----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:22:18]------------------------- 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 2.142599080690585 1.237030156002151 7.927625359999992 b -2.142599080690581 1.237030156002151 7.927625359999992 c 0.000000000000002 -2.474060312004307 7.927625359999992 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 *2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 *3 S 0.22943015078209 0.22943015078209 0.22943015078209 32.065 4 S 0.77056984921791 0.77056984921791 0.77056984921791 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.285198161381166 0.000000000000000 0.000000000000000 b -2.142599080690583 3.711090468006458 0.000000000000000 c 0.000000000000000 0.000000000000000 23.782876080000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.66666666666667 0.33333333333333 0.33333333333333 132.905 > 1 3 Cs 0.33333333333333 0.66666666666667 0.66666666666667 132.905 > 1 *4 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 2 5 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 2 6 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 2 *7 S 0.00000000000000 0.00000000000000 0.22943015078209 32.065 > 3 8 S 0.66666666666667 0.33333333333333 0.10390318255124 32.065 > 4 9 S 0.66666666666667 0.33333333333333 0.56276348411543 32.065 > 3 10 S 0.33333333333333 0.66666666666667 0.43723651588457 32.065 > 4 11 S 0.33333333333333 0.66666666666667 0.89609681744876 32.065 > 3 12 S 0.00000000000000 0.00000000000000 0.77056984921791 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.855594484143497 0.000000000000000 0.000000000000000 b -6.427797242071748 11.133271404019375 0.000000000000000 c 0.000000000000000 0.000000000000000 23.782876080000001 Atomic positions (fractional): *1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 *28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 2 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 2 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 2 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 2 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 2 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 2 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 2 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 2 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 2 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 2 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 2 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 2 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 2 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 2 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 2 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 2 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 2 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 2 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 2 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 2 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 2 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 2 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 2 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 2 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 2 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 2 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 2 *55 S 0.00000000000000 0.00000000000000 0.22943015078209 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.22943015078209 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.22943015078209 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.22943015078209 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.22943015078209 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.22943015078209 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.22943015078209 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.22943015078209 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.22943015078209 32.065 > 3 64 S 0.22222222222222 0.11111111111111 0.10390318255124 32.065 > 4 65 S 0.55555555555556 0.11111111111111 0.10390318255124 32.065 > 4 66 S 0.88888888888889 0.11111111111111 0.10390318255124 32.065 > 4 67 S 0.22222222222222 0.44444444444444 0.10390318255124 32.065 > 4 68 S 0.55555555555556 0.44444444444444 0.10390318255124 32.065 > 4 69 S 0.88888888888889 0.44444444444444 0.10390318255124 32.065 > 4 70 S 0.22222222222222 0.77777777777778 0.10390318255124 32.065 > 4 71 S 0.55555555555556 0.77777777777778 0.10390318255124 32.065 > 4 72 S 0.88888888888889 0.77777777777778 0.10390318255124 32.065 > 4 73 S 0.22222222222222 0.11111111111111 0.56276348411543 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.56276348411543 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.56276348411543 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.56276348411543 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.56276348411543 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.56276348411543 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.56276348411543 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.56276348411543 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.56276348411543 32.065 > 3 82 S 0.11111111111111 0.22222222222222 0.43723651588457 32.065 > 4 83 S 0.44444444444444 0.22222222222222 0.43723651588457 32.065 > 4 84 S 0.77777777777778 0.22222222222222 0.43723651588457 32.065 > 4 85 S 0.11111111111111 0.55555555555556 0.43723651588457 32.065 > 4 86 S 0.44444444444444 0.55555555555556 0.43723651588457 32.065 > 4 87 S 0.77777777777778 0.55555555555556 0.43723651588457 32.065 > 4 88 S 0.11111111111111 0.88888888888889 0.43723651588457 32.065 > 4 89 S 0.44444444444444 0.88888888888889 0.43723651588457 32.065 > 4 90 S 0.77777777777778 0.88888888888889 0.43723651588457 32.065 > 4 91 S 0.11111111111111 0.22222222222222 0.89609681744876 32.065 > 3 92 S 0.44444444444444 0.22222222222222 0.89609681744876 32.065 > 3 93 S 0.77777777777778 0.22222222222222 0.89609681744876 32.065 > 3 94 S 0.11111111111111 0.55555555555556 0.89609681744876 32.065 > 3 95 S 0.44444444444444 0.55555555555556 0.89609681744876 32.065 > 3 96 S 0.77777777777778 0.55555555555556 0.89609681744876 32.065 > 3 97 S 0.11111111111111 0.88888888888889 0.89609681744876 32.065 > 3 98 S 0.44444444444444 0.88888888888889 0.89609681744876 32.065 > 3 99 S 0.77777777777778 0.88888888888889 0.89609681744876 32.065 > 3 100 S 0.00000000000000 0.00000000000000 0.77056984921791 32.065 > 4 101 S 0.33333333333333 0.00000000000000 0.77056984921791 32.065 > 4 102 S 0.66666666666667 0.00000000000000 0.77056984921791 32.065 > 4 103 S 0.00000000000000 0.33333333333333 0.77056984921791 32.065 > 4 104 S 0.33333333333333 0.33333333333333 0.77056984921791 32.065 > 4 105 S 0.66666666666667 0.33333333333333 0.77056984921791 32.065 > 4 106 S 0.00000000000000 0.66666666666667 0.77056984921791 32.065 > 4 107 S 0.33333333333333 0.66666666666667 0.77056984921791 32.065 > 4 108 S 0.66666666666667 0.66666666666667 0.77056984921791 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3336068 -0.0000000 0.0000000 0.0000000 5.3336068 0.0000000 0.0000000 0.0000000 4.4063353 -------------------------- Born effective charges -------------------------- 1 Cs 1.1208042 -0.0000000 0.0000000 0.0000000 1.1208042 0.0000000 0.0000000 0.0000000 2.0353803 2 La 4.5204918 -0.0000000 0.0000000 0.0000000 4.5204918 0.0000000 0.0000000 0.0000000 2.1297524 3 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 4 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 ---------------------------------------------------------------------------- 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: 169 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): 0.010 Solver_block: 80 / 80 - Time: 0.123 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134 --------------------------------- 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:22:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:22:23]------------------------- 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 2.142599080690585 1.237030156002151 7.927625359999992 b -2.142599080690581 1.237030156002151 7.927625359999992 c 0.000000000000002 -2.474060312004307 7.927625359999992 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 3 S 0.22943015078209 0.22943015078209 0.22943015078209 32.065 4 S 0.77056984921791 0.77056984921791 0.77056984921791 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.855594484143497 0.000000000000000 0.000000000000000 b -6.427797242071748 11.133271404019375 0.000000000000000 c 0.000000000000000 0.000000000000000 23.782876080000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 28 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 28 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 28 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 28 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 28 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 28 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 28 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 28 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 28 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 28 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 28 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 28 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 28 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 28 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 28 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 28 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 28 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 28 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 28 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 28 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 28 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 28 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 28 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 28 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 28 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 28 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 28 55 S 0.00000000000000 0.00000000000000 0.22943015078209 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22943015078209 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22943015078209 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22943015078209 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22943015078209 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22943015078209 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22943015078209 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22943015078209 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22943015078209 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10390318255124 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10390318255124 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10390318255124 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10390318255124 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10390318255124 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10390318255124 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10390318255124 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10390318255124 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10390318255124 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56276348411543 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56276348411543 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56276348411543 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56276348411543 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56276348411543 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56276348411543 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56276348411543 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56276348411543 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56276348411543 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43723651588457 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43723651588457 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43723651588457 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43723651588457 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43723651588457 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43723651588457 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43723651588457 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43723651588457 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43723651588457 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89609681744876 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89609681744876 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89609681744876 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89609681744876 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89609681744876 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89609681744876 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89609681744876 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89609681744876 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89609681744876 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77056984921791 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77056984921791 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77056984921791 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77056984921791 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77056984921791 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77056984921791 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77056984921791 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77056984921791 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77056984921791 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3336068 -0.0000000 0.0000000 0.0000000 5.3336068 0.0000000 0.0000000 0.0000000 4.4063353 -------------------------- Born effective charges -------------------------- 1 Cs 1.1208042 -0.0000000 0.0000000 0.0000000 1.1208042 0.0000000 0.0000000 0.0000000 2.0353803 2 La 4.5204918 -0.0000000 0.0000000 0.0000000 4.5204918 0.0000000 0.0000000 0.0000000 2.1297524 3 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 4 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 ---------------------------------------------------------------------------- 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 17:22:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:22:28]------------------------- 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 2.142599080690585 1.237030156002151 7.927625359999992 b -2.142599080690581 1.237030156002151 7.927625359999992 c 0.000000000000002 -2.474060312004307 7.927625359999992 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 2 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 3 S 0.22943015078209 0.22943015078209 0.22943015078209 32.065 4 S 0.77056984921791 0.77056984921791 0.77056984921791 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.855594484143497 0.000000000000000 0.000000000000000 b -6.427797242071748 11.133271404019375 0.000000000000000 c 0.000000000000000 0.000000000000000 23.782876080000001 Atomic positions (fractional): 1 Cs 0.00000000000000 0.00000000000000 0.00000000000000 132.905 > 1 2 Cs 0.33333333333333 0.00000000000000 0.00000000000000 132.905 > 1 3 Cs 0.66666666666667 0.00000000000000 0.00000000000000 132.905 > 1 4 Cs 0.00000000000000 0.33333333333333 0.00000000000000 132.905 > 1 5 Cs 0.33333333333333 0.33333333333333 0.00000000000000 132.905 > 1 6 Cs 0.66666666666667 0.33333333333333 0.00000000000000 132.905 > 1 7 Cs 0.00000000000000 0.66666666666667 0.00000000000000 132.905 > 1 8 Cs 0.33333333333333 0.66666666666667 0.00000000000000 132.905 > 1 9 Cs 0.66666666666667 0.66666666666667 0.00000000000000 132.905 > 1 10 Cs 0.22222222222222 0.11111111111111 0.33333333333333 132.905 > 1 11 Cs 0.55555555555556 0.11111111111111 0.33333333333333 132.905 > 1 12 Cs 0.88888888888889 0.11111111111111 0.33333333333333 132.905 > 1 13 Cs 0.22222222222222 0.44444444444444 0.33333333333333 132.905 > 1 14 Cs 0.55555555555556 0.44444444444444 0.33333333333333 132.905 > 1 15 Cs 0.88888888888889 0.44444444444444 0.33333333333333 132.905 > 1 16 Cs 0.22222222222222 0.77777777777778 0.33333333333333 132.905 > 1 17 Cs 0.55555555555556 0.77777777777778 0.33333333333333 132.905 > 1 18 Cs 0.88888888888889 0.77777777777778 0.33333333333333 132.905 > 1 19 Cs 0.11111111111111 0.22222222222222 0.66666666666667 132.905 > 1 20 Cs 0.44444444444444 0.22222222222222 0.66666666666667 132.905 > 1 21 Cs 0.77777777777778 0.22222222222222 0.66666666666667 132.905 > 1 22 Cs 0.11111111111111 0.55555555555556 0.66666666666667 132.905 > 1 23 Cs 0.44444444444444 0.55555555555556 0.66666666666667 132.905 > 1 24 Cs 0.77777777777778 0.55555555555556 0.66666666666667 132.905 > 1 25 Cs 0.11111111111111 0.88888888888889 0.66666666666667 132.905 > 1 26 Cs 0.44444444444444 0.88888888888889 0.66666666666667 132.905 > 1 27 Cs 0.77777777777778 0.88888888888889 0.66666666666667 132.905 > 1 28 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 28 29 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 28 30 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 28 31 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 28 32 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 28 33 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 28 34 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 28 35 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 28 36 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 28 37 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 28 38 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 28 39 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 28 40 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 28 41 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 28 42 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 28 43 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 28 44 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 28 45 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 28 46 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 28 47 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 28 48 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 28 49 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 28 50 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 28 51 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 28 52 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 28 53 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 28 54 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 28 55 S 0.00000000000000 0.00000000000000 0.22943015078209 32.065 > 55 56 S 0.33333333333333 0.00000000000000 0.22943015078209 32.065 > 55 57 S 0.66666666666667 0.00000000000000 0.22943015078209 32.065 > 55 58 S 0.00000000000000 0.33333333333333 0.22943015078209 32.065 > 55 59 S 0.33333333333333 0.33333333333333 0.22943015078209 32.065 > 55 60 S 0.66666666666667 0.33333333333333 0.22943015078209 32.065 > 55 61 S 0.00000000000000 0.66666666666667 0.22943015078209 32.065 > 55 62 S 0.33333333333333 0.66666666666667 0.22943015078209 32.065 > 55 63 S 0.66666666666667 0.66666666666667 0.22943015078209 32.065 > 55 64 S 0.22222222222222 0.11111111111111 0.10390318255124 32.065 > 64 65 S 0.55555555555556 0.11111111111111 0.10390318255124 32.065 > 64 66 S 0.88888888888889 0.11111111111111 0.10390318255124 32.065 > 64 67 S 0.22222222222222 0.44444444444444 0.10390318255124 32.065 > 64 68 S 0.55555555555556 0.44444444444444 0.10390318255124 32.065 > 64 69 S 0.88888888888889 0.44444444444444 0.10390318255124 32.065 > 64 70 S 0.22222222222222 0.77777777777778 0.10390318255124 32.065 > 64 71 S 0.55555555555556 0.77777777777778 0.10390318255124 32.065 > 64 72 S 0.88888888888889 0.77777777777778 0.10390318255124 32.065 > 64 73 S 0.22222222222222 0.11111111111111 0.56276348411543 32.065 > 55 74 S 0.55555555555556 0.11111111111111 0.56276348411543 32.065 > 55 75 S 0.88888888888889 0.11111111111111 0.56276348411543 32.065 > 55 76 S 0.22222222222222 