109) 14.664 5.553 ( -19.077 6.386 -21.076) 29.136 5.843 ( 12.679 -10.855 19.840) 25.927 6.555 ( -10.970 11.308 4.878) 16.493 7.093 ( 10.129 1.859 0.022) 10.298 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.000 -2.921 0.425) 2.952 1.450 ( -0.000 0.762 -2.585) 2.696 1.828 ( 0.000 1.394 0.855) 1.636 1.989 ( 0.000 1.368 2.375) 2.741 2.289 ( 0.000 -8.300 9.166) 12.365 3.190 ( -0.000 7.392 -2.088) 7.681 3.697 ( -0.000 20.496 -9.397) 22.548 4.536 ( 0.000 5.186 13.484) 14.447 5.639 ( -0.000 -1.752 -3.061) 3.527 5.702 ( -0.000 -10.641 -9.276) 14.117 6.526 ( 0.000 -11.768 4.687) 12.667 7.546 ( -0.000 8.820 1.099) 8.889 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 3.296 -0.245 4.488) 5.574 1.553 ( 11.478 1.547 -1.801) 11.721 1.848 ( 1.161 -0.254 1.239) 1.716 2.027 ( 2.520 0.798 1.008) 2.829 2.247 ( 0.303 -6.220 7.997) 10.136 3.186 ( -7.130 4.878 -2.271) 8.933 3.839 ( -5.691 25.245 -10.576) 27.956 4.599 ( 5.320 -11.337 -14.221) 18.949 5.309 ( -13.064 6.211 7.215) 16.165 5.891 ( 11.990 -12.251 6.122) 18.203 6.497 ( 5.423 -4.565 2.870) 7.648 7.592 ( -3.015 4.640 1.173) 5.656 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 4.668 1.554 4.818) 6.886 1.796 ( 10.094 3.392 -2.226) 10.879 1.885 ( 7.311 -1.559 0.045) 7.475 2.085 ( 3.112 -0.057 0.036) 3.113 2.249 ( 2.806 -4.227 8.015) 9.486 3.039 ( -13.492 4.145 1.152) 14.161 3.873 ( -14.900 20.778 -9.284) 27.202 4.459 ( 2.711 -4.474 -16.070) 16.900 5.422 ( 11.158 7.464 0.534) 13.435 5.891 ( 4.687 -20.099 12.588) 24.174 6.614 ( 5.789 3.146 2.530) 7.057 7.531 ( -7.075 -0.811 -0.042) 7.121 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 4.567 2.486 3.167) 6.089 1.827 ( -1.363 -1.262 -1.851) 2.623 2.033 ( 4.637 -1.700 -4.235) 6.506 2.120 ( 2.489 -2.428 -1.399) 3.748 2.370 ( 12.847 -0.341 7.825) 15.046 2.922 ( -10.679 10.896 13.008) 20.049 3.687 ( -20.490 12.183 -4.044) 24.179 4.590 ( 12.683 11.918 -11.425) 20.819 5.694 ( 9.189 3.839 0.295) 9.963 5.828 ( 13.593 -22.571 5.097) 26.836 6.695 ( -1.966 2.067 2.040) 3.507 7.341 ( -11.193 -4.404 -2.678) 12.323 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.899 3.054 1.506) 5.176 1.761 ( -2.110 -3.106 -1.793) 4.161 2.035 ( 2.063 -3.121 -2.503) 4.502 2.111 ( 0.497 -2.563 -1.004) 2.797 2.630 ( 12.027 1.388 2.196) 12.305 2.941 ( -8.737 11.588 15.706) 21.385 3.470 ( -16.456 11.283 0.554) 19.960 4.983 ( 18.304 18.664 -1.578) 26.189 5.671 ( 0.598 -17.565 13.498) 22.160 6.025 ( 15.400 -6.139 -12.558) 20.798 6.552 ( -8.588 -8.615 -3.798) 12.743 7.136 ( -8.939 3.059 -1.976) 9.652 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.000 3.226 9.732) 10.252 1.456 ( -0.000 0.954 0.082) 0.958 1.842 ( 0.000 -0.501 2.026) 2.087 1.999 ( -0.000 -1.153 -0.544) 1.275 2.208 ( 0.000 -5.527 6.162) 8.278 3.282 ( -0.000 3.713 -2.565) 4.513 4.138 ( -0.000 30.833 -10.822) 32.677 4.332 ( -0.000 -16.820 -26.021) 30.984 5.400 ( 0.000 -16.253 -0.608) 16.264 5.818 ( 0.000 8.520 21.234) 22.879 6.405 ( 0.000 -3.701 4.151) 5.562 7.652 ( 0.000 1.226 0.791) 1.459 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.734 4.849 9.868) 11.020 1.593 ( 13.055 3.040 1.557) 13.495 1.842 ( 0.023 -0.973 0.909) 1.332 2.015 ( 3.679 -2.047 -1.371) 4.428 2.194 ( 1.326 -3.991 5.932) 7.271 3.234 ( -6.879 1.563 -2.469) 7.474 4.136 ( 10.086 -17.942 -27.841) 34.623 4.313 ( -9.397 28.116 -7.695) 30.627 5.289 ( 5.244 -9.653 -1.512) 11.089 5.874 ( -8.330 -0.179 20.289) 21.933 6.520 ( 10.041 2.967 5.056) 11.628 7.611 ( -4.308 -2.885 -0.295) 5.193 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.908 4.433 6.561) 8.145 1.820 ( -0.328 -1.138 -2.350) 2.631 1.870 ( 11.352 0.553 -0.985) 11.408 2.044 ( 3.405 -3.047 -0.789) 4.637 2.237 ( 5.573 -1.303 8.242) 10.035 3.158 ( -3.516 4.839 3.984) 7.186 4.078 ( -0.447 -4.028 -4.134) 5.789 4.406 ( 2.946 18.544 -15.436) 24.307 5.348 ( 13.167 -12.852 -3.074) 18.655 5.784 ( -7.178 1.196 12.668) 14.609 6.703 ( 4.157 1.803 3.579) 5.774 7.450 ( -8.563 -5.647 -2.755) 10.621 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 2.675 3.950 3.803) 6.101 1.749 ( -2.315 -4.918 -3.586) 6.512 1.929 ( 3.643 -5.953 -3.377) 7.753 2.075 ( 1.510 -0.724 -0.885) 1.894 2.446 ( 12.244 2.520 7.088) 14.370 3.208 ( -3.074 6.761 8.359) 11.182 3.981 ( -19.057 16.054 12.284) 27.781 4.736 ( 24.661 11.021 -9.698) 28.700 5.380 ( 12.115 -28.485 9.098) 32.264 5.816 ( 2.564 11.066 -5.553) 12.644 6.620 ( -10.965 -9.801 -5.276) 15.625 7.272 ( -5.956 0.354 -2.392) 6.429 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 8.727 14.078) 16.564 1.495 ( 0.000 2.456 1.903) 3.107 1.843 ( 0.000 -0.743 1.023) 1.264 1.938 ( -0.000 -3.657 -3.137) 4.818 2.174 ( 0.000 -1.996 5.134) 5.509 3.296 ( -0.000 -0.490 -2.290) 2.342 3.684 ( -0.000 -23.465 -38.839) 45.377 4.598 ( -0.000 12.643 3.077) 13.012 5.162 ( -0.000 0.398 -5.475) 5.490 6.115 ( 0.000 4.985 20.521) 21.118 6.440 ( 0.000 3.752 4.354) 5.748 7.607 ( 0.000 -5.760 -0.535) 5.785 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -3.745 7.201 9.633) 12.596 1.691 ( 12.527 4.104 3.715) 13.696 1.815 ( -1.440 -2.003 -1.532) 2.904 1.937 ( 4.686 -3.733 -1.829) 6.264 2.197 ( 2.002 -0.192 6.596) 6.896 3.190 ( -1.027 -4.248 -6.336) 7.697 3.572 ( 21.915 -17.221 -27.910) 39.444 4.623 ( -1.747 -5.111 15.228) 16.157 5.223 ( -2.375 16.166 -12.940) 20.843 6.051 ( -13.576 4.281 13.896) 19.893 6.630 ( 8.810 3.607 4.884) 10.699 7.491 ( -4.985 -8.127 -2.021) 9.746 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -1.291 5.942 6.700) 9.048 1.722 ( -3.222 -6.776 -5.512) 9.310 1.802 ( 3.206 -5.261 -1.672) 6.384 2.034 ( 4.340 1.977 0.141) 4.772 2.329 ( 8.858 3.252 9.660) 13.504 3.239 ( 4.999 -0.136 2.831) 5.747 3.847 ( 37.550 -8.599 -13.291) 40.751 4.626 ( 2.403 -4.596 12.891) 13.895 5.202 ( -11.236 7.362 -1.203) 13.487 5.968 ( -7.059 9.711 1.771) 12.135 6.677 ( -6.139 -4.954 -2.836) 8.383 7.326 ( -3.730 -4.184 -1.939) 5.931 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 9.736 12.657) 15.968 1.579 ( 0.000 3.918 3.146) 5.025 1.814 ( -0.000 -2.409 -1.670) 2.931 1.832 ( -0.000 -3.524 -3.729) 5.131 2.207 ( 0.000 0.890 6.539) 6.599 2.937 ( -0.000 -23.021 -38.604) 44.947 3.222 ( 0.000 -6.005 -2.046) 6.344 4.549 ( 0.000 -19.939 26.400) 33.083 5.458 ( -0.000 31.524 -20.393) 37.545 6.284 ( 0.000 -0.253 13.102) 13.105 6.593 ( 0.000 8.053 5.013) 9.486 7.436 ( 0.000 -10.334 -2.338) 10.596 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -5.367 6.659 7.349) 11.276 1.680 ( -2.147 -6.683 -3.630) 7.902 1.734 ( -1.655 -4.113 -2.430) 5.056 1.956 ( 10.232 5.705 3.173) 12.137 2.278 ( 4.439 1.853 9.730) 10.855 2.902 ( 33.489 -11.145 -22.768) 42.001 3.192 ( 7.230 -11.307 -5.966) 14.688 4.492 ( 3.776 -18.107 28.010) 33.566 5.603 ( -10.716 27.661 -14.602) 33.064 6.196 ( -10.091 1.745 5.610) 11.676 6.719 ( -0.410 3.821 1.903) 4.289 7.301 ( -1.605 -8.785 -2.563) 9.291 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -0.000 -8.263 -3.334) 8.911 1.715 ( -0.000 -5.787 -4.211) 7.157 1.771 ( 0.000 7.687 6.541) 10.093 1.888 ( 0.000 10.387 6.819) 12.425 2.290 ( 0.000 0.976 9.887) 9.935 2.329 ( -0.000 -12.836 -25.467) 28.519 3.014 ( 0.000 -14.524 -1.919) 14.650 4.409 ( 0.000 -13.700 29.246) 32.295 5.904 ( -0.000 27.334 -17.226) 32.309 6.300 ( 0.000 -4.235 4.116) 5.906 6.804 ( 0.000 9.576 4.812) 10.717 7.195 ( -0.000 -11.398 -4.480) 12.247 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 0.000 -0.000 11.663) 11.663 0.473 ( 0.000 -0.000 11.663) 11.663 1.080 ( 0.000 -0.000 31.174) 31.174 2.053 ( -0.000 0.000 -4.500) 4.500 2.053 ( -0.000 0.000 -4.500) 4.500 2.749 ( -0.000 0.000 -3.868) 3.868 3.011 ( -0.000 0.000 -31.623) 31.623 3.011 ( -0.000 0.000 -31.623) 31.623 6.082 ( 0.000 -0.000 5.818) 5.818 6.082 ( 0.000 -0.000 5.818) 5.818 6.869 ( 0.000 -0.000 1.468) 1.468 7.547 ( -0.000 0.000 -1.133) 1.133 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 3.002 1.733 10.060) 10.640 0.664 ( 5.051 2.916 13.462) 14.671 1.374 ( 14.570 8.412 20.206) 26.294 2.016 ( -1.039 -0.600 -3.194) 3.412 2.042 ( 0.282 0.163 -4.852) 4.863 2.610 ( 0.654 0.378 0.813) 1.110 3.299 ( 19.359 11.177 -23.374) 32.343 3.545 ( 44.589 25.744 -50.844) 72.360 5.859 ( -12.243 -7.068 4.849) 14.946 