----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:32:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.039808869876667 1.177684200118677 7.606576429999993 b -2.039808869876663 1.177684200118677 7.606576429999993 c 0.000000000000002 -2.355368400237358 7.606576429999993 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 *2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 *3 Se 0.73579994957960 0.73579994957960 0.73579994957960 78.960 4 Se 0.26420005042040 0.26420005042040 0.26420005042040 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.079617739753330 0.000000000000000 0.000000000000000 b -2.039808869876665 3.533052600356036 0.000000000000000 c 0.000000000000000 0.000000000000000 22.819729290000001 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 1 3 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 1 *4 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 2 5 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 6 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 2 *7 Se 0.66666666666667 0.33333333333333 0.06913328291293 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.26420005042040 78.960 > 4 9 Se 0.33333333333333 0.66666666666667 0.40246661624627 78.960 > 3 10 Se 0.66666666666667 0.33333333333333 0.59753338375373 78.960 > 4 11 Se 0.00000000000000 0.00000000000000 0.73579994957960 78.960 > 3 12 Se 0.33333333333333 0.66666666666667 0.93086671708707 78.960 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.238853219259990 0.000000000000000 0.000000000000000 b -6.119426609629995 10.599157801068108 0.000000000000000 c 0.000000000000000 0.000000000000000 22.819729290000001 Atomic positions (fractional): *1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 1 5 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 1 6 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 1 7 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 1 8 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 1 9 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 1 10 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 1 11 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 1 12 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 1 13 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 1 14 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 1 15 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 1 16 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 1 17 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 1 18 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 1 19 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 1 20 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 1 21 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 1 22 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 1 23 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 1 24 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 1 25 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 1 26 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 1 27 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 1 *28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 2 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 2 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 2 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 2 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 2 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 2 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 2 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 2 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 2 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 2 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 2 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 2 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 2 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 2 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 2 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 2 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 2 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 2 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 2 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 2 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 2 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 2 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 2 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 2 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 2 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 2 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 2 *55 Se 0.22222222222222 0.11111111111111 0.06913328291293 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.06913328291293 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.06913328291293 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.06913328291293 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.06913328291293 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.06913328291293 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.06913328291293 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.06913328291293 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.06913328291293 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.26420005042040 78.960 > 4 65 Se 0.33333333333333 0.00000000000000 0.26420005042040 78.960 > 4 66 Se 0.66666666666667 0.00000000000000 0.26420005042040 78.960 > 4 67 Se 0.00000000000000 0.33333333333333 0.26420005042040 78.960 > 4 68 Se 0.33333333333333 0.33333333333333 0.26420005042040 78.960 > 4 69 Se 0.66666666666667 0.33333333333333 0.26420005042040 78.960 > 4 70 Se 0.00000000000000 0.66666666666667 0.26420005042040 78.960 > 4 71 Se 0.33333333333333 0.66666666666667 0.26420005042040 78.960 > 4 72 Se 0.66666666666667 0.66666666666667 0.26420005042040 78.960 > 4 73 Se 0.11111111111111 0.22222222222222 0.40246661624627 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.40246661624627 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.40246661624627 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.40246661624627 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.40246661624627 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.40246661624627 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.40246661624627 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.40246661624627 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.40246661624627 78.960 > 3 82 Se 0.22222222222222 0.11111111111111 0.59753338375373 78.960 > 4 83 Se 0.55555555555556 0.11111111111111 0.59753338375373 78.960 > 4 84 Se 0.88888888888889 0.11111111111111 0.59753338375373 78.960 > 4 85 Se 0.22222222222222 0.44444444444444 0.59753338375373 78.960 > 4 86 Se 0.55555555555556 0.44444444444444 0.59753338375373 78.960 > 4 87 Se 0.88888888888889 0.44444444444444 0.59753338375373 78.960 > 4 88 Se 0.22222222222222 0.77777777777778 0.59753338375373 78.960 > 4 89 Se 0.55555555555556 0.77777777777778 0.59753338375373 78.960 > 4 90 Se 0.88888888888889 0.77777777777778 0.59753338375373 78.960 > 4 91 Se 0.00000000000000 0.00000000000000 0.73579994957960 78.960 > 3 92 Se 0.33333333333333 0.00000000000000 0.73579994957960 78.960 > 3 93 Se 0.66666666666667 0.00000000000000 0.73579994957960 78.960 > 3 94 Se 0.00000000000000 0.33333333333333 0.73579994957960 78.960 > 3 95 Se 0.33333333333333 0.33333333333333 0.73579994957960 78.960 > 3 96 Se 0.66666666666667 0.33333333333333 0.73579994957960 78.960 > 3 97 Se 0.00000000000000 0.66666666666667 0.73579994957960 78.960 > 3 98 Se 0.33333333333333 0.66666666666667 0.73579994957960 78.960 > 3 99 Se 0.66666666666667 0.66666666666667 0.73579994957960 78.960 > 3 100 Se 0.11111111111111 0.22222222222222 0.93086671708707 78.960 > 4 101 Se 0.44444444444444 0.22222222222222 0.93086671708707 78.960 > 4 102 Se 0.77777777777778 0.22222222222222 0.93086671708707 78.960 > 4 103 Se 0.11111111111111 0.55555555555556 0.93086671708707 78.960 > 4 104 Se 0.44444444444444 0.55555555555556 0.93086671708707 78.960 > 4 105 Se 0.77777777777778 0.55555555555556 0.93086671708707 78.960 > 4 106 Se 0.11111111111111 0.88888888888889 0.93086671708707 78.960 > 4 107 Se 0.44444444444444 0.88888888888889 0.93086671708707 78.960 > 4 108 Se 0.77777777777778 0.88888888888889 0.93086671708707 78.960 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8562735 0.0000000 0.0000000 0.0000000 8.8562735 0.0000000 0.0000000 0.0000000 9.3618601 -------------------------- Born effective charges -------------------------- 1 Ho 4.4189546 -0.0000000 0.0000000 0.0000000 4.4189546 0.0000000 0.0000000 0.0000000 2.6701003 2 Tl 1.7381707 -0.0000000 0.0000000 0.0000000 1.7381707 0.0000000 0.0000000 0.0000000 3.2900345 3 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 4 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 ---------------------------------------------------------------------------- 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: 221 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): 0.006 Solver_block: 80 / 80 - Time: 0.126 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.133 --------------------------------- 