0.44444444444444 0.56276348411543 32.065 > 55 77 S 0.55555555555556 0.44444444444444 0.56276348411543 32.065 > 55 78 S 0.88888888888889 0.44444444444444 0.56276348411543 32.065 > 55 79 S 0.22222222222222 0.77777777777778 0.56276348411543 32.065 > 55 80 S 0.55555555555556 0.77777777777778 0.56276348411543 32.065 > 55 81 S 0.88888888888889 0.77777777777778 0.56276348411543 32.065 > 55 82 S 0.11111111111111 0.22222222222222 0.43723651588457 32.065 > 64 83 S 0.44444444444444 0.22222222222222 0.43723651588457 32.065 > 64 84 S 0.77777777777778 0.22222222222222 0.43723651588457 32.065 > 64 85 S 0.11111111111111 0.55555555555556 0.43723651588457 32.065 > 64 86 S 0.44444444444444 0.55555555555556 0.43723651588457 32.065 > 64 87 S 0.77777777777778 0.55555555555556 0.43723651588457 32.065 > 64 88 S 0.11111111111111 0.88888888888889 0.43723651588457 32.065 > 64 89 S 0.44444444444444 0.88888888888889 0.43723651588457 32.065 > 64 90 S 0.77777777777778 0.88888888888889 0.43723651588457 32.065 > 64 91 S 0.11111111111111 0.22222222222222 0.89609681744876 32.065 > 55 92 S 0.44444444444444 0.22222222222222 0.89609681744876 32.065 > 55 93 S 0.77777777777778 0.22222222222222 0.89609681744876 32.065 > 55 94 S 0.11111111111111 0.55555555555556 0.89609681744876 32.065 > 55 95 S 0.44444444444444 0.55555555555556 0.89609681744876 32.065 > 55 96 S 0.77777777777778 0.55555555555556 0.89609681744876 32.065 > 55 97 S 0.11111111111111 0.88888888888889 0.89609681744876 32.065 > 55 98 S 0.44444444444444 0.88888888888889 0.89609681744876 32.065 > 55 99 S 0.77777777777778 0.88888888888889 0.89609681744876 32.065 > 55 100 S 0.00000000000000 0.00000000000000 0.77056984921791 32.065 > 64 101 S 0.33333333333333 0.00000000000000 0.77056984921791 32.065 > 64 102 S 0.66666666666667 0.00000000000000 0.77056984921791 32.065 > 64 103 S 0.00000000000000 0.33333333333333 0.77056984921791 32.065 > 64 104 S 0.33333333333333 0.33333333333333 0.77056984921791 32.065 > 64 105 S 0.66666666666667 0.33333333333333 0.77056984921791 32.065 > 64 106 S 0.00000000000000 0.66666666666667 0.77056984921791 32.065 > 64 107 S 0.33333333333333 0.66666666666667 0.77056984921791 32.065 > 64 108 S 0.66666666666667 0.66666666666667 0.77056984921791 32.065 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3336068 -0.0000000 0.0000000 0.0000000 5.3336068 0.0000000 0.0000000 0.0000000 4.4063353 -------------------------- Born effective charges -------------------------- 1 Cs 1.1208042 -0.0000000 0.0000000 0.0000000 1.1208042 0.0000000 0.0000000 0.0000000 2.0353803 2 La 4.5204918 -0.0000000 0.0000000 0.0000000 4.5204918 0.0000000 0.0000000 0.0000000 2.1297524 3 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 4 S -2.8206480 0.0000000 0.0000000 0.0000000 -2.8206480 0.0000000 0.0000000 0.0000000 -2.0825664 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.83, Number of G-points: 313, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 17.649 10.190 -5.010) 20.986 0.388 ( 17.547 10.131 -3.116) 20.500 0.792 ( 31.557 18.219 12.423) 38.498 1.679 ( 1.771 1.023 0.533) 2.114 1.760 ( 8.643 4.990 -1.844) 10.149 2.902 ( -1.371 -0.791 1.660) 2.294 4.887 ( 1.273 0.735 0.178) 1.481 5.614 ( -1.733 -1.001 -0.046) 2.002 5.630 ( -0.507 -0.292 -0.269) 0.644 6.195 ( -0.059 -0.034 -9.978) 9.979 7.078 ( -6.777 -3.913 2.128) 8.110 8.136 ( -0.789 -0.456 -8.120) 8.171 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 16.199 9.352 -4.745) 19.297 0.754 ( 16.348 9.439 -5.071) 19.547 1.391 ( 17.715 10.228 9.700) 22.639 1.745 ( 4.156 2.400 1.065) 4.916 2.096 ( 22.878 13.209 -2.001) 26.493 2.864 ( -2.066 -1.193 -0.744) 2.499 4.930 ( 2.545 1.470 0.161) 2.944 5.563 ( -2.680 -1.547 0.008) 3.095 5.601 ( -2.085 -1.204 -0.754) 2.523 6.154 ( -1.896 -1.095 -1.930) 2.918 6.888 ( -10.653 -6.151 3.777) 12.868 8.061 ( -3.861 -2.229 -8.202) 9.336 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 12.275 7.087 -4.224) 14.790 1.080 ( 14.610 8.435 -7.408) 18.425 1.678 ( 8.003 4.621 5.318) 10.662 1.878 ( 7.616 4.397 1.357) 8.898 2.658 ( 20.398 11.777 -5.289) 24.140 2.840 ( 5.055 2.919 4.242) 7.216 4.997 ( 3.403 1.965 -0.106) 3.931 5.505 ( -2.285 -1.319 0.214) 2.647 5.531 ( -3.728 -2.152 -1.466) 4.548 6.098 ( -3.174 -1.833 1.780) 4.075 6.647 ( -11.738 -6.777 4.237) 14.201 7.918 ( -6.477 -3.739 -8.771) 11.527 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 7.157 4.132 -3.200) 8.863 1.361 ( 12.997 7.504 -9.013) 17.507 1.825 ( 4.488 2.591 3.219) 6.100 2.085 ( 10.241 5.912 1.075) 11.874 2.688 ( -3.944 -2.277 -1.000) 4.663 3.322 ( 23.606 13.629 1.795) 27.317 5.070 ( 2.958 1.708 -0.493) 3.451 5.442 ( -3.476 -2.007 -1.915) 4.448 5.474 ( -0.372 -0.215 0.511) 0.667 6.018 ( -4.987 -2.879 3.833) 6.917 6.403 ( -10.791 -6.230 2.230) 12.659 7.738 ( -7.044 -4.067 -7.676) 11.183 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 3.618 2.089 -2.011) 4.636 1.610 ( 12.036 6.949 -9.003) 16.560 1.908 ( 2.495 1.440 2.087) 3.557 2.311 ( 9.251 5.341 0.578) 10.698 2.574 ( -6.539 -3.776 2.876) 8.080 3.768 ( 15.813 9.130 -0.109) 18.260 5.117 ( 1.333 0.770 -0.647) 1.669 5.384 ( -0.868 -0.501 -1.661) 1.940 5.494 ( 1.823 1.052 0.611) 2.192 5.891 ( -7.885 -4.552 4.952) 10.364 6.203 ( -6.632 -3.829 -1.630) 7.830 7.576 ( -5.527 -3.191 -4.850) 8.016 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 1.529 0.883 -0.956) 2.007 1.841 ( 10.611 6.126 -7.111) 14.167 1.953 ( 1.226 0.708 0.933) 1.695 2.419 ( -8.127 -4.692 4.737) 10.512 2.478 ( 5.294 3.057 0.226) 6.117 4.019 ( 7.143 4.124 -0.705) 8.279 5.131 ( 0.306 0.177 -0.408) 0.540 5.403 ( 3.024 1.746 -0.891) 3.604 5.542 ( 1.864 1.076 0.373) 2.184 5.701 ( -9.557 -5.518 2.716) 11.365 6.112 ( -1.487 -0.858 -1.840) 2.517 7.470 ( -2.992 -1.727 -1.974) 3.979 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.985 ( -0.000 -0.000 0.000) 0.000 2.303 ( 0.000 0.000 -0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.527 ( -0.000 -0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -0.000 20.695 9.635) 22.828 0.466 ( -0.000 19.734 12.927) 23.591 0.749 ( -0.000 34.667 5.081) 35.038 1.665 ( 0.000 1.519 -2.404) 2.844 1.767 ( -0.000 10.543 -0.292) 10.547 2.910 ( -0.000 -3.015 3.113) 4.334 4.887 ( -0.000 1.476 0.260) 1.499 5.613 ( 0.000 -2.043 -0.295) 2.064 5.630 ( 0.000 -0.520 -0.192) 0.555 6.132 ( 0.000 4.140 -22.245) 22.627 7.086 ( -0.000 -7.918 3.442) 8.634 8.117 ( 0.000 1.676 -11.159) 11.284 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 2.461 16.421 9.876) 19.320 0.799 ( 6.012 22.455 -1.611) 23.301 1.252 ( 16.814 18.454 9.929) 26.867 1.711 ( 3.611 3.004 -1.910) 5.071 1.972 ( 9.557 19.003 -1.303) 21.310 2.873 ( -1.296 -2.370 -1.125) 2.926 4.915 ( 1.176 2.081 0.414) 2.426 5.578 ( -1.262 -2.458 -0.311) 2.780 5.612 ( -1.109 -1.452 -0.536) 1.904 6.124 ( 1.804 -1.110 -9.763) 9.990 6.959 ( -5.580 -10.317 4.815) 12.680 8.071 ( -2.659 -1.002 -9.203) 9.632 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 9.190 11.224 3.077) 14.829 1.088 ( 5.612 18.882 -4.787) 20.271 1.602 ( 9.107 6.358 6.385) 12.811 1.834 ( 5.769 6.962 -0.022) 9.042 2.445 ( 20.101 22.407 -2.423) 30.199 2.828 ( -0.282 -1.417 -0.324) 1.481 4.969 ( 2.438 2.529 0.414) 3.537 5.529 ( -1.870 -1.745 -0.205) 2.566 5.558 ( -2.705 -2.632 -1.148) 3.945 6.103 ( 0.201 -2.723 -2.931) 4.005 6.751 ( -8.639 -10.816 5.603) 14.934 7.952 ( -5.491 -3.431 -9.222) 11.268 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.510 6.944 -1.035) 11.821 1.316 ( 4.861 14.075 -6.189) 16.125 1.776 ( 5.548 2.798 3.624) 7.193 2.034 ( 7.236 11.303 0.720) 13.441 2.698 ( -0.484 -1.206 -4.618) 4.797 3.101 ( 20.981 17.688 3.554) 27.671 5.042 ( 2.899 2.897 0.183) 4.102 5.472 ( -3.472 -2.806 -1.719) 4.784 5.490 ( -1.353 -0.181 0.024) 1.365 6.058 ( -1.854 -3.133 0.343) 3.656 6.509 ( -9.799 -10.161 4.644) 14.860 7.780 ( -6.597 -5.011 -8.478) 11.854 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.038 4.272 -1.758) 7.602 1.504 ( 6.767 10.334 -7.563) 14.484 1.877 ( 3.447 1.123 2.346) 4.318 2.274 ( 6.550 12.650 0.758) 14.265 2.631 ( -3.414 -2.953 0.131) 4.516 3.593 ( 17.567 13.101 0.953) 21.935 5.111 ( 1.628 3.017 -0.215) 3.435 5.395 ( -2.114 -1.644 -1.681) 3.162 5.488 ( 0.385 1.327 0.273) 1.409 5.982 ( -4.576 -2.767 2.826) 6.048 6.267 ( -8.724 -8.666 0.552) 12.309 7.605 ( -5.213 -5.324 -5.917) 9.515 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 2.098 3.228 -1.192) 4.030 1.705 ( 9.653 7.411 -7.700) 14.402 1.933 ( 2.024 0.101 1.314) 2.415 2.440 ( 0.164 1.243 2.537) 2.830 2.564 ( -3.376 7.253 1.249) 8.097 3.922 ( 10.308 6.756 -0.170) 12.326 5.150 ( -0.318 3.081 -0.445) 3.129 5.374 ( 1.200 0.095 -0.992) 1.560 5.522 ( 1.455 1.540 0.407) 2.158 5.847 ( -10.063 -2.565 3.896) 11.091 6.099 ( -1.820 -5.327 -3.151) 6.451 7.479 ( -2.602 -4.522 -2.695) 5.872 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.088 2.408 -0.544) 2.470 1.900 ( 8.563 3.448 -5.805) 10.905 1.956 ( 0.830 -0.527 0.213) 1.007 2.345 ( -5.304 -4.524 3.903) 7.990 2.638 ( -3.881 12.434 0.050) 13.026 4.074 ( 3.444 1.685 0.013) 3.834 5.163 ( -1.387 3.150 -0.314) 3.456 5.428 ( 4.692 0.064 -0.320) 4.704 5.542 ( -1.270 0.204 0.510) 1.384 5.674 ( -8.088 1.177 1.012) 8.236 6.061 ( 1.939 -3.317 -1.460) 4.110 7.417 ( 0.146 -3.018 -0.354) 3.043 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.640 1.418 0.222) 2.180 1.939 ( -4.291 -4.237 2.699) 6.607 1.950 ( 0.012 -1.548 -1.311) 2.029 2.316 ( 4.509 1.651 -2.298) 5.323 2.637 ( -8.945 9.560 -0.167) 13.093 4.078 ( -2.992 -2.101 0.799) 3.742 5.164 ( -1.837 2.824 0.015) 3.369 5.432 ( -2.037 -4.098 0.534) 4.608 5.542 ( 0.101 1.602 0.485) 1.677 5.662 ( 2.074 6.838 -1.634) 7.330 6.070 ( 2.818 -2.803 0.475) 4.003 7.425 ( 3.166 -1.291 1.368) 3.683 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -3.346 -0.254 1.138) 3.543 1.772 ( -10.190 -4.975 7.007) 13.330 1.917 ( -1.293 -1.993 -2.152) 3.206 2.415 ( 1.572 0.428 -2.912) 3.337 2.552 ( -6.846 7.281 -1.419) 10.094 3.927 ( -11.270 -5.796 0.840) 12.701 5.153 ( -2.363 1.687 0.337) 2.923 5.385 ( -0.346 -0.956 1.390) 1.722 5.521 ( -2.429 -0.177 0.038) 2.436 5.810 ( 6.434 6.995 -4.256) 10.413 6.120 ( 5.686 -0.925 1.584) 5.974 7.507 ( 6.266 0.416 3.446) 7.164 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -6.053 -3.509 2.477) 7.422 1.573 ( -12.115 -1.840 7.726) 14.486 1.853 ( -2.980 -2.626 -2.849) 4.888 2.267 ( -14.150 0.567 -0.860) 14.188 2.624 ( 5.594 2.682 -1.491) 6.381 3.587 ( -20.923 -9.038 -0.232) 22.793 5.114 ( -3.395 -0.254 0.389) 3.427 5.410 ( 2.630 0.882 1.735) 3.272 5.486 ( -1.516 0.705 -0.187) 1.682 5.948 ( 5.276 3.960 -4.544) 8.010 6.263 ( 10.233 2.046 -0.252) 10.438 7.658 ( 8.524 1.938 5.456) 10.304 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -10.556 -6.973 3.638) 13.164 1.375 ( -14.683 1.685 6.678) 16.218 1.742 ( -5.926 -3.450 -3.663) 7.774 2.025 ( -13.505 -0.355 -1.160) 13.559 2.729 ( 4.215 1.160 1.998) 4.806 3.074 ( -27.999 -9.930 -2.242) 29.792 5.042 ( -3.980 -1.416 0.174) 4.228 5.484 ( 3.217 1.374 0.473) 3.529 5.492 ( 1.697 1.311 0.704) 2.257 6.042 ( 4.278 1.765 -3.028) 5.530 6.478 ( 12.622 3.032 -2.132) 13.155 7.845 ( 8.770 2.493 5.846) 10.831 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -14.885 -6.750 2.692) 16.564 1.135 ( -19.176 2.646 5.205) 20.045 1.551 ( -12.010 -4.067 -4.410) 13.425 1.829 ( -8.680 -0.523 -0.993) 8.752 2.462 ( -30.861 -6.780 1.127) 31.617 2.827 ( 3.443 0.415 -0.421) 3.493 4.967 ( -3.433 -1.032 -0.010) 3.585 5.529 ( 2.477 0.952 -0.115) 2.656 5.566 ( 3.515 0.684 0.640) 3.638 6.112 ( 3.610 0.601 -1.070) 3.813 6.717 ( 13.191 2.331 -1.738) 13.508 8.013 ( 6.740 1.620 4.013) 8.010 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -17.068 -0.000 0.000) 17.068 0.810 ( -22.714 -0.000 0.000) 22.714 1.204 ( -26.226 -0.000 0.000) 26.226 1.719 ( -4.271 -0.000 0.000) 4.271 1.978 ( -21.035 -0.000 0.000) 21.035 2.877 ( 2.109 0.000 -0.000) 2.109 4.913 ( -2.391 -0.000 0.000) 2.391 5.580 ( 2.768 0.000 -0.000) 2.768 5.614 ( 1.780 0.000 -0.000) 1.780 6.170 ( 3.101 0.000 -0.000) 3.101 6.936 ( 11.509 0.000 -0.000) 11.509 8.115 ( 3.671 0.000 -0.000) 3.671 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.000 17.294 11.375) 20.699 0.904 ( -0.000 19.525 7.611) 20.956 1.324 ( -0.000 20.616 5.015) 21.218 1.695 ( 0.000 4.127 -4.469) 6.083 2.112 ( -0.000 25.842 -0.393) 25.845 2.851 ( 0.000 -3.277 -2.298) 4.002 4.933 ( -0.000 3.092 0.516) 3.134 5.558 ( 0.000 -3.237 -0.536) 3.281 5.605 ( 0.000 -2.056 -0.431) 2.100 6.058 ( 0.000 -1.338 -10.905) 10.986 6.905 ( -0.000 -13.051 4.920) 13.947 8.061 ( 0.000 -1.677 -7.806) 7.984 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -3.570 15.880 10.354) 19.290 1.185 ( 4.062 17.446 0.139) 17.913 1.562 ( 5.968 9.519 5.477) 12.499 1.794 ( 6.613 7.871 -2.670) 10.622 2.450 ( 8.116 28.374 -2.542) 29.622 2.810 ( 0.063 -1.957 -1.392) 2.403 4.974 ( 0.799 3.675 0.734) 3.832 5.522 ( -0.288 -2.845 -0.614) 2.925 5.566 ( -1.603 -2.829 -0.649) 3.316 6.031 ( 2.233 -3.352 -6.785) 7.891 6.753 ( -4.033 -13.804 5.133) 15.270 7.979 ( -4.138 -3.409 -7.335) 9.086 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.834 11.801 5.558) 13.071 1.381 ( 2.331 13.934 -3.916) 14.661 1.726 ( 5.046 4.037 3.478) 7.339 2.026 ( 8.711 12.800 0.178) 15.484 2.670 ( 0.647 0.225 -7.233) 7.265 3.011 ( 13.522 21.942 4.151) 26.106 5.037 ( 1.927 4.117 1.040) 4.663 5.486 ( -1.761 -2.882 -1.412) 3.661 5.506 ( -1.346 -1.203 -0.416) 1.853 6.014 ( 1.814 -4.481 -3.511) 5.974 6.550 ( -6.443 -13.036 5.054) 15.394 7.821 ( -6.910 -5.080 -7.154) 11.168 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 3.193 8.164 1.770) 8.943 1.518 ( 2.143 10.444 -5.577) 12.032 1.835 ( 3.704 1.611 2.596) 4.801 2.304 ( 7.247 14.715 1.002) 16.433 2.635 ( -0.348 -1.741 -2.530) 3.091 3.467 ( 14.815 17.726 1.619) 23.159 5.117 ( 2.049 4.432 1.080) 5.001 5.410 ( -2.615 -2.507 -1.507) 3.924 5.500 ( 0.073 1.418 -0.798) 1.629 5.983 ( 0.544 -4.124 -1.605) 4.459 6.324 ( -8.132 -11.299 3.609) 14.381 7.628 ( -6.668 -6.088 -5.933) 10.805 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 2.529 6.007 0.321) 6.525 1.639 ( 4.552 7.779 -6.096) 10.881 1.900 ( 2.409 0.209 1.616) 2.908 2.458 ( -0.223 -0.371 2.573) 2.609 2.689 ( 1.698 14.457 -0.333) 14.560 3.820 ( 10.879 9.699 0.409) 14.581 5.185 ( 0.532 4.278 0.684) 4.365 5.359 ( -0.504 -1.126 -1.016) 1.598 5.526 ( 0.808 2.808 -1.057) 3.107 5.947 ( -1.404 -2.059 0.846) 2.632 6.090 ( -7.819 -9.176 -0.164) 12.056 7.466 ( -3.668 -6.078 -3.494) 7.913 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.011 4.726 -0.140) 4.728 1.784 ( 7.160 4.633 -5.586) 10.195 1.933 ( 1.417 -0.449 0.592) 1.600 2.390 ( -3.953 -4.962 3.729) 7.358 2.860 ( -2.954 19.306 -0.037) 19.530 4.018 ( 5.747 2.884 0.223) 6.434 5.221 ( -1.037 3.934 0.309) 4.080 5.366 ( 2.167 -0.740 -0.249) 2.303 5.568 ( 0.732 3.535 -1.116) 3.778 5.832 ( -9.952 -1.639 2.112) 10.305 5.976 ( 2.344 -4.766 -2.346) 5.806 7.374 ( -0.180 -5.074 -1.096) 5.194 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.893 3.636 0.019) 4.100 1.891 ( 3.816 -1.249 -3.160) 5.109 1.946 ( 0.457 -0.588 -0.377) 0.835 2.301 ( -2.022 -1.902 1.962) 3.399 2.931 ( -9.894 17.045 -0.151) 19.709 4.080 ( 0.969 -1.379 0.707) 1.828 5.231 ( -2.043 3.418 0.134) 3.984 5.389 ( 1.748 -2.860 0.184) 3.357 5.613 ( -1.401 6.225 0.181) 6.383 5.704 ( -3.115 0.807 -0.677) 3.289 5.981 ( 3.150 -3.786 -0.455) 4.946 7.353 ( 2.797 -3.546 0.593) 4.555 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -3.688 1.980 0.418) 4.206 1.868 ( -3.463 -4.251 2.810) 6.161 1.909 ( -1.798 -1.704 -1.864) 3.100 2.330 ( 4.922 1.216 -2.194) 5.524 2.858 ( -15.232 12.171 -0.251) 19.499 4.025 ( -5.346 -3.806 0.951) 6.631 5.220 ( -2.729 2.331 0.251) 3.598 5.373 ( 0.186 -2.293 0.517) 2.358 5.593 ( -4.796 2.802 1.631) 5.789 5.775 ( 4.944 6.406 -3.917) 8.990 6.009 ( 4.956 -3.704 1.118) 6.287 7.404 ( 5.969 -1.839 2.000) 6.558 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -5.954 -0.590 0.979) 6.062 1.748 ( -8.062 -1.349 5.465) 9.832 1.857 ( -1.603 -2.355 -3.059) 4.180 2.413 ( 2.111 0.719 -2.071) 3.044 2.688 ( -13.418 6.497 -0.438) 14.914 3.820 ( -14.536 -5.087 0.477) 15.408 5.181 ( -3.979 0.758 0.243) 4.058 5.378 ( 1.977 -0.484 0.899) 2.225 5.544 ( -3.989 1.874 0.793) 4.478 5.897 ( 4.212 4.331 -4.141) 7.324 6.105 ( 9.242 -1.208 1.021) 9.377 7.529 ( 9.109 -0.137 2.989) 9.588 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -8.992 -2.010 1.301) 9.306 1.610 ( -10.263 0.966 3.789) 10.983 1.786 ( -3.558 -2.024 -2.265) 4.679 2.289 ( -15.735 1.253 -0.495) 15.792 2.658 ( 4.071 1.220 -0.258) 4.258 3.449 ( -24.225 -4.243 -0.220) 24.594 5.107 ( -4.781 -0.385 0.074) 4.797 5.431 ( 3.787 0.409 0.667) 3.866 5.510 ( -1.859 1.048 0.220) 2.145 5.981 ( 3.984 1.415 -1.983) 4.670 6.284 ( 11.991 0.563 -0.464) 12.013 7.709 ( 10.598 0.711 2.486) 10.908 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -12.857 -0.000 0.000) 12.857 1.428 ( -13.586 -0.000 0.000) 13.586 1.684 ( -7.070 -0.000 0.000) 7.070 2.025 ( -14.827 -0.000 0.000) 14.827 2.752 ( 5.411 0.000 -0.000) 5.411 2.959 ( -30.838 -0.000 0.000) 30.838 5.027 ( -4.365 -0.000 0.000) 4.365 5.504 ( 4.281 0.000 -0.000) 4.281 5.506 ( 0.726 0.000 -0.000) 0.726 6.050 ( 3.926 0.000 -0.000) 3.926 6.500 ( 13.368 0.000 -0.000) 13.368 7.889 ( 9.557 0.000 -0.000) 9.557 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.000 10.060 7.352) 12.460 1.290 ( -0.000 16.526 3.698) 16.935 1.634 ( -0.000 10.069 5.281) 11.369 1.798 ( 0.000 10.132 -4.140) 10.945 2.626 ( 0.000 15.962 -8.450) 18.061 2.823 ( -0.000 11.846 3.700) 12.410 5.009 ( -0.000 4.193 0.611) 4.238 5.493 ( 0.000 -2.799 -0.570) 2.856 5.548 ( 0.000 -3.263 -0.419) 3.290 5.954 ( 0.000 -3.931 -6.425) 7.532 6.659 ( -0.000 -14.888 4.047) 15.428 7.960 ( 0.000 -4.475 -5.755) 7.290 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -2.773 8.123 5.150) 10.010 1.466 ( 1.781 12.484 -1.335) 12.681 1.733 ( 0.936 6.373 3.932) 7.547 1.992 ( 9.114 13.196 -0.683) 16.052 2.631 ( 0.159 -3.078 -7.737) 8.328 3.108 ( 5.330 27.748 3.561) 28.479 5.059 ( 0.990 4.283 0.838) 4.475 5.471 ( -0.013 -1.823 -0.685) 1.948 5.506 ( -0.943 -2.604 -0.436) 2.804 5.915 ( 2.205 -4.977 -4.460) 7.037 6.505 ( -2.692 -14.290 3.291) 14.910 7.854 ( -4.789 -5.566 -5.095) 8.937 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -0.114 6.795 2.896) 7.387 1.578 ( 0.529 9.166 -4.621) 10.279 1.816 ( 1.921 3.353 3.208) 5.022 2.297 ( 10.096 13.359 0.960) 16.772 2.593 ( 2.005 -2.395 -3.765) 4.892 3.476 ( 7.722 22.317 1.781) 23.682 5.132 ( 2.149 4.559 1.444) 5.243 5.424 ( -2.395 -2.373 -0.997) 3.516 5.499 ( 0.982 0.860 -1.079) 1.694 5.897 ( 2.718 -5.306 -2.914) 6.636 6.324 ( -4.459 -12.514 2.726) 13.561 7.675 ( -7.521 -6.167 -4.605) 10.761 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 1.890 6.340 1.784) 6.852 1.648 ( 1.174 6.343 -5.299) 8.348 1.876 ( 1.642 1.306 1.989) 2.891 2.449 ( 0.644 -2.036 2.058) 2.966 2.749 ( 9.404 15.424 -0.507) 18.072 3.778 ( 6.900 13.354 0.647) 15.045 5.215 ( 1.570 4.354 1.712) 4.935 5.364 ( -1.822 -1.356 -0.784) 2.403 5.531 ( 1.238 2.531 -2.505) 3.770 5.888 ( 2.781 -4.200 -1.920) 5.391 6.135 ( -6.134 -9.687 2.190) 11.673 7.481 ( -6.577 -6.068 -3.555) 9.629 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.848 5.865 0.929) 5.999 1.722 ( 3.702 3.882 -4.249) 6.843 1.911 ( 1.202 0.231 0.824) 1.476 2.404 ( -2.099 -4.443 3.117) 5.819 3.054 ( 4.567 20.395 0.341) 20.903 3.958 ( 4.567 4.175 0.268) 6.194 5.268 ( -0.039 3.347 1.351) 3.610 5.341 ( 0.043 -0.440 -0.191) 0.481 5.567 ( 1.620 1.978 -3.673) 4.475 5.893 ( 1.715 -3.686 -1.990) 4.526 5.959 ( -6.561 -3.790 2.731) 8.055 7.337 ( -2.702 -5.351 -1.950) 6.304 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -1.561 5.095 0.398) 5.343 1.805 ( 4.317 0.210 -3.024) 5.275 1.929 ( 0.889 -0.143 -0.100) 0.906 2.329 ( -2.969 -3.047 2.644) 5.009 3.252 ( -5.463 20.460 0.162) 21.178 4.026 ( 3.110 -2.561 0.525) 4.063 5.292 ( -1.439 2.994 0.731) 3.401 5.342 ( 1.177 -1.437 0.252) 1.875 5.610 ( 4.150 0.204 -3.890) 5.691 5.800 ( -6.001 -0.606 1.987) 6.350 5.928 ( 0.314 0.092 -0.341) 0.472 7.278 ( 1.360 -4.203 -0.400) 4.436 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -3.754 3.619 0.394) 5.230 1.834 ( 1.733 -2.768 -1.507) 3.597 1.927 ( -0.987 -0.990 -0.162) 1.407 2.291 ( 0.319 -0.171 0.468) 0.592 3.247 ( -15.225 14.473 -0.164) 21.007 4.029 ( 0.791 -4.060 0.742) 4.203 5.279 ( -2.158 1.236 0.046) 2.488 5.349 ( 0.520 -1.162 0.556) 1.389 5.681 ( 