5.867 ( -19.462 -11.236 11.356) 25.179 7.039 ( 4.388 2.534 -5.776) 7.684 7.559 ( 2.045 1.181 1.511) 2.804 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 8.526 4.922 7.791) 12.555 0.812 ( 5.081 2.934 9.316) 11.010 1.600 ( 1.303 0.752 -4.705) 4.939 2.035 ( 0.543 0.313 -3.919) 3.969 2.170 ( 14.550 8.400 10.874) 20.013 2.675 ( 3.694 2.133 2.704) 5.051 3.680 ( 18.888 10.905 -8.690) 23.477 4.338 ( 40.337 23.289 -36.099) 58.928 5.536 ( -13.345 -7.705 12.825) 20.048 5.606 ( -10.641 -6.144 3.053) 12.661 6.884 ( -12.828 -7.406 -14.239) 20.547 7.601 ( -1.176 -0.679 3.715) 3.955 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 9.954 5.747 4.835) 12.469 0.959 ( 5.997 3.462 3.234) 7.642 1.578 ( 1.341 0.774 -9.049) 9.181 2.038 ( 0.778 0.449 -2.361) 2.526 2.536 ( 12.389 7.153 7.493) 16.149 2.781 ( 4.692 2.709 3.171) 6.278 4.002 ( 7.406 4.276 12.293) 14.975 5.039 ( 27.582 15.925 -18.632) 36.899 5.367 ( -5.580 -3.221 10.415) 12.247 5.476 ( 0.899 0.519 -4.077) 4.207 6.471 ( -14.862 -8.580 -17.765) 24.700 7.506 ( -8.023 -4.632 2.776) 9.671 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 6.221 3.592 -2.106) 7.485 1.121 ( 9.037 5.218 1.651) 10.565 1.621 ( 4.691 2.708 -5.619) 7.804 2.049 ( 0.620 0.358 -0.960) 1.197 2.755 ( 6.527 3.769 2.762) 8.027 2.879 ( 2.309 1.333 1.706) 3.165 4.050 ( -9.414 -5.435 30.774) 32.638 5.114 ( -19.714 -11.382 -19.552) 30.008 5.294 ( -0.677 -0.391 2.123) 2.262 5.643 ( 15.477 8.936 -12.019) 21.537 6.470 ( 20.684 11.942 -4.069) 24.228 7.288 ( -11.587 -6.690 1.600) 13.475 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 5.926 3.421 -6.178) 9.219 1.304 ( 7.270 4.197 -0.820) 8.434 1.730 ( 5.844 3.374 -1.172) 6.849 2.052 ( -0.308 -0.178 -0.194) 0.405 2.866 ( -1.930 -1.114 0.763) 2.356 2.883 ( 2.453 1.416 0.035) 2.833 3.865 ( -17.179 -9.918 37.189) 42.148 4.397 ( -30.078 -17.365 -22.693) 41.488 5.341 ( 3.191 1.843 1.641) 4.034 5.989 ( 17.916 10.344 -13.613) 24.764 6.941 ( 2.992 1.727 -3.702) 5.064 7.102 ( 8.787 5.073 5.961) 11.768 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 5.248 3.030 -8.867) 10.740 1.438 ( 5.283 3.050 -2.616) 6.638 1.853 ( 4.552 2.628 1.051) 5.360 2.028 ( -1.991 -1.150 0.077) 2.300 2.712 ( -9.633 -5.562 -7.411) 13.366 2.937 ( 0.654 0.377 6.846) 6.888 3.579 ( -20.238 -11.685 37.203) 43.934 3.848 ( -9.781 -5.647 -11.542) 16.149 5.424 ( 3.365 1.943 -0.286) 3.896 6.292 ( 13.159 7.598 -13.869) 20.573 6.730 ( -10.162 -5.867 -2.546) 12.007 7.491 ( 13.773 7.952 2.337) 16.075 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 5.341 3.083 -9.659) 11.460 1.522 ( 3.457 1.996 -4.250) 5.830 1.903 ( -0.510 -0.294 -0.735) 0.942 1.963 ( -3.774 -2.179 0.575) 4.395 2.464 ( -7.535 -4.351 -8.587) 12.225 3.032 ( 5.299 3.060 12.170) 13.622 3.242 ( -21.471 -12.397 34.954) 42.854 3.883 ( 12.335 7.121 4.116) 14.826 5.447 ( -1.651 -0.953 -4.420) 4.814 6.461 ( 6.403 3.697 -13.952) 15.791 6.546 ( -4.679 -2.701 -2.918) 6.140 7.674 ( 2.432 1.404 -0.758) 2.908 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 6.914 3.992 -8.545) 11.695 1.570 ( 2.696 1.557 -5.340) 6.182 1.856 ( -2.715 -1.568 -0.188) 3.141 1.874 ( -4.292 -2.478 1.717) 5.245 2.335 ( -1.764 -1.019 -9.148) 9.372 2.889 ( -20.830 -12.026 32.318) 40.285 3.184 ( 2.894 1.671 8.441) 9.078 4.383 ( 27.403 15.821 17.724) 36.269 5.280 ( -10.577 -6.106 -11.728) 16.932 6.484 ( 0.401 0.232 -12.840) 12.848 6.523 ( 3.412 1.970 -2.928) 4.908 7.616 ( -6.469 -3.735 -1.455) 7.610 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.358 1.361 -3.498) 4.433 1.636 ( 7.496 4.328 -6.739) 10.970 1.793 ( -3.271 -1.889 1.979) 4.264 1.804 ( -1.419 -0.819 0.793) 1.820 2.298 ( 1.122 0.648 -9.932) 10.016 2.564 ( -17.971 -10.375 29.528) 36.090 3.190 ( -4.392 -2.535 3.923) 6.411 4.822 ( -10.660 -6.154 -22.513) 25.658 5.222 ( 25.697 14.836 21.911) 36.886 6.407 ( -3.152 -1.820 -9.548) 10.219 6.642 ( 7.506 4.333 -3.988) 9.540 7.416 ( -10.430 -6.022 1.264) 12.110 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 9.516 8.740) 12.921 0.721 ( 0.000 11.822 9.138) 14.942 1.444 ( 0.000 14.279 23.830) 27.781 2.009 ( -0.000 -1.926 -6.139) 6.434 2.020 ( -0.000 0.092 -3.612) 3.613 2.475 ( -0.000 -10.196 -32.767) 34.317 2.652 ( 0.000 -1.278 3.224) 3.468 3.872 ( -0.000 67.047 -43.239) 79.780 5.608 ( 0.000 -32.179 5.296) 32.612 6.273 ( 0.000 4.933 4.636) 6.769 6.968 ( -0.000 1.955 -0.839) 2.128 7.531 ( 0.000 -1.574 0.863) 1.795 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.290 14.703 5.302) 15.632 0.876 ( -0.473 9.386 11.451) 14.814 1.638 ( -3.701 6.340 1.885) 7.579 1.958 ( 3.502 -1.869 -1.903) 4.402 2.100 ( 9.415 7.413 4.887) 12.941 2.588 ( 10.101 -2.194 -5.944) 11.924 2.907 ( 40.781 -4.269 -10.981) 42.448 4.356 ( 4.689 51.182 -31.113) 60.080 5.325 ( -0.006 -26.197 2.326) 26.300 6.113 ( -20.553 7.186 7.207) 22.934 6.927 ( -5.639 -6.290 -9.686) 12.852 7.558 ( 3.858 -3.759 3.339) 6.338 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 2.292 15.076 4.110) 15.794 0.985 ( -0.261 7.866 8.788) 11.797 1.559 ( -2.763 0.743 -8.943) 9.389 1.996 ( 2.919 -0.222 -2.709) 3.989 2.454 ( 12.362 11.304 9.530) 19.272 2.683 ( 7.337 -2.913 0.162) 7.896 3.626 ( 42.432 2.525 -2.570) 42.585 4.707 ( 9.738 2.161 -3.546) 10.587 5.218 ( 4.839 3.375 -8.515) 10.359 5.899 ( -18.132 13.181 6.034) 23.215 6.608 ( -16.076 -7.102 -15.570) 23.480 7.537 ( -1.757 -7.850 2.494) 8.422 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.355 6.959 5.836) 9.089 1.126 ( 3.797 12.458 0.229) 13.026 1.552 ( 3.446 2.693 -6.989) 8.244 2.035 ( 1.921 1.588 -2.183) 3.313 2.689 ( 5.364 2.204 4.529) 7.358 2.812 ( 8.068 0.625 0.969) 8.150 4.163 ( 9.282 4.150 16.504) 19.384 4.817 ( 24.958 -21.959 -4.032) 33.487 5.229 ( -10.168 -5.870 -16.128) 19.949 5.829 ( -12.033 17.566 5.210) 21.920 6.395 ( 2.792 14.929 -10.439) 18.430 7.374 ( -7.468 -10.071 1.063) 12.583 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.043 4.888 -0.851) 5.365 1.301 ( 3.369 11.194 -0.309) 11.694 1.655 ( 6.304 3.935 -2.408) 7.811 2.068 ( 0.122 2.570 -1.562) 3.010 2.790 ( 6.543 -3.469 3.812) 8.329 2.888 ( -0.272 0.575 -1.910) 2.013 4.170 ( -12.012 -5.117 25.040) 28.240 4.639 ( -25.318 -21.140 -23.119) 40.278 5.090 ( 18.815 -6.739 -4.696) 20.530 5.919 ( 2.550 17.073 0.474) 17.269 6.807 ( 18.129 19.857 -1.644) 26.938 7.133 ( -8.356 -9.840 1.500) 12.997 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.951 2.736 -5.499) 6.814 1.449 ( 2.074 10.480 -1.312) 10.763 1.798 ( 5.938 3.698 0.759) 7.036 2.071 ( -2.003 2.362 -1.151) 3.304 2.786 ( -7.297 -3.822 -6.336) 10.392 2.879 ( 5.257 -4.434 6.207) 9.264 3.863 ( -14.724 -12.659 -6.518) 20.483 4.089 ( -21.774 -2.421 17.173) 27.837 5.269 ( 11.133 -4.750 -1.213) 12.164 6.177 ( 8.514 15.300 -8.557) 19.488 6.823 ( -10.062 -7.830 -2.945) 13.085 7.321 ( 16.561 9.013 3.896) 19.253 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 3.858 0.303 -8.055) 8.936 1.563 ( 0.322 10.461 -2.432) 10.745 1.889 ( 1.100 0.556 -0.208) 1.250 2.043 ( -3.536 2.551 -0.602) 4.401 2.543 ( -10.365 -4.672 -8.674) 14.300 2.962 ( 6.104 -2.212 10.984) 12.759 3.710 ( 4.888 -0.486 1.755) 5.216 3.809 ( -21.984 4.569 23.789) 32.713 5.371 ( 6.231 -4.124 -1.940) 7.721 6.349 ( 1.993 4.760 -13.902) 14.829 6.616 ( -4.641 -1.316 -2.279) 5.335 7.585 ( 8.101 0.122 1.106) 8.177 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 6.115 -0.837 -8.306) 10.348 1.649 ( -0.955 10.877 -2.906) 11.299 1.858 ( -2.123 -2.190 -0.442) 3.082 1.995 ( -5.544 3.102 -0.150) 6.354 2.356 ( -5.294 -0.335 -8.578) 10.086 3.094 ( 3.116 -0.277 11.078) 11.511 3.520 ( -27.348 11.670 26.397) 39.760 4.088 ( 27.554 7.005 11.965) 30.846 5.341 ( -4.972 -3.693 -6.236) 8.789 6.261 ( 2.222 -9.957 -13.987) 17.313 6.630 ( -1.119 9.050 -4.398) 10.124 7.611 ( -0.290 -7.078 -0.487) 7.101 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 8.465 -0.938 -7.710) 11.488 1.717 ( -1.678 7.553 -0.606) 7.761 1.799 ( -2.300 -2.751 1.322) 3.822 1.930 ( -5.553 5.015 -0.857) 7.531 2.284 ( -1.374 2.901 -9.289) 9.828 3.060 ( -17.412 8.354 17.628) 26.148 3.337 ( -15.327 8.286 14.646) 22.761 4.714 ( 22.529 4.326 2.694) 23.098 5.132 ( -4.837 1.221 -0.495) 5.013 6.201 ( 8.596 -11.964 -13.297) 19.845 