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: 221 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:32:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:32:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.039808869876667 1.177684200118677 7.606576429999993 b -2.039808869876663 1.177684200118677 7.606576429999993 c 0.000000000000002 -2.355368400237358 7.606576429999993 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73579994957960 0.73579994957960 0.73579994957960 78.960 4 Se 0.26420005042040 0.26420005042040 0.26420005042040 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.238853219259990 0.000000000000000 0.000000000000000 b -6.119426609629995 10.599157801068108 0.000000000000000 c 0.000000000000000 0.000000000000000 22.819729290000001 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 1 5 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 1 6 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 1 7 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 1 8 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 1 9 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 1 10 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 1 11 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 1 12 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 1 13 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 1 14 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 1 15 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 1 16 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 1 17 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 1 18 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 1 19 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 1 20 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 1 21 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 1 22 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 1 23 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 1 24 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 1 25 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 1 26 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 1 27 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06913328291293 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06913328291293 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06913328291293 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06913328291293 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06913328291293 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06913328291293 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06913328291293 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06913328291293 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06913328291293 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26420005042040 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26420005042040 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26420005042040 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26420005042040 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26420005042040 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26420005042040 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26420005042040 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26420005042040 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26420005042040 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40246661624627 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40246661624627 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40246661624627 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40246661624627 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40246661624627 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40246661624627 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40246661624627 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40246661624627 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40246661624627 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59753338375373 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59753338375373 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59753338375373 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59753338375373 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59753338375373 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59753338375373 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59753338375373 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59753338375373 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59753338375373 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73579994957960 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73579994957960 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73579994957960 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73579994957960 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73579994957960 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73579994957960 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73579994957960 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73579994957960 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73579994957960 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93086671708707 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93086671708707 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93086671708707 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93086671708707 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93086671708707 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93086671708707 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93086671708707 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93086671708707 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93086671708707 78.960 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8562735 0.0000000 0.0000000 0.0000000 8.8562735 0.0000000 0.0000000 0.0000000 9.3618601 -------------------------- Born effective charges -------------------------- 1 Ho 4.4189546 -0.0000000 0.0000000 0.0000000 4.4189546 0.0000000 0.0000000 0.0000000 2.6701003 2 Tl 1.7381707 -0.0000000 0.0000000 0.0000000 1.7381707 0.0000000 0.0000000 0.0000000 3.2900345 3 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 4 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 ---------------------------------------------------------------------------- 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 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 18:32:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:32:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.039808869876667 1.177684200118677 7.606576429999993 b -2.039808869876663 1.177684200118677 7.606576429999993 c 0.000000000000002 -2.355368400237358 7.606576429999993 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 2 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 3 Se 0.73579994957960 0.73579994957960 0.73579994957960 78.960 4 Se 0.26420005042040 0.26420005042040 0.26420005042040 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.238853219259990 0.000000000000000 0.000000000000000 b -6.119426609629995 10.599157801068108 0.000000000000000 c 0.000000000000000 0.000000000000000 22.819729290000001 Atomic positions (fractional): 1 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 1 2 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 1 3 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 1 4 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 1 5 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 1 6 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 1 7 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 1 8 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 1 9 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 1 10 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 1 11 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 1 12 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 1 13 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 1 14 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 1 15 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 1 16 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 1 17 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 1 18 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 1 19 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 1 20 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 1 21 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 1 22 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 1 23 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 1 24 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 1 25 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 1 26 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 1 27 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 1 28 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 28 29 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 28 30 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 28 31 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 28 32 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 