3.463 -1.974 -1.410) 4.228 5.751 ( -1.761 6.996 0.772) 7.255 5.926 ( 0.888 -2.053 -0.432) 2.279 7.295 ( 4.611 -2.635 0.698) 5.356 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.940 1.010 0.260) 6.031 1.821 ( -0.223 -1.672 1.150) 2.041 1.873 ( -4.028 -0.881 -0.914) 4.223 2.337 ( 4.545 0.435 -0.869) 4.647 3.047 ( -19.544 6.001 -0.126) 20.445 3.960 ( -6.137 -2.496 0.419) 6.639 5.249 ( -2.937 0.624 0.192) 3.009 5.347 ( 0.878 -0.720 0.226) 1.158 5.647 ( -4.970 1.303 1.069) 5.248 5.861 ( 4.082 4.724 -3.447) 7.131 5.948 ( 6.610 -3.424 1.677) 7.631 7.385 ( 7.816 -0.905 1.014) 7.933 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -7.371 -0.000 0.000) 7.371 1.767 ( -7.386 -0.000 0.000) 7.386 1.811 ( -1.172 -0.000 0.000) 1.172 2.414 ( 2.645 0.000 -0.000) 2.645 2.757 ( -16.183 -0.000 0.000) 16.183 3.767 ( -15.728 -0.000 0.000) 15.728 5.187 ( -4.649 -0.000 0.000) 4.649 5.376 ( 2.825 0.000 -0.000) 2.825 5.571 ( -4.568 -0.000 0.000) 4.568 5.925 ( 3.133 0.000 -0.000) 3.133 6.095 ( 10.782 0.000 -0.000) 10.782 7.537 ( 10.314 0.000 -0.000) 10.314 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -0.000 2.750 1.327) 3.053 1.564 ( 0.000 10.962 -2.132) 11.167 1.813 ( -0.000 5.655 4.779) 7.404 2.032 ( -0.000 14.449 -1.023) 14.485 2.564 ( 0.000 -5.369 -6.090) 8.119 3.351 ( -0.000 27.896 2.717) 28.028 5.085 ( -0.000 2.925 0.077) 2.926 5.461 ( -0.000 0.183 0.000) 0.183 5.487 ( 0.000 -2.670 -0.231) 2.681 5.836 ( 0.000 -5.021 -3.063) 5.882 6.396 ( 0.000 -13.705 1.359) 13.772 7.826 ( 0.000 -6.260 -3.718) 7.281 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.595 2.292 0.218) 2.378 1.640 ( -0.120 7.073 -5.189) 8.773 1.858 ( -0.832 3.949 3.007) 5.033 2.256 ( 9.160 13.091 0.408) 15.982 2.511 ( 1.859 -4.575 -2.535) 5.551 3.627 ( 2.081 23.031 1.688) 23.186 5.129 ( 2.549 2.244 0.147) 3.399 5.440 ( -2.002 -1.380 -0.350) 2.457 5.488 ( 1.087 1.573 -0.158) 1.919 5.798 ( 1.843 -4.979 -1.344) 5.477 6.259 ( -1.772 -11.825 0.084) 11.958 7.712 ( -4.882 -6.412 -3.033) 8.611 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 2.769 3.200 0.530) 4.265 1.674 ( 0.162 4.079 -5.812) 7.102 1.887 ( -0.039 2.132 1.581) 2.655 2.422 ( 0.912 -1.456 2.476) 3.014 2.662 ( 14.943 10.801 -0.607) 18.448 3.853 ( 1.808 15.534 0.760) 15.657 5.212 ( 3.848 2.719 0.901) 4.797 5.388 ( -2.460 -0.949 -0.496) 2.683 5.527 ( 1.002 2.743 -1.699) 3.379 5.791 ( 3.038 -4.266 -0.094) 5.238 6.116 ( -2.917 -9.392 -0.303) 9.839 7.537 ( -7.437 -5.670 -2.564) 9.697 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 3.600 4.021 0.893) 5.470 1.701 ( 1.334 2.442 -3.965) 4.844 1.907 ( 0.275 0.839 0.604) 1.070 2.401 ( -1.042 -3.052 3.072) 4.453 3.052 ( 15.814 14.073 0.365) 21.173 3.978 ( -0.329 7.185 0.274) 7.197 5.290 ( 1.570 2.415 1.423) 3.213 5.350 ( -1.123 0.004 -0.175) 1.136 5.548 ( 0.057 0.730 -4.019) 4.085 5.823 ( 3.876 -1.489 0.275) 4.161 5.989 ( -2.866 -6.250 0.676) 6.909 7.362 ( -6.391 -4.326 -1.921) 7.953 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 1.360 4.464 0.448) 4.688 1.740 ( 2.566 0.160 -1.862) 3.175 1.918 ( 0.442 0.131 0.046) 0.463 2.354 ( -2.291 -2.327 2.278) 3.982 3.423 ( 9.601 16.472 0.647) 19.076 3.979 ( -2.384 -1.964 0.100) 3.090 5.322 ( 0.406 0.573 1.162) 1.358 5.346 ( -0.935 1.982 0.427) 2.233 5.522 ( 1.063 -3.695 -4.391) 5.836 5.856 ( -0.682 0.799 -0.087) 1.054 5.935 ( 0.587 -0.964 1.525) 1.897 7.245 ( -2.487 -3.084 -0.994) 4.085 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.406 3.826 0.465) 4.543 1.768 ( 2.657 -2.180 -1.114) 3.613 1.924 ( 0.302 -0.210 -0.132) 0.391 2.305 ( -1.945 -0.778 0.898) 2.279 3.611 ( -9.771 15.175 0.131) 18.049 3.920 ( 4.985 -8.178 0.280) 9.582 5.311 ( -1.227 -0.615 -0.283) 1.401 5.356 ( -1.266 1.841 1.111) 2.495 5.537 ( 6.946 -3.173 -2.122) 7.926 5.849 ( -1.466 2.319 1.370) 3.066 5.932 ( -2.046 0.148 -0.593) 2.136 7.217 ( 1.932 -1.709 -0.111) 2.582 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -5.218 -0.000 0.000) 5.218 1.794 ( 1.896 0.000 -0.000) 1.896 1.916 ( -1.419 -0.000 0.000) 1.419 2.292 ( 0.886 0.000 -0.000) 0.886 3.408 ( -19.142 -0.000 0.000) 19.142 3.976 ( 2.671 0.000 -0.000) 2.671 5.286 ( -1.400 -0.000 0.000) 1.400 5.345 ( -0.796 -0.000 0.000) 0.796 5.651 ( 6.399 0.000 -0.000) 6.399 5.864 ( 0.507 0.000 -0.000) 0.507 5.870 ( -2.568 -0.000 0.000) 2.568 7.270 ( 5.283 0.000 -0.000) 5.283 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.000 0.486 -1.288) 1.377 1.676 ( 0.000 3.667 -7.366) 8.228 1.902 ( -0.000 1.839 0.701) 1.968 2.292 ( -0.000 12.038 0.134) 12.039 2.450 ( -0.000 -3.997 1.241) 4.185 3.824 ( -0.000 19.209 1.128) 19.242 5.110 ( 0.000 0.033 -0.792) 0.793 5.447 ( 0.000 -1.194 -0.697) 1.383 5.505 ( -0.000 3.647 0.842) 3.743 5.739 ( -0.000 -4.110 1.178) 4.275 6.167 ( 0.000 -9.396 -2.036) 9.614 7.684 ( 0.000 -6.361 -2.005) 6.670 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 2.736 0.769 -0.934) 2.992 1.674 ( 0.467 0.895 -7.766) 7.832 1.910 ( -0.319 0.852 0.038) 0.911 2.414 ( 0.127 -0.121 3.419) 3.423 2.513 ( 11.416 7.371 0.076) 13.589 3.985 ( 0.011 13.223 0.469) 13.231 5.147 ( 4.727 0.144 -0.526) 4.758 5.418 ( -1.944 -0.579 -0.742) 2.160 5.547 ( 0.200 3.660 0.192) 3.670 5.720 ( 1.288 -3.397 2.599) 4.467 6.069 ( -1.581 -6.577 -2.834) 7.334 7.582 ( -4.541 -5.332 -1.473) 7.157 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 5.092 1.589 0.187) 5.337 1.680 ( 1.874 0.491 -4.792) 5.169 1.913 ( -0.054 0.313 -0.025) 0.318 2.406 ( -0.961 -1.222 3.172) 3.532 2.848 ( 18.882 7.266 -0.017) 20.232 4.074 ( -1.530 7.208 0.196) 7.371 5.249 ( 5.850 0.964 0.216) 5.933 5.376 ( -2.170 -0.128 -0.456) 2.221 5.567 ( -1.413 2.046 -1.536) 2.923 5.739 ( 3.767 -2.076 2.544) 4.997 5.974 ( -2.434 -4.361 -2.016) 5.386 7.437 ( -6.882 -3.399 -1.116) 7.757 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 5.197 1.462 0.250) 5.404 1.710 ( 1.812 0.491 -1.479) 2.390 1.914 ( 0.128 0.022 -0.051) 0.139 2.379 ( -1.911 -0.891 1.569) 2.628 3.250 ( 20.970 5.515 0.217) 21.685 4.065 ( -5.280 1.988 0.097) 5.643 5.331 ( 1.466 1.073 1.506) 2.360 5.349 ( 0.417 -0.013 -1.016) 1.099 5.520 ( -4.136 -0.849 -1.917) 4.637 5.828 ( 6.195 0.792 0.834) 6.300 5.905 ( -1.106 -2.465 -0.224) 2.711 7.297 ( -6.221 -1.518 -0.630) 6.434 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 4.331 0.000 -0.000) 4.331 1.722 ( -0.515 -0.000 0.000) 0.515 1.918 ( 0.284 0.000 -0.000) 0.284 2.339 ( -2.383 -0.000 0.000) 2.383 3.617 ( 18.121 0.000 -0.000) 18.121 3.932 ( -11.181 -0.000 0.000) 11.181 5.323 ( -0.887 -0.000 0.000) 0.887 5.410 ( 4.842 0.000 -0.000) 4.842 5.427 ( -4.657 -0.000 0.000) 4.657 5.873 ( -0.823 -0.000 0.000) 0.823 5.930 ( 3.266 0.000 -0.000) 3.266 7.212 ( -2.578 -0.000 0.000) 2.578 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 0.000 -0.002 -1.252) 1.252 1.637 ( 0.000 -1.509 -7.997) 8.138 1.915 ( 0.000 0.098 -0.236) 0.256 2.426 ( -0.000 -0.894 3.759) 3.863 2.476 ( -0.000 6.597 0.182) 6.599 4.092 ( -0.000 8.517 0.027) 8.517 5.095 ( 0.000 -0.663 -0.741) 0.995 5.428 ( 0.000 -0.348 -0.972) 1.033 5.582 ( -0.000 3.138 0.748) 3.226 5.694 ( -0.000 -2.335 3.634) 4.320 6.027 ( 0.000 -3.288 -3.418) 4.743 7.570 ( 0.000 -4.230 -0.797) 4.304 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 4.112 0.310 -0.305) 4.134 1.623 ( 2.330 -1.003 -4.167) 4.878 1.914 ( -0.067 -0.002 -0.078) 0.103 2.423 ( -0.731 -0.253 2.110) 2.248 2.628 ( 12.057 3.291 0.032) 12.499 4.147 ( -0.640 3.884 -0.048) 3.937 5.142 ( 5.998 -0.142 -0.307) 6.007 5.408 ( -1.688 -0.115 -0.465) 1.755 5.604 ( -0.619 1.682 0.030) 1.793 5.692 ( 0.921 -1.374 2.316) 2.846 5.979 ( -2.058 -1.443 -2.022) 3.226 7.502 ( -4.086 -2.136 -0.416) 4.629 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 5.825 0.000 -0.000) 5.825 1.664 ( 3.321 0.000 -0.000) 3.321 1.913 ( -0.011 -0.000 0.000) 0.011 2.406 ( -1.470 -0.000 0.000) 1.470 2.920 ( 20.026 0.000 -0.000) 20.026 4.142 ( -2.414 -0.000 0.000) 2.414 5.258 ( 6.696 0.000 -0.000) 6.696 5.374 ( -2.078 -0.000 0.000) 2.078 5.582 ( -3.030 -0.000 0.000) 3.030 5.729 ( 4.450 0.000 -0.000) 4.450 5.927 ( -2.559 -0.000 0.000) 2.559 7.400 ( -6.530 -0.000 0.000) 6.530 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.000 0.000 0.000) 0.000 1.587 ( -0.000 0.000 0.000) 0.000 1.915 ( -0.000 0.000 0.000) 0.000 2.432 ( -0.000 0.000 0.000) 0.000 2.541 ( -0.000 0.000 0.000) 0.000 4.170 ( -0.000 0.000 0.000) 0.000 5.085 ( -0.000 0.000 0.000) 0.000 5.421 ( -0.000 0.000 0.000) 0.000 5.617 ( -0.000 0.000 0.000) 0.000 5.683 ( -0.000 0.000 0.000) 0.000 5.989 ( -0.000 0.000 0.000) 0.000 7.525 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( -0.000 0.000 21.772) 21.772 0.197 ( -0.000 0.000 21.772) 21.772 0.352 ( -0.000 0.000 39.007) 39.007 1.650 ( 0.000 -0.000 -1.900) 1.900 1.650 ( 0.000 -0.000 -1.900) 1.900 3.394 ( 0.000 -0.000 -5.604) 5.604 4.874 ( -0.000 0.000 0.459) 0.459 4.874 ( -0.000 0.000 0.459) 0.459 5.633 ( 0.000 -0.000 -0.356) 0.356 5.633 ( 0.000 -0.000 -0.356) 0.356 7.159 ( -0.000 0.000 1.098) 1.098 7.885 ( 0.000 -0.000 -0.358) 0.358 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 13.909 8.030 6.186) 17.211 0.440 ( 11.414 6.590 13.754) 19.049 0.943 ( 28.304 16.341 20.123) 38.380 1.675 ( 2.261 1.305 -1.313) 2.922 1.734 ( 8.470 4.890 -3.898) 10.529 2.929 ( -6.153 -3.553 3.339) 7.851 4.890 ( 1.246 0.719 0.588) 1.554 5.612 ( -1.685 -0.973 -0.384) 1.984 5.625 ( -0.576 -0.333 -0.692) 0.960 5.992 ( 16.959 9.791 -30.483) 36.231 7.115 ( -6.048 -3.492 5.016) 8.598 8.013 ( 2.833 1.636 -15.633) 15.971 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 14.944 8.628 0.601) 17.267 0.745 ( 13.096 7.561 3.454) 15.512 1.488 ( 14.480 8.360 11.141) 20.092 1.747 ( 4.636 2.677 -0.599) 5.387 2.075 ( 23.812 13.748 -2.382) 27.599 2.850 ( -2.015 -1.163 -2.476) 3.398 4.933 ( 2.425 1.400 0.495) 2.844 5.562 ( -2.579 -1.489 -0.294) 2.992 5.592 ( -2.290 -1.322 -1.173) 2.893 6.105 ( 2.362 1.364 -8.401) 8.833 6.941 ( -10.751 -6.207 7.593) 14.552 7.960 ( -2.862 -1.652 -13.608) 14.004 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 11.799 6.812 -1.400) 13.696 1.031 ( 12.535 7.237 -3.122) 14.807 1.725 ( 6.714 3.876 4.785) 9.110 1.885 ( 7.910 4.567 0.136) 9.135 2.607 ( 16.244 9.379 -5.791) 19.631 2.874 ( 10.160 5.866 3.379) 12.209 4.998 ( 3.201 1.848 0.160) 3.699 5.506 ( -2.122 -1.225 -0.035) 2.450 5.517 ( -3.905 -2.255 -1.718) 4.826 6.098 ( -1.347 -0.778 -1.790) 2.371 6.700 ( -12.666 -7.313 7.317) 16.353 7.824 ( -5.506 -3.179 -11.795) 13.400 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.222 4.169 -2.052) 8.588 1.287 ( 12.041 6.952 -7.061) 15.594 1.851 ( 3.974 2.294 2.584) 5.266 2.092 ( 10.237 5.910 0.473) 11.830 2.671 ( -1.689 -0.975 -2.688) 3.320 3.342 ( 22.394 12.929 2.501) 25.979 5.066 ( 2.756 1.591 -0.354) 3.202 5.425 ( -3.456 -1.995 -1.736) 4.352 5.478 ( -0.203 -0.117 0.402) 0.465 6.040 ( -3.663 -2.115 1.123) 4.376 6.429 ( -12.899 -7.447 3.406) 15.279 7.665 ( -5.635 -3.253 -8.174) 10.447 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 3.921 2.264 -1.847) 4.890 1.530 ( 12.057 6.961 -8.489) 16.307 1.924 ( 2.153 1.243 1.349) 2.828 2.316 ( 9.151 5.283 0.381) 10.573 2.595 ( -5.022 -2.899 1.606) 6.017 3.770 ( 15.201 8.776 0.567) 17.562 5.110 ( 1.312 0.758 -0.788) 1.708 5.372 ( -0.624 -0.361 -1.038) 1.264 5.501 ( 1.828 1.056 0.796) 2.256 5.933 ( -7.569 -4.370 4.220) 9.705 6.181 ( -7.934 -4.581 -3.183) 9.699 7.537 ( -4.195 -2.422 -3.759) 6.131 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 1.915 1.106 -1.268) 2.549 1.770 ( 11.576 6.683 -8.390) 15.782 1.959 ( 0.786 0.454 0.188) 0.927 2.459 ( -7.678 -4.433 4.096) 9.766 2.480 ( 5.207 3.006 0.198) 6.015 4.017 ( 7.123 4.113 0.118) 8.226 5.126 ( 0.467 0.269 -0.836) 0.995 5.398 ( 3.189 1.841 -0.157) 3.686 5.547 ( 1.706 0.985 0.845) 2.143 5.724 ( -10.684 -6.168 2.344) 12.557 6.089 ( -0.529 -0.306 -3.189) 3.247 7.458 ( -2.205 -1.273 -0.637) 2.624 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.437 0.252 -0.507) 0.715 1.958 ( 3.467 2.001 -5.056) 6.449 1.962 ( 1.366 0.788 -1.073) 1.908 2.317 ( -3.945 -2.278 2.886) 5.393 2.539 ( -0.083 -0.048 0.030) 0.101 4.099 ( 0.280 0.162 0.847) 0.907 5.131 ( 0.244 0.141 -0.569) 0.635 5.507 ( 4.996 2.885 0.528) 5.793 5.525 ( -5.675 -3.276 -0.048) 6.553 5.568 ( -0.233 -0.134 0.608) 0.664 6.093 ( 0.916 0.529 -1.037) 1.481 7.439 ( 0.522 0.301 1.137) 1.286 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.030 -0.595 0.454) 1.273 1.893 ( -7.981 -4.608 3.974) 10.036 1.943 ( -1.980 -1.143 -1.245) 2.604 2.377 ( 7.597 4.386 -4.167) 9.712 2.476 ( -5.418 -3.128 -0.204) 6.259 4.029 ( -7.203 -4.159 1.415) 8.437 5.133 ( -0.056 -0.033 -0.123) 0.139 5.414 ( -2.824 -1.630 1.507) 3.592 5.541 ( -2.109 -1.218 0.194) 2.443 5.676 ( 8.411 4.856 -2.788) 10.104 6.122 ( 2.154 1.244 0.369) 2.515 7.493 ( 3.776 2.180 2.847) 5.207 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -3.024 -1.746 1.776) 3.917 1.689 ( -11.306 -6.528 8.132) 15.381 1.888 ( -2.783 -1.607 -2.428) 4.028 2.306 ( -9.462 -5.463 -0.661) 10.946 2.543 ( 7.737 4.467 -3.900) 9.748 3.772 ( -16.408 -9.473 0.822) 18.964 5.121 ( -1.198 -0.691 0.358) 1.429 5.401 ( 0.986 0.569 2.061) 2.355 5.490 ( -1.974 -1.139 -0.287) 2.297 5.845 ( 7.521 4.342 -5.170) 10.107 6.211 ( 6.053 3.495 0.277) 6.995 7.621 ( 6.533 3.772 4.810) 8.947 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -6.502 -3.754 3.747) 8.391 1.444 ( -13.115 -7.572 9.279) 17.761 1.796 ( -4.980 -2.875 -3.090) 6.528 2.074 ( -10.496 -6.060 -1.524) 12.215 2.687 ( 5.817 3.358 -1.383) 6.858 3.311 ( -24.651 -14.232 -0.487) 28.468 5.075 ( -3.048 -1.760 0.538) 3.560 5.459 ( 3.329 1.922 1.828) 4.257 5.470 ( 0.424 0.245 -0.522) 0.716 5.974 ( 5.634 3.253 -5.544) 8.547 6.389 ( 9.754 5.632 -0.989) 11.307 7.799 ( 7.702 4.446 5.658) 10.541 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -11.868 -6.852 6.293) 15.079 1.157 ( -15.280 -8.822 9.286) 19.938 1.634 ( -9.076 -5.240 -4.116) 11.260 1.861 ( -7.594 -4.384 -2.520) 9.124 2.698 ( -27.073 -15.631 2.854) 31.391 2.802 ( 2.416 1.395 -3.609) 4.562 5.000 ( -3.559 -2.055 0.352) 4.125 5.502 ( 2.402 1.387 -0.421) 2.805 5.543 ( 3.465 2.000 0.986) 4.121 6.067 ( 4.258 2.459 -4.994) 7.008 6.625 ( 11.401 6.583 -0.754) 13.187 7.977 ( 6.549 3.781 4.163) 8.632 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -16.068 -9.277 8.880) 20.570 0.824 ( -17.106 -9.876 9.373) 21.864 1.324 ( -19.148 -11.055 -4.456) 22.554 1.728 ( -3.794 -2.191 -2.756) 5.176 2.109 ( -22.461 -12.968 0.915) 25.952 2.864 ( 2.315 1.337 -0.719) 2.768 4.930 ( -2.635 -1.521 0.197) 3.049 5.561 ( 2.760 1.593 -0.302) 3.201 5.606 ( 1.907 1.101 0.193) 2.210 6.136 ( 3.234 1.867 -5.802) 6.900 6.876 ( 10.736 6.198 1.192) 12.453 8.098 ( 3.552 2.051 -0.143) 4.104 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( -0.000 20.902 7.509) 22.210 0.599 ( -0.000 17.330 16.151) 23.689 0.889 ( -0.000 24.687 23.392) 34.009 1.635 ( 0.000 1.020 -4.319) 4.438 1.756 ( 0.000 11.349 -2.213) 11.563 2.940 ( -0.000 -9.071 2.529) 9.417 4.891 ( -0.000 1.453 0.649) 1.591 5.609 ( 0.000 -2.060 -0.580) 2.140 5.626 ( 0.000 -0.509 -0.640) 0.818 5.868 ( 0.000 23.337 -31.844) 39.480 7.126 ( -0.000 -6.822 4.814) 8.349 7.991 ( 0.000 5.514 -14.046) 15.090 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -1.804 15.253 15.721) 21.979 0.795 ( 3.413 21.709 1.312) 22.015 1.367 ( 15.755 13.944 14.633) 25.627 1.685 ( 5.271 2.624 -3.703) 6.956 1.956 ( 9.037 20.095 -2.288) 22.152 2.854 ( -1.823 -3.398 -3.074) 4.931 4.920 ( 1.160 2.086 0.752) 2.502 5.574 ( -1.160 -2.491 -0.566) 2.806 5.605 ( -1.305 -1.446 -0.990) 2.185 6.010 ( 6.205 4.109 -14.607) 16.393 7.016 ( -5.085 -10.519 7.281) 13.767 7.964 ( -2.740 1.468 -13.608) 13.958 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 4.406 11.518 8.284) 14.856 1.055 ( 4.510 17.935 -2.249) 18.629 1.658 ( 7.617 4.476 5.469) 10.390 1.830 ( 6.655 7.270 -0.632) 9.877 2.420 ( 18.382 20.288 -3.117) 27.554 2.822 ( 2.348 1.113 -1.081) 2.814 4.974 ( 2.248 2.651 0.732) 3.552 5.526 ( -1.700 -1.899 -0.528) 2.603 5.546 ( -2.959 -2.528 -1.439) 4.150 6.063 ( 2.792 -1.509 -5.663) 6.491 6.814 ( -8.659 -11.696 8.248) 16.727 7.853 ( -5.476 -1.465 -12.510) 13.734 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 6.635 7.707 1.928) 10.351 1.267 ( 4.001 13.509 -4.497) 14.789 1.805 ( 5.078 2.355 2.816) 6.266 2.038 ( 7.405 11.467 0.116) 13.651 2.651 ( 1.876 0.361 -5.699) 6.011 3.134 ( 19.801 16.528 3.631) 26.047 5.045 ( 2.506 3.135 0.487) 4.043 5.456 ( -3.504 -2.773 -1.773) 4.807 5.490 ( -1.123 -0.319 -0.180) 1.181 6.049 ( -0.171 -3.014 -2.133) 3.696 6.559 ( -11.123 -11.267 6.266) 17.027 7.697 ( -5.796 -3.389 -9.575) 11.695 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 5.266 4.993 -0.497) 7.274 1.440 ( 5.748 10.486 -6.436) 13.580 1.895 ( 3.076 0.970 1.581) 3.592 2.280 ( 6.553 12.952 0.473) 14.523 2.627 ( -1.623 -2.120 -0.994) 2.849 3.604 ( 16.887 12.550 1.408) 21.087 5.110 ( 1.162 3.307 -0.024) 3.505 5.381 ( -1.917 -1.542 -1.307) 2.786 5.490 ( 0.760 1.044 0.230) 1.312 5.997 ( -2.375 -2.692 0.444) 3.617 6.273 ( -11.703 -9.634 0.844) 15.182 7.555 ( -3.869 -4.231 -5.082) 7.662 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.923 3.702 -0.929) 4.274 1.636 ( 9.227 8.139 -7.427) 14.372 1.941 ( 1.641 0.009 0.493) 1.714 2.460 ( 1.210 3.906 1.858) 4.492 2.574 ( -3.393 5.103 0.799) 6.180 3.924 ( 10.064 6.636 0.501) 12.065 5.145 ( -0.577 3.392 -0.484) 3.475 5.367 ( 1.518 0.177 -0.407) 1.581 5.527 ( 1.726 1.174 0.684) 2.197 5.880 ( -10.812 -3.216 3.393) 11.779 6.063 ( -1.538 -4.921 -4.663) 6.952 7.460 ( -1.553 -4.017 -1.340) 4.511 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.048 2.773 -0.733) 2.869 1.839 ( 9.315 4.849 -7.539) 12.927 1.955 ( 0.467 -0.521 -0.451) 0.832 2.382 ( -5.580 -4.984 3.966) 8.468 2.638 ( -3.876 12.293 -0.083) 12.890 4.078 ( 3.616 1.805 0.805) 4.121 5.159 ( -1.420 3.466 -0.550) 3.786 5.426 ( 4.619 0.089 -0.099) 4.621 5.551 ( -0.795 -0.050 1.279) 1.507 5.680 ( -8.969 0.491 0.460) 8.994 6.045 ( 2.817 -2.595 -2.207) 4.421 7.419 ( 0.765 -2.839 0.710) 3.025 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -1.312 1.711 -0.148) 2.161 1.928 ( 0.744 -1.392 -3.719) 4.040 1.950 ( -1.003 -2.108 -0.071) 2.336 2.308 ( 1.243 0.134 0.445) 1.327 2.635 ( -9.027 9.458 -0.237) 13.076 4.088 ( -2.827 -2.114 1.456) 3.819 5.163 ( -1.745 3.119 -0.266) 3.584 5.436 ( -1.328 -4.085 0.450) 4.319 5.551 ( -0.573 1.796 1.588) 2.465 5.645 ( 1.312 5.780 -1.966) 6.244 6.070 ( 3.475 -2.213 -0.531) 4.153 7.441 ( 3.815 -1.121 2.045) 4.471 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -2.781 -0.020 0.816) 2.899 1.827 ( -8.550 -4.578 4.884) 10.858 1.895 ( -1.246 -2.400 -2.532) 3.704 2.390 ( 3.344 0.722 -2.566) 4.277 2.540 ( -8.981 7.532 -1.353) 11.800 3.937 ( -11.509 -6.090 1.373) 13.094 5.155 ( -2.256 1.865 0.167) 2.932 5.398 ( 0.082 -1.143 1.488) 1.878 5.523 ( -2.937 -0.021 0.550) 2.988 5.772 ( 5.684 6.405 -4.215) 9.544 6.128 ( 5.724 -0.574 0.204) 5.756 7.538 ( 7.158 0.528 3.398) 7.941 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -5.086 -3.316 2.599) 6.605 1.639 ( -11.400 -2.956 6.472) 13.439 1.828 ( -3.116 -2.789 -2.570) 4.908 2.259 ( -14.288 0.593 -0.728) 14.319 2.604 ( 6.290 3.760 -2.833) 7.857 3.589 ( -21.486 -9.390 0.601) 23.456 5.118 ( -3.359 -0.323 0.495) 3.410 5.425 ( 2.700 0.478 1.443) 3.099 5.485 ( -1.750 0.946 0.027) 1.990 5.903 ( 5.250 4.671 -5.202) 8.743 6.261 ( 9.503 1.854 -0.146) 9.683 7.700 ( 9.290 1.557 3.895) 10.193 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.466 -8.019 5.353) 13.511 1.431 ( -14.077 -0.263 5.368) 15.068 1.715 ( -6.414 -3.129 -2.197) 7.467 2.013 ( -14.020 0.089 -1.375) 14.088 2.730 ( 5.820 2.007 -2.076) 6.497 3.065 ( -29.207 -10.181 0.346) 30.932 5.045 ( -4.037 -1.589 0.514) 4.368 5.482 ( 1.718 1.299 -0.480) 2.206 5.501 ( 3.027 1.140 0.957) 3.374 6.006 ( 4.371 3.259 -4.813) 7.273 6.470 ( 12.306 3.124 0.222) 12.698 7.882 ( 9.062 1.365 2.246) 9.436 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -13.908 -9.881 7.488) 18.632 1.173 ( -18.315 -1.162 2.809) 18.565 1.532 ( -12.642 -1.810 0.574) 12.783 1.816 ( -9.033 0.595 -2.044) 9.280 2.464 ( -30.676 -7.221 -0.604) 31.520 2.821 ( 3.662 0.991 -1.018) 3.928 4.969 ( -3.494 -1.138 0.401) 3.696 5.527 ( 2.536 1.102 -0.399) 2.794 5.569 ( 3.379 0.329 0.006) 3.395 6.085 ( 3.389 2.523 -4.780) 6.379 6.719 ( 13.312 2.697 2.205) 13.760 8.022 ( 6.477 -0.108 -2.005) 6.781 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 18.992 4.976) 19.634 