6.672 ( -1.378 7.221 -2.831) 7.877 7.475 ( -5.148 -9.510 0.759) 10.840 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 14.111 3.442) 14.525 1.035 ( 0.000 13.306 6.454) 14.788 1.823 ( -0.000 1.085 -4.174) 4.312 1.949 ( -0.000 -2.948 -9.996) 10.422 1.965 ( 0.000 11.068 11.202) 15.748 2.337 ( -0.000 12.615 -2.730) 12.907 2.681 ( 0.000 -0.295 6.871) 6.877 4.614 ( -0.000 15.330 -10.152) 18.386 5.152 ( -0.000 4.230 -17.239) 17.751 6.328 ( 0.000 -1.072 -0.034) 1.073 6.902 ( -0.000 -4.645 -6.105) 7.671 7.484 ( 0.000 -5.691 4.528) 7.272 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.976 14.009 1.093) 14.085 1.156 ( -1.915 11.124 6.059) 12.811 1.625 ( -8.048 -1.714 -8.039) 11.504 1.963 ( 1.065 1.208 -2.042) 2.601 2.300 ( 17.845 7.501 2.816) 19.561 2.589 ( 2.571 5.629 5.577) 8.331 2.998 ( 34.867 12.016 10.900) 38.456 4.530 ( 1.517 -26.175 9.815) 27.996 5.310 ( -0.367 33.304 -25.089) 41.698 6.215 ( -8.999 1.198 -2.128) 9.325 6.740 ( -10.387 -3.539 -9.629) 14.599 7.456 ( 1.554 -9.255 3.809) 10.128 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.486 9.731 0.031) 9.743 1.251 ( -1.965 11.730 6.497) 13.552 1.525 ( -0.623 2.513 -6.621) 7.109 2.004 ( 2.723 2.418 -2.616) 4.484 2.574 ( 9.923 -6.782 -0.456) 12.028 2.714 ( 6.129 9.237 5.997) 12.604 3.843 ( 39.286 15.160 9.437) 43.154 4.348 ( 4.936 -28.217 11.683) 30.937 5.343 ( -13.467 3.264 -16.945) 21.890 6.155 ( -4.912 12.856 -3.198) 14.130 6.537 ( -7.846 10.828 -7.406) 15.286 7.352 ( -2.758 -12.169 1.112) 12.527 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -2.190 5.746 0.501) 6.170 1.384 ( 1.215 12.491 3.332) 12.985 1.593 ( 4.819 5.659 -2.944) 7.994 2.071 ( 2.446 3.722 -3.358) 5.578 2.621 ( 7.420 -9.444 2.279) 12.224 2.885 ( 2.551 4.394 -0.163) 5.083 4.253 ( 7.673 -22.049 11.124) 25.861 4.451 ( 6.729 0.543 -6.173) 9.148 4.951 ( -7.309 -3.078 -11.756) 14.181 6.143 ( -8.332 10.216 6.770) 14.820 6.758 ( 11.373 23.047 -3.909) 25.996 7.151 ( -6.425 -12.748 -0.384) 14.281 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.584 4.010 -2.334) 4.903 1.537 ( 1.152 12.167 2.281) 12.432 1.740 ( 6.144 5.576 0.345) 8.304 2.115 ( -0.329 3.577 -2.753) 4.526 2.688 ( 9.989 -8.014 0.614) 12.821 2.866 ( -5.245 -1.482 -3.339) 6.392 3.963 ( -20.430 -20.519 -21.425) 36.020 4.244 ( 2.272 -9.040 12.877) 15.897 5.144 ( 6.328 11.892 2.343) 13.673 6.209 ( 2.054 11.020 2.546) 11.495 6.893 ( -9.191 -9.713 -2.611) 13.625 7.171 ( 14.145 12.004 2.797) 18.762 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.732 1.944 -5.252) 5.648 1.665 ( 0.084 10.781 1.398) 10.872 1.878 ( 3.043 4.289 0.660) 5.300 2.110 ( -2.254 2.212 -1.433) 3.468 2.636 ( -8.796 -4.492 -10.706) 14.566 2.849 ( 9.102 -2.410 5.737) 11.025 3.553 ( -0.555 -10.594 -8.225) 13.424 4.224 ( -6.343 1.192 12.268) 13.863 5.288 ( 0.083 7.605 3.354) 8.312 6.362 ( 1.130 7.524 -7.385) 10.603 6.656 ( -5.596 -6.214 -0.708) 8.393 7.446 ( 9.081 1.063 2.611) 9.508 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.686 1.625 -6.095) 6.530 1.757 ( -0.482 7.609 1.475) 7.766 1.898 ( -3.443 2.546 -0.940) 4.384 2.087 ( -2.778 1.681 -0.180) 3.252 2.436 ( -7.504 0.559 -8.961) 11.701 3.033 ( 9.130 2.643 4.066) 10.338 3.693 ( 24.261 -2.824 5.266) 24.986 4.137 ( -17.101 12.194 13.603) 25.024 5.353 ( -0.870 4.782 2.338) 5.393 6.201 ( -10.507 -7.257 -12.825) 18.098 6.676 ( 2.949 5.643 -2.126) 6.713 7.511 ( 2.701 -8.553 1.578) 9.107 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 4.106 2.314 -6.096) 7.705 1.788 ( -1.509 -0.866 3.371) 3.794 1.862 ( -4.501 4.893 0.446) 6.663 2.042 ( -3.949 1.958 -0.241) 4.414 2.334 ( -4.028 5.352 -9.431) 11.568 3.188 ( 4.051 4.536 -1.142) 6.187 3.985 ( -20.572 16.959 12.284) 29.355 4.262 ( 31.479 4.307 11.770) 33.883 5.320 ( -11.877 5.182 0.601) 12.973 5.941 ( 0.122 -10.580 -15.119) 18.454 6.731 ( -0.759 1.783 -1.442) 2.415 7.424 ( -0.706 -11.434 2.003) 11.630 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 12.657 0.620) 12.672 1.266 ( -0.000 8.280 -1.167) 8.361 1.638 ( -0.000 -7.107 -11.455) 13.480 1.866 ( -0.000 0.435 -3.906) 3.930 2.365 ( 0.000 14.922 10.662) 18.340 2.725 ( 0.000 -1.102 9.162) 9.228 2.840 ( 0.000 28.118 24.488) 37.287 4.262 ( 0.000 -31.730 11.404) 33.717 5.580 ( -0.000 34.616 -24.614) 42.475 6.232 ( -0.000 -6.337 -6.553) 9.116 6.769 ( -0.000 -0.452 -11.050) 11.059 7.369 ( 0.000 -9.859 5.631) 11.354 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -0.613 5.046 -2.638) 5.727 1.363 ( 2.401 8.916 -0.130) 9.235 1.544 ( -0.426 0.906 -6.447) 6.525 1.936 ( 5.769 -0.248 -2.958) 6.487 2.465 ( -2.136 3.413 8.908) 9.775 2.759 ( 1.595 6.603 6.418) 9.345 3.500 ( 26.945 22.892 23.869) 42.659 4.048 ( 5.155 -26.592 13.141) 30.107 5.601 ( -17.797 6.791 -18.596) 26.620 6.202 ( 5.716 4.402 -10.369) 12.632 6.723 ( -3.817 9.433 -8.194) 13.065 7.274 ( -1.744 -11.530 3.515) 12.180 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.553 -0.152 -2.679) 3.100 1.500 ( 2.014 10.995 2.901) 11.548 1.596 ( 2.340 7.651 -2.542) 8.395 2.015 ( 5.378 1.108 -4.232) 6.932 2.452 ( 0.608 -7.707 7.246) 10.596 2.895 ( 2.759 6.672 0.765) 7.260 3.837 ( 9.792 -20.632 3.915) 23.171 4.383 ( 23.205 18.328 22.140) 36.940 5.097 ( -24.955 -10.250 -19.309) 33.176 6.305 ( 0.856 4.252 -3.195) 5.387 6.834 ( 3.549 17.963 -2.743) 18.514 7.117 ( -4.539 -10.205 -0.068) 11.169 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.844 0.067 -1.522) 1.742 1.652 ( 0.554 11.271 5.031) 12.356 1.724 ( 4.122 8.697 -0.062) 9.624 2.109 ( 4.658 3.302 -5.675) 8.050 2.427 ( 6.512 -11.425 3.288) 13.556 2.924 ( -3.529 0.830 -4.304) 5.627 3.787 ( 5.258 -21.165 -5.106) 22.398 4.364 ( -22.375 -3.890 -7.415) 23.891 5.124 ( 17.645 15.636 8.727) 25.140 6.312 ( -2.397 3.990 2.059) 5.090 6.893 ( -4.041 -13.034 0.370) 13.651 7.136 ( 6.233 16.422 -0.532) 17.573 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -1.776 0.803 -2.305) 3.018 1.755 ( 0.216 5.698 3.916) 6.917 1.893 ( 3.595 10.451 2.387) 11.307 2.151 ( -1.057 1.445 -1.409) 2.279 2.502 ( 12.443 -7.469 -8.971) 17.061 2.796 ( -5.336 -1.865 -3.439) 6.616 3.494 ( -8.813 -14.856 -7.682) 18.904 4.215 ( 3.122 1.144 0.244) 3.335 5.476 ( 1.188 16.322 7.115) 17.845 6.364 ( 3.186 4.280 -0.738) 5.387 6.683 ( -6.604 -9.889 -0.129) 11.892 7.351 ( 5.550 4.074 2.128) 7.206 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -1.374 1.978 -3.040) 3.879 1.804 ( 0.280 1.297 2.333) 2.684 2.008 ( -2.518 7.227 1.744) 7.849 2.130 ( -1.381 0.411 1.230) 1.894 2.505 ( -0.823 0.352 -11.063) 11.099 2.861 ( 11.132 1.922 -3.657) 11.874 3.353 ( 8.953 -8.394 3.535) 12.772 4.332 ( 4.300 7.727 -0.278) 8.848 5.575 ( -8.339 15.105 8.177) 19.093 6.313 ( -11.802 -3.748 -7.989) 14.736 6.621 ( 6.414 0.073 0.552) 6.438 7.396 ( 1.435 -7.922 2.344) 8.385 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 1.154 3.865 -2.949) 4.997 1.804 ( -0.986 -2.030 2.340) 3.251 1.995 ( -4.626 3.271 2.669) 6.263 2.107 ( -2.760 0.385 1.044) 2.976 2.457 ( -5.832 8.707 -8.061) 13.221 3.056 ( 12.791 1.047 -10.240) 16.418 3.633 ( 27.352 -8.522 5.660) 29.202 4.501 ( -0.788 20.564 4.239) 21.011 5.613 ( -7.674 15.257 10.381) 19.986 5.953 ( -18.496 -7.655 -13.033) 23.886 6.711 ( 2.569 -2.470 -0.711) 3.634 7.308 ( 1.122 -12.717 3.148) 13.149 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 -5.797 -4.947) 7.621 1.362 ( -0.000 4.941 -5.506) 7.399 1.562 ( -0.000 8.716 -4.144) 9.651 1.895 ( 0.000 2.375 2.494) 3.444 2.584 ( 0.000 -2.605 12.419) 12.689 2.827 ( -0.000 8.566 2.785) 9.007 3.646 ( 0.000 30.050 34.817) 45.992 3.786 ( 0.000 -24.217 11.046) 26.617 5.855 ( -0.000 8.954 -18.462) 20.518 5.998 ( -0.000 -9.983 -13.130) 16.494 6.805 ( -0.000 9.867 -7.765) 12.556 7.217 ( 0.000 -6.985 3.585) 7.851 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 2.498 -6.276 -3.322) 7.528 1.462 ( 8.316 4.320 -5.264) 10.748 1.652 ( 0.439 10.254 -1.601) 10.387 1.952 ( 2.408 1.846 2.347) 3.836 2.510 ( -6.557 -6.697 13.944) 16.801 2.931 ( 0.944 8.417 -1.152) 8.548 3.611 ( 0.367 -14.655 7.936) 16.670 4.263 ( 22.003 22.331 29.851) 43.288 5.400 ( -28.862 -8.098 -19.467) 35.743 6.159 ( 14.532 -1.569 -11.331) 18.494 6.863 ( 2.012 -1.310 -0.414) 2.437 7.175 ( -3.787 6.846 -0.524) 7.841 