28 33 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 28 34 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 28 35 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 28 36 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 28 37 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 28 38 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 28 39 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 28 40 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 28 41 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 28 42 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 28 43 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 28 44 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 28 45 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 28 46 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 28 47 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 28 48 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 28 49 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 28 50 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 28 51 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 28 52 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 28 53 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 28 54 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 28 55 Se 0.22222222222222 0.11111111111111 0.06913328291293 78.960 > 55 56 Se 0.55555555555556 0.11111111111111 0.06913328291293 78.960 > 55 57 Se 0.88888888888889 0.11111111111111 0.06913328291293 78.960 > 55 58 Se 0.22222222222222 0.44444444444444 0.06913328291293 78.960 > 55 59 Se 0.55555555555556 0.44444444444444 0.06913328291293 78.960 > 55 60 Se 0.88888888888889 0.44444444444444 0.06913328291293 78.960 > 55 61 Se 0.22222222222222 0.77777777777778 0.06913328291293 78.960 > 55 62 Se 0.55555555555556 0.77777777777778 0.06913328291293 78.960 > 55 63 Se 0.88888888888889 0.77777777777778 0.06913328291293 78.960 > 55 64 Se 0.00000000000000 0.00000000000000 0.26420005042040 78.960 > 64 65 Se 0.33333333333333 0.00000000000000 0.26420005042040 78.960 > 64 66 Se 0.66666666666667 0.00000000000000 0.26420005042040 78.960 > 64 67 Se 0.00000000000000 0.33333333333333 0.26420005042040 78.960 > 64 68 Se 0.33333333333333 0.33333333333333 0.26420005042040 78.960 > 64 69 Se 0.66666666666667 0.33333333333333 0.26420005042040 78.960 > 64 70 Se 0.00000000000000 0.66666666666667 0.26420005042040 78.960 > 64 71 Se 0.33333333333333 0.66666666666667 0.26420005042040 78.960 > 64 72 Se 0.66666666666667 0.66666666666667 0.26420005042040 78.960 > 64 73 Se 0.11111111111111 0.22222222222222 0.40246661624627 78.960 > 55 74 Se 0.44444444444444 0.22222222222222 0.40246661624627 78.960 > 55 75 Se 0.77777777777778 0.22222222222222 0.40246661624627 78.960 > 55 76 Se 0.11111111111111 0.55555555555556 0.40246661624627 78.960 > 55 77 Se 0.44444444444444 0.55555555555556 0.40246661624627 78.960 > 55 78 Se 0.77777777777778 0.55555555555556 0.40246661624627 78.960 > 55 79 Se 0.11111111111111 0.88888888888889 0.40246661624627 78.960 > 55 80 Se 0.44444444444444 0.88888888888889 0.40246661624627 78.960 > 55 81 Se 0.77777777777778 0.88888888888889 0.40246661624627 78.960 > 55 82 Se 0.22222222222222 0.11111111111111 0.59753338375373 78.960 > 64 83 Se 0.55555555555556 0.11111111111111 0.59753338375373 78.960 > 64 84 Se 0.88888888888889 0.11111111111111 0.59753338375373 78.960 > 64 85 Se 0.22222222222222 0.44444444444444 0.59753338375373 78.960 > 64 86 Se 0.55555555555556 0.44444444444444 0.59753338375373 78.960 > 64 87 Se 0.88888888888889 0.44444444444444 0.59753338375373 78.960 > 64 88 Se 0.22222222222222 0.77777777777778 0.59753338375373 78.960 > 64 89 Se 0.55555555555556 0.77777777777778 0.59753338375373 78.960 > 64 90 Se 0.88888888888889 0.77777777777778 0.59753338375373 78.960 > 64 91 Se 0.00000000000000 0.00000000000000 0.73579994957960 78.960 > 55 92 Se 0.33333333333333 0.00000000000000 0.73579994957960 78.960 > 55 93 Se 0.66666666666667 0.00000000000000 0.73579994957960 78.960 > 55 94 Se 0.00000000000000 0.33333333333333 0.73579994957960 78.960 > 55 95 Se 0.33333333333333 0.33333333333333 0.73579994957960 78.960 > 55 96 Se 0.66666666666667 0.33333333333333 0.73579994957960 78.960 > 55 97 Se 0.00000000000000 0.66666666666667 0.73579994957960 78.960 > 55 98 Se 0.33333333333333 0.66666666666667 0.73579994957960 78.960 > 55 99 Se 0.66666666666667 0.66666666666667 0.73579994957960 78.960 > 55 100 Se 0.11111111111111 0.22222222222222 0.93086671708707 78.960 > 64 101 Se 0.44444444444444 0.22222222222222 0.93086671708707 78.960 > 64 102 Se 0.77777777777778 0.22222222222222 0.93086671708707 78.960 > 64 103 Se 0.11111111111111 0.55555555555556 0.93086671708707 78.960 > 64 104 Se 0.44444444444444 0.55555555555556 0.93086671708707 78.960 > 64 105 Se 0.77777777777778 0.55555555555556 0.93086671708707 78.960 > 64 106 Se 0.11111111111111 0.88888888888889 0.93086671708707 78.960 > 64 107 Se 0.44444444444444 0.88888888888889 0.93086671708707 78.960 > 64 108 Se 0.77777777777778 0.88888888888889 0.93086671708707 78.960 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8562735 0.0000000 0.0000000 0.0000000 8.8562735 0.0000000 0.0000000 0.0000000 9.3618601 -------------------------- Born effective charges -------------------------- 1 Ho 4.4189546 -0.0000000 0.0000000 0.0000000 4.4189546 0.0000000 0.0000000 0.0000000 2.6701003 2 Tl 1.7381707 -0.0000000 0.0000000 0.0000000 1.7381707 0.0000000 0.0000000 0.0000000 3.2900345 3 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 4 Se -3.0785626 0.0000000 0.0000000 0.0000000 -3.0785626 0.0000000 0.0000000 0.0000000 -2.9800674 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxz) 0.00000000 (xxz) 0.00000000 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.87, Number of G-points: 313, Lambda: 0.27 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 2.00e-05 4.63e-04 4.63e-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 1.337 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 3.928 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.871 ( 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 13.374 7.722 -9.761) 18.269 0.311 ( 14.882 8.592 -14.181) 22.280 0.675 ( 24.781 14.307 17.284) 33.430 1.351 ( 1.221 0.705 0.022) 1.410 1.451 ( 4.466 2.578 -1.658) 5.416 2.081 ( -0.541 -0.312 7.294) 7.320 3.700 ( 0.735 0.424 -0.117) 0.856 3.921 ( -0.706 -0.408 0.486) 0.949 3.945 ( 1.502 0.867 -0.634) 1.846 4.789 ( -0.909 -0.525 -18.023) 18.053 4.856 ( -3.097 -1.788 7.198) 8.038 5.500 ( -2.678 -1.546 1.981) 3.672 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 13.404 7.739 -7.743) 17.306 0.598 ( 13.251 7.650 -13.399) 20.338 1.179 ( 12.250 7.073 9.773) 17.193 1.398 ( 2.924 1.688 0.028) 3.377 1.658 ( 15.041 8.684 1.704) 17.451 2.090 ( 0.142 0.082 0.728) 0.747 3.723 ( 1.266 0.731 -0.378) 1.510 3.901 ( -1.016 -0.587 0.859) 1.454 3.996 ( 2.985 1.723 0.015) 3.447 4.704 ( -3.493 -2.017 -5.701) 6.984 4.754 ( -7.241 -4.181 7.774) 11.417 5.424 ( -3.202 -1.848 -6.037) 7.079 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 10.960 6.328 -5.414) 13.765 0.841 ( 10.918 6.303 -12.412) 17.692 1.333 ( 1.854 1.070 1.185) 2.447 1.499 ( 6.021 3.476 -0.139) 6.953 2.071 ( 6.680 3.857 -2.531) 8.118 2.133 ( 13.932 8.044 4.634) 16.742 3.753 ( 1.362 0.787 -0.689) 1.717 3.883 ( -0.686 -0.396 1.007) 1.281 4.081 ( 3.900 2.252 1.455) 4.732 4.512 ( -12.404 -7.162 6.434) 15.702 4.657 ( -2.108 -1.217 -1.545) 2.883 5.318 ( -3.811 -2.200 -8.274) 9.372 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 6.211 3.586 -3.210) 7.857 1.033 ( 8.845 5.107 -10.708) 14.798 1.330 ( -1.205 -0.696 -2.649) 2.992 1.682 ( 9.432 5.446 -0.602) 10.908 2.093 ( 0.213 0.123 0.515) 0.570 2.564 ( 16.866 9.738 0.640) 19.486 3.779 ( 0.965 0.557 -0.549) 1.242 3.879 ( 0.126 0.073 0.641) 0.658 4.146 ( -3.607 -2.082 -2.335) 4.775 4.236 ( -7.500 -4.330 6.948) 11.103 4.627 ( -0.210 -0.121 0.506) 0.561 5.198 ( -4.273 -2.467 -7.450) 8.936 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.874 1.659 -1.637) 3.701 1.176 ( 4.015 2.318 -5.816) 7.437 1.312 ( 3.074 1.775 -4.751) 5.931 1.905 ( 9.193 5.307 -0.842) 10.648 2.083 ( -2.051 -1.184 3.362) 4.113 2.894 ( 11.399 6.581 -1.658) 13.266 3.795 ( 0.562 0.324 0.046) 0.650 3.863 ( -12.552 -7.247 -3.680) 14.953 3.890 ( 0.621 0.359 -0.052) 0.719 4.252 ( 0.854 0.493 2.719) 2.892 4.658 ( 2.537 1.465 1.907) 3.495 5.078 ( -4.319 -2.493 -4.932) 7.014 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.163 0.672 -0.672) 1.502 1.172 ( -1.100 -0.635 -1.838) 2.234 1.475 ( 9.585 5.534 -3.674) 11.662 2.003 ( -5.730 -3.308 3.769) 7.615 2.079 ( 5.420 3.129 -0.599) 6.287 3.085 ( 5.490 3.170 -1.460) 6.506 3.609 ( -7.475 -4.316 -3.989) 9.509 3.806 ( 0.310 0.179 0.277) 0.452 3.903 ( 0.468 0.270 -0.278) 0.607 4.261 ( -0.258 -0.149 0.753) 0.810 4.747 ( 4.249 2.453 1.501) 5.130 4.967 ( -4.238 -2.447 -2.142) 5.342 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.000 0.000 0.000) 0.000 1.169 ( 0.000 0.000 0.000) 0.000 1.627 ( -0.000 -0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 -0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 -0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.837 ( -0.000 -0.000 -0.000) 0.000 4.878 ( 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -0.000 14.477 15.316) 21.075 0.426 ( -0.000 20.156 0.291) 20.158 0.589 ( -0.000 25.710 7.664) 26.828 1.347 ( 0.000 1.312 -0.872) 1.575 1.445 ( 0.000 5.701 -2.384) 6.180 2.116 ( -0.000 -4.081 13.229) 13.844 3.703 ( -0.000 0.965 0.527) 1.099 3.913 ( 0.000 -1.099 -1.015) 1.496 3.948 ( -0.000 1.830 0.072) 1.831 4.689 ( 0.000 2.232 -28.010) 28.099 4.870 ( -0.000 -1.837 3.041) 3.553 5.541 ( -0.000 -4.466 7.925) 9.097 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -4.515 13.391 11.310) 18.101 0.695 ( 2.760 21.865 -10.065) 24.228 1.061 ( 15.075 12.545 12.070) 23.028 1.381 ( 1.936 2.680 -0.384) 3.328 1.566 ( 6.809 10.615 -0.609) 12.626 2.102 ( -1.020 -0.938 3.555) 3.816 3.715 ( 0.165 0.985 0.386) 1.071 3.900 ( 0.202 -1.364 -0.618) 1.511 3.981 ( 1.307 2.671 0.048) 2.974 4.649 ( 2.211 -3.406 -13.159) 13.772 4.829 ( -3.050 -4.939 5.854) 8.244 5.462 ( -4.933 -2.484 -1.028) 5.618 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 7.562 7.723 2.183) 11.027 0.913 ( 2.606 17.295 -8.808) 19.583 1.301 ( 3.838 1.742 2.328) 4.815 1.470 ( 3.333 5.673 0.494) 6.598 1.930 ( 15.584 15.558 1.386) 22.064 2.093 ( 0.689 0.609 0.397) 1.001 3.733 ( 0.906 0.479 0.305) 1.069 3.890 ( 0.038 -0.649 0.070) 0.654 4.050 ( 2.953 3.079 0.891) 4.358 4.604 ( -0.286 -4.499 -4.495) 6.366 4.692 ( -7.521 -6.150 6.034) 11.437 5.335 ( -4.814 -2.827 -6.766) 8.772 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 10.018 4.010 -2.845) 11.159 1.072 ( 1.756 11.266 -6.206) 12.981 1.329 ( -0.221 -0.770 -2.144) 2.288 1.621 ( 5.818 8.576 -0.246) 10.366 2.075 ( 1.239 -0.044 -1.456) 1.912 2.405 ( 15.419 14.196 1.857) 21.041 3.754 ( 1.141 -0.186 -0.026) 1.156 3.892 ( -0.101 1.020 0.332) 1.077 4.136 ( 2.611 1.943 0.856) 3.365 4.422 ( -13.035 -4.876 4.925) 14.763 4.601 ( 1.020 -3.400 -1.158) 3.734 5.201 ( -3.632 -4.246 -7.801) 9.596 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.767 2.020 -3.911) 9.810 1.167 ( 0.982 5.792 -3.619) 6.900 1.299 ( -0.547 0.377 -3.730) 3.789 1.831 ( 7.196 8.785 -0.543) 11.369 2.093 ( 0.818 -0.308 1.543) 1.773 2.772 ( 11.635 10.466 -0.825) 15.671 3.761 ( 0.516 -1.811 -1.117) 2.189 3.904 ( -0.867 2.058 0.478) 2.283 4.065 ( -11.878 -1.361 -2.128) 12.143 4.266 ( -1.666 0.850 4.091) 4.498 4.613 ( 3.270 -1.418 0.602) 3.615 5.077 ( -2.520 -5.190 -5.801) 8.182 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 4.504 0.911 -2.572) 5.266 1.180 ( -1.059 -0.167 -1.500) 1.843 1.365 ( 6.302 5.098 -3.171) 8.704 1.984 ( 2.415 -0.614 1.652) 2.990 2.123 ( 0.199 6.807 0.603) 6.837 3.013 ( 6.958 5.704 -1.103) 9.064 3.678 ( -5.855 -4.737 -4.006) 8.530 3.860 ( -4.709 2.441 2.004) 5.670 3.948 ( -2.699 5.071 -1.365) 5.904 4.265 ( -0.404 -0.434 0.899) 1.077 4.685 ( 4.912 0.304 0.993) 5.020 4.973 ( -1.927 -5.180 -2.731) 6.165 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.521 -0.340 -1.652) 1.766 1.169 ( 0.191 0.657 -0.047) 0.685 1.536 ( 7.768 1.572 -2.088) 8.196 1.928 ( -3.519 -4.024 2.027) 5.717 2.211 ( -1.660 9.092 -0.728) 9.271 3.129 ( 2.526 1.429 0.107) 2.904 3.544 ( -3.470 -0.286 -0.888) 3.593 3.842 ( -1.993 2.659 1.170) 3.523 3.956 ( -2.312 4.975 -0.538) 5.512 4.254 ( -0.015 -0.860 -0.185) 0.880 4.784 ( 5.480 0.521 0.254) 5.510 4.881 ( -2.447 -4.802 -0.821) 5.451 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 1.343 0.210 0.372) 1.410 1.169 ( -0.827 -0.078 0.302) 0.884 1.548 ( -3.744 -6.112 0.202) 7.170 1.908 ( 3.790 0.629 -2.099) 4.377 2.213 ( -6.765 6.118 -0.197) 9.123 3.135 ( -2.126 -1.389 1.347) 2.874 3.569 ( 3.341 3.927 4.404) 6.781 3.838 ( -1.817 2.500 0.174) 3.095 3.959 ( -2.874 4.817 0.214) 5.614 4.251 ( 0.603 -0.460 -0.655) 1.002 4.778 ( -3.603 -4.284 -1.080) 5.701 4.888 ( 6.117 -0.360 0.769) 6.176 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -2.468 -2.708 1.753) 4.061 1.196 ( 1.648 0.388 1.759) 2.442 1.396 ( -5.979 -3.641 3.222) 7.706 1.963 ( 1.527 -2.232 -2.805) 3.896 2.115 ( -7.925 3.316 -0.940) 8.642 3.029 ( -8.295 -3.301 2.128) 9.178 3.727 ( 5.998 2.784 6.311) 9.141 3.844 ( 0.181 4.593 -1.524) 4.842 3.960 ( -2.623 5.665 1.365) 6.390 4.252 ( -0.106 -0.136 -1.803) 1.812 4.670 ( -2.914 -3.958 -2.313) 5.432 5.001 ( 6.748 -0.690 3.076) 7.448 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -4.966 -7.225 4.446) 9.830 1.198 ( -3.395 0.704 3.005) 4.588 1.337 ( -0.646 0.666 4.218) 4.319 1.836 ( -10.829 -2.010 0.573) 11.029 2.074 ( 0.751 -0.186 -2.550) 2.665 2.781 ( -15.727 -5.125 1.163) 16.582 3.775 ( -0.095 -1.288 1.919) 2.313 3.896 ( -0.934 1.950 -1.288) 2.517 4.091 ( 7.081 9.494 3.281) 12.290 4.225 ( -1.731 1.136 -4.327) 4.796 4.602 ( 0.288 -2.975 -1.798) 3.488 5.130 ( 7.046 -0.428 5.250) 8.797 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -7.820 -10.099 5.796) 14.026 1.126 ( -8.273 2.839 5.100) 10.125 1.348 ( -0.892 -0.242 1.729) 1.961 1.625 ( -10.646 -0.962 0.533) 10.703 2.083 ( 0.940 -0.545 0.159) 1.098 2.389 ( -21.827 -6.333 -1.412) 22.771 3.757 ( -0.588 -1.566 0.620) 1.784 3.885 ( -0.820 0.917 -1.096) 1.648 4.127 ( -3.675 -1.371 -1.161) 4.091 4.382 ( 9.623 9.604 -3.423) 14.019 4.608 ( 3.279 -2.009 0.223) 3.852 5.266 ( 6.421 0.144 5.755) 8.624 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -10.276 -9.594 4.938) 14.901 0.990 ( -13.831 4.416 7.115) 16.169 1.276 ( -6.884 -2.483 -2.784) 7.830 1.467 ( -6.583 -0.360 -0.184) 6.596 1.915 ( -22.876 -5.022 -1.737) 23.485 2.094 ( -0.073 -0.151 0.228) 0.283 3.732 ( -0.745 -1.050 0.210) 1.305 3.887 ( 0.556 0.322 -0.683) 0.938 4.044 ( -3.859 -0.702 -0.435) 3.947 4.607 ( 8.502 4.900 -4.839) 10.941 4.670 ( 5.099 -1.004 2.322) 5.692 5.386 ( 4.975 0.533 3.937) 6.367 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -11.015 -0.000 0.000) 11.015 0.757 ( -18.429 -0.000 0.000) 18.429 0.989 ( -22.076 -0.000 0.000) 22.076 1.383 ( -3.039 -0.000 0.000) 3.039 1.570 ( -11.842 -0.000 0.000) 11.842 2.084 ( -0.929 -0.000 0.000) 0.929 3.713 ( -0.922 -0.000 0.000) 0.922 3.903 ( 1.123 0.000 -0.000) 1.123 3.981 ( -2.849 -0.000 0.000) 2.849 4.747 ( 6.326 0.000 -0.000) 6.326 4.768 ( 5.152 0.000 -0.000) 5.152 5.467 ( 3.075 0.000 -0.000) 3.075 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.000 12.328 11.631) 16.949 0.803 ( -0.000 16.627 0.347) 16.631 1.087 ( -0.000 17.046 7.202) 18.505 1.387 ( 0.000 3.687 -1.159) 3.865 1.631 ( -0.000 15.213 -1.139) 15.256 2.111 ( -0.000 -1.413 2.396) 2.782 3.734 ( -0.000 1.638 0.658) 1.765 3.877 ( 0.000 -1.453 -1.481) 2.074 3.995 ( -0.000 2.597 -0.333) 2.618 4.540 ( 0.000 -4.218 -11.260) 12.025 4.812 ( -0.000 -6.031 3.813) 7.135 5.483 ( 0.000 -3.469 -0.317) 3.483 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -8.613 13.015 11.409) 19.332 1.014 ( 2.225 13.753 -4.496) 14.640 1.276 ( 2.626 4.885 2.790) 6.209 1.475 ( 3.778 6.581 0.965) 7.649 1.896 ( 8.839 20.725 -0.021) 22.532 2.094 ( -0.363 -0.473 -0.303) 0.668 3.746 ( -0.619 1.664 1.148) 2.114 3.865 ( 0.872 -1.295 -1.482) 2.152 4.042 ( 2.132 2.980 0.086) 3.665 4.495 ( 2.963 -5.690 -5.703) 8.584 4.732 ( -2.850 -7.380 3.316) 8.579 5.391 ( -5.531 -3.153 -3.270) 7.157 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -2.522 10.964 7.342) 13.434 1.141 ( 0.775 9.076 -3.791) 9.866 1.318 ( -0.025 0.703 -2.494) 2.592 1.628 ( 4.376 9.363 0.403) 10.343 2.053 ( 0.359 -0.008 -2.285) 2.313 2.329 ( 12.307 18.446 1.307) 22.213 3.755 ( -0.601 1.227 1.435) 1.981 3.882 ( 2.164 0.229 -1.177) 2.473 4.118 ( 2.521 2.789 0.960) 3.880 4.476 ( 2.463 -5.766 -2.042) 6.594 4.588 ( -5.881 -6.447 2.285) 9.020 5.228 ( -6.840 -3.876 -5.532) 9.613 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 1.785 7.819 2.848) 8.511 1.204 ( -0.218 3.594 -1.470) 3.889 1.302 ( -0.507 1.405 -4.671) 4.904 1.816 ( 5.327 9.570 -0.090) 10.953 2.071 ( 2.012 0.715 0.758) 2.266 2.700 ( 10.331 14.204 -0.874) 17.586 3.753 ( -0.882 0.255 -0.167) 0.933 3.928 ( 1.493 2.491 -1.191) 3.139 4.156 ( -1.404 -0.234 -0.230) 1.442 4.383 ( -7.697 -1.387 2.362) 8.169 4.518 ( 4.185 -3.845 -0.021) 5.683 5.058 ( -4.686 -5.633 -5.425) 9.117 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.291 5.162 0.559) 6.147 1.193 ( -1.216 -0.872 -0.804) 1.699 1.337 ( 2.247 4.562 -2.227) 5.552 1.950 ( 2.307 0.630 1.734) 2.954 2.170 ( 3.641 9.230 0.540) 9.937 2.961 ( 6.638 8.397 -1.145) 10.765 3.712 ( -3.377 -0.947 -3.362) 4.859 3.956 ( -1.783 2.680 -0.480) 3.254 4.071 ( -5.150 1.748 -0.939) 5.519 4.293 ( -3.627 0.505 1.284) 3.881 4.590 ( 5.738 -1.116 0.919) 5.917 4.928 ( -1.465 -6.436 -3.061) 7.276 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.787 1.414 -1.547) 2.239 1.175 ( 0.091 0.805 0.496) 0.950 1.441 ( 4.813 2.753 0.058) 5.545 1.940 ( -1.507 -3.390 2.343) 4.388 2.335 ( 0.767 12.920 -0.887) 12.973 3.099 ( 3.178 2.867 0.179) 4.284 3.611 ( -4.804 0.275 -3.365) 5.872 3.928 ( -3.376 2.759 1.790) 4.713 4.062 ( -1.780 6.215 -1.270) 6.588 4.244 ( -1.629 -1.538 0.027) 2.240 4.680 ( 5.436 -1.098 -0.557) 5.574 4.852 ( -0.256 -5.290 -0.327) 5.306 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.865 0.092 -0.840) 1.209 1.190 ( -0.749 1.269 0.525) 1.564 1.506 ( 1.424 -3.207 -0.797) 3.599 1.887 ( -1.067 -0.952 0.363) 1.475 2.413 ( -5.860 10.725 -1.040) 12.265 3.143 ( 0.457 -0.412 1.421) 1.548 3.587 ( 0.582 4.073 1.785) 