1.009 ( -0.000 15.439 12.445) 19.830 1.412 ( -0.000 16.168 13.514) 21.072 1.647 ( 0.000 4.105 -6.170) 7.411 2.103 ( -0.000 25.920 -1.558) 25.967 2.821 ( 0.000 -3.619 -4.274) 5.601 4.939 ( -0.000 3.078 0.740) 3.166 5.552 ( 0.000 -3.236 -0.670) 3.304 5.598 ( 0.000 -1.997 -1.006) 2.236 5.951 ( 0.000 3.174 -12.163) 12.570 6.960 ( -0.000 -13.650 6.933) 15.309 7.968 ( 0.000 0.938 -12.196) 12.232 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -3.772 13.583 10.442) 17.543 1.186 ( 0.974 16.936 0.826) 16.984 1.617 ( 4.500 6.820 5.750) 9.991 1.773 ( 8.656 8.910 -1.502) 12.513 2.419 ( 6.997 24.736 -4.273) 26.060 2.796 ( 1.563 1.937 -1.543) 2.928 4.981 ( 0.921 3.713 0.918) 3.934 5.516 ( -0.350 -2.898 -0.726) 3.008 5.557 ( -1.718 -2.649 -1.208) 3.380 5.968 ( 3.503 -1.446 -6.978) 7.940 6.809 ( -3.647 -15.020 7.027) 16.979 7.895 ( -4.460 -0.975 -10.976) 11.887 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.090 10.281 6.435) 12.177 1.348 ( 1.151 13.541 -3.180) 13.957 1.757 ( 4.685 3.804 3.150) 6.808 2.028 ( 8.993 13.064 0.153) 15.860 2.602 ( 2.325 1.882 -7.707) 8.267 3.047 ( 12.876 20.827 3.763) 24.774 5.048 ( 1.914 4.319 1.267) 4.891 5.472 ( -2.153 -2.915 -1.520) 3.929 5.501 ( -1.140 -1.172 -0.837) 1.837 5.979 ( 2.797 -4.007 -3.937) 6.276 6.602 ( -6.369 -14.494 6.363) 17.062 7.746 ( -6.959 -2.977 -9.186) 11.903 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 1.750 7.978 2.933) 8.678 1.470 ( 1.544 10.286 -4.961) 11.523 1.856 ( 3.250 1.527 2.098) 4.159 2.312 ( 7.423 15.366 0.849) 17.086 2.609 ( 1.193 -0.581 -3.108) 3.380 3.483 ( 14.295 16.987 1.760) 22.271 5.128 ( 1.703 4.769 1.355) 5.242 5.396 ( -2.574 -2.286 -1.443) 3.732 5.492 ( 0.268 0.881 -1.029) 1.381 5.963 ( 1.474 -4.144 -2.634) 5.126 6.359 ( -9.155 -12.279 4.003) 15.831 7.573 ( -5.956 -4.647 -6.119) 9.722 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 1.607 6.271 1.201) 6.584 1.587 ( 4.180 8.267 -5.495) 10.771 1.912 ( 2.008 0.133 0.927) 2.216 2.480 ( 0.311 0.311 2.144) 2.189 2.684 ( 2.115 14.849 -0.660) 15.013 3.825 ( 10.668 9.425 0.739) 14.254 5.193 ( -0.015 4.649 0.931) 4.741 5.351 ( -0.278 -0.855 -0.750) 1.171 5.517 ( 1.376 1.848 -0.996) 2.511 5.944 ( 1.092 -2.613 -1.385) 3.153 6.093 ( -10.872 -8.711 0.594) 13.944 7.438 ( -2.602 -5.451 -2.630) 6.588 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.404 5.023 0.178) 5.042 1.734 ( 6.716 5.683 -5.582) 10.419 1.936 ( 1.058 -0.509 -0.019) 1.175 2.421 ( -3.632 -4.948 3.203) 6.923 2.859 ( -3.007 19.436 -0.186) 19.669 4.022 ( 5.834 2.887 0.790) 6.557 5.224 ( -1.449 4.302 0.449) 4.561 5.365 ( 2.361 -0.552 -0.030) 2.425 5.559 ( 1.491 2.260 -0.742) 2.807 5.845 ( -10.819 -2.309 0.760) 11.089 5.955 ( 2.943 -3.294 -2.274) 4.968 7.368 ( 0.630 -4.965 -0.242) 5.010 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.929 3.926 0.070) 4.375 1.853 ( 4.706 0.573 -5.155) 7.003 1.942 ( 0.364 -0.503 -0.671) 0.914 2.324 ( -3.160 -3.034 2.919) 5.264 2.929 ( -9.948 17.071 -0.256) 19.760 4.089 ( 1.138 -1.422 1.269) 2.220 5.233 ( -2.174 3.626 0.303) 4.239 5.391 ( 1.725 -2.677 0.202) 3.191 5.614 ( 0.949 5.560 0.001) 5.641 5.697 ( -5.423 0.621 -0.727) 5.507 5.975 ( 3.604 -3.166 -0.873) 4.876 7.361 ( 3.414 -3.586 1.031) 5.058 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -3.502 2.124 0.390) 4.114 1.867 ( 0.684 -2.477 -3.083) 4.014 1.905 ( -3.881 -2.494 1.053) 4.733 2.319 ( 3.352 0.890 -0.207) 3.474 2.856 ( -15.304 12.242 -0.310) 19.601 4.035 ( -5.356 -4.100 1.323) 6.874 5.224 ( -2.728 2.446 0.569) 3.708 5.378 ( 0.444 -2.346 0.473) 2.434 5.607 ( -5.320 2.714 1.372) 6.128 5.739 ( 4.583 5.892 -3.831) 8.391 6.015 ( 5.371 -3.042 0.267) 6.179 7.421 ( 6.628 -2.038 1.819) 7.169 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -5.394 -0.761 1.218) 5.582 1.787 ( -7.619 -2.029 2.312) 8.217 1.832 ( -1.166 -2.226 -1.720) 3.045 2.399 ( 2.441 1.233 -1.070) 2.936 2.683 ( -14.031 6.910 -0.712) 15.657 3.826 ( -14.728 -5.458 0.852) 15.730 5.185 ( -4.033 0.651 0.706) 4.146 5.385 ( 2.199 -0.807 0.646) 2.430 5.549 ( -4.288 1.796 0.309) 4.659 5.858 ( 4.298 5.180 -4.232) 7.951 6.113 ( 8.753 -1.047 0.714) 8.845 7.551 ( 9.645 -0.878 1.772) 9.846 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -8.259 -3.264 2.483) 9.222 1.630 ( -9.944 -1.461 0.237) 10.054 1.775 ( -3.633 -0.750 0.166) 3.714 2.287 ( -15.793 1.539 0.040) 15.867 2.648 ( 3.958 2.025 -1.923) 4.844 3.451 ( -24.318 -4.366 0.717) 24.717 5.111 ( -4.823 -0.597 0.715) 4.913 5.434 ( 3.721 -0.018 0.014) 3.721 5.510 ( -1.861 0.944 -0.149) 2.092 5.956 ( 4.004 3.398 -3.198) 6.148 6.287 ( 11.800 0.641 1.060) 11.865 7.720 ( 10.696 -0.754 -0.060) 10.722 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -12.267 -2.963 3.167) 13.011 1.414 ( -13.545 -3.097 -2.921) 14.198 1.697 ( -6.721 1.741 2.648) 7.431 2.025 ( -15.014 0.670 0.066) 15.029 2.727 ( 2.876 0.045 -5.006) 5.774 2.976 ( -28.521 0.531 3.330) 28.720 5.029 ( -4.409 -0.211 0.585) 4.452 5.497 ( 3.186 0.235 -1.071) 3.369 5.508 ( 1.843 -0.595 0.080) 1.938 6.040 ( 3.662 2.254 -2.137) 4.802 6.513 ( 13.673 0.325 2.867) 13.974 7.871 ( 9.104 -1.852 -3.918) 10.083 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.000 7.028 5.991) 9.235 1.308 ( -0.000 15.080 0.884) 15.105 1.699 ( -0.000 8.275 8.512) 11.871 1.761 ( 0.000 11.879 -3.968) 12.524 2.544 ( 0.000 10.966 -9.559) 14.547 2.855 ( -0.000 17.381 3.451) 17.721 5.014 ( -0.000 4.077 0.570) 4.116 5.488 ( 0.000 -2.681 -0.481) 2.723 5.541 ( 0.000 -2.987 -1.170) 3.208 5.901 ( 0.000 -2.363 -5.034) 5.561 6.703 ( -0.000 -16.442 5.533) 17.349 7.891 ( 0.000 -2.105 -9.238) 9.475 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -2.104 5.485 3.081) 6.634 1.448 ( 0.590 11.322 -2.510) 11.612 1.773 ( 0.131 6.304 4.543) 7.771 1.989 ( 9.826 13.415 -0.023) 16.629 2.559 ( 1.035 -0.640 -7.822) 7.916 3.141 ( 4.967 26.498 3.515) 27.188 5.066 ( 1.378 4.129 0.731) 4.414 5.465 ( -0.422 -1.710 -0.618) 1.867 5.499 ( -0.950 -2.303 -1.186) 2.759 5.882 ( 2.319 -4.020 -2.924) 5.485 6.539 ( -2.319 -16.086 4.311) 16.814 7.796 ( -4.982 -3.457 -7.643) 9.756 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.259 5.444 2.007) 5.808 1.535 ( 0.170 8.471 -4.684) 9.681 1.844 ( 1.355 3.056 2.960) 4.465 2.306 ( 10.581 13.939 0.986) 17.528 2.559 ( 2.893 -0.586 -3.417) 4.515 3.492 ( 7.322 21.593 1.717) 22.865 5.145 ( 2.537 4.480 1.366) 5.327 5.414 ( -2.556 -2.051 -1.190) 3.487 5.488 ( 0.572 0.641 -1.398) 1.641 5.875 ( 2.612 -4.580 -1.908) 5.607 6.350 ( -4.073 -14.157 3.096) 15.053 7.628 ( -7.506 -4.522 -5.830) 10.525 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 1.891 5.808 1.929) 6.406 1.602 ( 1.294 6.514 -4.823) 8.208 1.891 ( 1.219 1.012 1.435) 2.138 2.467 ( 0.912 -1.496 1.975) 2.640 2.744 ( 9.908 16.357 -0.486) 19.130 3.783 ( 6.711 13.027 0.608) 14.666 5.230 ( 1.542 4.322 1.721) 4.901 5.357 ( -1.706 -0.970 -0.783) 2.113 5.508 ( 1.028 1.701 -2.528) 3.216 5.872 ( 2.500 -3.527 -1.686) 4.640 6.154 ( -5.954 -10.417 2.012) 12.166 7.448 ( -6.100 -5.115 -3.609) 8.740 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.437 5.605 1.149) 5.738 1.686 ( 3.742 4.765 -3.716) 7.108 1.916 ( 0.893 0.025 0.421) 0.987 2.430 ( -1.915 -4.290 2.609) 5.374 3.057 ( 4.479 20.695 0.298) 21.177 3.961 ( 4.679 4.037 0.444) 6.196 5.281 ( -0.262 3.404 1.433) 3.703 5.339 ( 0.100 -0.201 -0.120) 0.254 5.536 ( 1.971 0.712 -3.254) 3.871 5.875 ( 1.333 -2.782 -1.875) 3.610 5.980 ( -6.379 -3.667 1.893) 7.597 7.322 ( -1.998 -5.050 -1.488) 5.631 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -1.677 5.122 0.613) 5.424 1.776 ( 4.012 1.415 -3.310) 5.390 1.927 ( 0.621 -0.216 -0.271) 0.711 2.353 ( -3.076 -3.657 2.521) 5.403 3.254 ( -5.722 20.571 0.100) 21.352 4.032 ( 3.361 -2.708 0.861) 4.401 5.299 ( -1.913 2.690 0.747) 3.385 5.346 ( 1.421 -1.065 0.500) 1.845 5.576 ( 4.540 -0.586 -3.571) 5.806 5.815 ( -5.159 0.391 1.479) 5.381 5.924 ( -0.405 0.137 -0.632) 0.763 7.275 ( 1.959 -4.217 -0.091) 4.651 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -3.827 3.636 0.586) 5.311 1.814 ( 2.005 -1.568 -2.843) 3.816 1.925 ( -0.727 -0.788 -0.282) 1.109 2.301 ( -0.460 -0.975 1.669) 1.986 3.246 ( -15.297 14.525 -0.076) 21.094 4.037 ( 0.853 -4.389 0.984) 4.578 5.282 ( -1.944 0.957 0.591) 2.246 5.354 ( 0.244 -1.096 0.523) 1.238 5.655 ( 5.349 -0.486 -3.917) 6.648 5.767 ( -4.375 6.254 2.297) 7.970 5.921 ( 1.781 -2.283 -0.509) 2.940 7.301 ( 5.044 -2.865 0.503) 5.823 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( -5.847 0.766 0.610) 5.928 1.811 ( 0.249 -1.126 -2.901) 3.121 1.877 ( -3.915 -0.998 1.402) 4.276 2.337 ( 4.059 0.661 0.766) 4.183 3.046 ( -19.580 6.100 0.025) 20.508 3.965 ( -6.168 -2.940 0.557) 6.856 5.254 ( -2.907 0.309 0.829) 3.039 5.349 ( 0.895 -0.904 0.180) 1.285 5.646 ( -4.439 0.911 -1.384) 4.738 5.835 ( 3.138 5.714 -2.096) 6.847 5.962 ( 6.844 -3.061 1.402) 7.627 7.390 ( 8.019 -1.575 0.153) 8.173 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -7.246 -0.785 0.762) 7.328 1.740 ( -6.192 -1.705 -4.489) 7.835 1.830 ( -2.289 1.138 2.987) 3.931 2.419 ( 2.478 0.736 0.984) 2.766 2.756 ( -16.424 0.212 -0.239) 16.427 3.768 ( -15.633 -0.313 0.314) 15.639 5.191 ( -4.636 -0.357 0.757) 4.711 5.375 ( 2.730 -0.352 -0.333) 2.772 5.566 ( -4.322 -0.249 -1.108) 4.469 5.920 ( 3.025 2.691 -1.184) 4.218 6.101 ( 10.836 -0.828 1.264) 10.941 7.530 ( 10.094 -1.147 -1.551) 10.277 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -9.131 0.336 0.233) 9.140 1.568 ( -10.260 -2.498 -5.327) 11.827 1.810 ( -3.486 2.477 2.863) 5.146 2.295 ( -15.932 -1.080 0.873) 15.992 2.653 ( 3.210 -0.320 -1.350) 3.497 3.455 ( -23.636 4.097 1.079) 24.013 5.110 ( -4.793 0.016 0.570) 4.827 5.422 ( 3.681 -0.771 -1.216) 3.953 5.506 ( -1.624 -0.945 -0.524) 1.951 5.990 ( 3.707 0.816 0.108) 3.797 6.296 ( 12.725 -0.952 2.264) 12.960 7.677 ( 9.869 -1.952 -4.620) 11.070 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 1.390 -0.428) 1.455 1.533 ( 0.000 9.102 -4.354) 10.090 1.854 ( -0.000 3.923 3.898) 5.530 2.026 ( -0.000 15.156 -0.205) 15.157 2.514 ( 0.000 -2.305 -4.653) 5.193 3.376 ( -0.000 26.913 2.610) 27.039 5.085 ( -0.000 2.553 -0.170) 2.558 5.462 ( -0.000 0.547 0.241) 0.598 5.479 ( 0.000 -2.429 -1.382) 2.795 5.819 ( 0.000 -3.881 -0.657) 3.937 6.412 ( -0.000 -15.661 2.054) 15.795 7.781 ( 0.000 -4.370 -6.052) 7.465 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.266 1.632 -0.869) 2.241 1.588 ( 0.039 5.779 -6.364) 8.597 1.880 ( -0.673 2.592 1.951) 3.313 2.260 ( 9.699 13.449 0.453) 16.588 2.497 ( 1.690 -2.027 -0.558) 2.697 3.641 ( 1.902 22.356 1.319) 22.475 5.129 ( 3.090 1.883 -0.097) 3.619 5.434 ( -2.041 -1.376 -1.132) 2.709 5.486 ( 0.540 2.024 -0.269) 2.112 5.796 ( 1.426 -3.784 0.930) 4.149 6.261 ( -1.328 -13.702 0.353) 13.771 7.677 ( -4.988 -4.854 -4.656) 8.374 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.501 2.897 0.241) 4.551 1.622 ( 0.964 3.991 -5.609) 6.951 1.899 ( 0.019 1.294 1.037) 1.658 2.446 ( 0.880 -0.633 2.803) 3.005 2.657 ( 15.203 11.404 -0.330) 19.008 3.858 ( 1.685 15.226 0.346) 15.323 5.218 ( 4.499 2.382 0.529) 5.118 5.382 ( -2.352 -0.724 -0.894) 2.618 5.512 ( -0.077 2.674 -1.492) 3.063 5.797 ( 2.300 -3.057 1.310) 4.044 6.113 ( -2.046 -10.783 -0.331) 10.980 7.510 ( -7.450 -4.533 -3.332) 9.336 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 3.743 3.624 0.768) 5.267 1.669 ( 2.061 3.263 -3.177) 4.999 1.911 ( 0.231 0.407 0.434) 0.638 2.427 ( -1.230 -3.026 2.653) 4.208 3.056 ( 16.063 14.156 0.349) 21.413 3.980 ( -0.342 7.110 0.011) 7.118 5.301 ( 1.862 2.290 0.997) 3.115 5.347 ( -0.838 0.015 -0.307) 0.893 5.516 ( -0.824 0.665 -2.960) 3.144 5.826 ( 2.797 -0.685 0.392) 2.906 5.994 ( -1.619 -6.802 0.545) 7.013 7.344 ( -6.192 -3.646 -2.000) 7.459 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 1.438 4.193 0.346) 4.446 1.725 ( 2.511 1.052 -1.393) 3.058 1.918 ( 0.328 0.002 0.036) 0.330 2.372 ( -2.412 -2.972 1.751) 4.209 3.429 ( 9.567 16.457 0.531) 19.043 3.980 ( -2.243 -2.130 0.069) 3.094 5.329 ( -0.068 -0.241 0.471) 0.533 5.352 ( -0.313 2.918 0.950) 3.084 5.487 ( 0.866 -3.220 -3.445) 4.795 5.856 ( 0.028 0.995 -0.049) 0.997 5.946 ( -0.035 -1.304 0.973) 1.627 7.237 ( -2.157 -2.748 -0.800) 3.584 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -2.393 3.674 0.613) 4.427 1.757 ( 2.470 -1.313 -1.379) 3.119 1.923 ( 0.237 -0.083 -0.173) 0.305 2.314 ( -1.948 -1.643 1.075) 2.766 3.612 ( -9.982 15.095 0.171) 18.098 3.923 ( 5.234 -8.487 0.354) 9.977 5.311 ( -1.197 -0.512 0.142) 1.310 5.365 ( -1.674 1.170 0.995) 2.272 5.516 ( 7.211 -1.478 -2.555) 7.792 5.861 ( -0.475 1.280 1.239) 1.844 5.927 ( -2.902 0.567 -0.473) 2.995 7.216 ( 2.124 -1.639 -0.139) 2.686 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -5.163 -0.456 0.224) 5.188 1.789 ( 1.533 1.127 -1.072) 2.184 1.916 ( -1.270 0.062 0.053) 1.273 2.297 ( 1.101 -0.483 1.185) 1.688 3.409 ( -19.136 0.045 0.271) 19.138 3.976 ( 2.688 -0.469 0.061) 2.730 5.289 ( -1.397 -0.103 0.667) 1.552 5.344 ( -0.755 -0.477 -0.045) 0.894 5.638 ( 5.752 1.571 -2.716) 6.552 5.861 ( 0.427 -4.114 -0.322) 4.148 5.881 ( -1.982 3.566 1.821) 4.467 7.268 ( 5.173 -0.268 -0.438) 5.199 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -5.933 -1.392 0.158) 6.096 1.797 ( -2.657 1.744 -3.629) 4.824 1.887 ( -2.235 0.960 1.773) 3.010 2.351 ( 4.878 -0.122 2.258) 5.376 3.048 ( -19.603 -5.988 0.249) 20.498 3.957 ( -6.071 2.126 -0.205) 6.436 5.250 ( -2.947 -1.000 0.463) 3.147 5.345 ( 0.777 0.536 -0.239) 0.974 5.629 ( -4.467 -1.182 -2.731) 5.367 5.894 ( 3.509 -3.207 3.667) 6.004 5.932 ( 6.900 2.808 -1.710) 7.643 7.373 ( 7.343 0.412 -1.681) 7.544 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -6.351 0.028 -0.446) 6.366 1.695 ( -8.579 0.704 -6.125) 10.565 1.882 ( -1.605 2.211 2.379) 3.623 2.435 ( 1.361 -0.281 2.573) 2.924 2.690 ( -13.189 -6.085 0.062) 14.525 3.818 ( -14.215 4.772 -0.022) 14.994 5.181 ( -3.957 -1.122 0.261) 4.121 5.369 ( 1.628 0.239 -1.044) 1.948 5.536 ( -3.449 -1.475 -1.015) 3.886 5.930 ( 3.565 -2.748 2.984) 5.400 6.096 ( 10.326 0.261 -0.902) 10.369 7.499 ( 8.205 -0.243 -3.617) 8.970 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 0.437 -1.824) 1.876 1.603 ( 0.000 2.573 -8.599) 8.975 1.906 ( -0.000 0.931 0.282) 0.973 2.295 ( -0.000 12.034 0.396) 12.040 2.470 ( -0.000 -1.852 2.995) 3.521 3.831 ( -0.000 18.633 0.442) 18.638 5.102 ( 0.000 -0.104 -0.759) 0.766 5.436 ( 0.000 -1.026 -1.621) 1.918 5.512 ( -0.000 3.770 0.766) 3.847 5.761 ( -0.000 -2.997 3.471) 4.586 6.148 ( 0.000 -10.968 -2.104) 11.168 7.659 ( 0.000 -5.043 -3.471) 6.122 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 3.307 0.991 -0.919) 3.572 1.605 ( 1.524 1.251 -7.208) 7.473 1.911 ( -0.140 0.497 0.284) 0.589 2.445 ( 0.865 1.218 3.145) 3.482 2.516 ( 10.304 6.448 0.778) 12.180 3.986 ( 0.048 12.951 -0.281) 12.955 5.142 ( 5.012 0.107 -0.503) 5.038 5.409 ( -1.742 -0.336 -1.083) 2.079 5.549 ( -0.456 3.657 0.122) 3.687 5.751 ( 0.825 -2.971 4.043) 5.085 6.043 ( -1.110 -7.282 -3.020) 7.961 7.564 ( -4.602 -4.296 -2.496) 6.772 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 5.385 1.594 0.155) 5.618 1.643 ( 2.972 1.757 -3.282) 4.764 1.914 ( -0.032 0.118 0.253) 0.281 2.432 ( -1.239 -1.961 2.584) 3.473 2.849 ( 18.959 7.269 0.090) 20.305 4.073 ( -1.432 7.205 -0.443) 7.359 5.248 ( 6.213 0.891 -0.271) 6.283 5.373 ( -2.076 0.100 -0.303) 2.100 5.557 ( -2.208 2.303 -0.805) 3.290 5.763 ( 3.129 -2.471 2.680) 4.804 5.956 ( -1.636 -4.167 -1.873) 4.853 7.424 ( -6.897 -2.617 -1.623) 7.553 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 5.138 1.292 -0.149) 5.300 1.702 ( 2.182 1.512 -0.150) 2.659 1.915 ( 0.106 -0.024 0.164) 0.197 2.389 ( -2.058 -2.010 0.783) 2.981 3.252 ( 21.090 5.348 0.184) 21.758 4.063 ( -5.228 2.016 -0.372) 5.616 5.337 ( 3.231 0.302 -1.043) 3.408 5.344 ( -0.995 0.542 0.818) 1.397 5.509 ( -4.616 0.359 -0.448) 4.651 5.834 ( 5.349 0.338 0.422) 5.376 5.904 ( -0.191 -2.477 0.043) 2.485 7.291 ( -6.142 -0.902 -0.715) 6.249 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 4.280 -0.219 -0.337) 4.298 1.725 ( -0.595 0.721 0.620) 1.122 1.918 ( 0.245 0.040 0.102) 0.268 2.337 ( -2.243 -1.038 -0.433) 2.509 3.617 ( 18.120 -0.497 -0.087) 18.127 3.931 ( -11.081 0.136 -0.163) 11.083 5.322 ( -0.711 -0.243 -0.280) 0.802 5.398 ( 2.084 -2.883 -1.740) 3.960 5.443 ( -2.214 4.418 2.549) 5.560 5.873 ( -0.849 0.103 0.035) 0.856 5.929 ( 3.322 -0.786 -0.268) 3.424 7.212 ( -2.570 0.454 0.063) 2.611 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.392 -3.963 -0.248) 4.636 1.776 ( 2.522 2.999 0.622) 3.967 1.925 ( 0.298 0.321 0.072) 0.444 2.298 ( -1.447 -0.154 -0.513) 1.543 3.610 ( -9.417 -15.345 -0.070) 18.005 3.918 ( 4.760 7.996 -0.154) 9.307 5.315 ( -0.796 0.782 0.518) 1.231 5.346 ( -1.130 -2.509 -0.964) 2.915 5.553 ( 5.801 5.033 1.253) 7.782 5.838 ( -2.069 -3.174 -0.908) 3.896 5.937 ( -1.133 -0.157 0.386) 1.207 7.218 ( 1.604 1.870 0.061) 2.464 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -3.699 -3.666 -0.143) 5.210 1.839 ( 0.622 3.716 -0.348) 3.784 1.928 ( -0.965 1.031 0.116) 1.417 2.293 ( 1.631 -0.588 0.974) 1.988 3.249 ( -15.139 -14.536 0.207) 20.989 4.024 ( 0.732 3.859 -0.360) 3.944 5.281 ( -2.282 -1.669 0.402) 2.855 5.344 ( 0.766 1.287 -0.417) 1.554 5.674 ( -1.032 2.497 -2.511) 3.689 5.758 ( 3.084 -6.375 2.088) 7.383 5.929 ( 0.141 1.559 0.263) 1.588 7.289 ( 4.039 2.628 -0.745) 4.877 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -3.910 -2.062 -0.343) 4.433 1.832 ( -6.205 4.377 -4.819) 8.994 1.924 ( -0.700 1.650 1.382) 2.263 2.357 ( 5.941 -1.182 3.454) 6.973 2.860 ( -15.209 -12.158 0.125) 19.472 4.018 ( -5.348 3.604 -0.397) 6.462 5.219 ( -2.795 -2.481 0.065) 3.737 5.369 ( -0.117 2.240 -0.429) 2.284 5.579 ( -4.141 -2.195 -1.455) 4.907 5.808 ( 5.522 -7.102 3.212) 9.553 5.995 ( 4.183 4.190 -1.870) 6.209 7.387 ( 5.198 1.954 -1.738) 5.818 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 0.437 -0.955) 1.050 1.575 ( 0.000 0.562 -5.516) 5.544 1.916 ( -0.000 0.085 0.349) 0.360 2.458 ( -0.000 -1.867 3.408) 3.886 2.478 ( -0.000 6.497 0.209) 6.501 4.089 ( -0.000 8.519 -0.799) 8.556 5.090 ( 0.000 -0.488 -0.347) 0.599 5.421 ( 0.000 0.046 -0.628) 0.630 5.587 ( -0.000 2.966 0.312) 2.983 5.726 ( -0.000 -3.482 3.385) 4.856 5.998 ( 0.000 -2.463 -2.948) 3.841 7.559 ( 0.000 -3.396 -1.764) 3.827 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.318 0.555 -0.164) 4.357 1.599 ( 2.687 1.812 -0.910) 3.366 1.916 ( -0.097 -0.074 0.411) 0.429 2.439 ( -0.857 -1.865 1.427) 2.500 2.629 ( 12.021 3.221 0.113) 12.445 4.143 ( -0.573 4.113 -0.812) 4.231 5.140 ( 5.971 0.067 -0.098) 5.972 5.407 ( -1.640 0.215 0.214) 1.668 5.603 ( -0.838 1.640 -0.191) 1.852 5.706 ( 0.985 -3.157 0.717) 3.384 5.966 ( -1.971 0.080 -0.737) 2.105 7.494 ( -4.080 -1.462 -1.166) 4.488 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.752 -0.088 -0.340) 5.762 1.675 ( 3.013 1.960 2.424) 4.336 1.915 ( -0.043 -0.031 0.381) 0.385 2.403 ( -1.490 -1.580 -0.787) 2.310 2.920 ( 20.010 -0.035 0.098) 20.010 4.139 ( -2.382 0.170 -0.690) 2.485 5.255 ( 6.423 0.120 -0.550) 6.448 5.377 ( -2.071 0.085 0.638) 2.169 5.585 ( -2.775 0.686 0.539) 2.909 5.724 ( 4.672 -1.538 -0.991) 5.018 5.931 ( -2.715 1.119 0.846) 3.056 7.398 ( -6.438 0.625 -0.470) 6.485 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 5.252 -1.545 -0.534) 5.500 1.728 ( 1.030 0.351 2.563) 2.784 1.916 ( 0.068 -0.145 0.251) 0.297 2.362 ( -1.701 -0.152 -2.152) 2.747 3.248 ( 20.788 -5.692 -0.203) 21.554 4.062 ( -5.174 -1.897 -0.545) 5.538 5.316 ( 1.320 -0.954 -1.674) 2.335 5.357 ( 0.017 -0.335 0.542) 0.638 5.543 ( -3.425 2.090 3.258) 5.168 5.819 ( 7.028 -1.029 -1.262) 7.214 5.908 ( -2.115 2.211 0.395) 3.085 7.302 ( -6.118 2.134 0.422) 6.493 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.488 -4.665 -0.469) 4.919 1.758 ( 2.178 0.751 2.035) 3.074 1.917 ( 0.528 -0.382 -0.057) 0.654 2.332 ( -1.994 1.635 -2.406) 3.527 3.417 ( 9.623 -16.493 -0.631) 19.106 3.978 ( -2.334 1.899 -0.115) 3.011 5.310 ( 0.516 -1.134 -1.435) 1.900 5.344 ( -0.852 -1.311 -0.051) 1.564 5.564 ( 0.743 4.348 4.735) 6.472 5.857 ( -1.646 -0.737 0.126) 1.808 5.919 ( 1.438 0.522 -2.022) 2.535 7.255 ( -2.735 3.520 0.990) 4.566 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -1.433 -5.055 -0.133) 5.256 1.828 ( 3.964 1.178 2.028) 4.606 1.929 ( 1.161 -0.072 -0.054) 1.165 2.307 ( -2.393 2.127 -2.127) 3.844 3.251 ( -5.211 -20.392 -0.203) 21.048 4.023 ( 2.972 2.509 -0.091) 3.890 5.286 ( -0.820 -3.027 -0.662) 3.206 5.342 ( 0.883 1.497 0.120) 1.742 5.645 ( 3.535 -0.617 3.734) 5.179 5.780 ( -6.724 0.949 -2.408) 7.205 5.930 ( 0.917 0.241 0.009) 0.948 7.282 ( 0.750 4.415 0.637) 4.523 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -2.000 -3.464 -0.000) 3.999 1.906 ( 1.725 2.988 -0.000) 3.451 1.948 ( 0.392 0.680 -0.000) 0.785 2.291 ( 0.212 0.368 -0.000) 0.425 2.931 ( -9.845 -17.052 -0.000) 19.690 4.077 ( 0.817 1.416 -0.000) 1.635 5.230 ( -1.950 -3.377 -0.000) 3.900 5.388 ( 1.703 2.949 -0.000) 3.405 5.612 ( -3.322 -5.754 -0.000) 6.645 5.708 ( -0.979 -1.697 -0.000) 1.959 5.983 ( 2.483 4.301 -0.000) 4.967 7.351 ( 2.171 3.761 0.000) 4.343 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 0.503 0.496) 0.707 1.604 ( -0.000 3.335 3.770) 5.033 1.917 ( -0.000 -0.113 0.510) 0.522 2.429 ( 0.000 -1.969 -0.622) 2.065 2.541 ( 0.000 -0.087 -0.020) 0.089 4.167 ( 0.000 0.371 -0.781) 0.865 5.087 ( -0.000 0.241 0.485) 0.541 5.426 ( -0.000 0.271 1.034) 1.069 5.614 ( 0.000 -0.228 -0.519) 0.567 5.672 ( 0.000 -1.569 -2.381) 2.852 5.996 ( -0.000 1.557 1.521) 2.176 7.521 ( 0.000 0.584 -0.852) 1.033 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 3.692 -0.011 0.525) 3.729 1.672 ( 1.577 3.085 6.645) 7.494 1.917 ( -0.087 -0.053 0.563) 0.573 2.402 ( -0.660 -1.243 -2.643) 2.994 2.629 ( 12.145 -3.325 0.053) 12.592 4.144 ( -0.674 -3.668 -0.741) 3.802 5.146 ( 5.734 0.314 0.457) 5.761 5.415 ( -1.876 0.091 1.050) 2.152 5.603 ( -0.033 -1.668 -0.026) 1.669 5.666 ( 1.184 0.638 -3.323) 3.585 6.000 ( -2.315 2.408 2.590) 4.227 7.502 ( -3.979 2.747 -0.431) 4.854 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 4.672 -1.537 -0.171) 4.922 1.727 ( 0.615 0.158 5.637) 5.673 1.914 ( -0.197 -0.720 0.182) 0.769 2.376 ( -0.750 0.779 -3.329) 3.500 2.849 ( 18.747 -7.245 0.126) 20.098 4.069 ( -1.510 -7.145 -0.803) 7.347 5.245 ( 5.186 -0.973 -0.655) 5.317 5.380 ( -2.259 0.002 0.383) 2.291 5.585 ( -0.113 -1.995 2.238) 3.000 5.718 ( 4.215 2.579 -2.080) 5.361 5.991 ( -3.259 4.279 1.801) 5.673 7.444 ( -6.649 4.116 0.383) 7.829 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.477 -4.341 -0.929) 5.639 1.739 ( 0.593 -1.725 4.356) 4.723 1.900 ( 0.337 -1.538 -0.908) 1.817 2.373 ( -1.001 3.199 -2.933) 4.454 3.049 ( 15.535 -13.993 -0.302) 20.910 3.975 ( -0.148 -7.153 -0.480) 7.170 5.277 ( 1.464 -2.458 -1.534) 3.246 5.351 ( -1.293 0.075 0.026) 1.296 5.586 ( 0.937 -1.267 4.353) 4.629 5.821 ( 4.544 2.657 -0.060) 5.264 5.982 ( -4.202 5.620 -0.853) 7.069 7.377 ( -6.303 5.060 1.470) 8.216 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.317 -5.929 -0.577) 6.101 1.761 ( 3.446 -2.819 4.289) 6.182 1.901 ( 1.525 -0.647 -1.327) 2.123 2.376 ( -2.331 4.411 -3.035) 5.840 3.051 ( 4.615 -20.136 -0.323) 20.661 3.957 ( 4.638 -4.232 -0.040) 6.279 5.257 ( 0.268 -3.226 -1.009) 3.391 5.343 ( 0.029 0.704 0.227) 0.741 5.600 ( 1.316 -3.318 3.539) 5.027 5.909 ( 2.552 3.179 1.350) 4.294 5.932 ( -7.540 5.146 -2.826) 9.557 7.356 ( -3.169 5.895 2.018) 6.990 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.000 0.223 1.305) 1.324 1.715 ( -0.000 2.209 9.047) 9.313 1.920 ( -0.000 -0.115 0.814) 0.822 2.392 ( 0.000 0.416 -3.660) 3.683 2.474 ( 0.000 -6.643 -0.124) 6.644 4.088 ( 0.000 -8.513 -0.871) 8.558 5.103 ( -0.000 0.738 1.012) 1.253 5.437 ( -0.000 0.121 0.993) 1.000 5.574 ( 0.000 -3.215 -1.058) 3.384 5.663 ( 0.000 2.706 -3.030) 4.063 6.057 ( -0.000 3.533 3.269) 4.814 7.572 ( -0.000 4.925 -0.364) 4.938 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 2.221 -0.836 0.674) 2.466 1.742 ( -0.349 -1.486 7.202) 7.362 1.909 ( -0.676 -1.764 -0.260) 1.907 2.386 ( -0.150 1.290 -2.604) 2.910 2.514 ( 11.842 -7.304 0.399) 13.919 3.978 ( 0.051 -13.393 -1.133) 13.441 5.151 ( 4.247 -0.279 0.439) 4.279 5.422 ( -2.062 0.431 0.093) 2.109 5.545 ( 0.965 -3.629 -0.464) 3.783 5.706 ( 1.690 4.539 -0.522) 4.872 6.093 ( -2.037 5.913 2.417) 6.705 7.589 ( -4.329 6.200 0.128) 7.563 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 2.217 -3.759 -0.900) 4.456 1.725 ( -0.225 -4.343 5.528) 7.034 1.869 ( -0.005 -3.142 -2.393) 3.949 2.404 ( 0.714 2.248 -1.564) 2.830 2.668 ( 14.426 -10.049 0.788) 17.598 3.845 ( 2.044 -15.698 -1.017) 15.863 5.203 ( 3.231 -2.987 -1.084) 4.532 5.390 ( -2.374 1.184 0.069) 2.653 5.541 ( 2.176 -2.932 1.274) 3.867 5.800 ( 3.188 5.417 1.796) 6.537 6.118 ( -3.782 8.229 0.095) 9.057 7.555 ( -7.084 6.725 1.302) 9.854 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 2.282 -6.653 -1.388) 7.169 1.696 ( 1.208 -6.174 5.263) 8.202 1.855 ( 2.029 -1.522 -2.590) 3.625 2.431 ( 0.108 2.410 -1.719) 2.962 2.753 ( 8.866 -14.621 0.421) 17.105 3.772 ( 7.199 -13.595 -0.546) 15.394 5.200 ( 1.739 -4.309 -1.367) 4.844 5.371 ( -1.809 1.799 0.615) 2.624 5.551 ( 1.552 -3.339 2.001) 4.190 5.906 ( 2.306 4.451 1.818) 5.332 6.116 ( -6.321 9.109 -1.992) 11.265 7.510 ( -6.548 7.154 2.817) 10.099 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.000 -0.933 0.502) 1.060 1.733 ( -0.000 -5.312 5.235) 7.458 1.891 ( 0.000 -3.534 -1.887) 4.006 2.293 ( 0.000 -11.883 0.162) 11.884 2.449 ( -0.000 6.667 1.236) 6.781 3.812 ( 0.000 -19.585 -1.583) 19.649 5.116 ( -0.000 -0.312 0.665) 0.734 5.448 ( 0.000 1.152 -0.581) 1.291 5.498 ( 0.000 -3.375 -0.746) 3.457 5.740 ( -0.000 5.459 1.356) 5.625 6.184 ( -0.000 8.183 1.821) 8.383 7.694 ( -0.000 7.429 0.100) 7.429 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.047 -3.428 -1.312) 3.671 1.678 ( 0.421 -8.591 2.802) 9.046 1.829 ( -0.783 -4.745 -3.033) 5.686 2.253 ( 8.519 -12.678 -0.089) 15.275 2.540 ( 1.522 6.570 3.696) 7.690 3.612 ( 2.293 -23.481 -1.700) 23.654 5.126 ( 2.006 -2.616 -0.364) 3.317 5.441 ( -1.751 1.690 -0.276) 2.449 5.488 ( 1.534 -1.291 -0.169) 2.013 5.820 ( 1.951 5.964 3.418) 7.145 6.259 ( -2.249 10.352 0.088) 10.594 7.729 ( -4.538 7.726 0.815) 8.997 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.266 -8.048 -3.057) 8.613 1.615 ( 1.555 -9.544 3.237) 10.197 1.789 ( 2.081 -3.363 -2.586) 4.725 2.290 ( 9.639 -13.020 -0.587) 16.210 2.625 ( 0.850 3.794 3.207) 5.040 3.461 ( 8.109 -22.930 -1.442) 24.365 5.120 ( 1.924 -4.557 -1.210) 5.092 5.431 ( -2.158 2.805 0.580) 3.586 5.507 ( 1.416 -1.055 0.604) 1.866 5.926 ( 2.151 5.547 3.446) 6.875 6.302 ( -4.948 11.217 -2.075) 12.434 7.708 ( -6.993 7.701 2.565) 10.713 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 -4.482 -2.755) 5.261 1.565 ( 0.000 -12.887 -2.251) 13.082 1.778 ( 0.000 -6.295 -2.443) 6.753 2.044 ( 0.000 -13.545 1.560) 13.635 2.618 ( -0.000 7.273 5.731) 9.259 3.329 ( 0.000 -28.687 -2.199) 28.772 5.083 ( 0.000 -3.253 -0.309) 3.268 5.462 ( -0.000 0.156 0.240) 0.286 5.484 ( 0.000 3.068 -0.773) 3.164 5.873 ( -0.000 5.911 4.919) 7.690 6.387 ( -0.000 12.184 -0.652) 12.201 7.846 ( -0.000 7.807 0.658) 7.835 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.874 -10.585 -5.895) 12.452 1.465 ( 4.073 -12.694 -1.938) 13.471 1.709 ( 1.089 -6.781 -1.104) 6.956 2.001 ( 8.047 -12.606 1.238) 15.007 2.693 ( -0.673 5.203 5.778) 7.805 3.079 ( 5.680 -29.399 -2.621) 30.057 5.051 ( 0.724 -4.338 -0.757) 4.463 5.477 ( 0.236 1.947 0.649) 2.066 5.507 ( -0.787 2.962 -0.330) 3.082 5.960 ( 1.626 5.499 5.215) 7.751 6.481 ( -3.100 12.914 -1.977) 13.427 7.885 ( -4.235 7.362 1.626) 8.648 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 -12.302 -7.378) 14.344 1.237 ( 0.000 -17.360 -7.828) 19.044 1.612 ( 0.000 -10.878 0.354) 10.883 1.833 ( -0.000 -9.159 3.518) 9.811 2.690 ( -0.000 -27.105 4.874) 27.540 2.794 ( 0.000 -0.792 -2.079) 2.225 5.004 ( 0.000 -4.204 -0.532) 4.237 5.498 ( -0.000 2.831 0.548) 2.883 5.549 ( -0.000 3.633 -0.331) 3.648 6.014 ( -0.000 4.925 6.575) 8.215 6.631 ( 0.000 13.684 -2.044) 13.836 7.991 ( -0.000 6.472 1.039) 6.555 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -0.000 0.000 21.202) 21.202 0.391 ( -0.000 0.000 21.202) 21.202 0.702 ( -0.000 0.000 38.504) 38.504 1.624 ( 0.000 -0.000 -3.820) 3.820 1.624 ( 0.000 -0.000 -3.820) 3.820 3.319 ( 0.000 -0.000 -10.974) 10.974 4.880 ( -0.000 0.000 0.837) 0.837 4.880 ( -0.000 0.000 0.837) 0.837 5.628 ( 0.000 -0.000 -0.651) 0.651 5.628 ( 0.000 -0.000 -0.651) 0.651 7.173 ( -0.000 0.000 1.982) 1.982 7.880 ( 0.000 -0.000 -0.665) 0.665 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 8.398 4.849 13.698) 16.783 0.603 ( 6.254 3.611 20.817) 22.034 1.144 ( 23.176 13.381 23.999) 35.946 1.655 ( 2.795 1.614 -3.155) 4.514 1.690 ( 8.435 4.870 -5.756) 11.314 2.943 ( -10.090 -5.825 -1.031) 11.696 4.897 ( 1.201 0.694 0.894) 1.650 5.607 ( -1.634 -0.944 -0.659) 1.999 5.617 ( -0.157 -0.091 -1.321) 1.333 5.717 ( 28.800 16.628 -27.766) 43.323 7.160 ( -3.850 -2.223 4.824) 6.560 7.891 ( 0.497 0.287 -10.907) 10.922 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 12.454 7.190 5.899) 15.544 0.815 ( 8.136 4.697 11.631) 14.951 1.582 ( 10.151 5.861 9.133) 14.859 1.734 ( 5.232 3.021 -2.241) 6.443 2.058 ( 25.131 14.509 -1.081) 29.039 2.818 ( -1.635 -0.944 -4.603) 4.975 4.938 ( 2.295 1.325 0.739) 2.751 5.558 ( -2.473 -1.428 -0.546) 2.907 5.581 ( -2.495 -1.440 -1.409) 3.207 6.013 ( 7.419 4.283 -11.415) 14.272 7.018 ( -10.314 -5.955 9.430) 15.191 7.828 ( -2.364 -1.365 -15.115) 15.360 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 9.077 5.241 2.260) 10.722 1.029 ( 10.481 6.051 1.740) 12.227 1.761 ( 5.700 3.291 3.240) 7.336 1.881 ( 8.432 4.868 -1.075) 9.795 2.555 ( 13.295 7.676 -5.757) 16.396 2.900 ( 14.021 8.095 2.463) 16.376 5.000 ( 2.988 1.725 0.397) 3.473 5.501 ( -3.976 -2.295 -1.704) 4.897 5.505 ( -1.940 -1.120 -0.278) 2.257 6.069 ( 0.592 0.342 -4.399) 4.452 6.775 ( -13.916 -8.035 8.910) 18.374 7.712 ( -3.884 -2.243 -12.684) 13.453 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 6.692 3.863 -0.498) 7.743 1.237 ( 10.208 5.893 -3.775) 12.377 1.870 ( 3.554 2.052 1.637) 4.419 2.094 ( 10.455 6.036 -0.185) 12.074 2.642 ( 0.435 0.251 -3.645) 3.679 3.365 ( 21.397 12.354 2.593) 24.843 5.064 ( 2.484 1.434 -0.152) 2.872 5.411 ( -3.284 -1.896 -1.302) 4.009 5.481 ( 0.047 0.027 0.220) 0.227 6.038 ( -2.145 -1.238 -1.579) 2.937 6.462 ( -15.558 -8.983 3.613) 18.325 7.596 ( -3.654 -2.109 -6.864) 8.057 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 3.876 2.238 -1.312) 4.663 1.461 ( 11.306 6.527 -6.734) 14.689 1.932 ( 1.814 1.047 0.521) 2.158 2.318 ( 9.171 5.295 0.112) 10.590 2.603 ( -3.489 -2.014 0.319) 4.041 3.778 ( 14.707 8.491 1.091) 17.017 5.103 ( 1.152 0.665 -0.768) 1.536 5.366 ( -0.301 -0.174 -0.308) 0.464 5.508 ( 1.977 1.142 0.817) 2.425 5.965 ( -5.949 -3.435 2.923) 7.465 6.146 ( -10.345 -5.973 -4.375) 12.721 7.511 ( -2.845 -1.643 -1.817) 3.754 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.111 1.219 -1.325) 2.775 1.694 ( 11.442 6.606 -8.400) 15.657 1.957 ( 0.456 0.263 -0.481) 0.713 2.482 ( 5.173 2.987 0.127) 5.974 2.491 ( -6.805 -3.929 2.826) 8.351 4.021 ( 7.153 4.130 0.890) 8.308 5.117 ( 0.505 0.291 -1.069) 1.218 5.400 ( 3.254 1.879 0.402) 3.779 5.556 ( 1.668 0.963 1.119) 2.228 5.743 ( -11.667 -6.736 1.888) 13.604 6.056 ( 0.685 0.396 -4.003) 4.081 7.459 ( -1.593 -0.920 0.771) 1.994 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.787 0.454 -0.911) 1.286 1.893 ( 7.270 4.197 -8.623) 12.034 1.955 ( -0.084 -0.048 -0.994) 0.999 2.348 ( -5.544 -3.201 3.676) 7.381 2.539 ( -0.148 -0.085 0.051) 0.178 4.110 ( 0.517 0.298 1.506) 1.620 5.124 ( 0.427 0.246 -0.996) 1.111 5.501 ( 4.404 2.543 -1.707) 5.364 5.537 ( -5.681 -3.280 2.694) 7.091 5.575 ( -0.407 -0.235 1.064) 1.163 6.080 ( 1.702 0.983 -1.870) 2.713 7.453 ( 0.935 0.540 1.954) 2.233 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.518 -0.299 -0.135) 0.613 1.900 ( -3.021 -1.744 -2.519) 4.303 1.940 ( -3.389 -1.957 0.461) 3.941 2.349 ( 5.542 3.199 -1.973) 6.696 2.475 ( -5.551 -3.205 -0.141) 6.411 4.044 ( -7.274 -4.200 1.850) 8.600 5.129 ( 0.220 0.127 -0.622) 0.672 5.429 ( -2.499 -1.443 1.628) 3.313 5.545 ( -2.380 -1.374 0.715) 2.839 5.653 ( 7.164 4.136 -2.211) 8.563 6.119 ( 2.593 1.497 -0.931) 3.135 7.520 ( 4.378 2.528 3.025) 5.892 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.255 -1.302 1.194) 2.864 1.750 ( -9.707 -5.604 4.924) 12.242 1.869 ( -3.121 -1.802 -1.369) 3.855 2.300 ( -9.746 -5.627 -0.608) 11.270 2.506 ( 8.220 4.746 -4.230) 10.392 3.782 ( -16.848 -9.727 1.402) 19.505 5.123 ( -0.930 -0.537 -0.017) 1.074 5.420 ( 0.994 0.574 2.102) 2.395 5.489 ( -2.254 -1.302 0.111) 2.605 5.800 ( 6.798 3.925 -4.725) 9.162 6.209 ( 6.005 3.467 -0.726) 6.972 7.660 ( 7.032 4.060 3.726) 8.934 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -5.349 -3.088 3.598) 7.148 1.521 ( -12.509 -7.222 7.203) 16.141 1.774 ( -5.314 -3.068 -1.385) 6.291 2.059 ( -11.009 -6.356 -1.716) 12.828 2.663 ( 6.701 3.869 -3.917) 8.673 3.314 ( -25.093 -14.487 1.032) 28.993 5.080 ( -3.000 -1.732 0.474) 3.496 5.465 ( 0.342 0.198 -0.427) 0.582 5.474 ( 3.034 1.752 1.457) 3.794 5.922 ( 5.599 3.232 -5.845) 8.716 6.385 ( 9.769 5.640 -0.075) 11.280 7.837 ( 7.579 4.376 2.667) 9.149 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.000 16.304 12.044) 20.270 0.750 ( -0.000 15.038 16.902) 22.624 1.130 ( -0.000 16.934 28.843) 33.447 1.587 ( 0.000 0.540 -6.282) 6.305 1.728 ( 0.000 12.208 -3.924) 12.823 2.940 ( 0.000 -12.211 -3.172) 12.616 4.898 ( -0.000 1.404 0.921) 1.679 5.603 ( 0.000 -2.049 -0.761) 2.186 5.605 ( 0.000 27.320 -20.930) 34.416 5.622 ( 0.000 4.565 -4.703) 6.554 7.168 ( -0.000 -4.520 4.562) 6.422 7.884 ( 0.000 1.971 -9.669) 9.868 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.236 18.790 6.068) 19.785 0.887 ( -2.619 12.225 17.869) 21.808 1.501 ( 10.793 8.825 13.862) 19.661 1.647 ( 7.566 3.104 -4.348) 9.262 1.934 ( 9.486 21.504 -2.033) 23.591 2.814 ( -2.005 -3.877 -5.929) 7.363 4.928 ( 1.150 2.079 0.947) 2.558 5.568 ( -1.102 -2.497 -0.725) 2.824 5.595 ( -1.440 -1.530 -1.281) 2.461 5.875 ( 9.625 9.680 -14.595) 19.984 7.086 ( -4.093 -9.950 8.135) 13.488 7.838 ( -3.333 1.697 -13.788) 14.286 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.274 10.288 11.630) 15.530 1.050 ( 3.482 15.402 1.183) 15.835 1.694 ( 6.758 3.313 2.435) 7.911 1.824 ( 6.655 8.010 -0.648) 10.434 2.391 ( 16.228 17.027 -3.120) 23.728 2.809 ( 5.558 4.543 -1.681) 7.373 4.981 ( 2.075 2.790 0.903) 3.592 5.520 ( -1.684 -2.190 -0.826) 2.883 5.533 ( -2.970 -2.315 -1.427) 4.027 6.006 ( 4.803 0.287 -6.731) 8.274 6.895 ( -8.647 -12.667 9.582) 18.084 7.733 ( -4.991 0.270 -13.643) 14.530 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 3.510 7.628 4.428) 9.493 1.237 ( 3.144 11.949 -1.940) 12.507 1.826 ( 4.702 2.235 1.859) 5.528 2.035 ( 7.597 11.902 -0.638) 14.135 2.598 ( 3.647 1.475 -5.823) 7.028 3.165 ( 19.210 15.916 3.070) 25.135 5.051 ( 2.114 3.396 0.689) 4.059 5.441 ( -3.400 -2.754 -1.459) 4.612 5.487 ( -0.835 -0.446 -0.420) 1.035 6.022 ( 0.978 -2.548 -3.733) 4.625 6.617 ( -12.797 -12.535 6.312) 18.993 7.613 ( -4.118 -1.779 -8.772) 9.853 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 3.860 5.510 1.150) 6.825 1.390 ( 4.747 9.890 -4.576) 11.886 1.905 ( 2.670 0.878 0.801) 2.923 2.282 ( 6.621 13.383 0.091) 14.932 2.614 ( -0.031 -1.191 -1.832) 2.186 3.617 ( 16.399 12.075 1.564) 20.425 5.111 ( 0.615 3.610 0.150) 3.665 5.372 ( -1.571 -1.499 -0.674) 2.274 5.492 ( 1.230 0.826 0.096) 1.485 5.990 ( -0.342 -2.443 -1.862) 3.091 6.281 ( -14.797 -10.436 0.737) 18.122 7.517 ( -2.165 -3.404 -3.096) 5.085 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.329 4.124 -0.382) 4.350 1.574 ( 8.268 8.364 -6.234) 13.310 1.942 ( 1.272 -0.055 -0.199) 1.288 2.473 ( 1.859 6.165 1.147) 6.541 2.578 ( -3.025 3.594 0.084) 4.699 3.931 ( 9.969 6.532 1.062) 11.966 5.141 ( -0.982 3.738 -0.445) 3.890 5.367 ( 1.835 0.111 0.209) 1.850 5.534 ( 2.132 0.935 0.767) 2.451 5.908 ( -11.829 -4.127 2.862) 12.851 6.016 ( -0.721 -3.986 -5.716) 7.006 7.455 ( -0.596 -3.819 0.235) 3.873 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.055 3.165 -0.732) 3.249 1.768 ( 8.747 5.676 -7.928) 13.099 1.949 ( 0.227 -0.492 -0.884) 1.037 2.414 ( -5.184 -4.793 3.118) 7.718 2.637 ( -3.789 12.146 -0.193) 12.725 4.088 ( 3.796 1.881 1.419) 4.468 5.153 ( -1.602 3.882 -0.653) 4.250 5.425 ( 4.244 -0.118 -0.127) 4.248 5.564 ( -0.022 -0.066 1.698) 1.700 5.683 ( -9.406 -0.343 0.316) 9.417 6.023 ( 3.489 -1.815 -2.562) 4.694 7.429 ( 1.257 -2.873 1.544) 3.495 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -1.136 2.097 -0.470) 2.430 1.881 ( 2.762 -0.115 -6.643) 7.195 1.944 ( -0.008 -0.772 -1.026) 1.284 2.322 ( -1.249 -1.276 2.458) 3.039 2.633 ( -9.062 9.300 -0.248) 12.987 4.103 ( -2.711 -2.167 1.810) 3.915 5.160 ( -1.790 3.608 -0.466) 4.055 5.438 ( -0.446 -3.732 -0.055) 3.759 5.570 ( -1.479 1.615 2.582) 3.385 5.628 ( 0.889 4.438 -1.718) 4.841 6.061 ( 3.849 -1.649 -1.407) 4.418 7.460 ( 4.340 -1.146 2.222) 5.009 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -2.272 0.416 0.324) 2.332 1.841 ( -4.392 -2.600 -2.558) 5.709 1.887 ( -2.869 -3.576 1.566) 4.845 2.372 ( 3.580 0.997 -1.196) 3.904 2.528 ( -10.647 7.384 -1.120) 13.005 3.951 ( -11.664 -6.368 1.637) 13.390 5.156 ( -2.219 2.316 -0.047) 3.207 5.410 ( 0.569 -1.437 1.235) 1.978 5.530 ( -3.451 -0.085 0.916) 3.572 5.736 ( 4.943 5.659 -3.469) 8.276 6.124 ( 5.768 -0.073 -0.911) 5.840 7.566 ( 7.710 0.340 2.610) 8.147 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.996 -2.641 2.169) 5.258 1.681 ( -9.952 -3.768 2.401) 10.909 1.814 ( -3.313 -2.921 -0.067) 4.418 2.254 ( -14.660 0.755 -0.370) 14.684 2.574 ( 6.088 4.488 -3.719) 8.428 3.598 ( -21.676 -9.644 1.311) 23.761 5.122 ( -3.318 -0.080 0.490) 3.355 5.436 ( 2.593 -0.109 0.887) 2.742 5.486 ( -1.894 0.967 0.237) 2.140 5.858 ( 4.835 4.869 -4.787) 8.366 6.260 ( 9.513 2.337 -0.141) 9.797 7.726 ( 9.428 0.840 1.644) 9.607 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -0.000 16.791 5.961) 17.818 1.122 ( -0.000 13.189 12.409) 18.109 1.548 ( -0.000 11.001 15.714) 19.182 1.584 ( 0.000 4.494 -7.751) 8.959 2.086 ( -0.000 25.844 -1.819) 25.908 2.773 ( 0.000 -2.821 -6.491) 7.078 4.946 ( -0.000 3.002 0.826) 3.114 5.546 ( 0.000 -3.183 -0.680) 3.254 5.587 ( 0.000 -2.043 -1.416) 2.485 5.847 ( 0.000 7.815 -10.628) 13.192 7.027 ( -0.000 -13.766 8.017) 15.930 7.850 ( 0.000 2.015 -13.573) 13.722 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -0.793 13.284 3.532) 13.769 1.224 ( -3.220 11.704 8.171) 14.633 1.646 ( 3.804 6.641 0.389) 7.663 1.779 ( 8.458 8.756 2.964) 12.530 2.376 ( 6.104 19.887 -5.076) 21.413 2.783 ( 3.210 7.311 -1.500) 8.124 4.990 ( 1.096 3.692 0.913) 3.959 5.510 ( -0.490 -2.892 -0.701) 3.016 5.545 ( -1.717 -2.597 -1.567) 3.485 5.909 ( 4.131 0.885 -5.846) 7.213 6.878 ( -3.258 -16.267 8.224) 18.516 7.787 ( -4.442 1.071 -12.748) 13.542 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.406 8.254 4.442) 9.478 1.330 ( -0.102 11.761 -0.392) 11.768 1.783 ( 4.244 4.289 2.842) 6.670 2.027 ( 8.879 13.385 -0.403) 16.067 2.535 ( 3.651 2.990 -6.967) 8.415 3.077 ( 12.564 20.516 2.970) 24.240 5.059 ( 1.988 4.484 1.231) 5.057 5.459 ( -2.441 -2.937 -1.345) 4.049 5.492 ( -0.903 -1.241 -1.099) 1.888 5.945 ( 3.025 -3.085 -3.579) 5.610 6.662 ( -6.581 -16.122 6.752) 18.676 7.660 ( -6.243 -0.984 -9.678) 11.559 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.128 7.356 3.322) 8.150 1.431 ( 0.919 9.523 -3.511) 10.191 1.873 ( 2.623 1.494 1.595) 3.414 2.318 ( 7.605 16.230 0.479) 17.930 2.581 ( 2.425 0.622 -3.099) 3.984 3.498 ( 13.920 16.360 1.558) 21.537 5.141 ( 1.435 5.087 1.356) 5.457 5.385 ( -2.396 -2.184 -1.021) 3.399 5.482 ( 0.531 0.380 -1.146) 1.319 5.938 ( 1.661 -3.744 -2.983) 5.067 6.393 ( -10.349 -13.208 3.420) 17.125 7.522 ( -4.526 -3.557 -5.042) 7.652 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.591 6.165 2.009) 6.511 1.542 ( 3.866 8.466 -4.357) 10.276 1.917 ( 1.561 0.112 0.359) 1.606 2.496 ( 0.629 0.813 1.379) 1.720 2.677 ( 2.487 15.604 -0.852) 15.824 3.833 ( 10.647 9.162 0.928) 14.077 5.201 ( -0.548 5.034 0.965) 5.154 5.347 ( 0.019 -0.788 -0.256) 0.829 5.509 ( 2.033 1.019 -0.868) 2.434 5.925 ( 1.991 -2.876 -2.758) 4.455 6.099 ( -12.592 -8.111 0.701) 14.994 7.420 ( -1.343 -5.251 -1.222) 5.556 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -0.939 5.225 0.541) 5.336 1.686 ( 5.790 6.359 -4.894) 9.895 1.934 ( 0.724 -0.466 -0.431) 0.963 2.446 ( -3.198 -4.637 2.162) 6.033 2.857 ( -3.074 19.617 -0.281) 19.858 4.031 ( 6.032 2.842 1.204) 6.776 5.229 ( -1.878 4.712 0.514) 5.099 5.365 ( 2.469 -0.523 0.154) 2.528 5.554 ( 2.283 1.038 -0.420) 2.543 5.845 ( -10.535 -2.834 -0.773) 10.937 5.937 ( 2.504 -1.802 -1.448) 3.408 7.369 ( 1.341 -5.157 0.616) 5.364 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.120 4.261 