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 5.279 -4.654 -0.574) 7.061 1.673 ( 11.925 5.888 -4.252) 13.963 1.752 ( 0.753 9.179 0.266) 9.214 2.022 ( 3.509 1.820 0.780) 4.029 2.383 ( -5.839 -6.905 12.527) 15.450 2.970 ( -2.578 2.847 -5.491) 6.701 3.548 ( 2.944 -9.566 1.587) 10.134 4.739 ( -30.244 -4.865 -14.670) 33.964 4.941 ( 24.444 14.299 16.520) 32.785 6.294 ( 6.823 -1.472 -4.715) 8.424 6.804 ( -0.290 -12.444 2.129) 12.629 7.255 ( -0.949 15.567 -0.812) 15.617 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 4.115 -2.948 0.289) 5.070 1.802 ( 0.689 3.040 0.174) 3.122 1.945 ( 7.178 10.854 0.194) 13.014 2.127 ( 6.604 2.445 -2.436) 7.451 2.290 ( -1.866 -5.049 7.669) 9.369 2.855 ( -6.602 -2.700 -7.260) 10.177 3.465 ( -4.352 -7.487 -4.540) 9.778 4.300 ( -12.035 3.103 -7.451) 14.491 5.477 ( 17.627 11.652 8.361) 22.723 6.341 ( 2.532 -1.600 0.453) 3.029 6.672 ( -3.127 -9.145 0.541) 9.680 7.367 ( -0.279 6.945 0.962) 7.017 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.640 -0.058 -0.185) 0.669 1.814 ( -0.722 -0.028 0.730) 1.027 2.089 ( 0.306 2.552 0.472) 2.613 2.181 ( -2.031 2.410 5.033) 5.939 2.348 ( 9.110 1.937 -8.042) 12.305 2.786 ( 3.017 1.963 0.381) 3.619 3.273 ( -6.434 -4.716 -3.013) 8.527 4.314 ( 4.863 10.776 -3.558) 12.346 5.783 ( 4.017 8.596 4.590) 10.540 6.389 ( 3.585 -0.107 -1.483) 3.881 6.533 ( -4.226 -5.049 0.931) 6.650 7.352 ( -3.321 -5.044 1.021) 6.124 ======================= Grid point 796 (274/344) ======================= q-point: (-0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.312 3.522 -0.345) 3.553 1.797 ( -0.255 -2.193 0.922) 2.392 2.070 ( -1.790 -0.360 0.944) 2.056 2.163 ( -2.935 -0.330 1.938) 3.532 2.527 ( 7.912 7.272 -4.824) 11.779 2.861 ( 0.782 4.276 -9.728) 10.655 3.260 ( 11.529 -5.848 6.500) 14.470 4.587 ( 10.530 19.259 0.100) 21.950 5.840 ( -4.338 3.742 1.740) 5.988 6.257 ( -18.169 4.453 -1.511) 18.768 6.578 ( 8.952 -4.982 -0.554) 10.259 7.196 ( -2.877 -13.231 1.768) 13.655 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -6.238 -0.969) 6.313 1.400 ( -0.000 3.180 -4.660) 5.642 1.736 ( -0.000 8.455 -0.977) 8.511 1.967 ( 0.000 2.142 3.517) 4.118 2.530 ( 0.000 -10.996 13.923) 17.741 3.015 ( -0.000 9.600 -2.360) 9.886 3.541 ( 0.000 -6.657 6.151) 9.064 4.382 ( 0.000 18.877 26.864) 32.833 5.704 ( -0.000 -7.917 -12.649) 14.922 5.765 ( -0.000 -2.077 -16.463) 16.594 6.789 ( 0.000 -10.650 3.555) 11.227 7.309 ( -0.000 13.948 -1.960) 14.085 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.623 -3.701 2.532) 5.765 1.498 ( 9.693 3.213 -3.848) 10.912 1.809 ( 0.855 5.584 0.048) 5.649 2.010 ( 1.715 1.550 2.652) 3.518 2.443 ( -2.983 -9.825 13.333) 16.828 3.058 ( -4.076 6.976 -3.731) 8.899 3.520 ( -1.944 3.006 0.843) 3.678 4.702 ( 12.706 0.311 2.302) 12.917 5.203 ( -25.902 4.003 -1.875) 26.276 6.031 ( 18.214 -3.239 -5.970) 19.439 6.692 ( 0.514 -12.531 4.240) 13.239 7.422 ( -1.883 13.290 -0.915) 13.454 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 5.064 -1.996 3.747) 6.608 1.721 ( 12.052 3.490 -3.712) 13.085 1.881 ( 3.869 3.206 -0.016) 5.025 2.075 ( 3.230 1.370 1.851) 3.967 2.368 ( -2.477 -4.833 12.734) 13.844 2.966 ( -10.324 2.743 -4.820) 11.719 3.519 ( -4.984 7.966 -5.260) 10.769 4.512 ( -13.667 -5.525 -14.601) 20.749 5.290 ( 14.165 8.763 7.784) 18.386 6.209 ( 8.683 -7.347 3.982) 12.051 6.621 ( 1.127 -5.698 1.756) 6.068 7.478 ( -3.680 7.151 0.086) 8.043 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 4.261 -0.374 2.345) 4.878 1.825 ( 0.402 0.649 -1.481) 1.666 2.035 ( 7.944 0.892 -3.253) 8.631 2.142 ( 3.609 -0.348 -1.034) 3.770 2.383 ( 0.976 3.154 11.297) 11.769 2.813 ( -7.272 3.412 3.967) 8.959 3.427 ( -12.013 7.944 -9.036) 17.002 4.363 ( -0.004 7.909 -5.879) 9.855 5.635 ( 17.413 2.534 -1.746) 17.683 6.227 ( 5.465 -13.948 7.267) 16.650 6.620 ( -2.279 3.874 0.415) 4.514 7.413 ( -7.395 -2.087 -0.684) 7.715 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.000 -0.449 6.651) 6.666 1.427 ( -0.000 2.151 -1.725) 2.758 1.841 ( 0.000 2.415 1.347) 2.765 2.010 ( 0.000 0.197 1.524) 1.537 2.399 ( 0.000 -11.103 10.852) 15.526 3.159 ( -0.000 7.409 -3.915) 8.379 3.632 ( -0.000 14.544 -2.293) 14.724 4.533 ( -0.000 -10.288 -13.040) 16.609 5.593 ( -0.000 -5.564 -10.139) 11.565 5.709 ( 0.000 9.056 14.735) 17.296 6.583 ( 0.000 -11.989 5.507) 13.193 7.550 ( -0.000 9.939 -0.356) 9.945 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 1.835 1.583 8.213) 8.563 1.540 ( 10.685 2.993 -0.519) 11.108 1.864 ( 0.623 -0.041 1.651) 1.765 2.034 ( 2.718 -0.347 0.492) 2.784 2.343 ( 0.857 -8.613 9.339) 12.733 3.150 ( -6.740 5.463 -4.923) 9.976 3.745 ( -6.073 21.686 -6.306) 23.387 4.382 ( 5.514 -16.757 -23.921) 29.722 5.362 ( -8.875 2.744 1.783) 9.459 6.006 ( 9.800 -2.601 14.534) 17.722 6.537 ( 3.939 -4.889 4.254) 7.583 7.599 ( -3.094 4.882 0.116) 5.781 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 2.549 2.188 5.910) 6.798 1.774 ( 9.063 3.700 -1.751) 9.945 1.889 ( 5.003 -1.582 0.613) 5.283 2.085 ( 3.210 -1.055 0.094) 3.380 2.340 ( 3.662 -5.684 8.722) 11.037 3.051 ( -8.388 6.917 0.326) 10.877 3.772 ( -14.727 22.832 -8.858) 28.577 4.290 ( 9.124 -7.005 -14.799) 18.744 5.394 ( 8.986 1.988 -4.378) 10.192 6.047 ( 1.623 -15.200 15.121) 21.502 6.647 ( 4.750 4.468 3.094) 7.218 7.525 ( -7.740 -1.731 -1.009) 7.995 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 5.220 11.932) 13.024 1.463 ( 0.000 1.889 1.216) 2.247 1.866 ( 0.000 -0.736 2.277) 2.393 1.990 ( -0.000 -2.489 -1.219) 2.772 2.284 ( 0.000 -7.265 7.726) 10.605 3.239 ( -0.000 4.656 -5.754) 7.402 4.002 ( -0.000 -22.715 -33.373) 40.370 4.029 ( -0.000 29.030 -9.212) 30.456 5.395 ( 0.000 -11.374 0.076) 11.375 6.060 ( 0.000 9.236 22.156) 24.004 6.455 ( 0.000 -4.455 4.881) 6.609 7.659 ( 0.000 1.118 0.611) 1.274 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -1.882 5.216 9.399) 10.913 1.617 ( 12.172 4.271 2.765) 13.192 1.851 ( -0.626 -1.933 0.789) 2.180 2.001 ( 4.378 -2.940 -1.062) 5.380 2.268 ( 1.924 -4.815 7.595) 9.196 3.188 ( -5.198 2.247 -6.248) 8.432 3.822 ( 17.875 -19.140 -29.001) 39.075 4.213 ( -8.966 30.829 -10.706) 33.844 5.292 ( 1.861 -9.406 2.413) 9.887 6.085 ( -9.491 -1.884 18.136) 20.556 6.577 ( 9.659 3.544 5.253) 11.552 7.609 ( -5.056 -3.661 -0.033) 6.242 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.000 9.023 11.970) 14.990 1.522 ( 0.000 2.776 3.346) 4.348 1.852 ( 0.000 -1.916 0.563) 1.998 1.903 ( -0.000 -4.504 -3.172) 5.509 2.244 ( 0.000 -2.454 7.511) 7.902 3.257 ( -0.000 1.030 -5.086) 5.189 3.268 ( -0.000 -25.152 -37.151) 44.865 4.550 ( -0.000 30.878 -11.507) 32.952 5.171 ( 0.000 -13.078 6.948) 14.809 6.321 ( 0.000 2.642 17.126) 17.329 6.486 ( 0.000 3.942 3.932) 5.568 7.606 ( 0.000 -6.797 0.403) 6.809 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 -0.000 7.033) 7.033 0.577 ( 0.000 -0.000 7.033) 7.033 1.406 ( 0.000 -0.000 28.818) 28.818 1.998 ( -0.000 0.000 -5.557) 5.557 1.998 ( -0.000 0.000 -5.557) 5.557 2.643 ( -0.000 0.000 -35.294) 35.294 2.643 ( -0.000 0.000 -35.294) 35.294 2.696 ( -0.000 0.000 -5.855) 5.855 6.144 ( 0.000 -0.000 5.512) 5.512 6.144 ( 0.000 -0.000 5.512) 5.512 6.887 ( 0.000 -0.000 1.671) 1.671 7.533 ( -0.000 0.000 -1.401) 1.401 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 3.185 1.839 7.719) 8.550 0.801 ( 6.495 3.750 11.392) 13.639 1.568 ( 3.515 2.030 14.250) 14.817 1.981 ( 0.687 0.397 -6.251) 6.301 2.000 ( 4.256 2.457 1.111) 5.039 2.580 ( 6.061 3.499 -6.839) 9.786 3.009 ( 25.300 14.607 -29.229) 41.325 3.069 ( 41.187 23.779 -35.874) 59.572 5.929 ( -12.186 -7.036 7.809) 16.093 5.979 ( -16.961 -9.793 9.096) 21.595 6.965 ( -0.756 -0.436 -7.366) 7.418 7.572 ( 3.908 2.256 0.936) 4.609 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 7.556 4.362 8.018) 11.849 0.930 ( 2.620 1.513 11.787) 12.169 1.534 ( -3.609 -2.083 -7.015) 8.159 1.985 ( 1.455 0.840 -5.189) 5.455 2.294 ( 14.977 8.647 11.466) 20.750 2.682 ( 5.020 2.898 -1.275) 5.935 3.527 ( 27.875 16.093 -18.820) 37.285 4.008 ( 47.962 27.691 -24.122) 60.407 5.661 ( -13.590 -7.846 9.626) 18.410 5.681 ( -12.359 -7.135 10.316) 17.609 6.722 ( -15.444 -8.916 -14.902) 23.240 7.629 ( -0.995 -0.574 1.565) 1.941 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 