4.485 3.911 ( -2.657 2.989 1.230) 4.184 4.089 ( -3.780 8.154 -0.033) 8.988 4.215 ( 1.425 -2.983 -0.587) 3.358 4.738 ( 3.358 -5.015 -1.696) 6.269 4.807 ( 0.627 -1.778 0.662) 1.998 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.177 0.160 -0.785) 0.821 1.167 ( -0.503 -0.765 2.265) 2.443 1.436 ( -2.798 -4.139 -0.531) 5.024 1.895 ( 2.086 -0.390 -2.059) 2.957 2.338 ( -11.290 5.480 -0.562) 12.562 3.116 ( -3.529 -1.288 1.828) 4.178 3.706 ( 4.244 5.693 5.882) 9.221 3.903 ( -1.907 3.845 -0.525) 4.324 4.089 ( -4.410 6.298 1.533) 7.840 4.231 ( 2.055 -0.338 -1.305) 2.458 4.665 ( -2.538 -5.848 -2.194) 6.742 4.867 ( 6.517 -2.082 1.163) 6.939 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -5.333 -3.578 2.339) 6.835 1.209 ( 1.823 0.154 0.755) 1.979 1.375 ( -1.416 -0.365 1.570) 2.145 1.910 ( 0.615 -1.377 -2.140) 2.618 2.159 ( -11.319 1.498 -0.547) 11.431 2.987 ( -10.505 -1.840 1.469) 10.765 3.791 ( -0.923 0.662 4.385) 4.529 3.944 ( -0.450 5.490 -1.551) 5.723 4.107 ( 1.146 4.296 2.720) 5.212 4.257 ( -0.246 3.942 -2.131) 4.488 4.558 ( -1.281 -5.640 -2.403) 6.263 4.986 ( 8.694 -2.169 2.597) 9.329 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -7.911 -3.711 2.347) 9.048 1.221 ( -1.111 0.359 0.581) 1.304 1.372 ( -0.585 0.502 1.985) 2.129 1.818 ( -10.031 -0.326 0.116) 10.037 2.055 ( -0.130 -0.343 -0.912) 0.983 2.713 ( -18.767 -1.919 0.378) 18.869 3.768 ( -1.867 -0.516 1.209) 2.283 3.930 ( -3.259 1.515 -0.905) 3.707 4.159 ( -0.695 -0.592 0.150) 0.925 4.349 ( 4.320 8.953 -1.062) 9.997 4.513 ( 2.985 -5.012 -0.653) 5.870 5.136 ( 9.008 -0.940 2.423) 9.376 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -10.472 -0.000 0.000) 10.472 1.175 ( -5.100 -0.000 0.000) 5.100 1.350 ( -2.949 -0.000 0.000) 2.949 1.622 ( -10.856 -0.000 0.000) 10.856 2.078 ( 1.707 0.000 -0.000) 1.707 2.316 ( -24.387 -0.000 0.000) 24.387 3.740 ( -0.994 -0.000 0.000) 0.994 3.893 ( -1.297 -0.000 0.000) 1.297 4.109 ( -3.754 -0.000 0.000) 3.754 4.503 ( 6.577 0.000 -0.000) 6.577 4.561 ( 5.812 0.000 -0.000) 5.812 5.283 ( 7.507 0.000 -0.000) 7.507 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 6.445 5.143) 8.245 1.091 ( -0.000 11.463 0.142) 11.464 1.336 ( -0.000 5.407 4.263) 6.886 1.505 ( -0.000 8.591 0.218) 8.594 2.040 ( -0.000 16.981 -1.756) 17.072 2.095 ( -0.000 6.144 -0.154) 6.146 3.770 ( -0.000 1.383 0.325) 1.421 3.848 ( 0.000 -0.291 -1.079) 1.117 4.038 ( 0.000 1.887 -1.092) 2.180 4.398 ( 0.000 -5.453 -1.455) 5.644 4.682 ( 0.000 -7.852 0.666) 7.881 5.399 ( 0.000 -3.807 -2.926) 4.802 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.208 6.505 4.716) 9.070 1.198 ( 0.479 6.698 -0.497) 6.734 1.353 ( -2.586 2.690 -1.010) 3.866 1.650 ( 4.180 9.875 0.829) 10.755 2.041 ( -0.213 -1.667 -2.330) 2.873 2.375 ( 6.263 23.030 0.438) 23.871 3.797 ( 0.148 2.400 1.859) 3.039 3.833 ( 0.470 -0.665 -2.114) 2.265 4.093 ( 3.700 2.036 -0.393) 4.241 4.362 ( 1.946 -5.700 1.038) 6.112 4.587 ( -1.921 -7.139 -1.083) 7.472 5.296 ( -5.760 -4.081 -3.636) 7.940 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -2.309 6.501 3.979) 7.964 1.234 ( -1.205 1.353 0.584) 1.903 1.327 ( -1.503 3.030 -4.567) 5.683 1.826 ( 4.145 8.474 0.328) 9.439 2.045 ( 2.478 1.012 0.652) 2.755 2.703 ( 6.947 17.677 -0.985) 19.019 3.792 ( -2.097 1.728 0.012) 2.717 3.885 ( 4.115 0.815 -1.695) 4.524 4.166 ( 1.083 1.372 0.484) 1.814 4.361 ( 4.513 -5.072 1.380) 6.928 4.479 ( -2.783 -4.006 -1.131) 5.007 5.111 ( -8.265 -4.711 -3.899) 10.281 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.019 6.395 3.704) 7.390 1.200 ( -1.699 -1.499 -0.380) 2.297 1.348 ( 0.789 3.733 -1.951) 4.285 1.924 ( 1.752 0.301 1.902) 2.604 2.187 ( 6.185 10.209 1.149) 11.992 2.950 ( 4.919 10.885 -1.434) 12.030 3.764 ( -3.092 1.699 -2.569) 4.364 3.950 ( 3.426 0.319 -3.637) 5.007 4.134 ( -3.713 -1.561 0.292) 4.038 4.386 ( -2.377 0.944 -0.051) 2.558 4.471 ( 6.283 -1.471 2.662) 6.981 4.915 ( -6.026 -5.508 -3.233) 8.781 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.790 0.322 0.084) 1.821 1.188 ( 0.774 3.869 2.184) 4.510 1.410 ( 2.492 2.322 1.159) 3.598 1.933 ( -0.139 -2.048 2.518) 3.249 2.421 ( 5.199 13.840 0.351) 14.789 3.084 ( 2.228 4.206 -0.569) 4.794 3.695 ( -5.016 1.735 -4.824) 7.172 3.988 ( 1.319 0.698 -3.528) 3.830 4.064 ( -0.683 -2.376 0.977) 2.658 4.342 ( -5.599 3.974 1.659) 7.064 4.580 ( 5.393 -0.652 0.979) 5.519 4.794 ( -0.542 -5.013 -1.572) 5.282 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.436 -0.106 -0.276) 0.526 1.231 ( -1.095 3.463 1.398) 3.892 1.459 ( 1.250 -1.449 1.047) 2.181 1.905 ( -1.523 -1.028 1.216) 2.203 2.606 ( -1.618 13.734 -0.505) 13.838 3.125 ( 1.145 -0.817 0.868) 1.653 3.639 ( -1.882 3.856 -1.733) 4.628 3.983 ( -1.991 1.921 -0.624) 2.836 4.081 ( 5.410 -4.610 -0.949) 7.171 4.288 ( -6.520 5.969 2.330) 9.142 4.634 ( 2.665 -2.483 -1.808) 4.066 4.769 ( 1.667 -2.933 0.311) 3.388 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.080 0.163 -0.148) 1.102 1.224 ( -3.219 1.481 1.155) 3.727 1.426 ( -1.224 -3.443 -0.974) 3.782 1.881 ( -0.725 0.070 -0.183) 0.750 2.598 ( -10.965 7.372 -0.897) 13.244 3.137 ( 0.598 -0.967 1.504) 1.886 3.715 ( 3.504 6.576 2.853) 7.979 3.967 ( -1.764 2.323 -1.190) 3.151 4.118 ( 4.420 -6.348 0.222) 7.739 4.271 ( -4.077 8.794 2.056) 9.909 4.610 ( 0.246 -5.894 -3.026) 6.630 4.780 ( 2.042 -1.329 0.660) 2.525 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -5.346 -0.796 0.745) 5.456 1.171 ( 2.358 0.081 0.183) 2.366 1.383 ( -0.433 -0.993 -0.494) 1.190 1.877 ( 0.533 -0.269 -0.830) 1.023 2.410 ( -14.319 1.872 -0.303) 14.444 3.108 ( -4.165 -0.390 0.840) 4.266 3.831 ( 0.311 2.568 3.417) 4.285 3.991 ( 1.462 5.992 -2.029) 6.493 4.103 ( 0.863 -5.022 1.319) 5.263 4.328 ( -1.106 8.677 1.573) 8.887 4.513 ( -1.793 -7.589 -3.039) 8.370 4.835 ( 5.909 -1.276 0.730) 6.089 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -6.527 -0.000 0.000) 6.527 1.212 ( 1.866 0.000 -0.000) 1.866 1.379 ( 0.200 0.000 -0.000) 0.200 1.888 ( 0.493 0.000 -0.000) 0.493 2.172 ( -12.583 -0.000 0.000) 12.583 2.973 ( -11.402 -0.000 0.000) 11.402 3.812 ( -2.735 -0.000 0.000) 2.735 4.010 ( -4.085 -0.000 0.000) 4.085 4.125 ( 4.013 0.000 -0.000) 4.013 4.389 ( -1.102 -0.000 0.000) 1.102 4.423 ( 1.291 0.000 -0.000) 1.291 4.967 ( 9.354 0.000 -0.000) 9.354 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.000 1.595 -0.097) 1.598 1.264 ( -0.000 5.425 0.423) 5.441 1.404 ( 0.000 0.720 -1.395) 1.570 1.716 ( -0.000 10.941 0.591) 10.957 2.006 ( 0.000 -3.402 -2.102) 3.999 2.568 ( -0.000 23.729 0.688) 23.739 3.787 ( -0.000 0.366 0.089) 0.377 3.861 ( -0.000 1.816 -0.323) 1.844 4.057 ( 0.000 0.690 -0.270) 0.741 4.310 ( -0.000 -4.271 4.058) 5.892 4.525 ( 0.000 -6.018 -3.817) 7.126 5.293 ( 0.000 -4.814 -3.151) 5.753 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.090 1.153 -0.775) 1.392 1.287 ( -1.874 1.076 1.321) 2.533 1.371 ( -1.898 1.232 -4.570) 5.099 1.850 ( 2.318 7.970 0.264) 8.305 1.995 ( 3.399 -0.902 0.148) 3.519 2.814 ( 2.084 19.333 -0.006) 19.445 3.810 ( 1.754 0.050 -1.551) 2.342 3.864 ( -1.174 2.588 1.083) 3.041 4.118 ( 5.105 0.610 0.166) 5.144 4.280 ( -0.052 -4.200 4.028) 5.820 4.458 ( -0.416 -3.030 -4.368) 5.332 5.181 ( -5.612 -5.261 -2.827) 8.196 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.773 0.972 -0.156) 2.028 1.243 ( -2.544 -0.165 0.861) 2.690 1.367 ( 0.064 2.222 -1.905) 2.927 1.909 ( 0.824 -0.067 2.060) 2.220 2.152 ( 8.675 7.757 0.210) 11.639 3.010 ( 1.578 12.748 -0.560) 12.858 3.823 ( -1.022 2.161 -2.472) 3.439 3.878 ( 1.201 -0.589 -1.385) 1.925 4.178 ( -1.498 -0.247 0.093) 1.521 4.289 ( 6.971 -3.263 1.480) 7.838 4.441 ( 0.660 1.186 -0.800) 1.575 4.992 ( -8.331 -4.997 -2.147) 9.949 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.327 -1.406 -0.121) 1.449 1.245 ( 0.200 4.059 2.451) 4.746 1.398 ( 1.447 1.237 1.033) 2.166 1.922 ( 0.543 -1.008 2.502) 2.751 2.413 ( 10.238 10.144 0.354) 14.417 3.117 ( -0.280 6.283 -0.465) 6.307 3.786 ( -4.530 2.504 -5.209) 7.343 3.890 ( 3.173 -3.453 -2.358) 5.249 4.113 ( -3.880 -0.672 0.463) 3.965 4.407 ( 5.625 0.643 -0.657) 5.700 4.487 ( 2.555 1.074 3.148) 4.194 4.807 ( -6.383 -3.393 -1.725) 7.431 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.505 -0.751 -0.009) 0.905 1.299 ( -0.611 4.476 1.762) 4.849 1.431 ( 1.064 -1.299 2.030) 2.634 1.921 ( -0.570 -0.438 1.503) 1.666 2.697 ( 8.091 12.097 0.955) 14.584 3.120 ( -2.552 -0.355 -0.415) 2.610 3.714 ( -3.586 2.837 -4.639) 6.514 3.903 ( 4.342 -5.504 -2.018) 7.295 4.053 ( -2.707 0.064 1.039) 2.901 4.448 ( -3.341 4.457 2.337) 6.041 4.566 ( 4.164 -1.269 0.552) 4.388 4.712 ( -0.329 -2.165 -1.706) 2.776 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.054 -0.100 0.025) 0.116 1.314 ( -3.241 3.441 1.344) 4.915 1.409 ( -0.730 -3.160 -0.118) 3.245 1.904 ( -1.385 0.075 0.349) 1.430 2.851 ( -7.662 9.327 -0.133) 12.071 3.076 ( 3.932 -4.008 0.527) 5.639 3.732 ( 2.027 5.239 -0.219) 5.621 3.925 ( 5.828 -5.897 -2.367) 8.622 4.022 ( -1.346 -0.179 1.323) 1.896 4.437 ( -4.324 6.015 3.476) 8.183 4.558 ( -1.166 -3.710 -3.275) 5.085 4.731 ( 3.030 -1.057 0.176) 3.214 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.183 0.000 -0.000) 1.183 1.249 ( -5.614 -0.000 0.000) 5.614 1.381 ( -0.397 -0.000 0.000) 0.397 1.882 ( -1.043 -0.000 0.000) 1.043 2.674 ( -14.102 -0.000 0.000) 