0.172) 4.763 1.802 ( 4.448 2.041 -5.837) 7.617 1.935 ( 0.229 -0.391 -0.839) 0.954 2.350 ( -3.292 -3.478 2.906) 5.602 2.926 ( -9.994 17.124 -0.291) 19.830 4.102 ( 1.289 -1.528 1.574) 2.544 5.237 ( -2.329 4.005 0.508) 4.660 5.392 ( 1.623 -2.397 -0.031) 2.895 5.611 ( 2.756 3.519 -0.694) 4.524 5.694 ( -6.928 1.425 0.143) 7.074 5.966 ( 3.785 -2.556 -1.212) 4.725 7.371 ( 3.885 -3.855 1.221) 5.608 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -3.418 2.446 0.305) 4.214 1.829 ( 0.762 -1.370 -5.073) 5.310 1.913 ( -2.186 -1.941 0.545) 2.973 2.326 ( 1.877 0.343 1.704) 2.558 2.853 ( -15.412 12.353 -0.296) 19.754 4.048 ( -5.374 -4.421 1.431) 7.104 5.230 ( -2.836 2.809 0.800) 4.072 5.381 ( 0.678 -2.322 0.268) 2.434 5.615 ( -5.117 1.664 -0.008) 5.380 5.711 ( 3.812 5.786 -2.141) 7.252 6.014 ( 5.533 -2.283 -0.566) 6.012 7.435 ( 7.039 -2.484 1.256) 7.569 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -4.816 -0.526 1.170) 4.984 1.771 ( -4.421 -2.542 -4.406) 6.739 1.844 ( -3.181 -1.837 3.006) 4.746 2.395 ( 2.229 1.635 0.260) 2.776 2.676 ( -14.921 7.251 -0.832) 16.610 3.835 ( -14.753 -5.813 1.050) 15.892 5.193 ( -4.112 0.838 1.014) 4.318 5.389 ( 2.271 -1.155 0.319) 2.568 5.549 ( -4.182 1.254 -0.453) 4.389 5.823 ( 3.899 5.571 -3.358) 7.584 6.117 ( 8.714 -0.277 0.278) 8.723 7.560 ( 9.730 -1.813 0.238) 9.900 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -0.000 12.735 0.304) 12.739 1.334 ( -0.000 3.538 2.894) 4.571 1.731 ( 0.000 14.266 -2.371) 14.461 1.775 ( -0.000 6.042 7.673) 9.767 2.459 ( 0.000 8.803 -8.896) 12.515 2.884 ( -0.000 20.808 2.882) 21.006 5.019 ( -0.000 3.871 0.413) 3.893 5.484 ( 0.000 -2.494 -0.293) 2.511 5.528 ( 0.000 -2.907 -1.792) 3.415 5.865 ( 0.000 -0.549 -2.900) 2.952 6.758 ( -0.000 -18.142 6.616) 19.311 7.798 ( 0.000 0.164 -11.203) 11.204 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -1.254 3.841 -0.101) 4.042 1.425 ( 0.389 8.873 -2.276) 9.169 1.812 ( -0.283 6.261 4.034) 7.453 1.990 ( 9.802 13.164 -0.026) 16.412 2.496 ( 1.709 2.000 -5.993) 6.545 3.170 ( 4.645 25.695 2.931) 26.276 5.071 ( 1.802 3.904 0.466) 4.325 5.460 ( -0.976 -1.731 -0.548) 2.061 5.486 ( -0.695 -2.036 -1.630) 2.699 5.864 ( 1.964 -2.790 -0.999) 3.555 6.581 ( -2.077 -18.082 4.971) 18.867 7.720 ( -4.806 -1.342 -8.942) 10.240 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 1.298 4.630 0.576) 4.843 1.496 ( 0.268 7.222 -3.899) 8.212 1.868 ( 0.836 2.469 2.311) 3.484 2.313 ( 11.121 14.732 0.657) 18.470 2.534 ( 3.172 1.247 -2.222) 4.069 3.506 ( 6.988 20.901 1.341) 22.078 5.156 ( 3.018 4.335 1.006) 5.377 5.403 ( -2.539 -1.942 -1.199) 3.414 5.475 ( 0.207 0.510 -1.341) 1.450 5.863 ( 1.894 -3.572 -0.712) 4.105 6.378 ( -3.952 -15.846 3.105) 16.624 7.574 ( -6.917 -3.034 -6.000) 9.646 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 2.302 5.200 1.912) 5.999 1.562 ( 1.499 6.574 -3.975) 7.827 1.902 ( 0.836 0.749 0.935) 1.460 2.483 ( 0.881 -0.898 1.530) 1.981 2.740 ( 10.292 17.227 -0.373) 20.071 3.788 ( 6.670 12.678 0.460) 14.333 5.245 ( 1.668 4.223 1.386) 4.747 5.351 ( -1.454 -0.756 -0.604) 1.747 5.487 ( 0.858 1.080 -2.062) 2.481 5.859 ( 1.722 -2.692 -1.243) 3.429 6.170 ( -5.991 -11.037 1.545) 12.653 7.418 ( -5.177 -4.496 -2.937) 7.460 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.147 5.165 1.155) 5.295 1.656 ( 3.633 5.460 -2.759) 7.115 1.919 ( 0.592 -0.041 0.122) 0.606 2.450 ( -1.813 -4.003 1.681) 4.705 3.059 ( 4.373 20.973 0.198) 21.425 3.966 ( 4.955 3.846 0.542) 6.296 5.293 ( -0.351 3.406 1.251) 3.645 5.339 ( 0.175 -0.062 -0.005) 0.186 5.510 ( 2.235 -0.297 -2.399) 3.292 5.859 ( 0.981 -1.715 -1.608) 2.548 5.993 ( -6.450 -3.650 1.063) 7.487 7.311 ( -1.204 -5.055 -0.726) 5.247 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.743 5.111 0.736) 5.450 1.747 ( 3.262 2.325 -3.021) 5.017 1.924 ( 0.369 -0.182 -0.387) 0.565 2.373 ( -2.822 -3.890 1.932) 5.180 3.254 ( -5.931 20.699 0.030) 21.532 4.041 ( 3.673 -2.919 1.031) 4.804 5.306 ( -2.070 2.331 0.865) 3.235 5.350 ( 1.462 -0.552 0.441) 1.624 5.547 ( 4.589 -1.498 -2.923) 5.643 5.827 ( -4.271 1.586 0.984) 4.661 5.918 ( -1.120 -0.021 -0.763) 1.355 7.276 ( 2.418 -4.445 0.227) 5.065 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -3.906 3.693 0.688) 5.419 1.785 ( 1.615 -0.442 -3.400) 3.790 1.922 ( -0.458 -0.499 -0.381) 0.777 2.319 ( -0.561 -1.517 2.325) 2.832 3.246 ( -15.341 14.677 0.035) 21.231 4.046 ( 0.907 -4.778 1.034) 4.972 5.290 ( -1.718 0.802 1.118) 2.201 5.358 ( 0.006 -0.977 0.322) 1.028 5.616 ( 5.003 -0.275 -4.450) 6.702 5.787 ( -4.861 6.133 2.170) 8.122 5.917 ( 2.538 -2.150 -0.522) 3.367 7.304 ( 5.255 -3.263 0.207) 6.189 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -5.689 0.710 0.840) 5.795 1.778 ( -0.822 -0.691 -4.170) 4.306 1.890 ( -2.481 -0.808 1.341) 2.934 2.350 ( 3.586 0.755 2.144) 4.245 3.047 ( -19.702 6.261 0.179) 20.673 3.970 ( -6.161 -3.371 0.581) 7.047 5.264 ( -2.875 0.102 1.315) 3.163 5.350 ( 0.833 -1.043 0.096) 1.339 5.623 ( -2.960 0.500 -3.528) 4.632 5.823 ( 1.412 5.928 -0.646) 6.128 5.973 ( 6.985 -2.143 1.104) 7.389 7.388 ( 7.917 -2.293 -0.732) 8.275 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 0.754 -2.116) 2.246 1.487 ( 0.000 7.005 -5.928) 9.177 1.880 ( -0.000 2.213 1.799) 2.852 2.028 ( -0.000 15.428 0.660) 15.442 2.484 ( 0.000 1.137 -1.839) 2.162 3.397 ( -0.000 25.915 2.039) 25.995 5.082 ( 0.000 2.220 -0.378) 2.252 5.463 ( 0.000 -2.351 -2.231) 3.241 5.465 ( -0.000 0.854 0.427) 0.955 5.824 ( -0.000 -2.640 1.720) 3.151 6.433 ( -0.000 -17.876 2.610) 18.065 7.720 ( 0.000 -2.409 -7.354) 7.739 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 1.994 1.616 -1.655) 3.054 1.527 ( 0.862 4.577 -6.965) 8.379 1.894 ( -0.336 1.610 1.078) 1.967 2.263 ( 9.903 13.686 0.430) 16.898 2.501 ( 1.170 0.256 1.360) 1.813 3.650 ( 1.790 21.580 0.716) 21.666 5.127 ( 3.518 1.616 -0.304) 3.883 5.420 ( -1.784 -1.423 -1.825) 2.922 5.485 ( -0.069 2.400 -0.027) 2.402 5.814 ( 0.720 -2.577 2.849) 3.908 6.265 ( -0.932 -15.822 0.628) 15.862 7.630 ( -4.845 -3.289 -5.453) 8.001 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 4.280 2.880 0.224) 5.164 1.574 ( 2.049 4.113 -5.037) 6.818 1.907 ( 0.057 0.806 0.735) 1.092 2.471 ( 0.723 0.068 2.538) 2.640 2.656 ( 15.136 11.738 0.008) 19.154 3.859 ( 1.699 14.832 -0.121) 14.929 5.221 ( 5.034 2.052 0.092) 5.437 5.372 ( -2.067 -0.503 -1.142) 2.415 5.502 ( -0.906 2.743 -0.876) 3.019 5.814 ( 1.080 -2.001 2.324) 3.252 6.110 ( -1.221 -12.251 -0.242) 12.314 7.479 ( -7.117 -3.512 -3.482) 8.667 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.812 3.124 0.519) 4.956 1.645 ( 2.760 4.218 -2.052) 5.443 1.915 ( 0.144 0.198 0.332) 0.413 2.447 ( -1.527 -3.086 1.814) 3.892 3.058 ( 16.232 14.225 0.256) 21.585 3.978 ( -0.186 6.938 -0.246) 6.945 5.308 ( 2.308 2.048 0.365) 3.108 5.344 ( -0.551 0.022 -0.352) 0.654 5.496 ( -1.595 0.897 -1.557) 2.402 5.830 ( 1.579 -0.172 0.593) 1.696 5.998 ( -0.681 -7.212 0.382) 7.254 7.327 ( -5.736 -3.155 -1.688) 6.761 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 1.706 3.905 0.188) 4.265 1.715 ( 2.078 1.814 -0.741) 2.856 1.918 ( 0.181 -0.018 0.021) 0.184 2.384 ( -2.366 -3.466 0.946) 4.302 3.433 ( 9.532 16.452 0.299) 19.016 3.980 ( -1.933 -2.368 0.034) 3.057 5.332 ( -0.386 -0.559 0.125) 0.691 5.361 ( 0.655 3.277 0.787) 3.433 5.462 ( 0.061 -2.833 -1.968) 3.450 5.855 ( 0.471 1.167 -0.020) 1.259 5.953 ( -0.499 -1.472 0.463) 1.622 7.232 ( -1.809 -2.583 -0.445) 3.185 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -2.378 3.553 0.655) 4.325 1.744 ( 2.056 -0.602 -1.370) 2.543 1.921 ( 0.126 0.047 -0.191) 0.234 2.323 ( -1.503 -2.262 1.032) 2.906 3.614 ( -10.004 15.117 0.180) 18.128 3.926 ( 5.459 -8.863 0.360) 10.416 5.313 ( -0.876 -0.483 0.464) 1.103 5.374 ( -2.167 0.550 0.969) 2.437 5.492 ( 6.743 -0.188 -2.716) 7.271 5.870 ( 0.391 0.208 0.666) 0.800 5.925 ( -3.361 1.361 -0.039) 3.627 7.214 ( 2.142 -1.670 -0.140) 2.720 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -5.007 -0.828 0.393) 5.090 1.775 ( 0.637 1.927 -1.791) 2.707 1.917 ( -0.936 0.162 0.067) 0.952 2.312 ( 1.668 -0.807 2.042) 2.758 3.412 ( -19.120 0.076 0.495) 19.127 3.977 ( 2.739 -0.851 0.103) 2.870 5.298 ( -1.372 -0.164 1.196) 1.828 5.344 ( -0.675 -0.940 -0.051) 1.158 5.605 ( 4.495 2.480 -4.282) 6.685 5.859 ( 0.521 -2.925 -0.179) 2.977 5.900 ( -1.202 2.354 2.237) 3.463 7.263 ( 4.865 -0.485 -0.791) 4.952 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 0.793 -2.006) 2.157 1.525 ( 0.000 2.557 -8.428) 8.807 1.909 ( -0.000 0.765 0.466) 0.896 2.299 ( -0.000 11.880 0.576) 11.894 2.500 ( -0.000 -0.652 3.718) 3.775 3.832 ( -0.000 17.970 -0.301) 17.972 5.096 ( 0.000 -0.086 -0.585) 0.591 5.420 ( 0.000 -0.606 -1.988) 2.079 5.518 ( -0.000 3.734 0.549) 3.774 5.800 ( -0.000 -2.196 5.205) 5.650 6.129 ( 0.000 -12.860 -2.067) 13.025 7.624 ( 0.000 -3.686 -4.308) 5.670 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 3.886 1.368 -0.680) 4.175 1.547 ( 2.435 2.681 -5.484) 6.572 1.915 ( -0.122 0.410 0.635) 0.765 2.468 ( 2.929 3.481 1.918) 4.937 2.528 ( 7.768 4.011 1.752) 8.916 3.981 ( 0.150 12.633 -0.947) 12.669 5.138 ( 5.075 0.166 -0.366) 5.091 5.399 ( -1.567 0.246 -1.175) 1.975 5.549 ( -0.833 3.568 0.020) 3.664 5.792 ( 0.305 -3.360 5.065) 6.086 6.015 ( -0.615 -7.848 -2.993) 8.422 7.538 ( -4.506 -3.270 -3.068) 6.357 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 5.510 1.386 -0.165) 5.684 1.623 ( 3.684 3.635 -1.079) 5.287 1.917 ( -0.122 0.055 0.514) 0.531 2.452 ( -1.569 -2.806 1.656) 3.616 2.850 ( 18.959 7.255 0.187) 20.300 4.066 ( -1.244 7.135 -0.981) 7.308 5.244 ( 6.210 0.761 -0.559) 6.281 5.371 ( -1.961 0.641 -0.180) 2.071 5.552 ( -2.477 2.501 -0.312) 3.534 5.787 ( 2.522 -3.717 2.683) 5.233 5.941 ( -1.012 -3.502 -1.396) 3.903 7.408 ( -6.691 -1.911 -1.836) 7.197 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.164 1.119 -0.521) 5.309 1.707 ( 2.018 2.545 1.183) 3.457 1.917 ( 0.005 -0.001 0.334) 0.334 2.392 ( -2.138 -3.047 -0.130) 3.724 3.253 ( 21.120 5.225 0.121) 21.757 4.058 ( -5.029 1.975 -0.763) 5.457 5.326 ( 2.622 -0.403 -1.303) 2.956 5.351 ( -0.370 1.050 0.504) 1.223 5.511 ( -4.630 1.487 0.892) 4.944 5.836 ( 4.661 -0.453 -0.020) 4.683 5.906 ( 0.377 -2.198 0.379) 2.262 7.285 ( -5.891 -0.406 -0.667) 5.943 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.228 -0.297 -0.565) 4.276 1.733 ( -0.925 1.223 1.101) 1.888 1.919 ( 0.134 0.086 0.170) 0.233 2.332 ( -1.836 -1.902 -0.799) 2.762 3.615 ( 18.112 -0.892 -0.152) 18.134 3.929 ( -10.803 0.242 -0.292) 10.810 5.318 ( -0.316 -0.599 -0.499) 0.841 5.384 ( 1.521 -2.322 -1.265) 3.051 5.468 ( -2.466 5.322 2.737) 6.472 5.873 ( -0.739 0.304 -0.138) 0.811 5.926 ( 3.326 -1.613 -0.306) 3.709 7.213 ( -2.549 0.818 0.113) 2.680 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -2.335 -4.045 -0.000) 4.671 1.779 ( 2.049 3.550 -0.000) 4.099 1.925 ( 0.230 0.398 -0.000) 0.459 2.296 ( -0.533 -0.923 -0.000) 1.066 3.610 ( -8.993 -15.577 -0.000) 17.987 3.917 ( 4.605 7.975 -0.000) 9.209 5.318 ( 0.376 0.651 0.000) 0.752 5.341 ( -1.626 -2.816 -0.000) 3.252 5.559 ( 3.834 6.641 0.000) 7.668 5.834 ( -2.093 -3.626 -0.000) 4.187 5.939 ( -0.281 -0.486 -0.000) 0.562 7.218 ( 1.206 2.089 -0.000) 2.412 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 1.010 -0.469) 1.114 1.540 ( 0.000 3.526 -2.098) 4.103 1.921 ( -0.000 0.061 0.829) 0.832 2.480 ( -0.000 6.363 0.199) 6.367 2.486 ( -0.000 -3.032 2.683) 4.049 4.079 ( 0.000 8.513 -1.441) 8.634 5.089 ( -0.000 -0.244 0.103) 0.265 5.417 ( 0.000 0.875 -0.354) 0.944 5.587 ( -0.000 2.728 -0.172) 2.734 5.753 ( -0.000 -6.367 2.355) 6.789 5.977 ( 0.000 -0.680 -1.552) 1.695 7.539 ( 0.000 -2.571 -2.429) 3.537 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 4.185 0.793 -0.040) 4.260 1.607 ( 2.663 4.815 2.493) 6.041 1.922 ( -0.168 -0.140 0.815) 0.844 2.448 ( -1.036 -3.423 0.529) 3.615 2.630 ( 12.040 3.117 0.187) 12.438 4.133 ( -0.489 4.297 -1.410) 4.549 5.140 ( 5.686 0.267 0.156) 5.694 5.411 ( -1.716 0.877 0.663) 2.038 5.600 ( -0.811 1.557 -0.584) 1.850 5.705 ( 1.527 -5.474 -0.705) 5.726 5.967 ( -2.126 1.651 0.802) 2.808 7.481 ( -3.959 -0.848 -1.733) 4.404 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 5.526 0.005 -0.415) 5.542 1.706 ( 2.167 3.506 4.310) 5.964 1.920 ( -0.137 -0.046 0.683) 0.698 2.392 ( -1.525 -2.996 -1.588) 3.718 2.922 ( 19.966 -0.065 0.189) 19.967 4.130 ( -2.287 0.300 -1.247) 2.622 5.249 ( 5.820 0.144 -0.770) 5.873 5.384 ( -2.190 0.173 0.769) 2.327 5.592 ( -2.002 1.672 1.030) 2.804 5.712 ( 5.161 -3.002 -1.446) 6.143 5.941 ( -3.108 1.862 1.324) 3.858 7.391 ( -6.171 1.133 -0.878) 6.336 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 5.232 -1.558 -0.676) 5.500 1.755 ( -0.011 0.935 3.252) 3.384 1.919 ( -0.055 -0.349 0.373) 0.514 2.341 ( -1.412 -0.935 -2.443) 2.972 3.247 ( 20.580 -5.844 -0.137) 21.394 4.055 ( -4.929 -1.760 -0.879) 5.307 5.302 ( 1.397 -0.979 -1.513) 2.280 5.359 ( -0.501 -0.496 0.044) 0.707 5.577 ( -2.878 3.265 4.162) 6.022 5.805 ( 7.588 -1.151 -1.729) 7.867 5.912 ( -2.869 1.753 0.487) 3.398 7.305 ( -5.848 2.633 0.124) 6.414 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -0.000 0.907 0.897) 1.275 1.653 ( -0.000 6.176 6.888) 9.251 1.924 ( -0.000 -0.199 0.931) 0.953 2.420 ( 0.000 -3.798 -1.365) 4.036 2.540 ( 0.000 -0.159 -0.039) 0.164 4.157 ( 0.000 0.656 -1.424) 1.568 5.094 ( -0.000 0.442 0.892) 0.996 5.440 ( -0.000 0.639 1.896) 2.001 5.607 ( 0.000 -0.419 -0.955) 1.043 5.643 ( 0.000 -2.688 -3.877) 4.718 6.014 ( -0.000 2.522 2.388) 3.473 7.510 ( 0.000 1.056 -1.602) 1.919 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.210 0.210 0.679) 3.288 1.739 ( 0.523 4.151 8.044) 9.067 1.924 ( -0.169 -0.079 0.951) 0.969 2.376 ( -0.615 -2.371 -3.037) 3.901 2.629 ( 12.275 -3.320 0.136) 12.717 4.134 ( -0.666 -3.510 -1.401) 3.837 5.150 ( 5.234 0.404 0.545) 5.277 5.425 ( -2.250 -0.339 1.196) 2.570 5.604 ( 1.034 -1.933 0.108) 2.195 5.634 ( 1.516 1.295 -3.393) 3.936 6.024 ( -2.646 2.823 2.534) 4.625 7.494 ( -3.769 3.177 -1.259) 5.087 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 4.217 -1.578 -0.215) 4.508 1.779 ( -0.583 0.266 5.766) 5.802 1.915 ( -0.427 -1.499 0.046) 1.560 2.348 ( -0.624 0.897 -2.902) 3.101 2.850 ( 18.578 -7.211 0.226) 19.930 4.060 ( -1.372 -7.026 -1.246) 7.266 5.238 ( 4.454 -0.988 -0.854) 4.642 5.382 ( -2.341 -0.295 0.069) 2.361 5.605 ( 1.763 -2.698 1.991) 3.788 5.705 ( 4.039 4.225 -0.665) 5.883 6.005 ( -4.041 4.030 1.287) 5.851 7.443 ( -6.225 4.635 -0.461) 7.775 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.000 0.183 1.106) 1.122 1.794 ( -0.000 1.271 8.357) 8.453 1.929 ( -0.000 -0.355 1.169) 1.222 2.362 ( 0.000 0.968 -2.850) 3.010 2.474 ( 0.000 -6.624 -0.041) 6.624 4.077 ( 0.000 -8.501 -1.547) 8.640 5.112 ( -0.000 0.693 1.100) 1.300 5.444 ( -0.000 -0.833 0.280) 0.879 5.563 ( 0.000 -3.174 -1.179) 3.386 5.642 ( 0.000 4.305 -1.446) 4.541 6.085 ( -0.000 3.501 2.748) 4.450 7.564 ( 0.000 5.347 -1.550) 5.567 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 1.793 -1.191 0.215) 2.163 1.801 ( -0.608 -2.674 5.752) 6.372 1.903 ( -1.116 -3.416 -1.273) 3.812 2.370 ( -0.492 2.652 -0.850) 2.828 2.520 ( 11.947 -6.651 0.789) 13.696 3.966 ( 0.162 -13.419 -1.555) 13.510 5.155 ( 3.663 -0.497 0.266) 3.706 5.419 ( -1.930 0.095 -0.659) 2.042 5.539 ( 1.513 -3.448 -0.869) 3.864 5.712 ( 2.070 5.919 1.795) 6.523 6.112 ( -2.492 5.369 1.777) 6.180 7.584 ( -3.987 6.743 -1.329) 7.946 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.000 -1.690 -0.382) 1.732 1.766 ( -0.000 -7.779 1.488) 7.919 1.871 ( 0.000 -4.500 -1.919) 4.892 2.295 ( 0.000 -11.599 0.429) 11.607 2.471 ( -0.000 8.763 3.358) 9.384 3.797 ( 0.000 -19.678 -1.685) 19.750 5.121 ( -0.000 -0.686 0.388) 0.788 5.437 ( 0.000 1.118 -1.627) 1.974 5.492 ( 0.000 -3.001 -0.485) 3.039 5.762 ( -0.000 6.757 3.459) 7.591 6.199 ( -0.000 7.354 1.404) 7.487 7.686 ( 0.000 8.061 -1.944) 8.292 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -0.000 0.000 20.261) 20.261 0.578 ( -0.000 0.000 20.261) 20.261 1.045 ( -0.000 0.000 37.630) 37.630 1.581 ( 0.000 -0.000 -5.766) 5.766 1.581 ( 0.000 -0.000 -5.766) 5.766 3.197 ( 0.000 -0.000 -15.909) 15.909 4.889 ( -0.000 0.000 1.064) 1.064 4.889 ( -0.000 0.000 1.064) 1.064 5.621 ( 0.000 -0.000 -0.831) 0.831 5.621 ( 0.000 -0.000 -0.831) 0.831 7.194 ( -0.000 0.000 2.482) 2.482 7.873 ( 0.000 -0.000 -0.869) 0.869 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 4.529 2.615 16.706) 17.506 0.796 ( 5.166 2.983 21.358) 22.176 1.369 ( 16.307 9.415 25.444) 31.654 1.618 ( 3.385 1.954 -5.008) 6.353 1.632 ( 9.082 5.244 -6.917) 12.563 2.904 ( -10.458 -6.038 -7.631) 14.285 4.906 ( 1.147 0.662 1.033) 1.679 5.501 ( 31.036 17.918 -19.013) 40.568 5.601 ( -1.589 -0.917 -0.812) 2.006 5.611 ( -0.715 -0.413 -1.266) 1.511 7.201 ( -1.539 -0.888 4.308) 4.660 7.813 ( -3.981 -2.299 -6.755) 8.171 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 9.491 5.480 9.928) 14.788 0.944 ( 3.550 2.050 16.252) 16.761 1.641 ( 6.722 3.881 3.695) 8.597 1.707 ( 5.956 3.438 -3.858) 7.885 2.064 ( 25.064 14.471 2.856) 29.082 2.766 ( -0.333 -0.192 -6.905) 6.915 4.946 ( 2.180 1.258 0.842) 2.654 5.552 ( -2.382 -1.375 -0.694) 2.837 5.568 ( -2.666 -1.539 -1.436) 3.397 5.909 ( 11.550 6.668 -11.341) 17.506 7.107 ( -9.231 -5.330 10.156) 14.723 7.694 ( -3.147 -1.817 -14.299) 14.753 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 8.542 4.932 4.628) 10.895 1.070 ( 5.035 2.907 6.920) 9.038 1.782 ( 5.293 3.056 1.536) 6.302 1.866 ( 9.163 5.290 -2.216) 10.811 2.504 ( 10.902 6.295 -5.502) 13.739 2.919 ( 17.099 9.872 1.656) 19.813 5.005 ( 2.804 1.619 0.560) 3.286 5.487 ( -3.927 -2.267 -1.395) 4.744 5.501 ( -1.773 -1.024 -0.471) 2.101 6.023 ( 2.198 1.269 -5.691) 6.231 6.855 ( -15.609 -9.012 8.613) 19.976 7.602 ( -1.669 -0.964 -11.207) 11.372 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 7.749 4.474 0.255) 8.952 1.224 ( 5.662 3.269 1.176) 6.643 1.881 ( 3.246 1.874 0.750) 3.823 2.089 ( 10.861 6.270 -0.811) 12.567 2.607 ( 2.178 1.257 -4.092) 4.803 3.387 ( 20.768 11.990 2.243) 24.086 5.064 ( 2.190 1.264 0.077) 2.530 5.402 ( -3.003 -1.734 -0.632) 3.525 5.482 ( 0.334 0.193 -0.000) 0.386 6.014 ( -0.944 -0.545 -3.576) 3.738 6.490 ( -18.026 -10.407 2.470) 20.960 7.547 ( -1.512 -0.873 -3.907) 4.279 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 3.489 2.014 -0.509) 4.060 1.413 ( 9.770 5.641 -3.852) 11.921 1.934 ( 1.510 0.872 -0.202) 1.756 2.318 ( 9.302 5.371 -0.173) 10.743 2.600 ( -2.145 -1.238 -0.909) 2.638 3.789 ( 14.423 8.327 1.414) 16.715 5.097 ( 0.896 0.517 -0.604) 1.198 5.366 ( 0.010 0.006 0.430) 0.430 5.515 ( 2.229 1.287 0.685) 2.663 5.981 ( -2.142 -1.237 0.184) 2.480 6.108 ( -14.483 -8.362 -3.712) 17.130 7.505 ( -1.824 -1.053 0.420) 2.148 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 2.077 1.199 -1.114) 2.644 1.623 ( 10.364 5.983 -7.207) 13.970 1.950 ( 0.231 0.133 -0.956) 0.992 2.482 ( 5.198 3.001 0.029) 6.002 2.509 ( -5.789 -3.342 1.301) 6.810 4.032 ( 7.219 4.168 1.481) 8.467 5.107 ( 0.424 0.245 -1.078) 1.184 5.404 ( 3.069 1.772 0.617) 3.597 5.567 ( 1.747 1.008 1.158) 2.325 5.758 ( -12.131 -7.004 1.387) 14.076 6.020 ( 1.880 1.085 -3.937) 4.495 7.471 ( -1.279 -0.738 1.895) 2.403 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.980 0.566 -1.130) 1.599 1.809 ( 7.809 4.509 -9.552) 13.136 1.944 ( -0.182 -0.105 -1.212) 1.230 2.379 ( -5.493 -3.172 3.168) 7.090 2.540 ( -0.180 -0.104 0.058) 0.216 4.125 ( 0.665 0.384 1.843) 1.997 5.114 ( 0.512 0.296 -1.195) 1.333 5.482 ( 2.081 1.202 -2.421) 3.411 5.568 ( -3.800 -2.194 3.926) 5.888 5.586 ( -0.487 -0.281 1.277) 1.396 6.060 ( 2.244 1.295 -2.403) 3.534 7.473 ( 1.157 0.668 2.282) 2.644 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.094 -0.054 -0.690) 0.699 1.860 ( -0.778 -0.449 -6.021) 6.088 1.939 ( -1.388 -0.801 -0.767) 1.777 2.344 ( 2.708 1.563 0.898) 3.253 2.474 ( -5.665 -3.271 -0.052) 6.542 4.061 ( -7.331 -4.232 1.901) 8.675 5.122 ( 0.454 0.262 -0.969) 1.102 5.441 ( -1.799 -1.039 0.923) 2.273 5.553 ( -2.608 -1.506 1.064) 3.194 5.639 ( 5.585 3.224 -0.672) 6.484 6.106 ( 2.872 1.658 -1.965) 3.855 7.545 ( 4.678 2.701 2.525) 5.962 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.000 11.257 15.529) 19.180 0.900 ( -0.000 13.127 16.457) 21.051 1.393 ( -0.000 10.630 28.891) 30.785 1.522 ( 0.000 0.072 -8.266) 8.266 1.687 ( 0.000 13.613 -4.765) 14.423 2.880 ( 0.000 -11.552 -9.941) 15.241 4.907 ( -0.000 1.339 1.023) 1.685 5.427 ( 0.000 32.521 -15.597) 36.068 5.596 ( 0.000 -2.011 -0.803) 