8.286 4.784 5.787) 11.181 1.022 ( 2.407 1.389 8.017) 8.485 1.481 ( 2.229 1.287 -8.745) 9.116 2.006 ( 1.765 1.019 -3.559) 4.101 2.606 ( 9.521 5.497 5.366) 12.233 2.800 ( 5.356 3.092 0.553) 6.209 4.050 ( 20.704 11.954 -3.789) 24.205 4.885 ( 31.300 18.071 -9.486) 37.367 5.434 ( -9.998 -5.773 0.263) 11.548 5.495 ( -5.930 -3.423 7.652) 10.268 6.302 ( -11.731 -6.773 -11.662) 17.875 7.525 ( -8.226 -4.749 0.741) 9.527 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.813 1.624 1.533) 3.592 1.146 ( 7.483 4.320 2.984) 9.141 1.565 ( 6.818 3.936 -4.498) 9.067 2.032 ( 1.381 0.797 -2.103) 2.639 2.783 ( 6.045 3.490 2.216) 7.324 2.884 ( 1.239 0.715 -0.770) 1.624 4.323 ( 0.313 0.181 17.998) 18.002 4.883 ( -25.766 -14.876 -23.681) 38.026 5.313 ( 2.123 1.226 2.419) 3.444 5.539 ( 10.114 5.839 -5.989) 13.125 6.462 ( 23.855 13.773 2.593) 27.667 7.298 ( -11.418 -6.592 0.273) 13.187 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 3.514 2.029 -4.493) 6.054 1.304 ( 6.037 3.486 0.762) 7.013 1.721 ( 7.374 4.257 -0.410) 8.524 2.045 ( 0.164 0.095 -1.103) 1.119 2.833 ( -4.919 -2.840 -4.581) 7.297 2.915 ( 4.706 2.717 3.494) 6.460 4.145 ( -26.735 -15.435 -23.740) 38.943 4.236 ( -14.197 -8.196 30.418) 34.554 5.373 ( 2.271 1.311 4.952) 5.604 5.830 ( 17.070 9.855 -15.145) 24.857 6.902 ( 0.149 0.086 -3.542) 3.546 7.167 ( 10.721 6.190 5.941) 13.731 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 3.931 2.270 -8.949) 10.035 1.418 ( 4.189 2.418 -1.091) 4.958 1.859 ( 4.194 2.421 0.052) 4.843 2.027 ( -1.598 -0.922 -0.173) 1.853 2.623 ( -10.974 -6.336 -8.980) 15.531 3.018 ( 3.355 1.937 7.858) 8.761 3.733 ( -2.219 -1.281 -9.499) 9.838 3.967 ( -19.661 -11.352 33.793) 40.711 5.437 ( 1.398 0.807 3.140) 3.530 6.119 ( 13.405 7.739 -17.987) 23.730 6.694 ( -10.077 -5.818 -4.177) 12.363 7.517 ( 11.915 6.879 2.316) 13.952 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 5.365 3.097 -11.329) 12.912 1.484 ( 2.493 1.439 -2.754) 3.984 1.889 ( -0.764 -0.441 -1.759) 1.967 1.975 ( -3.178 -1.835 1.360) 3.913 2.372 ( -7.218 -4.167 -8.369) 11.812 3.154 ( 5.177 2.989 9.800) 11.479 3.626 ( -21.767 -12.567 35.387) 43.405 3.942 ( 19.627 11.332 6.746) 23.646 5.408 ( -5.378 -3.105 -2.507) 6.697 6.283 ( 7.323 4.228 -18.647) 20.475 6.506 ( -4.362 -2.519 -4.294) 6.619 7.666 ( 1.464 0.845 -0.645) 1.810 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 0.000 8.001 8.376) 11.583 0.792 ( -0.000 13.108 3.339) 13.527 1.689 ( 0.000 9.320 20.754) 22.751 1.942 ( -0.000 -1.813 -5.802) 6.079 1.975 ( -0.000 -1.652 -5.934) 6.160 2.149 ( -0.000 -0.859 -24.651) 24.666 2.659 ( -0.000 3.048 -1.861) 3.571 3.421 ( -0.000 67.946 -39.581) 78.634 5.695 ( 0.000 -33.850 10.104) 35.325 6.307 ( 0.000 3.672 1.553) 3.987 6.942 ( -0.000 -0.070 -3.542) 3.543 7.541 ( 0.000 0.612 1.027) 1.196 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.498 12.018 6.091) 13.483 0.988 ( 2.072 8.159 8.603) 12.036 1.619 ( -10.483 -0.550 -4.061) 11.256 1.934 ( 1.229 0.658 -2.676) 3.017 2.181 ( 16.548 7.674 8.835) 20.268 2.475 ( 22.976 1.762 -11.645) 25.818 2.845 ( 26.738 6.553 -2.453) 27.639 4.018 ( 10.373 61.496 -30.276) 69.325 5.404 ( 0.437 -33.229 11.217) 35.074 6.169 ( -16.900 4.637 2.641) 17.722 6.817 ( -9.955 -6.700 -10.082) 15.673 7.587 ( 3.431 -2.648 2.061) 4.799 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 3.116 11.386 4.501) 12.633 1.096 ( -1.361 7.108 10.432) 12.697 1.465 ( -3.749 0.797 -7.965) 8.839 1.962 ( 2.457 1.062 -3.422) 4.345 2.547 ( 11.054 9.359 7.649) 16.380 2.658 ( 9.750 -2.516 -4.348) 10.968 3.586 ( 41.405 12.171 -4.619) 43.403 4.650 ( 15.530 28.315 -7.338) 33.117 5.195 ( 4.038 -20.060 4.515) 20.955 5.932 ( -17.312 7.454 -1.589) 18.915 6.469 ( -17.086 -4.324 -8.269) 19.468 7.554 ( -2.416 -7.736 0.685) 8.133 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.987 6.045 2.783) 6.728 1.168 ( -0.706 9.777 7.373) 12.266 1.481 ( 5.235 4.342 -5.960) 9.043 2.007 ( 2.308 1.933 -2.947) 4.213 2.722 ( 5.053 1.184 1.153) 5.317 2.814 ( 7.482 1.017 -0.027) 7.551 4.253 ( 20.875 12.972 -0.789) 24.590 4.849 ( 14.279 -26.806 9.775) 31.906 5.035 ( -15.436 -9.135 -19.075) 26.183 5.854 ( -8.622 21.412 -0.447) 23.087 6.347 ( 6.187 14.347 1.959) 15.746 7.377 ( -7.569 -10.237 -0.453) 12.739 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.080 3.796 -0.312) 3.959 1.314 ( 2.186 10.503 2.467) 11.008 1.635 ( 7.888 5.307 -1.223) 9.585 2.046 ( 0.808 2.336 -2.358) 3.416 2.813 ( 6.008 -4.048 -0.793) 7.288 2.867 ( -0.527 0.964 -0.503) 1.208 4.255 ( -19.850 -18.688 -17.958) 32.646 4.536 ( -11.427 -6.360 12.254) 17.922 5.048 ( 21.060 -8.207 -3.155) 22.822 5.920 ( -5.148 19.928 0.516) 20.589 6.805 ( 16.770 16.245 1.158) 23.377 7.147 ( -5.240 -8.003 1.191) 9.639 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.346 2.643 -5.457) 6.073 1.446 ( 0.787 10.282 0.699) 10.336 1.805 ( 6.065 4.080 0.505) 7.327 2.057 ( -1.223 1.959 -1.600) 2.810 2.702 ( -8.603 -5.625 -9.215) 13.805 2.947 ( 7.003 -2.723 6.147) 9.708 3.714 ( -9.649 -11.529 -15.040) 21.266 4.348 ( -15.868 -4.289 24.843) 29.789 5.263 ( 12.823 -5.731 -0.500) 14.055 6.077 ( 1.888 18.193 -8.911) 20.345 6.784 ( -9.829 -6.926 -3.977) 12.665 7.365 ( 15.228 7.600 3.892) 17.459 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 2.382 1.382 -8.635) 9.064 1.543 ( -1.149 10.832 -1.119) 10.950 1.881 ( 0.272 0.343 -1.303) 1.374 2.038 ( -2.693 2.158 -0.294) 3.464 2.445 ( -9.602 -4.253 -9.328) 14.046 3.074 ( 7.813 -2.276 8.996) 12.130 3.707 ( 16.049 1.770 0.889) 16.170 4.102 ( -21.907 0.116 27.123) 34.865 5.364 ( 5.109 -5.351 0.345) 7.407 6.181 ( -0.931 6.483 -16.559) 17.807 6.582 ( -5.501 -0.144 -3.817) 6.697 7.596 ( 6.689 -0.083 0.694) 6.725 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 11.153 5.694) 12.522 1.076 ( -0.000 12.040 0.780) 12.065 1.736 ( -0.000 -6.582 -9.721) 11.739 1.841 ( -0.000 -0.412 -8.191) 8.202 2.120 ( 0.000 14.020 14.936) 20.485 2.379 ( 0.000 24.612 9.394) 26.344 2.726 ( 0.000 3.540 1.448) 3.825 4.408 ( -0.000 53.192 -25.190) 58.855 5.123 ( 0.000 -29.042 9.318) 30.500 6.303 ( -0.000 -2.913 -4.492) 5.354 6.814 ( -0.000 -6.508 -9.674) 11.659 7.532 ( 0.000 -4.322 4.145) 5.989 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.286 11.637 2.949) 12.009 1.196 ( 1.897 8.467 1.138) 8.751 1.549 ( -6.591 -2.262 -6.069) 9.241 1.927 ( 4.425 -0.201 -4.002) 5.970 2.343 ( 10.625 8.706 5.702) 14.873 2.648 ( -0.452 10.181 4.583) 11.174 3.128 ( 31.759 20.407 12.812) 39.865 4.657 ( 1.940 -12.295 10.969) 16.591 5.076 ( 3.886 23.231 -15.255) 28.062 6.149 ( -9.514 -2.905 -9.948) 14.068 6.643 ( -8.518 -2.903 -7.970) 12.021 7.492 ( -0.231 -8.774 2.906) 9.245 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 1.103 7.846 0.681) 7.952 1.319 ( 0.707 9.139 5.306) 10.591 1.463 ( -1.216 4.172 -4.488) 6.247 1.975 ( 2.635 1.774 -2.686) 4.160 2.564 ( 8.942 -2.948 -0.999) 9.468 2.769 ( 3.996 7.831 3.944) 9.636 3.924 ( 31.161 18.095 5.624) 36.470 4.528 ( 4.149 -26.865 19.900) 33.689 5.154 ( -13.604 1.016 -17.530) 22.213 6.066 ( 1.751 17.251 -11.371) 20.736 6.507 ( -6.439 8.914 0.579) 11.011 7.359 ( -4.051 -12.195 0.317) 12.854 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.858 3.903 0.112) 4.324 1.435 ( -0.524 12.328 5.489) 13.504 1.566 ( 6.164 7.288 -1.891) 9.731 2.033 ( 2.789 2.731 -3.476) 5.227 2.626 ( 7.099 -7.856 -1.327) 10.671 2.886 ( 0.811 3.062 0.458) 3.200 4.237 ( 1.629 -21.342 -12.689) 24.883 4.495 ( -6.079 -11.216 13.194) 18.353 4.856 ( 5.271 9.474 -6.575) 12.680 6.187 ( -5.237 11.143 2.096) 12.489 6.741 ( 12.604 22.242 0.818) 25.578 7.144 ( -6.097 -12.757 -0.880) 14.166 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -3.346 3.348 -2.170) 5.207 1.571 ( -0.588 13.160 3.991) 13.765 1.744 ( 6.894 6.098 0.519) 9.219 2.082 ( 0.663 3.323 -3.359) 4.771 2.648 ( 5.234 -8.917 -8.316) 13.269 2.861 ( -1.520 -3.342 2.752) 4.588 3.752 ( -16.777 -15.416 -16.835) 28.329 4.395 ( 4.656 -16.921 14.710) 22.899 5.157 ( 5.569 16.982 -1.255) 17.916 6.225 ( -2.290 10.744 1.053) 11.036 6.860 ( -9.134 -7.821 -3.052) 12.406 7.207 ( 14.684 10.076 3.335) 18.118 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.433 2.593 -5.102) 6.219 1.687 ( -1.555 11.947 2.589) 12.323 1.881 ( 1.969 4.268 -0.007) 4.700 2.093 ( -1.417 2.941 -1.645) 3.656 2.508 ( -6.028 -4.870 -12.632) 14.820 2.911 ( 9.641 -5.388 5.441) 12.312 3.498 ( 4.547 -5.486 -1.643) 7.312 4.361 ( -1.310 -7.722 13.113) 15.275 5.321 ( -1.086 11.590 1.298) 11.713 6.275 ( -4.871 6.575 -7.822) 11.320 6.642 ( -5.296 -3.806 -1.773) 6.758 7.470 ( 8.496 0.804 1.600) 8.682 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.000 10.455 3.303) 10.964 1.232 ( -0.000 6.592 -4.871) 8.196 1.513 ( -0.000 -6.392 -11.750) 13.376 1.848 ( -0.000 3.000 0.467) 3.036 2.477 ( 0.000 12.655 9.794) 16.002 2.795 ( 0.000 1.219 3.791) 3.982 3.124 ( 0.000 35.195 27.262) 44.519 4.443 ( 0.000 -33.554 21.263) 39.723 5.328 ( -0.000 38.424 -21.357) 43.960 6.135 ( -0.000 -8.392 -11.231) 14.020 6.634 ( -0.000 -0.543 -13.607) 13.617 7.426 ( 0.000 -9.753 4.693) 10.823 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -0.395 2.499 -2.324) 3.435 1.356 ( 5.177 6.734 -0.759) 8.527 1.470 ( 1.994 3.278 -7.067) 8.042 1.922 ( 3.582 1.768 0.400) 4.015 2.563 ( -4.559 6.029 8.790) 11.593 2.810 ( 0.780 4.796 2.924) 5.671 3.746 ( 17.461 23.563 21.661) 36.459 4.255 ( 7.120 -26.281 23.840) 36.190 5.395 ( -17.765 6.601 -19.012) 26.844 6.072 ( 7.182 6.024 -12.961) 15.995 6.629 ( 0.123 10.074 -9.243) 13.672 7.310 ( -3.392 -11.640 3.141) 12.525 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 2.380 -0.499 -1.236) 2.728 1.518 ( 6.056 8.397 0.086) 10.354 1.567 ( 3.229 9.025 -2.567) 9.923 1.988 ( 2.799 1.689 -0.619) 3.327 2.530 ( -3.399 -3.155 6.795) 8.227 2.898 ( 1.766 3.703 -0.150) 4.106 3.921 ( 4.933 -22.171 11.372) 25.401 4.598 ( 11.913 16.305 16.476) 26.062 4.890 ( -18.629 -8.174 -18.136) 27.254 6.256 ( 6.255 4.806 -5.070) 9.377 6.802 ( 6.094 20.060 -3.174) 21.204 7.121 ( -6.251 -11.118 0.838) 12.783 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.510 0.205 -0.460) 0.717 1.695 ( 2.473 8.835 2.300) 9.458 1.724 ( 5.557 10.830 0.078) 12.173 2.058 ( 3.796 2.954 -2.891) 5.612 2.459 ( 0.088 -8.550 1.898) 8.758 2.887 ( -3.306 -2.564 -2.028) 4.650 3.752 ( -4.987 -20.479 -1.470) 21.129 4.304 ( -12.149 -7.259 -3.038) 14.475 5.198 ( 14.159 19.316 3.922) 24.269 6.321 ( 0.080 2.732 0.056) 2.734 6.893 ( -5.854 -12.187 -0.177) 13.521 7.135 ( 8.480 16.795 0.115) 18.815 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -3.243 1.477 -1.561) 3.890 1.790 ( 0.708 3.887 2.304) 4.574 1.923 ( 3.081 12.543 3.100) 13.283 2.130 ( 0.486 4.186 -2.004) 4.666 2.392 ( 3.998 -8.297 -10.558) 14.010 2.796 ( -0.486 -4.474 3.161) 5.499 3.446 ( -6.689 -10.829 -1.192) 12.784 4.238 ( 5.836 -4.429 3.945) 8.321 5.521 ( 1.339 18.577 0.404) 18.629 6.349 ( -0.266 2.856 -1.364) 3.176 6.679 ( -6.381 -8.301 -0.572) 10.485 7.368 ( 6.025 3.861 0.811) 7.201 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 -6.990 -3.508) 7.821 1.299 ( -0.000 5.050 -5.857) 7.734 1.524 ( -0.000 11.626 -2.525) 11.897 1.929 ( 0.000 3.159 3.502) 4.716 2.706 ( 0.000 1.367 9.570) 9.667 2.844 ( -0.000 4.576 0.550) 4.609 3.975 ( 0.000 -29.886 23.275) 37.880 4.000 ( 0.000 31.040 29.764) 43.004 5.657 ( -0.000 9.370 -17.493) 19.845 5.839 ( -0.000 -10.888 -15.870) 19.246 6.712 ( -0.000 16.354 -9.158) 18.744 7.252 ( 0.000 -9.385 2.830) 9.803 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 3.095 -4.708 -0.982) 5.719 1.404 ( 8.670 4.460 -5.225) 11.062 1.637 ( 0.766 11.068 -1.168) 11.156 1.983 ( 1.442 2.431 3.137) 4.222 2.655 ( -6.641 -4.474 12.010) 14.434 2.912 ( 0.451 6.017 -2.286) 6.452 3.754 ( -2.502 -21.387 18.275) 28.243 4.543 ( 18.469 19.276 20.347) 33.566 5.192 ( -30.208 -5.764 -18.095) 35.682 6.037 ( 18.158 -0.912 -10.335) 20.913 6.850 ( 2.846 6.923 -1.803) 7.699 7.168 ( -4.082 2.211 -0.777) 4.707 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 5.012 -3.138 1.452) 6.089 1.621 ( 12.617 5.411 -4.945) 14.592 1.750 ( 1.590 9.303 -0.457) 9.449 2.046 ( 2.057 2.594 3.090) 4.528 2.526 ( -8.245 -4.837 13.057) 16.182 2.909 ( -3.557 0.397 -5.407) 6.484 3.608 ( -0.536 -15.737 9.420) 18.349 4.563 ( -24.305 -5.974 -16.218) 29.824 5.096 ( 17.552 15.470 10.282) 25.556 6.247 ( 9.796 0.274 -3.332) 10.350 6.830 ( -1.234 -11.963 2.553) 12.295 7.238 ( 0.032 16.932 -2.284) 17.086 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 -3.216 2.015) 3.795 1.354 ( -0.000 4.328 -3.692) 5.689 1.726 ( -0.000 9.315 -0.726) 9.344 2.001 ( 0.000 1.616 2.878) 3.301 2.670 ( 0.000 -10.321 11.257) 15.273 2.986 ( -0.000 8.753 -2.920) 9.228 3.667 ( 0.000 -15.933 16.693) 23.076 4.570 ( 0.000 6.985 6.022) 9.222 5.593 ( -0.000 -0.225 -14.703) 14.704 5.617 ( -0.000 1.389 -1.631) 2.142 6.827 ( 0.000 -7.515 3.435) 8.263 7.277 ( -0.000 14.421 -3.807) 14.915 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 3.003 -1.090 4.973) 5.910 1.464 ( 9.040 4.474 -2.500) 10.391 1.808 ( 0.709 6.670 -0.146) 6.709 2.036 ( 1.841 0.705 2.133) 2.904 2.585 ( -1.932 -11.045 12.306) 16.649 3.009 ( -5.123 6.522 -5.214) 9.796 3.576 ( -3.555 -5.479 9.427) 11.469 4.592 ( 2.939 -12.276 -18.836) 22.674 5.239 ( -15.608 10.438 4.479) 19.304 6.009 ( 18.627 3.717 2.500) 19.158 6.739 ( -0.360 -12.063 4.333) 12.823 7.402 ( -1.464 15.057 -2.734) 15.373 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.000 2.210 8.635) 8.914 1.414 ( -0.000 3.506 -0.444) 3.534 1.854 ( -0.000 3.720 0.947) 3.839 2.023 ( 0.000 -0.935 0.753) 1.201 2.517 ( 0.000 -12.758 10.482) 16.511 3.100 ( -0.000 6.391 -6.874) 9.386 3.650 ( 0.000 6.394 5.228) 8.259 4.302 ( -0.000 -19.166 -27.349) 33.396 5.495 ( -0.000 -1.538 -7.439) 7.596 5.909 ( 0.000 14.301 20.090) 24.660 6.642 ( 0.000 -11.760 5.203) 12.860 7.539 ( -0.000 11.642 -1.623) 11.755 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -0.000 0.000 -1.685) 1.685 0.611 ( -0.000 0.000 -1.685) 1.685 1.704 ( 0.000 -0.000 25.838) 25.838 1.934 ( -0.000 0.000 -6.272) 6.272 1.934 ( -0.000 0.000 -6.272) 6.272 2.270 ( -0.000 0.000 -31.817) 31.817 2.270 ( -0.000 0.000 -31.817) 31.817 2.620 ( -0.000 0.000 -8.369) 8.369 6.199 ( 0.000 -0.000 4.441) 4.441 6.199 ( 0.000 -0.000 4.441) 4.441 6.905 ( 0.000 -0.000 1.596) 1.596 7.517 ( -0.000 0.000 -1.427) 1.427 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 5.753 3.322 3.904) 7.706 0.901 ( 10.365 5.984 6.488) 13.614 1.659 ( -8.903 -5.140 2.679) 10.624 1.908 ( 1.073 0.619 -7.099) 7.206 2.061 ( 12.499 7.216 10.086) 17.607 2.457 ( 19.968 11.529 -14.262) 27.112 2.683 ( 28.549 16.483 -29.869) 44.485 2.787 ( 30.913 17.847 -16.709) 39.412 6.022 ( -10.373 -5.989 9.030) 15.000 6.059 ( -14.975 -8.646 5.298) 18.086 6.887 ( -5.884 -3.397 -6.589) 9.464 7.579 ( 4.874 2.814 0.270) 5.634 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 7.456 4.305 7.694) 11.547 1.053 ( 2.957 1.707 9.904) 10.476 1.460 ( -6.507 -3.757 -5.848) 9.521 1.924 ( 2.314 1.336 -5.936) 6.509 2.410 ( 12.633 7.293 9.260) 17.278 2.651 ( 7.143 4.124 -3.946) 9.143 3.287 ( 33.306 19.229 -24.487) 45.593 3.823 ( 53.457 30.863 -9.748) 62.492 5.727 ( -15.307 -8.838 1.398) 17.731 5.816 ( -11.512 -6.647 13.950) 19.269 6.582 ( -16.625 -9.598 -9.640) 21.481 7.636 ( -1.096 -0.633 -0.144) 1.274 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 6.940 4.007 6.500) 10.319 1.126 ( -0.417 -0.241 10.837) 10.848 1.389 ( 3.450 1.992 -8.069) 8.999 1.962 ( 2.674 1.544 -4.358) 5.341 2.647 ( 7.521 4.342 1.780) 8.864 2.800 ( 5.902 3.408 -0.248) 6.820 3.931 ( 29.722 17.160 -16.983) 38.292 4.833 ( 32.140 18.556 -0.522) 37.116 5.348 ( -16.600 -9.584 -15.842) 24.867 5.627 ( -9.690 -5.595 15.660) 19.247 6.251 ( -5.553 -3.206 2.633) 6.932 7.523 ( -8.303 -4.794 -1.010) 9.640 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.049 -0.606 3.665) 3.860 1.185 ( 6.140 3.545 4.277) 8.280 1.526 ( 8.945 5.164 -2.647) 10.662 2.004 ( 2.108 1.217 -3.040) 3.895 2.801 ( 6.470 3.735 0.972) 7.534 2.865 ( -0.113 -0.065 -2.440) 2.443 4.409 ( 14.291 8.251 -2.833) 16.743 4.595 ( -29.007 -16.747 -29.064) 44.347 5.366 ( 5.393 3.113 7.908) 10.066 5.540 ( -0.422 -0.244 6.644) 6.662 6.518 ( 22.775 13.149 7.336) 27.302 7.294 ( -10.767 -6.216 -0.950) 12.469 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.438 0.253 -3.206) 3.246 1.321 ( 4.853 2.802 2.335) 6.071 1.721 ( 8.163 4.713 0.269) 9.429 