14.102 3.130 ( 1.553 0.000 -0.000) 1.553 3.827 ( 3.167 0.000 -0.000) 3.167 3.995 ( 5.944 0.000 -0.000) 5.944 4.009 ( 0.149 0.000 -0.000) 0.149 4.446 ( -2.434 -0.000 0.000) 2.434 4.466 ( -2.275 -0.000 0.000) 2.275 4.768 ( 2.060 0.000 -0.000) 2.060 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 0.010 -1.890) 1.890 1.295 ( 0.000 -3.579 -1.211) 3.778 1.375 ( 0.000 0.533 -5.361) 5.388 1.921 ( -0.000 8.806 -0.478) 8.819 1.932 ( -0.000 -3.198 1.322) 3.460 2.986 ( -0.000 16.496 0.247) 16.498 3.795 ( -0.000 0.452 -0.073) 0.458 3.904 ( -0.000 2.163 0.359) 2.193 4.073 ( -0.000 0.562 1.535) 1.635 4.262 ( -0.000 -3.225 3.917) 5.074 4.426 ( 0.000 0.007 -5.547) 5.547 5.164 ( 0.000 -6.250 -2.251) 6.643 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.037 -0.282 -1.472) 1.822 1.239 ( 0.488 -4.256 -2.706) 5.067 1.371 ( 0.305 0.670 -2.286) 2.402 1.905 ( -0.111 -1.119 2.145) 2.422 2.068 ( 7.157 5.909 -0.886) 9.323 3.126 ( -0.222 11.086 0.059) 11.089 3.814 ( 1.353 0.722 -0.034) 1.534 3.909 ( -1.845 1.713 -0.554) 2.578 4.124 ( 4.566 -0.107 0.628) 4.610 4.231 ( -1.271 -2.694 1.882) 3.523 4.439 ( 1.082 3.448 -2.913) 4.642 5.049 ( -4.714 -6.272 -1.490) 7.986 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.701 -0.852 0.008) 1.902 1.240 ( 3.081 -0.329 -0.219) 3.106 1.387 ( 1.180 0.520 -0.231) 1.310 1.909 ( 0.718 -0.644 1.999) 2.219 2.285 ( 11.647 4.926 -0.982) 12.684 3.201 ( -1.245 6.185 0.196) 6.312 3.841 ( 0.378 -0.166 1.623) 1.675 3.865 ( -3.842 1.291 -4.373) 5.963 4.167 ( -2.685 -0.643 -0.125) 2.764 4.243 ( 8.491 -1.712 0.060) 8.662 4.496 ( 1.098 3.502 -0.081) 3.671 4.889 ( -6.408 -4.087 -0.556) 7.621 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.320 -0.665 0.025) 0.738 1.315 ( 3.364 1.730 0.591) 3.829 1.412 ( 0.821 -0.282 1.176) 1.462 1.923 ( 0.496 -0.151 1.063) 1.183 2.564 ( 14.813 4.103 -0.105) 15.372 3.201 ( -4.037 2.133 0.135) 4.568 3.779 ( -3.849 -0.167 -3.787) 5.402 3.836 ( -0.906 -0.802 0.594) 1.348 4.107 ( -3.167 -0.121 0.064) 3.170 4.402 ( 9.909 -0.441 -0.100) 9.919 4.529 ( -0.177 1.059 1.059) 1.508 4.758 ( -5.433 -0.882 -0.541) 5.531 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.136 -0.000 0.000) 0.136 1.373 ( 1.616 0.000 -0.000) 1.616 1.399 ( -2.086 -0.000 0.000) 2.086 1.924 ( -0.595 -0.000 0.000) 0.595 2.852 ( 14.003 0.000 -0.000) 14.003 3.094 ( -8.948 -0.000 0.000) 8.948 3.737 ( -0.009 -0.000 0.000) 0.009 3.822 ( 0.995 0.000 -0.000) 0.995 4.058 ( -2.397 -0.000 0.000) 2.397 4.525 ( -0.968 -0.000 0.000) 0.968 4.537 ( 3.334 0.000 -0.000) 3.334 4.683 ( -0.984 -0.000 0.000) 0.984 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.000 -0.249 -1.542) 1.562 1.153 ( 0.000 -6.046 -4.726) 7.674 1.363 ( 0.000 -0.190 -1.359) 1.372 1.898 ( -0.000 -1.398 1.857) 2.324 2.055 ( -0.000 4.747 -0.714) 4.800 3.220 ( -0.000 6.725 -0.106) 6.725 3.802 ( 0.000 0.329 -0.293) 0.441 3.946 ( -0.000 1.468 0.632) 1.598 4.096 ( -0.000 0.953 0.631) 1.143 4.223 ( -0.000 -2.294 1.667) 2.835 4.468 ( 0.000 5.830 -2.624) 6.393 5.018 ( 0.000 -6.826 -1.026) 6.903 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 1.450 -0.620 -0.157) 1.585 1.144 ( 4.738 -2.236 -2.190) 5.678 1.366 ( 0.979 -0.113 -0.534) 1.121 1.897 ( 0.527 -0.514 1.064) 1.294 2.149 ( 6.746 2.274 -0.598) 7.144 3.264 ( -0.433 3.002 -0.022) 3.034 3.831 ( 2.290 0.528 0.491) 2.401 3.929 ( -3.208 0.625 -0.636) 3.330 4.127 ( 2.871 0.188 0.014) 2.877 4.198 ( -1.233 -1.141 0.462) 1.742 4.522 ( 0.241 4.127 -0.876) 4.226 4.927 ( -2.994 -4.286 -0.313) 5.238 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.435 0.000 -0.000) 1.435 1.235 ( 6.056 0.000 -0.000) 6.056 1.390 ( 1.654 0.000 -0.000) 1.654 1.910 ( 0.915 0.000 -0.000) 0.915 2.331 ( 12.624 0.000 -0.000) 12.624 3.263 ( -1.578 -0.000 0.000) 1.578 3.852 ( -5.055 -0.000 0.000) 5.055 3.859 ( -0.393 -0.000 0.000) 0.393 4.159 ( -2.630 -0.000 0.000) 2.630 4.225 ( 8.559 0.000 -0.000) 8.559 4.540 ( -0.165 -0.000 0.000) 0.165 4.840 ( -4.470 -0.000 0.000) 4.470 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 0.000 0.000) 0.000 1.079 ( -0.000 0.000 0.000) 0.000 1.355 ( -0.000 0.000 0.000) 0.000 1.891 ( -0.000 0.000 0.000) 0.000 2.101 ( -0.000 0.000 -0.000) 0.000 3.282 ( -0.000 0.000 0.000) 0.000 3.805 ( -0.000 0.000 0.000) 0.000 3.964 ( -0.000 0.000 0.000) 0.000 4.111 ( -0.000 0.000 0.000) 0.000 4.201 ( -0.000 0.000 0.000) 0.000 4.546 ( -0.000 0.000 0.000) 0.000 4.925 ( -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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -0.000 0.000 19.780) 19.780 0.188 ( -0.000 0.000 19.780) 19.780 0.299 ( -0.000 0.000 31.700) 31.700 1.333 ( 0.000 -0.000 -0.923) 0.923 1.333 ( 0.000 -0.000 -0.923) 0.923 2.884 ( 0.000 -0.000 -4.684) 4.684 3.693 ( -0.000 0.000 0.510) 0.510 3.693 ( -0.000 0.000 0.510) 0.510 3.926 ( 0.000 -0.000 -0.593) 0.593 3.926 ( 0.000 -0.000 -0.593) 0.593 4.872 ( -0.000 0.000 0.993) 0.993 5.775 ( 0.000 -0.000 -0.172) 0.172 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.247 ( 8.993 5.192 4.662) 11.382 0.264 ( 7.720 4.457 6.396) 10.972 0.851 ( 22.094 12.756 19.342) 32.015 1.348 ( 1.379 0.796 -0.779) 1.772 1.425 ( 6.074 3.507 -3.152) 7.689 2.206 ( -11.123 -6.422 15.282) 19.962 3.701 ( 0.583 0.337 0.399) 0.783 3.922 ( -0.449 -0.259 -0.203) 0.557 3.937 ( 1.624 0.938 -0.862) 2.064 4.541 ( 14.580 8.418 -29.964) 34.369 4.888 ( 0.146 0.084 1.824) 1.832 5.550 ( -10.098 -5.830 5.943) 13.087 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 11.379 6.570 -5.520) 14.252 0.517 ( 12.649 7.303 -1.598) 14.693 1.262 ( 7.540 4.353 7.355) 11.397 1.396 ( 3.061 1.767 -0.464) 3.565 1.677 ( 16.974 9.800 2.575) 19.769 2.102 ( -2.031 -1.172 1.673) 2.880 3.721 ( 1.048 0.605 0.053) 1.212 3.906 ( -0.796 -0.460 0.131) 0.929 3.998 ( 3.554 2.052 0.440) 4.127 4.622 ( 1.398 0.807 -10.611) 10.734 4.831 ( -6.969 -4.024 7.479) 10.986 5.365 ( -5.948 -3.434 -5.960) 9.093 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 10.349 5.975 -9.342) 15.168 0.794 ( 11.013 6.358 -2.724) 13.005 1.339 ( 0.036 0.021 -0.077) 0.087 1.498 ( 5.991 3.459 -0.116) 6.919 2.040 ( 5.421 3.130 -3.797) 7.321 2.179 ( 14.401 8.314 5.169) 17.413 3.748 ( 1.217 0.703 -0.371) 1.454 3.890 ( -0.580 -0.335 0.382) 0.771 4.095 ( 4.005 2.312 1.516) 4.867 4.564 ( -8.961 -5.174 3.143) 10.814 4.650 ( -4.942 -2.853 1.197) 5.830 5.231 ( -3.610 -2.084 -9.980) 10.816 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 9.527 5.500 -9.932) 14.821 0.993 ( 6.635 3.831 -2.653) 8.108 1.307 ( -1.850 -1.068 -2.380) 3.198 1.678 ( 9.202 5.313 -0.227) 10.628 2.092 ( 1.706 0.985 -0.737) 2.103 2.572 ( 15.497 8.947 0.946) 17.919 3.774 ( 1.102 0.636 -0.407) 1.336 3.884 ( -0.011 -0.007 0.371) 0.371 4.128 ( -5.674 -3.276 -1.412) 6.702 4.303 ( -7.743 -4.470 6.955) 11.327 4.625 ( 0.812 0.469 -1.094) 1.441 5.125 ( -3.170 -1.830 -7.779) 8.597 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.314 1.913 -2.046) 4.339 1.115 ( 6.870 3.967 -6.875) 10.498 1.277 ( 1.854 1.071 -2.708) 3.452 1.898 ( 9.088 5.247 -0.717) 10.518 2.106 ( -1.140 -0.658 1.591) 2.065 2.883 ( 11.014 6.359 -0.667) 12.735 3.796 ( 0.783 0.452 0.041) 0.905 3.839 ( -13.312 -7.686 -1.426) 15.438 3.890 ( 0.432 0.249 0.126) 0.514 4.273 ( -0.273 -0.158 1.692) 1.721 4.669 ( 2.958 1.708 0.441) 3.444 5.034 ( -3.109 -1.795 -4.186) 5.515 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.537 0.888 -1.440) 2.286 1.153 ( -0.160 -0.092 -2.306) 2.314 1.438 ( 10.137 5.853 -4.040) 12.383 2.030 ( -5.800 -3.349 1.986) 6.985 2.071 ( 5.574 3.218 -0.896) 6.499 3.079 ( 5.778 3.336 0.018) 6.672 3.591 ( -6.871 -3.967 0.140) 7.935 3.809 ( 0.307 0.177 0.389) 0.527 3.902 ( 0.461 0.266 0.067) 0.537 4.264 ( -0.565 -0.326 -0.206) 0.684 4.756 ( 4.170 2.407 0.366) 4.829 4.949 ( -3.568 -2.060 -1.690) 4.453 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.773 0.446 -0.356) 0.961 1.165 ( 0.364 0.210 -0.888) 0.982 1.608 ( 2.489 1.437 -3.811) 4.773 1.902 ( -2.481 -1.432 0.435) 2.898 2.140 ( 0.330 0.190 -0.530) 0.652 3.153 ( 0.430 0.248 1.316) 1.406 3.536 ( 1.343 0.775 4.980) 5.216 3.812 ( -0.178 -0.103 0.295) 0.360 3.910 ( 0.098 0.056 0.287) 0.309 4.254 ( -0.100 -0.058 -0.737) 0.746 4.840 ( -2.622 -1.514 0.289) 3.042 4.872 ( 2.840 1.639 -1.191) 3.489 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.717 -0.414 -0.197) 0.851 1.188 ( 1.913 1.105 1.504) 2.673 1.502 ( -7.696 -4.443 1.876) 9.082 1.962 ( 5.116 2.953 -4.617) 7.497 2.082 ( -5.117 -2.954 0.156) 5.911 3.105 ( -5.237 -3.023 2.686) 6.616 3.664 ( 7.411 4.279 7.533) 11.401 3.805 ( -0.412 -0.238 0.019) 0.476 3.907 ( -0.469 -0.271 0.452) 0.706 4.250 ( -0.121 -0.070 -1.453) 1.459 4.728 ( -4.637 -2.677 -2.660) 5.978 4.987 ( 5.236 3.023 2.112) 6.404 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -2.224 -1.284 0.933) 2.732 1.222 ( -1.223 -0.706 4.033) 4.273 1.363 ( -3.812 -2.201 5.607) 7.128 1.913 ( -9.088 -5.247 0.785) 10.523 2.044 ( 3.012 1.739 -4.734) 5.874 2.914 ( -12.031 -6.946 2.376) 14.094 3.795 ( -0.415 -0.240 -0.004) 0.479 3.891 ( -0.870 -0.502 0.187) 1.022 3.906 ( 11.111 6.415 5.373) 13.910 4.225 ( -1.707 -0.985 -2.798) 3.422 4.634 ( -2.138 -1.235 -3.252) 4.083 5.122 ( 5.375 3.103 4.411) 7.615 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -5.196 -3.000 3.049) 6.730 1.129 ( -7.343 -4.240 9.266) 