2.165 5.610 ( 0.000 -0.735 -1.103) 1.325 7.208 ( -0.000 -2.174 4.155) 4.689 7.813 ( 0.000 -3.197 -6.393) 7.148 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.077 14.261 10.020) 17.430 1.049 ( -2.336 9.587 17.567) 20.148 1.556 ( 5.911 2.060 -4.014) 7.436 1.650 ( 7.354 6.383 5.998) 11.437 1.933 ( 11.519 21.956 2.910) 24.965 2.747 ( -1.407 -3.062 -9.109) 9.712 4.937 ( 1.144 2.060 0.956) 2.543 5.561 ( -1.097 -2.469 -0.777) 2.812 5.583 ( -1.502 -1.685 -1.337) 2.623 5.755 ( 11.384 13.786 -11.769) 21.404 7.160 ( -2.725 -8.529 8.368) 12.255 7.720 ( -4.604 -0.344 -12.338) 13.174 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 2.427 11.696 4.359) 12.715 1.129 ( -2.453 8.077 12.350) 14.959 1.703 ( 7.833 3.918 -0.253) 8.762 1.817 ( 5.293 8.537 -1.245) 10.121 2.365 ( 13.419 12.839 -2.619) 18.755 2.792 ( 9.068 8.503 -1.945) 12.582 4.990 ( 1.958 2.914 0.897) 3.623 5.511 ( -1.999 -2.552 -0.952) 3.378 5.521 ( -2.566 -2.032 -1.159) 3.473 5.946 ( 5.958 2.159 -6.408) 9.012 6.983 ( -9.010 -13.760 9.771) 19.131 7.613 ( -3.943 1.645 -12.864) 13.555 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 1.933 6.786 4.310) 8.269 1.237 ( 1.416 9.570 2.424) 9.974 1.840 ( 4.287 2.401 1.271) 5.075 2.026 ( 7.968 12.546 -1.455) 14.934 2.548 ( 4.828 2.343 -5.393) 7.608 3.189 ( 19.008 15.661 2.215) 24.728 5.057 ( 1.796 3.624 0.763) 4.116 5.431 ( -3.177 -2.717 -0.834) 4.263 5.482 ( -0.552 -0.571 -0.595) 0.992 5.985 ( 1.488 -1.878 -4.424) 5.031 6.668 ( -14.821 -13.653 4.638) 20.678 7.545 ( -1.691 -0.533 -5.939) 6.198 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 2.011 5.641 2.881) 6.646 1.359 ( 4.041 8.609 -2.256) 9.774 1.910 ( 2.228 0.847 0.170) 2.389 2.282 ( 6.761 13.890 -0.275) 15.450 2.595 ( 1.162 -0.295 -2.441) 2.719 3.631 ( 16.188 11.753 1.456) 20.058 5.113 ( 0.088 3.858 0.293) 3.870 5.369 ( -1.179 -1.493 0.121) 1.906 5.492 ( 1.724 0.678 -0.077) 1.854 5.965 ( 0.737 -2.100 -3.570) 4.207 6.285 ( -16.888 -10.813 0.210) 20.054 7.501 ( -0.540 -3.062 -0.464) 3.144 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.408 4.440 0.257) 4.466 1.526 ( 6.903 7.940 -4.106) 11.294 1.938 ( 0.945 -0.061 -0.681) 1.166 2.481 ( 2.195 7.644 0.516) 7.970 2.575 ( -2.474 2.966 -0.801) 3.945 3.943 ( 10.032 6.459 1.434) 12.018 5.138 ( -1.437 4.047 -0.313) 4.306 5.371 ( 1.998 -0.072 0.708) 2.121 5.541 ( 2.600 0.814 0.672) 2.806 5.928 ( -14.711 -6.167 0.766) 15.970 5.966 ( 2.380 -1.635 -4.423) 5.282 7.464 ( 0.048 -3.947 1.647) 4.277 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.403 3.531 -0.537) 3.594 1.699 ( 7.321 5.966 -7.152) 11.847 1.940 ( 0.072 -0.421 -1.089) 1.170 2.437 ( -4.473 -4.242 1.888) 6.447 2.635 ( -3.639 12.038 -0.248) 12.578 4.102 ( 3.937 1.899 1.747) 4.707 5.148 ( -1.892 4.327 -0.598) 4.761 5.423 ( 3.494 -0.424 -0.420) 3.545 5.580 ( 0.867 0.048 1.623) 1.841 5.688 ( -9.075 -1.138 0.695) 9.172 6.000 ( 3.764 -1.170 -2.481) 4.658 7.446 ( 1.522 -3.092 1.992) 3.980 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.168 2.507 -0.663) 2.844 1.813 ( 3.741 1.459 -8.138) 9.074 1.934 ( 0.069 -0.349 -1.149) 1.202 2.348 ( -2.086 -1.849 3.129) 4.191 2.631 ( -9.053 9.127 -0.207) 12.857 4.119 ( -2.665 -2.245 1.788) 3.916 5.155 ( -1.975 4.189 -0.557) 4.664 5.435 ( 0.338 -2.960 -0.766) 3.076 5.596 ( -3.114 0.682 2.626) 4.131 5.617 ( 1.599 3.282 -0.338) 3.667 6.045 ( 3.949 -1.186 -2.093) 4.624 7.479 ( 4.631 -1.347 1.915) 5.189 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 13.087 8.256) 15.474 1.229 ( -0.000 10.154 11.175) 15.099 1.509 ( 0.000 5.896 -8.729) 10.534 1.674 ( -0.000 6.950 11.079) 13.078 2.079 ( -0.000 24.229 0.999) 24.249 2.705 ( 0.000 -0.136 -8.338) 8.339 4.953 ( -0.000 2.876 0.754) 2.973 5.540 ( 0.000 -3.084 -0.560) 3.135 5.573 ( 0.000 -2.193 -1.585) 2.706 5.764 ( 0.000 11.577 -7.605) 13.851 7.103 ( -0.000 -13.336 8.725) 15.936 7.728 ( 0.000 1.358 -13.361) 13.429 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -1.165 10.950 2.924) 11.394 1.296 ( -2.665 6.228 6.508) 9.394 1.639 ( 6.100 10.218 -0.843) 11.930 1.809 ( 4.820 6.992 2.614) 8.886 2.333 ( 5.438 14.653 -4.019) 16.137 2.770 ( 4.686 13.006 -1.251) 13.881 4.997 ( 1.287 3.613 0.724) 3.903 5.504 ( -0.667 -2.822 -0.513) 2.945 5.530 ( -1.598 -2.701 -1.656) 3.549 5.865 ( 4.117 3.182 -3.890) 6.497 6.955 ( -3.036 -17.547 8.836) 19.880 7.670 ( -4.105 2.578 -12.909) 13.789 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -0.053 7.503 0.369) 7.512 1.346 ( -1.227 7.684 3.175) 8.404 1.810 ( 3.554 4.809 3.057) 6.716 2.019 ( 8.833 14.056 -1.529) 16.672 2.480 ( 4.419 3.973 -5.165) 7.874 3.100 ( 12.375 20.547 2.029) 24.072 5.069 ( 2.142 4.571 0.957) 5.138 5.449 ( -2.548 -2.992 -0.930) 4.038 5.482 ( -0.702 -1.347 -1.093) 1.872 5.917 ( 2.567 -1.936 -2.662) 4.174 6.720 ( -7.365 -17.641 5.991) 20.034 7.577 ( -4.679 0.595 -8.363) 9.601 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 2.104 7.092 2.115) 7.694 1.411 ( -0.245 7.626 -0.689) 7.661 1.885 ( 1.911 1.422 1.098) 2.623 2.321 ( 7.831 17.171 0.081) 18.872 2.555 ( 3.083 1.744 -2.639) 4.417 3.510 ( 13.736 15.926 1.118) 21.061 5.152 ( 1.298 5.316 1.108) 5.583 5.378 ( -2.092 -2.215 -0.359) 3.068 5.472 ( 0.772 0.003 -1.050) 1.303 5.911 ( 1.225 -3.056 -2.820) 4.335 6.418 ( -11.656 -13.764 2.049) 18.152 7.486 ( -2.621 -3.110 -2.824) 4.951 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.469 5.672 2.280) 6.131 1.510 ( 3.809 8.312 -2.476) 9.473 1.918 ( 1.121 0.151 -0.066) 1.134 2.504 ( 0.719 1.020 0.372) 1.302 2.670 ( 2.747 16.633 -0.863) 16.881 3.841 ( 10.820 8.953 0.960) 14.077 5.210 ( -0.966 5.347 0.830) 5.497 5.347 ( 0.304 -0.921 0.341) 1.028 5.502 ( 2.631 0.437 -0.656) 2.747 5.897 ( 1.630 -2.573 -3.322) 4.507 6.104 ( -13.057 -7.680 0.440) 15.155 7.417 ( -0.197 -5.512 0.404) 5.530 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.459 5.305 0.784) 5.557 1.647 ( 4.528 6.573 -3.532) 8.728 1.929 ( 0.439 -0.356 -0.645) 0.857 2.460 ( -2.716 -4.124 0.864) 5.013 2.855 ( -3.137 19.806 -0.305) 20.055 4.043 ( 6.295 2.753 1.391) 7.010 5.234 ( -2.217 5.117 0.566) 5.605 5.367 ( 2.365 -0.673 0.226) 2.469 5.551 ( 2.946 0.037 -0.180) 2.952 5.832 ( -8.478 -2.375 -2.004) 9.029 5.930 ( 0.538 -1.292 -0.284) 1.428 7.378 ( 1.798 -5.586 1.308) 6.012 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -2.429 4.565 0.310) 5.181 1.751 ( 3.431 3.077 -5.484) 7.163 1.927 ( 0.109 -0.262 -0.845) 0.892 2.374 ( -2.771 -3.343 2.352) 4.938 2.924 ( -10.026 17.192 -0.261) 19.903 4.117 ( 1.385 -1.673 1.564) 2.676 5.242 ( -2.522 4.524 0.702) 5.227 5.389 ( 1.446 -2.065 -0.447) 2.560 5.602 ( 2.956 1.001 -1.194) 3.341 5.700 ( -6.546 2.464 1.139) 7.086 5.954 ( 3.651 -2.054 -1.402) 4.418 7.382 ( 4.116 -4.280 1.153) 6.049 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.000 9.373 0.080) 9.374 1.340 ( 0.000 1.008 -1.613) 1.902 1.722 ( -0.000 16.030 0.564) 16.040 1.828 ( -0.000 4.184 3.680) 5.572 2.392 ( 0.000 8.269 -5.670) 10.026 2.907 ( -0.000 23.099 2.204) 23.204 5.021 ( -0.000 3.615 0.171) 3.619 5.483 ( 0.000 -2.274 -0.043) 2.274 5.510 ( 0.000 -3.049 -2.059) 3.679 5.850 ( 0.000 1.246 -0.497) 1.341 6.820 ( -0.000 -19.921 7.160) 21.169 7.694 ( 0.000 2.133 -11.611) 11.805 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.547 3.637 -2.854) 4.655 1.405 ( 1.269 5.503 -2.376) 6.127 1.844 ( -0.144 5.297 2.982) 6.080 1.987 ( 9.343 13.516 -0.591) 16.442 2.456 ( 1.875 4.482 -2.641) 5.530 3.192 ( 4.376 25.158 2.049) 25.618 5.074 ( 2.174 3.657 0.113) 4.256 5.454 ( -1.579 -2.341 -0.981) 2.989 5.473 ( -0.206 -1.374 -1.063) 1.749 5.864 ( 1.226 -1.505 0.913) 2.145 6.627 ( -2.067 -20.056 5.014) 20.776 7.639 ( -4.242 0.514 -8.774) 9.759 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.643 4.892 -0.695) 5.604 1.466 ( 0.971 5.211 -2.891) 6.038 1.885 ( 0.551 1.834 1.388) 2.365 2.318 ( 11.610 15.547 0.273) 19.406 2.521 ( 2.739 2.754 -0.619) 3.934 3.515 ( 6.767 20.327 0.772) 21.438 5.162 ( 3.490 4.156 0.463) 5.446 5.393 ( -2.242 -2.067 -1.096) 3.240 5.465 ( -0.166 0.528 -0.817) 0.987 5.862 ( 0.725 -2.507 0.459) 2.650 6.404 ( -4.194 -17.247 2.585) 17.937 7.523 ( -5.787 -1.998 -4.999) 7.904 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 2.975 4.632 1.927) 5.833 1.531 ( 1.818 6.468 -3.001) 7.358 1.908 ( 0.535 0.590 0.463) 0.921 2.494 ( 0.575 -0.337 0.830) 1.065 2.737 ( 10.493 17.859 -0.200) 20.715 3.791 ( 6.779 12.368 0.244) 14.106 5.254 ( 1.923 4.073 0.771) 4.570 5.346 ( -1.062 -0.777 -0.315) 1.353 5.472 ( 0.659 0.778 -1.168) 1.550 5.850 ( 0.642 -1.842 -0.660) 2.059 6.181 ( -6.248 -11.377 0.843) 13.007 7.397 ( -3.977 -4.365 -1.648) 6.130 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.054 4.708 0.795) 4.775 1.637 ( 3.382 5.808 -1.340) 6.853 1.919 ( 0.327 -0.008 -0.090) 0.340 2.460 ( -1.792 -3.634 0.517) 4.084 3.060 ( 4.278 21.166 0.053) 21.594 3.971 ( 5.338 3.635 0.544) 6.481 5.303 ( -0.246 3.363 0.852) 3.478 5.340 ( 0.236 -0.084 0.144) 0.289 5.493 ( 2.297 -0.932 -1.241) 2.772 5.846 ( 0.525 -0.652 -1.262) 1.515 6.000 ( -6.513 -3.686 0.382) 7.494 7.309 ( -0.490 -5.360 0.179) 5.386 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -1.725 5.063 0.721) 5.397 1.723 ( 2.267 2.886 -2.281) 4.321 1.921 ( 0.153 -0.093 -0.413) 0.450 2.387 ( -2.297 -3.772 1.078) 4.546 3.254 ( -6.043 20.818 -0.046) 21.678 4.050 ( 3.981 -3.154 0.998) 5.176 5.315 ( -1.949 2.107 1.093) 3.071 5.353 ( 1.323 -0.084 0.066) 1.327 5.524 ( 4.267 -2.433 -2.019) 5.311 5.833 ( -3.413 2.750 0.498) 4.411 5.911 ( -1.728 -0.324 -0.665) 1.880 7.279 ( 2.643 -4.834 0.495) 5.532 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 0.000 0.966 -3.345) 3.482 1.427 ( 0.000 4.930 -7.262) 8.777 1.888 ( -0.000 1.640 0.250) 1.659 2.037 ( -0.000 15.213 1.323) 15.271 2.481 ( -0.000 3.741 1.061) 3.889 3.412 ( -0.000 25.006 1.181) 25.034 5.078 ( 0.000 1.998 -0.504) 2.060 5.441 ( 0.000 -2.380 -2.424) 3.397 5.470 ( -0.000 1.038 0.521) 1.161 5.849 ( -0.000 -1.502 3.571) 3.874 6.458 ( -0.000 -20.110 2.827) 20.308 7.652 ( 0.000 -0.646 -7.439) 7.467 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 2.793 2.252 -1.843) 4.034 1.464 ( 2.108 3.806 -6.916) 8.171 1.901 ( -0.076 1.322 0.635) 1.468 2.268 ( 9.749 13.742 0.513) 16.857 2.519 ( 0.557 1.675 2.541) 3.093 3.653 ( 1.761 20.833 0.026) 20.908 5.124 ( 3.763 1.495 -0.427) 4.072 5.403 ( -1.439 -1.379 -1.994) 2.820 5.485 ( -0.505 2.522 0.212) 2.581 5.846 ( -0.170 -1.505 4.132) 4.400 6.272 ( -0.612 -17.934 0.794) 17.962 7.581 ( -4.459 -1.973 -5.297) 7.199 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 4.964 2.889 0.468) 5.762 1.532 ( 3.212 4.713 -4.084) 7.015 1.912 ( -0.008 0.661 0.549) 0.859 2.491 ( 0.586 0.612 1.793) 1.983 2.658 ( 14.695 11.719 0.368) 18.800 3.856 ( 1.838 14.421 -0.537) 14.548 5.220 ( 5.339 1.821 -0.297) 5.649 5.362 ( -1.690 -0.295 -1.137) 2.058 5.497 ( -1.362 2.786 -0.210) 3.109 5.838 ( -0.405 -1.123 2.999) 3.228 6.109 ( -0.532 -13.605 -0.161) 13.616 7.450 ( -6.475 -2.808 -2.982) 7.662 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 3.838 2.573 -0.054) 4.621 1.633 ( 3.290 5.231 -0.471) 6.198 1.917 ( 0.002 0.170 0.232) 0.287 2.459 ( -1.886 -3.205 0.705) 3.785 3.060 ( 16.281 14.271 0.110) 21.651 3.975 ( 0.108 6.700 -0.443) 6.715 5.308 ( 2.759 1.719 -0.296) 3.264 5.341 ( -0.340 0.098 -0.280) 0.451 5.488 ( -2.025 1.225 -0.106) 2.369 5.837 ( 0.358 0.089 0.900) 0.973 6.001 ( -0.138 -7.439 0.096) 7.441 7.315 ( -5.098 -2.958 -1.040) 5.986 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.099 3.636 -0.000) 4.199 1.712 ( 1.377 2.385 -0.000) 2.754 1.918 ( 0.024 0.041 -0.000) 0.047 2.389 ( -2.163 -3.746 -0.000) 4.325 3.434 ( 9.503 16.459 -0.000) 19.006 3.980 ( -1.518 -2.628 -0.000) 3.035 5.332 ( -0.383 -0.663 -0.000) 0.766 5.364 ( 1.746 3.024 -0.000) 3.492 5.453 ( -1.281 -2.219 -0.000) 2.562 5.855 ( 0.690 1.194 -0.000) 1.379 5.955 ( -0.826 -1.432 -0.000) 1.653 7.230 ( -1.514 -2.622 -0.000) 3.028 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 1.481 -1.793) 2.325 1.456 ( 0.000 3.825 -6.657) 7.678 1.915 ( -0.000 0.920 0.755) 1.190 2.305 ( -0.000 11.617 0.643) 11.635 2.534 ( -0.000 -0.275 3.626) 3.636 3.826 ( -0.000 17.342 -0.936) 17.368 5.092 ( 0.000 0.075 -0.310) 0.319 5.402 ( 0.000 -0.129 -1.938) 1.942 5.522 ( -0.000 3.556 0.239) 3.564 5.852 ( -0.000 -1.445 6.306) 6.469 6.111 ( 0.000 -15.055 -1.923) 15.177 7.584 ( 0.000 -2.513 -4.423) 5.087 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 4.310 1.645 -0.522) 4.643 1.510 ( 2.991 5.091 -2.612) 6.456 1.922 ( -0.210 0.452 0.878) 1.010 2.479 ( 5.128 5.464 0.745) 7.531 2.546 ( 5.072 1.469 2.144) 5.699 3.970 ( 0.292 12.323 -1.395) 12.405 5.136 ( 4.938 0.314 -0.146) 4.950 5.389 ( -1.422 0.926 -1.148) 2.049 5.549 ( -0.937 3.355 -0.189) 3.488 5.841 ( -0.221 -4.579 5.813) 7.403 5.989 ( -0.142 -7.914 -2.812) 8.400 7.510 ( -4.260 -2.434 -3.126) 5.817 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 5.488 1.195 -0.655) 5.655 1.624 ( 3.838 5.661 1.456) 6.993 1.922 ( -0.299 0.087 0.664) 0.734 2.461 ( -1.912 -3.643 0.467) 4.141 2.852 ( 18.876 7.225 0.265) 20.213 4.056 ( -1.006 7.003 -1.316) 7.196 5.239 ( 5.952 0.656 -0.614) 6.019 5.369 ( -1.856 1.258 -0.193) 2.250 5.551 ( -2.214 2.585 -0.024) 3.404 5.811 ( 2.122 -5.828 2.543) 6.703 5.931 ( -0.816 -2.149 -0.669) 2.394 7.392 ( -6.286 -1.417 -1.730) 6.672 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -0.000 1.604 0.114) 1.608 1.538 ( -0.000 6.785 1.590) 6.969 1.930 ( -0.000 0.059 1.123) 1.125 2.481 ( -0.000 6.219 0.151) 6.221 2.505 ( -0.000 -4.248 1.606) 4.542 4.064 ( 0.000 8.483 -1.789) 8.670 5.092 ( -0.000 0.030 0.537) 0.538 5.414 ( 0.000 1.927 -0.341) 1.957 5.584 ( 0.000 2.462 -0.627) 2.541 5.767 ( 0.000 -10.303 0.764) 10.331 5.972 ( -0.000 1.627 0.690) 1.767 7.516 ( 0.000 -1.901 -2.714) 3.314 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 3.775 1.120 0.224) 3.944 1.643 ( 2.259 7.414 5.302) 9.391 1.930 ( -0.272 -0.172 1.059) 1.107 2.448 ( -1.244 -4.819 -0.605) 5.014 2.632 ( 12.115 2.989 0.240) 12.481 4.118 ( -0.402 4.386 -1.741) 4.736 5.143 ( 5.229 0.426 0.411) 5.262 5.417 ( -1.903 1.809 0.704) 2.718 5.592 ( -0.648 1.346 -1.128) 1.872 5.696 ( 2.482 -7.452 -1.119) 7.934 5.979 ( -2.470 2.577 1.927) 4.056 7.464 ( -3.736 -0.409 -2.035) 4.274 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.000 1.131 1.123) 1.594 1.725 ( -0.000 8.156 8.898) 12.070 1.934 ( -0.000 -0.237 1.185) 1.208 2.404 ( 0.000 -5.330 -2.259) 5.789 2.540 ( 0.000 -0.203 -0.053) 0.210 4.142 ( 0.000 0.795 -1.807) 1.974 5.103 ( -0.000 0.569 1.149) 1.282 5.459 ( -0.000 1.247 2.411) 2.714 5.597 ( 0.000 -0.541 -1.229) 1.343 5.606 ( 0.000 -3.469 -4.334) 5.551 6.037 ( -0.000 2.819 2.609) 3.842 7.493 ( 0.000 1.326 -2.126) 2.505 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.000 0.000 18.947) 18.947 0.755 ( -0.000 0.000 18.947) 18.947 1.379 ( -0.000 0.000 36.304) 36.304 1.520 ( 0.000 -0.000 -7.706) 7.706 1.520 ( 0.000 -0.000 -7.706) 7.706 3.034 ( 0.000 -0.000 -20.237) 20.237 4.899 ( -0.000 0.000 1.087) 1.087 4.899 ( -0.000 0.000 1.087) 1.087 5.613 ( 0.000 -0.000 -0.853) 0.853 5.613 ( 0.000 -0.000 -0.853) 0.853 7.217 ( -0.000 0.000 2.502) 2.502 7.865 ( 0.000 -0.000 -0.920) 0.920 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 2.327 1.343 17.359) 17.565 0.981 ( 6.018 3.474 19.677) 20.868 1.522 ( 4.302 2.484 -3.521) 6.089 1.565 ( 4.034 2.329 -6.870) 8.300 1.642 ( 14.712 8.494 20.935) 26.961 2.807 ( -8.470 -4.890 -13.751) 16.875 4.915 ( 1.092 0.630 0.965) 1.588 5.364 ( 28.684 16.561 -11.610) 35.098 5.593 ( -1.557 -0.899 -0.803) 1.969 5.601 ( -1.025 -0.592 -0.996) 1.547 7.237 ( 0.374 0.216 3.648) 3.673 7.764 ( -7.644 -4.413 -4.326) 9.829 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 6.751 3.898 12.289) 14.553 1.095 ( 0.222 0.128 16.537) 16.539 1.648 ( 7.105 4.102 -1.748) 8.389 1.665 ( 6.838 3.948 -5.433) 9.585 2.110 ( 20.796 12.006 7.024) 25.019 2.695 ( 2.333 1.347 -8.831) 9.232 4.953 ( 2.104 1.215 0.774) 2.549 5.546 ( -2.326 -1.343 -0.702) 2.776 5.556 ( -2.746 -1.585 -1.219) 3.396 5.815 ( 14.051 8.112 -9.279) 18.690 7.200 ( -7.680 -4.434 10.514) 13.754 7.572 ( -4.825 -2.786 -12.845) 14.001 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 6.308 3.642 6.758) 9.936 1.144 ( 1.652 0.954 9.176) 9.373 1.792 ( 5.418 3.128 0.702) 6.295 1.841 ( 10.108 5.836 -3.205) 12.104 2.456 ( 8.985 5.188 -5.184) 11.598 2.930 ( 19.416 11.210 0.908) 22.439 5.010 ( 2.687 1.551 0.614) 3.163 5.477 ( -3.763 -2.172 -0.777) 4.414 5.496 ( -1.656 -0.956 -0.573) 1.996 5.970 ( 3.232 1.866 -5.825) 6.918 6.923 ( -17.948 -10.362 5.922) 21.554 7.518 ( 1.187 0.685 -6.984) 7.117 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 5.281 3.049 4.093) 7.344 1.242 ( 4.318 2.493 2.642) 5.642 1.885 ( 2.946 1.701 0.210) 3.409 2.080 ( 11.411 6.588 -1.320) 13.242 2.569 ( 3.458 1.996 -4.198) 5.793 3.405 ( 20.520 11.847 1.601) 23.749 5.066 ( 1.926 1.112 0.290) 2.243 5.400 ( -2.678 -1.546 0.226) 3.101 5.481 ( 0.607 0.351 -0.221) 0.735 5.976 ( -0.279 -0.161 -4.734) 4.745 6.504 ( -19.621 -11.328 0.517) 22.663 7.528 ( 0.166 0.096 -0.056) 0.199 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 2.837 1.638 0.397) 3.300 1.394 ( 7.624 4.401 -0.198) 8.805 1.930 ( 1.247 0.720 -0.685) 1.594 2.315 ( 9.520 5.496 -0.421) 11.001 2.587 ( -1.111 -0.642 -2.040) 2.410 3.803 ( 14.391 8.309 1.509) 16.686 5.092 ( 0.594 0.343 -0.337) 0.764 5.373 ( 0.195 0.112 1.092) 1.115 5.520 ( 2.531 1.461 0.433) 2.955 5.962 ( 0.687 0.397 -4.390) 4.461 6.089 ( -17.033 -9.834 -0.356) 19.671 7.518 ( -1.363 -0.787 2.399) 2.869 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 1.819 1.050 -0.680) 2.208 1.568 ( 8.440 4.873 -4.860) 10.890 1.941 ( 0.102 0.059 -1.174) 1.180 2.482 ( 5.274 3.045 -0.070) 6.091 2.514 ( -4.737 -2.735 -0.237) 5.475 4.047 ( 7.293 4.210 1.798) 8.611 5.098 ( 0.251 0.145 -0.883) 0.930 5.410 ( 2.520 1.455 0.518) 2.955 5.576 ( 1.914 1.105 0.977) 2.416 5.767 ( -11.408 -6.587 0.610) 13.187 5.989 ( 2.385 1.377 -2.802) 3.929 7.492 ( -1.306 -0.754 2.552) 2.964 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 7.966 16.809) 18.601 1.044 ( -0.000 11.589 15.297) 19.191 1.439 ( 0.000 -0.419 -10.169) 10.178 1.578 ( -0.000 6.512 1.242) 6.629 1.709 ( -0.000 13.547 20.142) 24.274 2.764 ( 0.000 -8.829 -15.650) 17.969 4.916 ( -0.000 1.270 0.926) 1.572 5.319 ( 0.000 29.902 -8.852) 31.184 5.589 ( 0.000 -1.953 -0.690) 2.071 5.600 ( 0.000 -0.938 -1.008) 1.377 7.243 ( -0.000 -0.065 3.486) 3.487 7.765 ( 0.000 -7.588 -4.328) 8.736 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -1.018 10.130 12.125) 15.833 1.197 ( -1.587 6.519 14.878) 16.320 1.495 ( 8.938 3.072 -7.779) 12.241 1.672 ( 2.279 8.541 -2.191) 9.107 2.003 ( 10.917 16.183 12.132) 22.983 2.652 ( 0.083 -0.610 -11.657) 11.674 4.945 ( 1.142 2.033 0.774) 2.457 5.555 ( -1.080 -2.298 -0.751) 2.648 5.571 ( -1.485 -1.881 -1.123) 2.646 5.666 ( 11.724 16.158 -7.807) 21.436 7.236 ( -0.961 -6.088 8.255) 10.303 7.617 ( -6.341 -3.928 -10.612) 12.971 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.479 7.616 6.292) 9.990 1.232 ( -3.289 5.379 9.787) 11.642 1.699 ( 9.512 6.222 -0.064) 11.367 1.798 ( 4.174 8.710 -2.921) 10.091 2.344 ( 9.952 8.649 -2.149) 13.359 2.775 ( 12.338 12.319 -1.723) 17.521 4.997 ( 1.923 3.002 0.719) 3.637 5.504 ( -2.299 -2.688 -0.614) 3.590 5.512 ( -2.106 -1.957 -0.892) 3.010 5.894 ( 6.204 3.759 -5.096) 8.865 7.066 ( -10.592 -15.222 8.156) 20.259 7.508 ( -1.621 2.999 -9.822) 10.396 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 2.554 5.751 2.895) 6.927 1.282 ( -0.944 6.592 6.258) 9.138 1.851 ( 3.531 2.524 1.198) 4.502 2.010 ( 8.654 13.425 -2.019) 16.099 2.502 ( 5.408 3.137 -4.558) 7.737 3.204 ( 19.026 15.625 1.205) 24.649 5.064 ( 1.614 3.781 0.706) 4.171 5.427 ( -2.864 -2.674 0.013) 3.918 5.477 ( -0.343 -0.675 -0.641) 0.992 5.945 ( 1.367 -1.148 -4.361) 4.713 6.697 ( -16.784 -14.187 1.579) 22.033 7.511 ( 0.914 -0.074 -1.472) 1.734 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.382 6.041 0.839) 6.111 1.358 ( 3.550 6.147 3.629) 7.972 1.909 ( 1.758 0.822 -0.231) 1.955 2.278 ( 6.931 14.426 -0.522) 16.013 2.571 ( 1.827 0.484 -2.844) 3.415 3.643 ( 16.273 11.622 1.129) 20.029 5.116 ( -0.330 4.012 0.400) 4.045 5.374 ( -0.840 -1.540 0.946) 1.993 5.490 ( 2.155 0.610 -0.228) 2.251 5.928 ( 0.745 -1.698 -4.521) 4.886 6.284 ( -17.512 -10.704 -0.377) 20.528 7.509 ( 0.562 -3.271 2.140) 3.950 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.447 4.627 0.579) 4.684 1.503 ( 5.120 6.792 -0.994) 8.564 1.931 ( 