2.028 ( 0.782 0.451 -2.036) 2.227 2.770 ( -6.988 -4.034 -7.254) 10.850 2.952 ( 6.254 3.611 3.367) 7.968 3.888 ( -21.281 -12.286 -23.010) 33.664 4.503 ( -7.111 -4.106 17.241) 19.096 5.456 ( 1.161 0.670 10.278) 10.365 5.678 ( 12.149 7.014 -11.545) 18.168 6.864 ( -3.281 -1.894 -3.414) 5.099 7.228 ( 12.075 6.971 5.207) 14.883 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.000 16.923 -4.781) 17.585 0.785 ( 0.000 9.975 6.751) 12.045 1.819 ( -0.000 -4.545 -2.218) 5.058 1.847 ( -0.000 -5.219 -13.656) 14.620 1.953 ( 0.000 8.369 13.111) 15.554 2.020 ( -0.000 12.839 -1.617) 12.940 2.614 ( -0.000 6.416 -6.255) 8.960 3.025 ( -0.000 67.462 -32.643) 74.945 5.817 ( 0.000 -31.103 11.997) 33.337 6.306 ( -0.000 1.469 -1.666) 2.221 6.897 ( -0.000 -3.699 -4.563) 5.874 7.552 ( 0.000 2.673 1.045) 2.869 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 1.126 11.492 5.465) 12.775 1.052 ( 5.855 6.590 2.808) 9.252 1.577 ( -10.735 -2.792 -2.770) 11.433 1.901 ( -0.276 2.181 -3.341) 3.999 2.248 ( 24.045 1.244 1.455) 24.121 2.401 ( 13.396 13.460 0.054) 18.990 2.827 ( 22.398 14.060 -1.143) 26.470 3.720 ( 17.416 64.763 -23.557) 71.081 5.546 ( -0.814 -32.300 13.974) 35.203 6.165 ( -13.887 0.031 -3.342) 14.284 6.722 ( -11.095 -7.041 -6.827) 14.808 7.604 ( 2.302 -1.621 1.035) 2.999 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.314 8.663 5.300) 10.683 1.191 ( 2.960 6.149 5.720) 8.905 1.400 ( -7.035 0.845 -2.774) 7.609 1.924 ( 1.750 2.455 -3.406) 4.549 2.595 ( 10.324 -0.066 -6.958) 12.450 2.619 ( 11.423 6.291 5.445) 14.132 3.521 ( 32.775 22.180 -7.666) 40.310 4.577 ( 25.305 38.163 -4.198) 45.982 5.267 ( -3.892 -27.176 5.016) 27.908 5.872 ( -14.236 -1.982 -6.284) 15.687 6.443 ( -13.541 -0.171 2.552) 13.780 7.554 ( -3.304 -7.398 -0.671) 8.130 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.554 4.504 3.355) 5.827 1.257 ( -4.569 7.189 8.570) 12.083 1.426 ( 7.565 6.190 -3.954) 10.544 1.973 ( 2.357 2.441 -3.267) 4.710 2.708 ( 7.278 -0.666 -3.647) 8.167 2.819 ( 5.053 2.368 0.854) 5.645 4.164 ( 22.134 17.105 -14.210) 31.375 4.804 ( -21.612 -12.475 -22.682) 33.722 5.006 ( 11.325 -19.608 16.227) 27.857 5.859 ( -1.266 19.655 3.224) 19.958 6.415 ( 6.088 11.977 9.160) 16.261 7.365 ( -7.654 -10.109 -1.703) 12.793 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -3.607 2.064 0.186) 4.160 1.352 ( 0.635 10.050 4.309) 10.954 1.629 ( 8.951 6.125 0.113) 10.846 2.017 ( 1.327 2.304 -2.988) 4.000 2.762 ( 1.792 -5.859 -7.662) 9.811 2.885 ( 3.237 2.097 2.568) 4.633 3.995 ( -20.369 -18.272 -24.971) 37.045 4.656 ( -1.945 12.273 2.112) 12.604 5.047 ( 18.373 -20.711 6.000) 28.328 5.949 ( -9.189 18.651 5.443) 21.493 6.827 ( 11.626 11.273 2.380) 16.368 7.159 ( -0.891 -5.375 0.934) 5.527 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 9.165 6.767) 11.393 1.054 ( -0.000 11.228 -4.478) 12.088 1.624 ( -0.000 -8.573 -10.659) 13.679 1.790 ( -0.000 2.621 -1.176) 2.873 2.274 ( 0.000 12.141 13.266) 17.984 2.526 ( 0.000 33.339 17.285) 37.553 2.716 ( -0.000 7.044 -3.070) 7.684 4.131 ( -0.000 63.747 -24.149) 68.168 5.287 ( 0.000 -33.830 18.879) 38.741 6.231 ( -0.000 -5.210 -8.725) 10.162 6.701 ( -0.000 -9.117 -10.680) 14.042 7.573 ( 0.000 -3.184 3.381) 4.645 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.059 9.010 1.397) 9.118 1.191 ( 4.384 8.017 -0.720) 9.166 1.487 ( -2.279 -4.401 -5.751) 7.592 1.893 ( 5.130 0.797 -1.731) 5.472 2.420 ( 2.502 10.435 8.101) 13.446 2.678 ( -1.816 10.954 0.743) 11.128 3.273 ( 26.428 27.961 13.606) 40.809 4.672 ( 7.338 36.154 -8.121) 37.774 5.068 ( 1.228 -20.825 12.999) 24.580 6.012 ( -11.597 -6.074 -14.267) 19.364 6.565 ( -2.544 -4.011 -6.660) 8.180 7.520 ( -2.068 -8.066 2.232) 8.621 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 1.889 5.603 0.538) 5.937 1.355 ( 5.349 8.787 1.204) 10.357 1.434 ( -1.500 3.172 -0.845) 3.609 1.951 ( 1.945 1.898 -1.260) 2.995 2.556 ( 4.381 0.827 -0.324) 4.470 2.797 ( 3.858 7.283 1.300) 8.344 3.967 ( 20.262 22.168 2.136) 30.109 4.747 ( 2.218 -23.370 19.126) 30.280 4.966 ( -14.765 -2.711 -16.873) 22.584 5.960 ( 7.971 20.038 -6.082) 22.406 6.520 ( -0.956 5.567 0.971) 5.732 7.360 ( -5.647 -11.670 0.026) 12.964 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -1.770 2.662 0.489) 3.234 1.493 ( -0.452 11.248 4.563) 12.147 1.553 ( 7.492 7.906 -0.276) 10.896 2.000 ( 2.142 2.347 -2.386) 3.973 2.593 ( 4.226 -5.934 -4.618) 8.626 2.893 ( 0.787 2.472 0.717) 2.692 4.073 ( -15.234 -12.666 -15.719) 25.290 4.653 ( 2.662 -25.144 12.372) 28.149 4.786 ( 6.702 20.547 -5.167) 22.221 6.210 ( -1.550 10.859 2.941) 11.357 6.766 ( 13.288 18.778 3.234) 23.230 7.133 ( -6.087 -12.114 -1.158) 13.607 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -0.000 6.315 -6.642) 9.165 1.241 ( 0.000 8.742 5.226) 10.185 1.383 ( -0.000 -5.517 -12.073) 13.274 1.871 ( 0.000 4.014 3.307) 5.201 2.573 ( 0.000 10.586 7.651) 13.061 2.813 ( -0.000 3.591 -0.081) 3.592 3.422 ( 0.000 38.741 27.187) 47.329 4.698 ( 0.000 -26.735 23.362) 35.504 5.135 ( -0.000 34.709 -12.569) 36.914 5.990 ( -0.000 -10.250 -15.203) 18.336 6.481 ( -0.000 -0.849 -14.188) 14.213 7.471 ( 0.000 -9.689 3.639) 10.350 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 1.096 2.405 -3.303) 4.231 1.337 ( 7.858 -1.336 -4.563) 9.184 1.409 ( 1.762 10.903 -2.151) 11.252 1.940 ( 1.835 3.012 2.597) 4.380 2.650 ( -5.242 6.747 6.885) 10.973 2.825 ( 0.475 4.553 0.128) 4.580 3.973 ( 9.302 24.852 19.866) 33.148 4.534 ( 5.407 -25.477 26.305) 37.017 5.193 ( -19.418 3.671 -18.053) 26.766 5.938 ( 10.781 8.606 -10.766) 17.499 6.523 ( 4.271 10.373 -10.152) 15.130 7.341 ( -4.420 -11.659 2.588) 12.734 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.000 -5.142 -3.936) 6.475 1.238 ( -0.000 5.854 -5.326) 7.914 1.510 ( -0.000 12.039 0.081) 12.039 1.968 ( 0.000 3.047 3.580) 4.701 2.786 ( 0.000 5.915 4.711) 7.562 2.846 ( 0.000 0.728 0.385) 0.824 4.270 ( 0.000 -33.284 29.774) 44.657 4.276 ( 0.000 27.609 20.199) 34.209 5.485 ( -0.000 8.486 -13.783) 16.186 5.666 ( -0.000 -8.850 -15.109) 17.510 6.611 ( -0.000 22.060 -9.273) 23.929 7.278 ( 0.000 -11.169 1.983) 11.344 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -0.000 0.000 -14.678) 14.678 0.523 ( -0.000 0.000 -14.678) 14.678 1.861 ( -0.000 0.000 -7.520) 7.520 1.861 ( -0.000 0.000 -7.520) 7.520 1.966 ( 0.000 -0.000 22.374) 22.374 1.991 ( -0.000 0.000 -17.805) 17.805 1.991 ( -0.000 0.000 -17.805) 17.805 2.513 ( -0.000 0.000 -11.418) 11.418 6.239 ( 0.000 -0.000 2.861) 2.861 6.239 ( 0.000 -0.000 2.861) 2.861 6.920 ( 0.000 -0.000 1.174) 1.174 7.503 ( -0.000 0.000 -1.096) 1.096 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 11.618 6.708 0.096) 13.416 0.934 ( 15.101 8.719 -0.460) 17.444 1.664 ( -11.541 -6.663 0.300) 13.330 1.831 ( 1.367 0.789 -6.763) 6.945 2.179 ( 17.209 9.935 8.320) 21.542 2.343 ( 22.674 13.091 -3.268) 26.384 2.383 ( 27.838 16.072 -24.611) 40.484 2.661 ( 28.075 16.209 -7.909) 33.370 6.087 ( -14.784 -8.535 -0.546) 17.080 6.120 ( -7.549 -4.359 8.706) 12.320 6.832 ( -9.255 -5.343 -3.284) 11.180 7.578 ( 5.086 2.936 -0.309) 5.881 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 8.123 4.690 7.325) 11.901 1.117 ( 5.764 3.328 0.873) 6.713 1.436 ( -9.090 -5.248 2.692) 10.836 1.860 ( 2.976 1.718 -5.701) 6.656 2.468 ( 9.046 5.223 -0.447) 10.456 2.623 ( 9.857 5.691 0.846) 11.413 3.012 ( 35.278 20.368 -25.576) 48.099 3.795 ( 56.608 32.683 4.325) 65.508 5.673 ( -20.233 -11.681 -11.314) 25.958 5.972 ( -9.344 -5.395 14.236) 17.863 6.535 ( -14.464 -8.351 1.142) 16.741 7.627 ( -1.439 -0.831 -1.473) 2.221 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.980 3.453 6.928) 9.781 1.251 ( -1.484 -0.857 11.831) 11.955 1.308 ( 4.029 2.326 -6.702) 8.158 1.914 ( 3.342 1.930 -4.425) 5.872 2.637 ( 7.610 4.394 -3.720) 9.543 2.804 ( 5.037 2.908 1.001) 5.902 3.703 ( 33.507 19.345 -24.175) 45.622 4.846 ( 18.130 10.468 -0.916) 20.955 5.144 ( -7.627 -4.403 -16.331) 18.554 5.811 ( -10.014 -5.782 17.355) 20.855 6.337 ( -1.896 -1.095 11.636) 11.841 7.504 ( -8.346 -4.818 -2.452) 9.944 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -0.000 22.442 -6.511) 23.367 0.849 ( -0.000 14.756 5.310) 15.682 1.755 ( -0.000 -7.796 -6.822) 10.359 1.758 ( -0.000 -0.620 -2.758) 2.827 2.048 ( -0.000 18.774 6.354) 19.820 2.106 ( 0.000 10.904 12.015) 16.225 2.526 ( -0.000 9.097 -9.825) 13.390 2.735 ( -0.000 62.677 -19.512) 65.644 5.945 ( 0.000 -25.914 11.030) 28.164 6.271 ( -0.000 -1.521 -4.682) 4.923 6.849 ( -0.000 -7.715 -3.905) 8.647 7.563 ( -0.000 4.308 0.956) 4.412 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 3.809 11.762 2.758) 12.667 1.057 ( 5.972 5.854 -0.771) 8.398 1.564 ( -6.922 -4.860 -0.046) 8.458 1.870 ( 0.639 2.257 -1.855) 2.991 2.237 ( 16.453 8.674 -1.212) 18.639 2.435 ( 5.912 11.733 2.987) 13.474 2.819 ( 19.092 22.152 -0.272) 29.246 3.534 ( 27.795 62.712 -9.492) 69.249 5.676 ( -6.577 -26.586 7.890) 28.502 6.114 ( -10.268 -6.357 -4.251) 12.803 6.674 ( -7.829 -8.115 -2.114) 11.472 7.611 ( 0.770 -0.618 0.304) 1.033 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 4.344 6.211 4.266) 8.697 1.203 ( 6.630 6.690 -2.057) 9.641 1.422 ( -7.833 -0.808 5.562) 9.641 1.894 ( 0.358 3.877 -1.775) 4.279 2.511 ( 10.666 2.644 -8.281) 13.760 2.665 ( 10.514 4.804 2.866) 11.909 3.414 ( 21.416 31.288 -11.872) 39.731 4.583 ( 32.595 35.683 5.419) 48.632 5.231 ( -18.528 -19.973 -12.148) 29.829 5.876 ( -4.216 -11.460 8.289) 14.759 6.496 ( -7.855 -0.518 6.098) 9.958 7.541 ( -4.496 -6.780 -1.585) 8.288 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -0.000 10.460 -6.744) 12.446 1.081 ( 0.000 8.045 6.008) 10.040 1.511 ( -0.000 -10.101 -9.679) 13.990 1.806 ( 0.000 3.650 3.710) 5.204 2.402 ( 0.000 10.407 9.920) 14.378 2.667 ( -0.000 10.118 -5.356) 11.448 2.746 ( 0.000 38.986 22.862) 45.195 3.908 ( -0.000 66.252 -16.060) 68.171 5.501 ( 0.000 -30.001 19.100) 35.565 6.117 ( -0.000 -7.908 -12.200) 14.539 6.593 ( -0.000 -12.551 -8.558) 15.191 7.605 ( 0.000 -2.304 2.513) 3.409 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( -0.000 0.000 -15.952) 15.952 0.330 ( -0.000 0.000 -15.952) 15.952 1.785 ( -0.000 0.000 -4.381) 4.381 1.785 ( -0.000 0.000 -4.381) 4.381 1.886 ( -0.000 0.000 -3.703) 3.703 1.886 ( -0.000 0.000 -3.703) 3.703 2.188 ( 0.000 -0.000 18.631) 18.631 2.370 ( -0.000 0.000 -14.894) 14.894 6.260 ( 0.000 -0.000 0.986) 0.986 6.260 ( 0.000 -0.000 0.986) 0.986 6.929 ( 0.000 -0.000 0.436) 0.436 7.495 ( -0.000 0.000 -0.415) 0.415 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 18.658 10.772 0.888) 21.563 0.903 ( 16.358 9.444 -4.410) 19.397 1.690 ( -9.253 -5.342 4.616) 11.639 1.770 ( 1.115 0.644 -4.084) 4.282 2.164 ( 22.840 13.187 -15.366) 30.523 2.193 ( 18.057 10.426 -3.922) 21.217 2.408 ( 11.348 6.552 11.059) 17.147 2.620 ( 40.324 23.281 1.936) 46.603 6.045 ( -17.628 -10.178 -6.932) 21.503 6.207 ( -4.369 -2.522 7.145) 8.747 6.820 ( -9.294 -5.366 1.092) 10.787 7.573 ( 4.676 2.700 -0.722) 5.447 =================== 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 96.646 96.646 164.773 -0.000 -0.000 -0.000 3/40500 20.0 23.953 23.953 20.579 0.000 -0.000 -0.000 3/40500 30.0 12.063 12.063 9.204 0.000 -0.000 -0.000 3/40500 40.0 8.014 8.014 5.937 0.000 -0.000 -0.000 3/40500 50.0 6.049 6.049 4.449 0.000 -0.000 -0.000 3/40500 60.0 4.898 4.898 3.598 0.000 -0.000 -0.000 3/40500 70.0 4.138 4.138 3.043 0.000 -0.000 -0.000 3/40500 80.0 3.597 3.597 2.647 0.000 -0.000 -0.000 3/40500 90.0 3.189 3.189 2.349 0.000 -0.000 -0.000 3/40500 100.0 2.868 2.868 2.114 0.000 -0.000 -0.000 3/40500 110.0 2.609 2.609 1.924 0.000 -0.000 -0.000 3/40500 120.0 2.394 2.394 1.766 0.000 -0.000 -0.000 3/40500 130.0 2.213 2.213 1.633 0.000 -0.000 -0.000 3/40500 140.0 2.058 2.058 1.518 0.000 -0.000 -0.000 3/40500 150.0 1.923 1.923 1.419 0.000 -0.000 -0.000 3/40500 160.0 1.805 1.805 1.332 0.000 -0.000 -0.000 3/40500 170.0 1.701 1.701 1.255 0.000 -0.000 -0.000 3/40500 180.0 1.608 1.608 1.187 0.000 -0.000 -0.000 3/40500 190.0 1.525 1.525 1.125 0.000 -0.000 -0.000 3/40500 200.0 1.450 1.450 1.070 0.000 -0.000 -0.000 3/40500 210.0 1.382 1.382 1.020 0.000 -0.000 -0.000 3/40500 220.0 1.320 1.320 0.974 0.000 -0.000 -0.000 3/40500 230.0 1.264 1.264 0.933 0.000 -0.000 -0.000 3/40500 240.0 1.212 1.212 0.894 0.000 -0.000 -0.000 3/40500 250.0 1.164 1.164 0.859 0.000 -0.000 -0.000 3/40500 260.0 1.120 1.120 0.826 0.000 -0.000 -0.000 3/40500 270.0 1.079 1.079 0.796 0.000 -0.000 -0.000 3/40500 280.0 1.041 1.041 0.768 0.000 -0.000 -0.000 3/40500 290.0 1.005 1.005 0.742 0.000 -0.000 -0.000 3/40500 300.0 0.972 0.972 0.717 0.000 -0.000 -0.000 3/40500 310.0 0.941 0.941 0.694 0.000 -0.000 -0.000 3/40500 320.0 0.912 0.912 0.673 0.000 -0.000 -0.000 3/40500 330.0 0.884 0.884 0.652 0.000 -0.000 -0.000 3/40500 340.0 0.859 0.859 0.633 0.000 -0.000 -0.000 3/40500 350.0 0.834 0.834 0.615 0.000 -0.000 -0.000 3/40500 360.0 0.811 0.811 0.598 0.000 -0.000 -0.000 3/40500 370.0 0.790 0.790 0.582 0.000 -0.000 -0.000 3/40500 380.0 0.769 0.769 0.567 0.000 -0.000 -0.000 3/40500 390.0 0.749 0.749 0.553 0.000 -0.000 -0.000 3/40500 400.0 0.731 0.731 0.539 0.000 -0.000 -0.000 3/40500 410.0 0.713 0.713 0.526 0.000 -0.000 -0.000 3/40500 420.0 0.696 0.696 0.513 0.000 -0.000 -0.000 3/40500 430.0 0.680 0.680 0.502 0.000 -0.000 -0.000 3/40500 440.0 0.665 0.665 0.490 0.000 -0.000 -0.000 3/40500 450.0 0.650 0.650 0.479 0.000 -0.000 -0.000 3/40500 460.0 0.636 0.636 0.469 0.000 -0.000 -0.000 3/40500 470.0 0.622 0.622 0.459 0.000 -0.000 -0.000 3/40500 480.0 0.609 0.609 0.450 0.000 -0.000 -0.000 3/40500 490.0 0.597 0.597 0.440 0.000 -0.000 -0.000 3/40500 500.0 0.585 0.585 0.432 0.000 -0.000 -0.000 3/40500 510.0 0.574 0.574 0.423 0.000 -0.000 -0.000 3/40500 520.0 0.563 0.563 0.415 0.000 -0.000 -0.000 3/40500 530.0 0.552 0.552 0.407 0.000 -0.000 -0.000 3/40500 540.0 0.542 0.542 0.400 0.000 -0.000 -0.000 3/40500 550.0 0.532 0.532 0.393 0.000 -0.000 -0.000 3/40500 560.0 0.523 0.523 0.386 0.000 -0.000 -0.000 3/40500 570.0 0.514 0.514 0.379 0.000 -0.000 -0.000 3/40500 580.0 0.505 0.505 0.372 0.000 -0.000 -0.000 3/40500 590.0 0.496 0.496 0.366 0.000 -0.000 -0.000 3/40500 600.0 0.488 0.488 0.360 0.000 -0.000 -0.000 3/40500 610.0 0.480 0.480 0.354 0.000 -0.000 -0.000 3/40500 620.0 0.472 0.472 0.348 0.000 -0.000 -0.000 3/40500 630.0 0.465 0.465 0.343 0.000 -0.000 -0.000 3/40500 640.0 0.458 0.458 0.338 0.000 -0.000 -0.000 3/40500 650.0 0.451 0.451 0.332 0.000 -0.000 -0.000 3/40500 660.0 0.444 0.444 0.327 0.000 -0.000 -0.000 3/40500 670.0 0.437 0.437 0.322 0.000 -0.000 -0.000 3/40500 680.0 0.431 0.431 0.318 0.000 -0.000 -0.000 3/40500 690.0 0.425 0.425 0.313 0.000 -0.000 -0.000 3/40500 700.0 0.418 0.418 0.309 0.000 -0.000 -0.000 3/40500 710.0 0.413 0.413 0.304 0.000 -0.000 -0.000 3/40500 720.0 0.407 0.407 0.300 0.000 -0.000 -0.000 3/40500 730.0 0.401 0.401 0.296 0.000 -0.000 -0.000 3/40500 740.0 0.396 0.396 0.292 0.000 -0.000 -0.000 3/40500 750.0 0.391 0.391 0.288 0.000 -0.000 -0.000 3/40500 760.0 0.385 0.385 0.284 0.000 -0.000 -0.000 3/40500 770.0 0.380 0.380 0.281 0.000 -0.000 -0.000 3/40500 780.0 0.376 0.376 0.277 0.000 -0.000 -0.000 3/40500 790.0 0.371 0.371 0.274 0.000 -0.000 -0.000 3/40500 800.0 0.366 0.366 0.270 0.000 -0.000 -0.000 3/40500 810.0 0.362 0.362 0.267 0.000 -0.000 -0.000 3/40500 820.0 0.357 0.357 0.264 0.000 -0.000 -0.000 3/40500 830.0 0.353 0.353 0.260 0.000 -0.000 -0.000 3/40500 840.0 0.349 0.349 0.257 0.000 -0.000 -0.000 3/40500 850.0 0.345 0.345 0.254 0.000 -0.000 -0.000 3/40500 860.0 0.341 0.341 0.251 0.000 -0.000 -0.000 3/40500 870.0 0.337 0.337 0.248 0.000 -0.000 -0.000 3/40500 880.0 0.333 0.333 0.246 0.000 -0.000 -0.000 3/40500 890.0 0.329 0.329 0.243 0.000 -0.000 -0.000 3/40500 900.0 0.326 0.326 0.240 0.000 -0.000 -0.000 3/40500 910.0 0.322 0.322 0.238 0.000 -0.000 -0.000 3/40500 920.0 0.319 0.319 0.235 0.000 -0.000 -0.000 3/40500 930.0 0.315 0.315 0.232 0.000 -0.000 -0.000 3/40500 940.0 0.312 0.312 0.230 0.000 -0.000 -0.000 3/40500 950.0 0.309 0.309 0.228 0.000 -0.000 -0.000 3/40500 960.0 0.305 0.305 0.225 0.000 -0.000 -0.000 3/40500 970.0 0.302 0.302 0.223 0.000 -0.000 -0.000 3/40500 980.0 0.299 0.299 0.221 0.000 -0.000 -0.000 3/40500 990.0 0.296 0.296 0.218 0.000 -0.000 -0.000 3/40500 1000.0 0.293 0.293 0.216 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 2026-01-08 08:18:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|