0.681 -0.019 -0.909) 1.136 2.483 ( 2.311 8.126 -0.051) 8.448 2.564 ( -1.890 3.351 -1.661) 4.190 3.956 ( 10.231 6.419 1.558) 12.178 5.136 ( -1.862 4.284 -0.102) 4.672 5.379 ( 1.893 -0.367 1.013) 2.178 5.546 ( 3.044 0.792 0.451) 3.178 5.895 ( -6.315 -4.183 -5.963) 9.640 5.965 ( -5.339 -3.070 2.330) 6.585 7.484 ( 0.257 -4.341 2.646) 5.091 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -0.000 8.676 9.516) 12.877 1.309 ( -0.000 3.431 4.300) 5.502 1.440 ( 0.000 11.354 -4.339) 12.155 1.728 ( -0.000 7.618 0.414) 7.630 2.117 ( -0.000 17.373 7.499) 18.922 2.627 ( 0.000 4.824 -8.770) 10.009 4.959 ( -0.000 2.723 0.529) 2.774 5.536 ( 0.000 -2.959 -0.326) 2.976 5.559 ( 0.000 -2.384 -1.454) 2.792 5.711 ( 0.000 14.246 -4.019) 14.803 7.184 ( -0.000 -12.398 9.302) 15.499 7.611 ( 0.000 -0.432 -12.630) 12.637 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -1.903 6.627 2.276) 7.261 1.330 ( 0.050 2.774 0.969) 2.939 1.646 ( 7.241 13.382 2.754) 15.463 1.814 ( 2.376 6.679 -1.775) 7.308 2.309 ( 4.369 10.013 -1.177) 10.988 2.761 ( 5.744 17.768 -0.730) 18.688 5.002 ( 1.458 3.490 0.394) 3.803 5.501 ( -0.812 -2.705 -0.178) 2.829 5.516 ( -1.410 -2.934 -1.415) 3.550 5.840 ( 3.560 5.147 -1.534) 6.444 7.034 ( -3.295 -19.102 8.484) 21.159 7.559 ( -3.215 3.908 -11.454) 12.522 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.003 6.002 -0.204) 6.089 1.372 ( -0.227 4.644 2.180) 5.135 1.837 ( 2.406 4.169 2.792) 5.565 2.001 ( 9.427 15.595 -2.064) 18.339 2.444 ( 4.302 4.964 -2.673) 7.092 3.114 ( 12.207 20.684 1.027) 24.040 5.076 ( 2.353 4.564 0.519) 5.161 5.443 ( -2.399 -3.155 -0.432) 3.987 5.473 ( -0.630 -1.379 -0.716) 1.677 5.898 ( 1.548 -0.764 -1.407) 2.227 6.765 ( -8.853 -18.606 3.697) 20.934 7.515 ( -2.284 1.343 -5.014) 5.671 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 3.144 7.297 0.438) 7.958 1.420 ( -0.373 4.931 2.203) 5.414 1.893 ( 1.313 1.273 0.479) 1.891 2.321 ( 8.018 17.938 -0.129) 19.649 2.534 ( 3.027 2.720 -1.872) 4.480 3.517 ( 13.744 15.721 0.535) 20.889 5.160 ( 1.326 5.401 0.678) 5.602 5.378 ( -1.671 -2.381 0.329) 2.928 5.464 ( 0.881 -0.174 -0.655) 1.111 5.888 ( 0.288 -2.217 -2.288) 3.199 6.428 ( -12.749 -13.733 0.261) 18.740 7.473 ( -0.718 -3.470 0.066) 3.544 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.828 5.622 0.327) 5.692 1.504 ( 3.475 7.039 1.553) 8.002 1.916 ( 0.761 0.227 -0.355) 0.870 2.502 ( 0.585 0.967 -0.748) 1.355 2.663 ( 2.855 17.730 -0.683) 17.972 3.850 ( 11.151 8.827 0.828) 14.245 5.216 ( -1.168 5.521 0.600) 5.675 5.353 ( 0.502 -1.212 0.852) 1.564 5.497 ( 3.023 0.162 -0.311) 3.043 5.867 ( 0.594 -1.835 -3.351) 3.867 6.107 ( -12.617 -7.416 0.212) 14.636 7.427 ( 0.567 -6.151 1.898) 6.462 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 0.854 -5.502) 5.568 1.310 ( 0.000 5.274 -1.391) 5.455 1.740 ( -0.000 15.876 3.042) 16.165 1.839 ( 0.000 3.885 -1.051) 4.025 2.363 ( -0.000 8.288 -0.649) 8.314 2.923 ( -0.000 24.438 1.453) 24.481 5.022 ( -0.000 3.362 -0.109) 3.364 5.484 ( 0.000 -2.066 0.218) 2.078 5.492 ( 0.000 -3.342 -1.791) 3.791 5.856 ( -0.000 2.764 1.768) 3.281 6.884 ( -0.000 -21.754 6.717) 22.767 7.594 ( 0.000 3.811 -10.289) 10.973 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.427 3.721 -3.944) 5.439 1.378 ( 2.807 2.970 -3.792) 5.576 1.862 ( 0.228 3.466 0.930) 3.596 1.983 ( 8.760 15.089 0.125) 17.448 2.448 ( 1.428 6.075 0.793) 6.291 3.206 ( 4.174 24.763 1.003) 25.132 5.073 ( 2.430 3.444 -0.240) 4.222 5.442 ( -1.411 -3.102 -1.430) 3.696 5.469 ( -0.321 -0.726 0.051) 0.795 5.879 ( 0.263 -0.399 2.522) 2.567 6.669 ( -2.392 -21.673 4.047) 22.177 7.567 ( -3.259 1.802 -6.930) 7.867 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 3.868 5.750 -0.833) 6.980 1.442 ( 2.427 3.175 -2.536) 4.733 1.893 ( 0.482 1.537 0.377) 1.654 2.319 ( 11.783 16.019 0.147) 19.886 2.522 ( 1.846 3.704 0.813) 4.217 3.519 ( 6.685 19.932 0.118) 21.024 5.164 ( 3.848 3.981 -0.132) 5.538 5.384 ( -1.731 -2.337 -0.836) 3.026 5.461 ( -0.492 0.621 -0.032) 0.793 5.871 ( -0.669 -1.564 1.481) 2.255 6.423 ( -4.780 -18.014 1.423) 18.692 7.487 ( -4.258 -1.711 -2.899) 5.428 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 1.942 3.364 -0.000) 3.885 1.510 ( 4.049 7.014 0.000) 8.099 1.911 ( 0.338 0.585 -0.000) 0.676 2.498 ( 0.056 0.096 -0.000) 0.111 2.737 ( 10.472 18.137 -0.000) 20.943 3.792 ( 7.013 12.147 -0.000) 14.026 5.258 ( 2.246 3.891 -0.000) 4.492 5.345 ( -0.575 -0.997 -0.000) 1.151 5.467 ( 0.444 0.770 -0.000) 0.889 5.847 ( -0.606 -1.049 -0.000) 1.211 6.185 ( -6.567 -11.375 -0.000) 13.134 7.389 ( -2.754 -4.770 -0.000) 5.508 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 1.911 -3.865) 4.312 1.358 ( 0.000 3.740 -7.782) 8.634 1.888 ( -0.000 2.136 -0.184) 2.144 2.051 ( -0.000 14.644 1.649) 14.736 2.500 ( -0.000 4.901 3.003) 5.748 3.418 ( -0.000 24.275 0.202) 24.275 5.073 ( 0.000 1.925 -0.528) 1.996 5.421 ( 0.000 -2.508 -1.986) 3.199 5.474 ( -0.000 1.067 0.510) 1.183 5.886 ( -0.000 -0.641 4.706) 4.750 6.482 ( 0.000 -21.995 2.468) 22.134 7.590 ( 0.000 0.614 -6.189) 6.220 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 3.770 3.309 -1.246) 5.169 1.405 ( 3.217 3.911 -6.102) 7.929 1.906 ( -0.032 1.532 0.442) 1.595 2.273 ( 9.410 13.568 0.592) 16.523 2.544 ( -0.017 2.146 2.951) 3.649 3.651 ( 1.813 20.239 -0.619) 20.330 5.120 ( 3.802 1.536 -0.454) 4.126 5.386 ( -1.149 -1.368 -1.635) 2.422 5.488 ( -0.652 2.423 0.292) 2.526 5.886 ( -1.092 -0.658 4.701) 4.871 6.279 ( -0.438 -19.662 0.734) 19.681 7.538 ( -3.857 -1.178 -4.161) 5.794 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 2.367 -1.220) 2.663 1.409 ( 0.000 6.101 -3.569) 7.068 1.922 ( -0.000 1.166 0.865) 1.452 2.311 ( -0.000 11.302 0.587) 11.317 2.564 ( -0.000 -0.525 2.995) 3.041 3.816 ( -0.000 16.863 -1.352) 16.917 5.091 ( -0.000 0.348 0.014) 0.348 5.385 ( 0.000 0.185 -1.613) 1.624 5.523 ( -0.000 3.269 -0.108) 3.271 5.911 ( -0.000 -0.305 6.438) 6.445 6.096 ( 0.000 -17.589 -1.452) 17.649 7.546 ( 0.000 -1.745 -3.779) 4.162 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.000 0.000 17.178) 17.178 0.918 ( -0.000 0.000 17.178) 17.178 1.443 ( 0.000 -0.000 -9.496) 9.496 1.443 ( 0.000 -0.000 -9.496) 9.496 1.697 ( -0.000 0.000 34.267) 34.267 2.835 ( 0.000 -0.000 -23.677) 23.677 4.908 ( -0.000 0.000 0.890) 0.890 4.908 ( -0.000 0.000 0.890) 0.890 5.606 ( 0.000 -0.000 -0.701) 0.701 5.606 ( 0.000 -0.000 -0.701) 0.701 7.237 ( -0.000 0.000 2.026) 2.026 7.857 ( 0.000 -0.000 -0.778) 0.778 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.208 0.697 16.810) 16.868 1.148 ( 7.014 4.049 17.309) 19.110 1.439 ( 5.737 3.312 -11.566) 13.329 1.494 ( 4.721 2.726 -8.706) 10.272 1.871 ( 7.659 4.422 26.210) 27.661 2.661 ( -5.431 -3.136 -18.201) 19.251 4.922 ( 1.047 0.604 0.694) 1.394 5.285 ( 25.710 14.844 -6.270) 30.342 5.587 ( -1.545 -0.892 -0.623) 1.890 5.593 ( -1.105 -0.638 -0.701) 1.456 7.265 ( 1.817 1.049 2.588) 3.332 7.733 ( -10.121 -5.843 -2.575) 11.966 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 4.482 2.588 13.172) 14.152 1.225 ( -1.855 -1.071 11.191) 11.394 1.609 ( 7.940 4.584 -6.911) 11.481 1.627 ( 10.050 5.802 -1.742) 11.735 2.179 ( 13.422 7.749 7.499) 17.217 2.612 ( 6.640 3.833 -9.031) 11.846 4.959 ( 2.085 1.204 0.543) 2.468 5.540 ( -2.318 -1.339 -0.562) 2.735 5.547 ( -2.660 -1.536 -0.708) 3.152 5.744 ( 14.980 8.648 -6.255) 18.393 7.297 ( -5.709 -3.296 10.838) 12.686 7.462 ( -6.907 -3.988 -11.548) 14.034 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.077 2.354 7.796) 9.108 1.225 ( 0.163 0.094 8.170) 8.173 1.800 ( 5.404 3.120 1.426) 6.401 1.809 ( 11.269 6.506 -3.897) 13.583 2.412 ( 7.718 4.456 -4.634) 10.045 2.935 ( 20.893 12.063 0.145) 24.126 5.015 ( 2.664 1.538 0.547) 3.124 5.474 ( -3.507 -2.025 0.097) 4.051 5.491 ( -1.614 -0.932 -0.561) 1.947 5.921 ( 3.589 2.072 -5.069) 6.547 6.954 ( -20.049 -11.576 0.691) 23.161 7.485 ( 3.760 2.171 -0.079) 4.343 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.897 1.673 3.605) 4.918 1.292 ( 3.585 2.070 6.778) 7.942 1.886 ( 2.491 1.438 0.109) 2.879 2.066 ( 12.048 6.956 -1.627) 14.007 2.532 ( 4.206 2.428 -3.926) 6.245 3.415 ( 20.621 11.906 0.760) 23.824 5.069 ( 1.739 1.004 0.450) 2.058 5.406 ( -2.383 -1.376 1.164) 2.988 5.478 ( 0.818 0.472 -0.402) 1.026 5.931 ( -0.175 -0.101 -5.098) 5.102 6.500 ( -19.931 -11.507 -1.330) 23.052 7.545 ( 0.866 0.500 3.590) 3.726 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -0.000 6.176 16.592) 17.704 1.173 ( -0.000 10.591 12.897) 16.688 1.341 ( 0.000 -1.126 -11.150) 11.207 1.519 ( 0.000 10.561 -9.692) 14.334 1.941 ( -0.000 5.519 26.278) 26.851 2.605 ( 0.000 -5.161 -19.071) 19.757 4.923 ( -0.000 1.212 0.638) 1.370 5.261 ( 0.000 27.619 -4.224) 27.940 5.584 ( 0.000 -1.889 -0.432) 1.938 5.593 ( 0.000 -1.115 -0.702) 1.317 7.269 ( -0.000 1.715 2.352) 2.910 7.734 ( 0.000 -10.855 -2.653) 11.175 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.768 6.325 11.752) 13.463 1.294 ( -1.452 1.573 3.841) 4.397 1.443 ( 11.513 7.217 -1.037) 13.628 1.625 ( 2.814 11.783 -6.900) 13.942 2.124 ( 6.149 8.437 13.049) 16.712 2.544 ( 2.422 3.664 -11.408) 12.224 4.950 ( 1.143 2.007 0.432) 2.350 5.548 ( -0.752 -1.521 -0.614) 1.804 5.563 ( -1.394 -2.088 -0.652) 2.594 5.615 ( 10.922 16.849 -3.655) 20.409 7.306 ( 1.486 -1.643 7.110) 7.447 7.531 ( -8.618 -9.385 -8.180) 15.141 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.131 3.433 5.968) 6.977 1.297 ( -1.768 3.742 4.702) 6.265 1.704 ( 9.979 10.099 0.309) 14.201 1.771 ( 4.157 7.215 -1.973) 8.557 2.325 ( 6.735 6.065 -1.946) 9.270 2.763 ( 14.464 14.965 -1.018) 20.838 5.002 ( 1.978 3.048 0.403) 3.655 5.501 ( -2.279 -2.631 0.080) 3.481 5.505 ( -1.919 -2.057 -0.601) 2.877 5.856 ( 5.629 4.911 -3.165) 8.113 7.117 ( -14.054 -16.367 2.296) 21.695 7.449 ( 2.618 3.843 -2.362) 5.215 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 2.659 3.768 3.786) 5.966 1.336 ( -0.708 4.866 5.545) 7.411 1.861 ( 2.559 2.177 0.895) 3.477 1.992 ( 9.333 14.536 -1.695) 17.357 2.467 ( 5.347 3.869 -3.165) 7.320 3.210 ( 19.162 15.745 0.110) 24.801 5.070 ( 1.603 3.850 0.526) 4.203 5.431 ( -2.478 -2.678 0.888) 3.755 5.471 ( -0.280 -0.712 -0.498) 0.913 5.908 ( 0.675 -0.481 -3.695) 3.787 6.696 ( -17.838 -13.854 -1.737) 22.653 7.520 ( 2.716 -0.639 3.319) 4.336 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 3.825 7.936) 8.810 1.271 ( 0.000 0.658 -10.188) 10.210 1.467 ( -0.000 13.343 7.677) 15.393 1.695 ( 0.000 10.920 -6.432) 12.674 2.194 ( -0.000 8.452 7.743) 11.463 2.558 ( 0.000 11.325 -5.469) 12.576 4.962 ( -0.000 2.572 0.189) 2.579 5.535 ( 0.000 -2.831 -0.018) 2.831 5.548 ( 0.000 -2.558 -0.919) 2.718 5.691 ( -0.000 15.979 -0.446) 15.985 7.271 ( -0.000 -10.936 9.881) 14.739 7.500 ( 0.000 -2.802 -11.880) 12.206 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -1.009 2.643 -1.975) 3.451 1.324 ( 2.764 2.119 -1.764) 3.904 1.682 ( 7.021 14.057 4.432) 16.326 1.784 ( 1.810 7.093 -3.877) 8.284 2.310 ( 2.788 7.679 1.190) 8.256 2.758 ( 6.156 20.383 0.084) 21.292 5.004 ( 1.585 3.354 -0.007) 3.709 5.501 ( -0.851 -2.566 0.226) 2.713 5.506 ( -1.253 -3.236 -0.842) 3.571 5.838 ( 2.616 6.581 0.890) 7.138 7.100 ( -4.703 -20.957 5.477) 22.166 7.473 ( -1.126 5.307 -7.002) 8.858 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 2.589 4.484 -0.000) 5.178 1.382 ( 1.706 2.954 -0.000) 3.411 1.852 ( 1.709 2.960 -0.000) 3.418 1.990 ( 9.885 17.122 -0.000) 19.771 2.432 ( 3.361 5.822 -0.000) 6.723 3.119 ( 12.020 20.818 -0.000) 24.039 5.078 ( 2.581 4.471 -0.000) 5.163 5.441 ( -1.982 -3.432 -0.000) 3.963 5.470 ( -0.749 -1.297 -0.000) 1.498 5.892 ( 0.144 0.249 -0.000) 0.288 6.782 ( -10.621 -18.395 -0.000) 21.241 7.492 ( 0.405 0.701 -0.000) 0.809 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.000 2.418 -7.495) 7.875 1.284 ( 0.000 1.573 -4.693) 4.950 1.773 ( -0.000 14.533 4.012) 15.077 1.819 ( 0.000 5.189 -2.617) 5.811 2.376 ( -0.000 8.326 3.066) 8.872 2.933 ( -0.000 24.797 0.655) 24.806 5.020 ( -0.000 3.168 -0.366) 3.189 5.479 ( 0.000 -3.697 -1.048) 3.843 5.487 ( -0.000 -1.919 0.435) 1.967 5.881 ( -0.000 3.786 3.664) 5.268 6.936 ( -0.000 -23.284 4.326) 23.682 7.516 ( 0.000 4.963 -6.548) 8.216 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 0.000 14.191) 14.191 1.061 ( -0.000 0.000 14.191) 14.191 1.352 ( 0.000 -0.000 -10.293) 10.293 1.352 ( 0.000 -0.000 -10.293) 10.293 1.990 ( -0.000 0.000 29.922) 29.922 2.614 ( 0.000 -0.000 -24.667) 24.667 4.914 ( -0.000 0.000 0.501) 0.501 4.914 ( -0.000 0.000 0.501) 0.501 5.601 ( 0.000 -0.000 -0.396) 0.396 5.601 ( 0.000 -0.000 -0.396) 0.396 7.252 ( -0.000 0.000 1.134) 1.134 7.851 ( 0.000 -0.000 -0.450) 0.450 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.903 0.521 15.455) 15.490 1.288 ( 3.166 1.828 10.481) 11.101 1.329 ( 10.628 6.136 -9.381) 15.447 1.408 ( 5.323 3.073 -10.372) 12.056 2.090 ( 2.443 1.410 20.598) 20.790 2.493 ( -1.937 -1.118 -17.496) 17.638 4.927 ( 1.021 0.589 0.272) 1.210 5.247 ( 23.720 13.695 -2.432) 27.497 5.582 ( -1.555 -0.898 -0.307) 1.821 5.588 ( -1.121 -0.647 -0.263) 1.321 7.282 ( 2.603 1.503 1.048) 3.183 7.718 ( -11.323 -6.538 -0.864) 13.104 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 2.562 1.479 12.784) 13.122 1.276 ( -0.888 -0.513 -0.373) 1.091 1.541 ( 9.401 5.428 -8.094) 13.541 1.638 ( 11.355 6.556 4.679) 13.921 2.226 ( 6.290 3.631 1.483) 7.413 2.548 ( 11.391 6.577 -3.783) 13.687 4.962 ( 2.129 1.229 0.197) 2.467 5.536 ( -2.363 -1.364 -0.302) 2.746 5.544 ( -2.430 -1.403 0.080) 2.808 5.703 ( 14.756 8.519 -2.948) 17.292 7.363 ( -6.371 -3.678 -10.446) 12.776 7.396 ( -6.065 -3.502 11.137) 13.156 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.000 5.034 15.398) 16.200 1.201 ( 0.000 3.108 -11.247) 11.668 1.313 ( -0.000 5.004 9.521) 10.756 1.419 ( 0.000 11.478 -12.354) 16.863 2.141 ( -0.000 0.899 14.003) 14.031 2.446 ( 0.000 -1.010 -11.930) 11.973 4.927 ( -0.000 1.180 0.208) 1.198 5.239 ( -0.000 26.692 -0.774) 26.703 5.581 ( 0.000 -1.832 -0.074) 1.834 5.588 ( 0.000 -1.240 -0.242) 1.263 7.283 ( -0.000 2.864 0.743) 2.958 7.718 ( 0.000 -12.785 -0.929) 12.819 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 0.595 1.030 -0.000) 1.190 1.279 ( 1.393 2.413 0.000) 2.786 1.465 ( 5.297 9.174 -0.000) 10.593 1.580 ( 7.174 12.426 -0.000) 14.349 2.196 ( 2.257 3.910 -0.000) 4.514 2.480 ( 4.416 7.649 -0.000) 8.833 4.952 ( 1.151 1.993 -0.000) 2.301 5.545 ( -0.346 -0.599 -0.000) 0.692 5.560 ( -1.286 -2.227 -0.000) 2.571 5.599 ( 9.669 16.748 -0.000) 19.339 7.346 ( 2.729 4.726 -0.000) 5.458 7.486 ( -9.432 -16.337 0.000) 18.865 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.65e-08 1.65e-04 1.65e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -0.000 0.000 0.000) 0.000 1.145 ( -0.000 0.000 0.000) 0.000 1.286 ( 0.000 -0.000 -0.000) 0.000 1.286 ( 0.000 -0.000 -0.000) 0.000 2.172 ( -0.000 0.000 0.000) 0.000 2.456 ( 0.000 -0.000 -0.000) 0.000 4.916 ( -0.000 0.000 0.000) 0.000 4.916 ( -0.000 0.000 0.000) 0.000 5.600 ( -0.000 0.000 0.000) 0.000 5.600 ( -0.000 0.000 0.000) 0.000 7.257 ( -0.000 0.000 0.000) 0.000 7.849 ( -0.000 0.000 0.000) 0.000 =================== 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 3/32928 10.0 294.567 294.567 606.504 0.000 -0.000 -0.000 3/32928 20.0 72.567 72.567 82.792 0.000 -0.000 -0.000 3/32928 30.0 41.668 41.668 38.888 0.000 -0.000 -0.000 3/32928 40.0 29.043 29.043 24.511 0.000 -0.000 -0.000 3/32928 50.0 21.800 21.800 17.502 0.000 -0.000 -0.000 3/32928 60.0 17.199 17.199 13.446 0.000 -0.000 -0.000 3/32928 70.0 14.106 14.106 10.858 0.000 -0.000 -0.000 3/32928 80.0 11.925 11.925 9.089 0.000 -0.000 -0.000 3/32928 90.0 10.322 10.322 7.814 0.000 -0.000 -0.000 3/32928 100.0 9.100 9.100 6.855 0.000 -0.000 -0.000 3/32928 110.0 8.140 8.140 6.110 0.000 -0.000 -0.000 3/32928 120.0 7.368 7.368 5.514 0.000 -0.000 -0.000 3/32928 130.0 6.732 6.732 5.027 0.000 -0.000 -0.000 3/32928 140.0 6.200 6.200 4.621 0.000 -0.000 -0.000 3/32928 150.0 5.748 5.748 4.278 0.000 -0.000 -0.000 3/32928 160.0 5.359 5.359 3.983 0.000 -0.000 -0.000 3/32928 170.0 5.021 5.021 3.728 0.000 -0.000 -0.000 3/32928 180.0 4.723 4.723 3.504 0.000 -0.000 -0.000 3/32928 190.0 4.460 4.460 3.306 0.000 -0.000 -0.000 3/32928 200.0 4.225 4.225 3.130 0.000 -0.000 -0.000 3/32928 210.0 4.014 4.014 2.972 0.000 -0.000 -0.000 3/32928 220.0 3.824 3.824 2.829 0.000 -0.000 -0.000 3/32928 230.0 3.651 3.651 2.700 0.000 -0.000 -0.000 3/32928 240.0 3.493 3.493 2.583 0.000 -0.000 -0.000 3/32928 250.0 3.349 3.349 2.475 0.000 -0.000 -0.000 3/32928 260.0 3.216 3.216 2.376 0.000 -0.000 -0.000 3/32928 270.0 3.093 3.093 2.285 0.000 -0.000 -0.000 3/32928 280.0 2.980 2.980 2.201 0.000 -0.000 -0.000 3/32928 290.0 2.875 2.875 2.122 0.000 -0.000 -0.000 3/32928 300.0 2.776 2.776 2.049 0.000 -0.000 -0.000 3/32928 310.0 2.685 2.685 1.982 0.000 -0.000 -0.000 3/32928 320.0 2.599 2.599 1.918 0.000 -0.000 -0.000 3/32928 330.0 2.519 2.519 1.859 0.000 -0.000 -0.000 3/32928 340.0 2.444 2.444 1.803 0.000 -0.000 -0.000 3/32928 350.0 2.373 2.373 1.750 0.000 -0.000 -0.000 3/32928 360.0 2.306 2.306 1.700 0.000 -0.000 -0.000 3/32928 370.0 2.243 2.243 1.654 0.000 -0.000 -0.000 3/32928 380.0 2.183 2.183 1.609 0.000 -0.000 -0.000 3/32928 390.0 2.126 2.126 1.567 0.000 -0.000 -0.000 3/32928 400.0 2.072 2.072 1.528 0.000 -0.000 -0.000 3/32928 410.0 2.021 2.021 1.490 0.000 -0.000 -0.000 3/32928 420.0 1.973 1.973 1.454 0.000 -0.000 -0.000 3/32928 430.0 1.926 1.926 1.420 0.000 -0.000 -0.000 3/32928 440.0 1.882 1.882 1.387 0.000 -0.000 -0.000 3/32928 450.0 1.840 1.840 1.356 0.000 -0.000 -0.000 3/32928 460.0 1.799 1.799 1.326 0.000 -0.000 -0.000 3/32928 470.0 1.761 1.761 1.297 0.000 -0.000 -0.000 3/32928 480.0 1.724 1.724 1.270 0.000 -0.000 -0.000 3/32928 490.0 1.688 1.688 1.244 0.000 -0.000 -0.000 3/32928 500.0 1.654 1.654 1.219 0.000 -0.000 -0.000 3/32928 510.0 1.622 1.622 1.195 0.000 -0.000 -0.000 3/32928 520.0 1.590 1.590 1.171 0.000 -0.000 -0.000 3/32928 530.0 1.560 1.560 1.149 0.000 -0.000 -0.000 3/32928 540.0 1.531 1.531 1.128 0.000 -0.000 -0.000 3/32928 550.0 1.503 1.503 1.107 0.000 -0.000 -0.000 3/32928 560.0 1.476 1.476 1.087 0.000 -0.000 -0.000 3/32928 570.0 1.450 1.450 1.068 0.000 -0.000 -0.000 3/32928 580.0 1.425 1.425 1.049 0.000 -0.000 -0.000 3/32928 590.0 1.401 1.401 1.031 0.000 -0.000 -0.000 3/32928 600.0 1.377 1.377 1.014 0.000 -0.000 -0.000 3/32928 610.0 1.354 1.354 0.997 0.000 -0.000 -0.000 3/32928 620.0 1.332 1.332 0.981 0.000 -0.000 -0.000 3/32928 630.0 1.311 1.311 0.965 0.000 -0.000 -0.000 3/32928 640.0 1.291 1.291 0.950 0.000 -0.000 -0.000 3/32928 650.0 1.271 1.271 0.936 0.000 -0.000 -0.000 3/32928 660.0 1.251 1.251 0.921 0.000 -0.000 -0.000 3/32928 670.0 1.233 1.233 0.907 0.000 -0.000 -0.000 3/32928 680.0 1.214 1.214 0.894 0.000 -0.000 -0.000 3/32928 690.0 1.197 1.197 0.881 0.000 -0.000 -0.000 3/32928 700.0 1.180 1.180 0.868 0.000 -0.000 -0.000 3/32928 710.0 1.163 1.163 0.856 0.000 -0.000 -0.000 3/32928 720.0 1.147 1.147 0.844 0.000 -0.000 -0.000 3/32928 730.0 1.131 1.131 0.833 0.000 -0.000 -0.000 3/32928 740.0 1.116 1.116 0.821 0.000 -0.000 -0.000 3/32928 750.0 1.101 1.101 0.810 0.000 -0.000 -0.000 3/32928 760.0 1.086 1.086 0.800 0.000 -0.000 -0.000 3/32928 770.0 1.072 1.072 0.789 0.000 -0.000 -0.000 3/32928 780.0 1.058 1.058 0.779 0.000 -0.000 -0.000 3/32928 790.0 1.045 1.045 0.769 0.000 -0.000 -0.000 3/32928 800.0 1.032 1.032 0.759 0.000 -0.000 -0.000 3/32928 810.0 1.019 1.019 0.750 0.000 -0.000 -0.000 3/32928 820.0 1.007 1.007 0.741 0.000 -0.000 -0.000 3/32928 830.0 0.994 0.994 0.732 0.000 -0.000 -0.000 3/32928 840.0 0.983 0.983 0.723 0.000 -0.000 -0.000 3/32928 850.0 0.971 0.971 0.715 0.000 -0.000 -0.000 3/32928 860.0 0.960 0.960 0.706 0.000 -0.000 -0.000 3/32928 870.0 0.949 0.949 0.698 0.000 -0.000 -0.000 3/32928 880.0 0.938 0.938 0.690 0.000 -0.000 -0.000 3/32928 890.0 0.927 0.927 0.682 0.000 -0.000 -0.000 3/32928 900.0 0.917 0.917 0.675 0.000 -0.000 -0.000 3/32928 910.0 0.907 0.907 0.667 0.000 -0.000 -0.000 3/32928 920.0 0.897 0.897 0.660 0.000 -0.000 -0.000 3/32928 930.0 0.887 0.887 0.653 0.000 -0.000 -0.000 3/32928 940.0 0.878 0.878 0.646 0.000 -0.000 -0.000 3/32928 950.0 0.869 0.869 0.639 0.000 -0.000 -0.000 3/32928 960.0 0.860 0.860 0.633 0.000 -0.000 -0.000 3/32928 970.0 0.851 0.851 0.626 0.000 -0.000 -0.000 3/32928 980.0 0.842 0.842 0.620 0.000 -0.000 -0.000 3/32928 990.0 0.833 0.833 0.613 0.000 -0.000 -0.000 3/32928 1000.0 0.825 0.825 0.607 0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|