12.560 1.356 ( -0.034 -0.020 2.847) 2.848 1.689 ( -9.634 -5.562 0.917) 11.162 2.082 ( 1.305 0.754 -1.884) 2.413 2.560 ( -18.275 -10.551 -0.229) 21.103 3.783 ( -0.732 -0.423 0.435) 0.951 3.873 ( -0.465 -0.268 -0.652) 0.844 4.154 ( -3.260 -1.882 -3.418) 5.085 4.192 ( 12.115 6.995 0.619) 14.003 4.616 ( 1.199 0.692 -1.838) 2.301 5.260 ( 4.957 2.862 5.538) 7.965 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -9.785 -5.649 6.692) 13.131 0.958 ( -10.119 -5.842 12.058) 16.790 1.320 ( -4.059 -2.343 -1.479) 4.914 1.500 ( -6.285 -3.629 0.189) 7.260 2.082 ( -18.902 -10.913 -1.140) 21.856 2.099 ( -2.041 -1.179 -1.421) 2.753 3.760 ( -1.409 -0.814 0.746) 1.790 3.872 ( 0.663 0.383 -1.337) 1.540 4.067 ( -3.279 -1.893 -1.593) 4.108 4.456 ( 10.733 6.197 -5.115) 13.408 4.670 ( 3.356 1.938 1.015) 4.006 5.382 ( 3.906 2.255 4.963) 6.706 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -12.441 -7.183 10.980) 18.082 0.731 ( -12.748 -7.360 13.231) 19.793 1.094 ( -15.935 -9.200 -6.973) 19.677 1.395 ( -2.959 -1.709 -0.557) 3.462 1.643 ( -13.541 -7.818 -1.435) 15.701 2.092 ( -0.640 -0.370 1.286) 1.484 3.728 ( -1.399 -0.808 0.621) 1.731 3.891 ( 1.183 0.683 -1.335) 1.910 3.996 ( -2.534 -1.463 0.012) 2.925 4.646 ( 7.357 4.248 -11.001) 13.900 4.772 ( 4.323 2.496 4.940) 7.023 5.470 ( 2.510 1.449 3.338) 4.421 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -0.000 21.799 -4.874) 22.338 0.548 ( -0.000 12.627 15.934) 20.330 0.768 ( -0.000 17.443 23.570) 29.322 1.334 ( 0.000 1.277 -1.841) 2.240 1.420 ( 0.000 7.017 -2.703) 7.519 2.259 ( -0.000 -15.357 14.052) 20.816 3.709 ( -0.000 0.973 0.808) 1.265 3.902 ( 0.000 -1.293 -1.332) 1.856 3.945 ( 0.000 2.072 -0.745) 2.202 4.410 ( 0.000 17.452 -27.808) 32.831 4.889 ( -0.000 -0.161 1.711) 1.719 5.602 ( -0.000 -9.124 4.426) 10.141 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -7.466 13.275 13.252) 20.188 0.612 ( 0.601 21.735 -4.822) 22.272 1.177 ( 11.097 7.792 11.521) 17.793 1.376 ( 2.720 3.255 -0.502) 4.272 1.562 ( 8.587 11.887 0.081) 14.664 2.139 ( -3.423 -4.443 3.559) 6.642 3.720 ( -0.016 1.135 0.777) 1.375 3.892 ( 0.784 -1.620 -1.081) 2.099 3.981 ( 1.598 2.936 0.029) 3.343 4.517 ( 5.673 1.787 -14.610) 15.774 4.874 ( -1.352 -4.038 3.904) 5.777 5.450 ( -7.875 -4.783 -1.451) 9.328 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.882 9.885 7.808) 12.628 0.836 ( 2.868 17.822 -6.979) 19.354 1.315 ( 2.160 -0.249 0.576) 2.249 1.474 ( 2.925 5.941 0.242) 6.627 1.935 ( 12.630 12.160 -0.589) 17.542 2.105 ( 3.188 2.401 2.243) 4.578 3.738 ( 0.483 0.939 0.764) 1.303 3.888 ( 0.571 -0.952 -0.640) 1.282 4.061 ( 3.347 3.167 1.359) 4.804 4.550 ( 2.783 -2.320 -6.611) 7.538 4.755 ( -7.607 -7.907 6.872) 12.947 5.264 ( -6.793 -2.288 -8.051) 10.780 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 5.647 6.540 0.357) 8.648 1.014 ( 2.294 12.276 -5.794) 13.767 1.309 ( -0.759 -1.750 -2.169) 2.888 1.620 ( 5.627 8.436 -0.054) 10.140 2.058 ( 2.481 1.250 -2.225) 3.560 2.423 ( 14.289 12.501 1.950) 19.086 3.756 ( 0.626 0.140 0.510) 0.820 3.891 ( 0.232 0.683 -0.482) 0.867 4.143 ( 1.593 1.390 0.717) 2.232 4.471 ( -11.313 -5.917 5.335) 13.837 4.586 ( 0.650 -3.082 -2.034) 3.749 5.124 ( -3.406 -2.976 -8.334) 9.482 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 7.318 4.124 -2.150) 8.671 1.131 ( 1.295 7.738 -4.028) 8.820 1.269 ( -0.485 -0.414 -2.454) 2.536 1.826 ( 7.099 8.867 -0.353) 11.364 2.103 ( 1.567 0.467 0.453) 1.697 2.766 ( 11.289 9.861 -0.351) 14.993 3.755 ( -0.140 -2.645 -0.118) 2.651 3.905 ( -0.259 2.003 -0.389) 2.056 4.051 ( -11.755 -1.359 -0.740) 11.856 4.299 ( -3.305 -0.543 2.759) 4.340 4.613 ( 3.941 -0.832 -0.577) 4.069 5.026 ( -1.490 -4.090 -4.925) 6.573 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 4.332 1.415 -2.366) 5.134 1.166 ( -0.810 1.120 -1.586) 2.103 1.339 ( 6.117 6.075 -2.323) 8.929 1.995 ( 3.316 1.385 0.600) 3.643 2.125 ( -0.654 5.132 -0.155) 5.176 3.008 ( 7.229 5.850 0.111) 9.300 3.654 ( -5.470 -5.638 -1.074) 7.929 3.881 ( -5.049 2.979 2.453) 6.355 3.934 ( -1.995 4.776 -1.432) 5.370 4.268 ( -0.862 -0.833 -0.349) 1.248 4.688 ( 4.914 0.144 -0.404) 4.932 4.952 ( -1.181 -4.315 -1.642) 4.765 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.374 0.048 -2.081) 2.494 1.167 ( 0.054 1.146 -0.401) 1.215 1.511 ( 7.016 2.736 -3.184) 8.176 1.944 ( -4.059 -4.342 1.258) 6.076 2.200 ( -1.354 9.029 -1.477) 9.249 3.137 ( 2.785 1.736 1.480) 3.600 3.553 ( -1.254 -0.360 2.946) 3.222 3.859 ( -2.779 3.076 2.273) 4.728 3.950 ( -1.793 4.773 -0.785) 5.159 4.248 ( -0.034 -0.935 -0.965) 1.344 4.782 ( 5.940 -0.001 -0.900) 6.008 4.874 ( -2.728 -4.141 -0.493) 4.983 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.548 0.259 -1.160) 1.952 1.175 ( 0.055 0.676 0.759) 1.019 1.538 ( -1.877 -5.017 -2.213) 5.796 1.891 ( 1.753 0.063 -1.430) 2.263 2.208 ( -6.346 6.101 -0.975) 8.857 3.154 ( -1.824 -1.315 2.546) 3.397 3.623 ( 4.728 3.707 6.837) 9.102 3.847 ( -2.630 2.437 1.838) 4.029 3.960 ( -2.476 4.993 -0.092) 5.574 4.242 ( 0.431 -0.540 -1.265) 1.441 4.762 ( -4.054 -4.484 -2.416) 6.510 4.896 ( 6.851 -0.060 0.877) 6.908 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -1.649 -1.467 0.462) 2.255 1.213 ( 2.240 0.073 2.013) 3.012 1.422 ( -3.880 -3.937 2.215) 5.955 1.934 ( 2.672 -1.609 -3.299) 4.540 2.106 ( -9.142 3.262 -1.007) 9.758 3.052 ( -8.323 -3.706 2.738) 9.514 3.792 ( 5.279 2.193 6.987) 9.027 3.833 ( -1.016 3.397 -0.701) 3.614 3.975 ( -1.713 6.763 1.826) 7.212 4.233 ( -0.670 -0.407 -2.147) 2.286 4.642 ( -3.082 -3.766 -3.652) 6.084 5.028 ( 7.867 -0.502 2.660) 8.320 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -3.772 -6.062 3.720) 8.050 1.225 ( -1.796 -0.777 2.677) 3.315 1.374 ( -0.777 -0.115 3.513) 3.600 1.841 ( -10.043 -2.175 0.462) 10.286 2.047 ( 1.111 0.825 -3.028) 3.330 2.793 ( -16.558 -5.675 1.241) 17.548 3.796 ( -1.483 -0.825 2.311) 2.867 3.881 ( -0.549 1.460 -1.892) 2.452 4.124 ( 6.717 9.928 3.598) 12.515 4.189 ( -2.953 -0.274 -3.069) 4.267 4.579 ( 0.902 -2.225 -2.974) 3.822 5.172 ( 7.919 -0.695 3.620) 8.735 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -6.597 -11.089 7.256) 14.804 1.166 ( -5.995 0.900 3.471) 6.986 1.360 ( -2.292 -0.788 0.753) 2.538 1.632 ( -10.862 -1.157 0.886) 10.959 2.078 ( 1.917 -0.004 -1.178) 2.250 2.379 ( -23.060 -6.319 -0.841) 23.925 3.766 ( -0.984 -1.782 1.241) 2.384 3.872 ( -0.609 1.101 -1.742) 2.149 4.114 ( -3.864 -0.459 -1.452) 4.153 4.359 ( 7.882 8.794 -1.369) 11.889 4.606 ( 4.340 -0.969 -0.598) 4.487 5.306 ( 6.910 -0.917 2.738) 7.489 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -8.758 -13.518 9.911) 18.912 1.033 ( -11.885 -0.165 1.278) 11.955 1.260 ( -8.472 -1.101 0.009) 8.543 1.468 ( -6.944 -0.312 0.421) 6.963 1.901 ( -23.011 -3.775 -1.053) 23.342 2.095 ( 0.257 -0.257 0.069) 0.369 3.737 ( -0.817 -1.341 0.723) 1.728 3.878 ( 0.586 0.950 -1.157) 1.608 4.042 ( -3.660 -0.260 -0.115) 3.671 4.551 ( 6.376 6.101 -6.165) 10.764 4.700 ( 6.469 -0.326 3.366) 7.300 5.406 ( 5.240 -1.571 0.215) 5.475 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 19.704 -6.107) 20.628 0.866 ( -0.000 9.866 10.565) 14.455 1.200 ( -0.000 11.184 14.162) 18.046 1.373 ( 0.000 4.248 -1.845) 4.631 1.625 ( -0.000 16.030 0.302) 16.033 2.129 ( -0.000 -4.471 1.078) 4.599 3.740 ( -0.000 1.529 0.596) 1.641 3.864 ( 0.000 -1.417 -1.353) 1.959 3.990 ( 0.000 2.552 -0.656) 2.635 4.440 ( 0.000 1.024 -9.999) 10.052 4.845 ( -0.000 -6.128 3.340) 6.980 5.467 ( 0.000 -4.993 -2.878) 5.763 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -6.746 11.534 7.648) 15.396 0.968 ( 0.066 15.000 -3.456) 15.393 1.301 ( -0.260 2.509 2.252) 3.382 1.484 ( 4.012 6.696 0.863) 7.853 1.900 ( 8.013 18.659 0.793) 20.323 2.091 ( 0.649 -0.170 -0.357) 0.760 3.758 ( -0.209 1.949 1.360) 2.386 3.851 ( 0.913 -1.532 -1.641) 2.423 4.044 ( 2.826 2.837 0.391) 4.023 4.444 ( 3.080 -2.307 -5.143) 6.423 4.764 ( -2.108 -8.963 3.568) 9.875 5.348 ( -6.598 -3.100 -5.724) 9.269 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -4.210 9.884 7.041) 12.845 1.098 ( 0.452 11.464 -5.071) 12.544 1.297 ( -0.930 -0.730 -1.774) 2.132 1.631 ( 4.033 9.335 0.154) 10.171 2.031 ( 1.196 1.599 -2.402) 3.124 2.343 ( 11.715 16.366 1.531) 20.184 3.770 ( -1.002 1.192 1.610) 2.240 3.868 ( 2.527 -0.042 -1.718) 3.056 4.129 ( 2.667 2.503 1.239) 3.861 4.457 ( 3.361 -3.910 -1.978) 5.522 4.612 ( -5.785 -8.655 2.751) 10.767 5.168 ( -7.593 -2.612 -7.117) 10.730 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.243 8.351 4.245) 9.372 1.184 ( 0.030 6.674 -2.957) 7.300 1.263 ( -0.433 -0.129 -3.233) 3.264 1.816 ( 5.251 9.824 -0.050) 11.139 2.078 ( 2.532 1.899 0.684) 3.238 2.692 ( 10.155 13.381 -0.884) 16.821 3.755 ( -1.588 -0.681 0.564) 1.818 3.912 ( 1.786 1.849 -2.193) 3.379 4.153 ( -2.336 -0.397 -0.276) 2.386 4.406 ( -7.013 -2.913 2.332) 7.944 4.517 ( 4.401 -2.442 -0.201) 5.038 5.005 ( -4.235 -4.406 -5.518) 8.234 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 1.251 5.927 2.356) 6.500 1.186 ( -1.190 -0.370 -0.698) 1.429 1.317 ( 3.202 6.134 -2.060) 7.219 1.963 ( 2.817 2.048 1.050) 3.637 2.174 ( 2.789 8.653 0.368) 9.099 2.952 ( 7.136 8.383 -0.606) 11.025 3.688 ( -4.132 -2.473 -1.679) 5.100 3.945 ( 0.107 2.214 -1.832) 2.875 4.068 ( -5.309 1.840 0.317) 5.628 4.300 ( -4.366 0.426 0.258) 4.394 4.594 ( 5.117 -0.732 0.110) 5.170 4.903 ( -0.351 -5.633 -2.220) 6.065 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.250 1.726 -0.677) 1.871 1.180 ( 0.026 1.566 0.494) 1.642 1.441 ( 4.282 3.816 -0.239) 5.741 1.959 ( -1.836 -3.427 1.648) 4.223 2.324 ( 0.287 13.124 -1.530) 13.216 3.106 ( 3.828 3.040 1.260) 5.048 3.591 ( -3.104 -0.156 -0.648) 3.174 3.943 ( -2.223 2.005 1.179) 3.217 4.054 ( -1.829 6.162 -0.287) 6.434 4.241 ( -2.259 -0.761 -0.705) 2.486 4.669 ( 4.920 -1.402 -1.679) 5.384 4.851 ( 0.256 -4.785 0.160) 4.795 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 0.893 0.640 -1.087) 1.545 1.196 ( -0.745 1.663 0.747) 1.969 1.494 ( 0.628 -2.547 -1.605) 3.075 1.891 ( -1.928 -1.434 0.578) 2.471 2.399 ( -5.678 10.982 -1.784) 12.491 3.162 ( 0.662 -0.477 2.497) 2.627 3.611 ( 2.754 3.908 3.381) 5.856 3.926 ( -2.511 1.900 1.816) 3.635 4.091 ( -3.435 8.893 0.456) 9.544 4.207 ( 0.979 -2.608 -1.061) 2.981 4.715 ( 3.251 -5.002 -3.060) 6.705 4.814 ( 0.751 -1.907 0.930) 2.251 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.745 0.575 -1.081) 1.433 1.189 ( -0.559 -0.579 2.206) 2.348 1.430 ( -1.857 -4.008 -0.882) 4.504 1.879 ( 0.986 -0.250 -1.112) 1.507 2.330 ( -10.992 5.744 -1.014) 12.444 3.136 ( -3.529 -1.793 2.339) 4.598 3.757 ( 5.301 5.515 4.682) 8.969 3.904 ( -2.588 2.097 0.714) 3.407 4.106 ( -4.241 7.281 2.099) 8.684 4.217 ( 1.698 -0.199 -1.520) 2.288 4.638 ( -2.692 -5.848 -3.518) 7.336 4.878 ( 7.137 -2.121 1.130) 7.530 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -4.384 -3.612 2.538) 6.222 1.215 ( 1.940 -0.460 0.703) 2.114 1.386 ( -0.269 -0.864 0.779) 1.194 1.893 ( 0.885 -0.719 -1.350) 1.768 2.155 ( -11.675 1.807 -0.418) 11.822 3.000 ( -10.675 -2.493 1.197) 11.027 3.828 ( -1.861 -0.896 3.166) 3.780 3.927 ( -0.571 5.783 -2.082) 6.173 4.136 ( 1.607 2.779 3.296) 4.601 4.240 ( -1.120 5.590 -1.375) 5.865 4.532 ( -0.925 -4.937 -3.157) 5.932 5.005 ( 9.367 -2.727 1.491) 9.869 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -7.064 -5.822 4.331) 10.127 1.226 ( -0.761 -0.216 0.436) 0.904 1.379 ( -0.618 -0.630 -0.474) 1.002 1.820 ( -9.561 -0.457 0.248) 9.575 2.047 ( -0.310 0.505 -0.694) 0.912 2.714 ( -19.061 -2.200 -0.106) 19.188 3.779 ( -2.101 -1.617 1.189) 2.905 3.918 ( -3.191 2.501 -1.562) 4.344 4.161 ( -1.337 -0.694 0.178) 1.517 4.344 ( 3.851 9.043 0.043) 9.828 4.505 ( 3.672 -3.898 -1.146) 5.476 5.148 ( 9.228 -2.357 0.172) 9.526 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -9.831 -4.596 4.565) 11.773 1.167 ( -5.985 -1.884 -1.721) 6.506 1.340 ( -2.326 -0.360 -1.915) 3.034 1.624 ( -10.662 -0.469 0.391) 10.680 2.071 ( 1.191 0.224 -1.396) 1.848 2.319 ( -23.759 0.738 0.744) 23.782 3.744 ( -0.932 -0.598 0.862) 1.404 3.890 ( -1.297 0.965 -0.578) 1.716 4.111 ( -3.738 0.397 0.522) 3.795 4.494 ( 5.572 3.888 -1.584) 6.976 4.569 ( 6.797 -2.186 1.595) 7.316 5.269 ( 7.307 -2.143 -3.032) 8.196 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -0.000 3.864 3.032) 4.911 1.068 ( 0.000 13.384 -4.137) 14.009 1.379 ( -0.000 2.400 3.940) 4.613 1.506 ( -0.000 9.390 0.072) 9.390 2.021 ( 0.000 8.488 -2.529) 8.856 2.102 ( -0.000 13.572 1.915) 13.706 3.773 ( -0.000 1.265 0.372) 1.319 3.839 ( 0.000 -0.059 -0.940) 0.942 4.033 ( -0.000 1.796 0.086) 1.798 4.388 ( 0.000 -2.264 -0.981) 2.467 4.691 ( 0.000 -9.988 1.343) 10.077 5.357 ( 0.000 -3.322 -5.848) 6.726 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.411 4.046 1.564) 4.963 1.179 ( 0.313 9.003 -3.319) 9.601 1.345 ( -4.237 0.803 -0.631) 4.359 1.656 ( 4.061 9.796 0.286) 10.608 2.021 ( 0.519 -0.456 -1.986) 2.102 2.382 ( 5.693 21.908 1.191) 22.667 3.810 ( 2.720 0.663 -0.205) 2.807 3.818 ( -2.062 1.026 0.026) 2.303 4.095 ( 4.068 1.817 0.859) 4.537 4.371 ( 1.186 -3.520 0.727) 3.785 4.579 ( -1.406 -9.370 -0.315) 9.480 5.250 ( -6.025 -3.033 -5.911) 8.969 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.781 4.740 1.771) 5.120 1.238 ( -1.233 3.597 -0.296) 3.814 1.284 ( -1.974 2.416 -4.069) 5.127 1.828 ( 4.179 8.723 0.157) 9.673 2.055 ( 3.180 1.952 1.301) 3.952 2.693 ( 6.455 17.328 -1.107) 18.524 3.790 ( -1.887 0.462 -0.362) 1.977 3.870 ( 2.807 0.906 -1.544) 3.329 4.171 ( 0.877 1.072 0.475) 1.464 4.372 ( 3.988 -4.489 0.756) 6.052 4.474 ( -1.395 -4.566 0.240) 4.780 5.068 ( -8.390 -3.423 -5.057) 10.377 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.934 5.302 3.360) 6.346 1.200 ( -2.471 -0.940 0.375) 2.670 1.328 ( 1.709 5.611 -2.261) 6.286 1.941 ( 2.131 1.427 1.564) 3.004 2.200 ( 5.840 9.685 1.455) 11.403 2.936 ( 5.059 11.106 -1.490) 12.295 3.742 ( -3.887 0.082 -2.157) 4.446 3.914 ( 2.974 -0.138 -3.835) 4.855 4.135 ( -3.410 -1.080 0.090) 3.578 4.386 ( -1.092 0.302 0.205) 1.152 4.495 ( 5.409 -0.598 2.455) 5.970 4.883 ( -5.674 -4.604 -3.361) 8.043 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.769 -0.560 0.072) 1.857 1.212 ( -0.113 4.640 2.690) 5.365 1.420 ( 2.862 3.479 0.975) 4.609 1.955 ( -0.373 -2.075 2.122) 2.991 2.424 ( 4.548 14.142 0.188) 14.856 3.081 ( 2.951 4.278 -0.152) 5.200 3.655 ( -4.392 0.873 -3.417) 5.633 3.951 ( 2.775 -0.374 -4.127) 4.987 4.078 ( -1.348 -1.330 1.797) 2.611 4.358 ( -5.413 4.654 1.587) 7.313 4.583 ( 3.848 -0.500 -0.254) 3.889 4.782 ( 0.602 -4.989 -1.085) 5.141 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.611 0.081 -0.096) 0.624 1.246 ( -1.519 3.631 1.831) 4.341 1.466 ( 0.295 -1.431 0.495) 1.543 1.916 ( -1.994 -1.411 1.133) 2.692 2.599 ( -2.354 14.213 -0.964) 14.438 3.136 ( 1.942 -1.103 1.626) 2.763 3.629 ( 0.263 3.887 -0.312) 3.909 3.966 ( 0.212 0.066 -2.754) 2.763 4.083 ( 3.648 -3.134 1.331) 4.990 4.310 ( -6.793 6.899 2.319) 9.956 4.613 ( 2.043 -2.730 -2.610) 4.294 4.772 ( 2.113 -3.067 0.220) 3.730 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.948 0.422 -0.248) 1.067 1.239 ( -3.275 1.450 1.896) 4.052 1.418 ( -1.565 -3.410 -0.760) 3.828 1.882 ( -1.183 -0.090 0.410) 1.255 2.589 ( -10.870 7.830 -0.997) 13.433 3.152 ( 0.601 -1.631 1.816) 2.514 3.740 ( 4.899 6.518 2.479) 8.522 3.950 ( -1.067 0.406 -2.351) 2.614 4.120 ( 3.925 -5.038 0.213) 6.390 4.297 ( -4.551 9.313 3.208) 10.850 4.580 ( 0.217 -6.074 -3.255) 6.895 4.784 ( 2.179 -1.483 0.153) 2.640 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -2.624 -0.145 0.520) 2.679 1.176 ( -0.123 -1.357 1.211) 1.823 1.380 ( -0.166 -0.703 0.017) 0.722 1.874 ( 0.226 0.135 0.304) 0.402 2.408 ( -14.202 2.165 -0.107) 14.366 3.115 ( -4.267 -1.144 0.598) 4.458 3.853 ( -0.211 0.190 1.297) 1.328 3.968 ( 2.240 6.306 -2.705) 7.218 4.111 ( 1.173 -4.647 0.272) 4.800 4.350 ( -2.120 9.353 3.091) 10.076 4.486 ( -1.454 -7.203 -2.639) 7.808 4.838 ( 6.159 -1.730 -0.078) 6.398 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -6.366 -1.862 1.775) 6.866 1.210 ( 1.927 -0.148 -0.421) 1.978 1.375 ( -0.318 -0.488 -0.828) 1.013 1.893 ( 0.321 0.782 1.070) 1.363 2.174 ( -12.533 0.136 0.339) 12.538 2.970 ( -11.465 -0.537 -0.598) 11.493 3.806 ( -2.399 -1.709 -1.392) 3.258 4.002 ( -3.707 1.473 -1.609) 4.302 4.127 ( 3.898 -1.183 0.281) 4.083 4.388 ( -0.533 -3.431 -0.116) 3.475 4.430 ( 0.425 4.952 1.341) 5.148 4.961 ( 9.159 -1.022 -1.371) 9.317 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -8.088 0.658 0.355) 8.123 1.214 ( -1.690 -1.022 -0.860) 2.154 1.344 ( -0.895 -1.191 -3.920) 4.193 1.817 ( -10.555 0.094 -0.076) 10.555 2.063 ( -0.606 1.052 0.872) 1.495 2.708 ( -18.213 1.781 -0.716) 18.314 3.758 ( -0.978 -0.368 -0.816) 1.326 3.934 ( -3.174 -0.657 -0.074) 3.242 4.158 ( 0.111 -0.133 -0.167) 0.240 4.363 ( 4.605 -7.715 1.897) 9.183 4.517 ( 2.211 5.572 0.250) 6.000 5.104 ( 8.305 -0.345 -4.296) 9.357 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 0.690 -1.287) 1.461 1.254 ( 0.000 7.229 -2.769) 7.741 1.378 ( 0.000 -2.247 -3.838) 4.447 1.719 ( -0.000 10.673 0.069) 10.673 1.993 ( 0.000 -2.010 -0.724) 2.137 2.575 ( -0.000 23.069 0.871) 23.086 3.789 ( -0.000 0.228 0.332) 0.403 3.858 ( -0.000 2.165 -0.441) 2.210 4.066 ( -0.000 0.878 2.068) 2.247 4.337 ( -0.000 -3.248 1.495) 3.576 4.496 ( 0.000 -7.802 -2.015) 8.058 5.253 ( 0.000 -3.684 -5.215) 6.385 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.639 0.671 -1.672) 1.912 1.295 ( -1.536 0.946 0.321) 1.832 1.317 ( -0.820 1.262 -6.937) 7.099 1.851 ( 2.676 8.329 -0.030) 8.749 2.003 ( 3.605 -0.578 1.404) 3.912 2.811 ( 1.655 19.250 -0.504) 19.328 3.799 ( 0.594 0.314 -0.846) 1.081 3.871 ( -0.870 2.106 0.320) 2.301 4.127 ( 4.619 0.368 1.752) 4.954 4.295 ( -0.540 -4.119 -1.587) 4.447 4.435 ( 0.593 -3.420 0.347) 3.488 5.147 ( -5.574 -4.067 -4.191) 8.074 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 2.646 0.728 -0.007) 2.744 1.247 ( -1.316 -0.621 -0.228) 1.473 1.347 ( 0.958 3.755 -2.172) 4.442 1.929 ( 1.100 0.733 2.146) 2.520 2.154 ( 8.983 6.658 0.410) 11.189 3.002 ( 1.326 13.292 -1.084) 13.402 3.800 ( -1.948 1.597 -2.497) 3.547 3.865 ( 0.028 -0.424 -1.442) 1.504 4.178 ( -1.792 -0.309 -0.201) 1.830 4.284 ( 6.983 -3.154 -2.037) 7.928 4.454 ( 1.955 0.769 3.142) 3.780 4.969 ( -8.263 -3.851 -2.739) 9.519 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.202 -1.417 0.036) 1.432 1.264 ( 0.960 3.308 1.568) 3.784 1.408 ( 2.311 2.239 1.152) 3.417 1.945 ( 0.417 -1.300 2.344) 2.713 2.416 ( 10.740 9.776 0.358) 14.527 3.111 ( -0.352 6.793 -0.743) 6.843 3.735 ( -4.731 1.459 -5.447) 7.361 3.871 ( 1.959 -1.625 -1.547) 2.979 4.118 ( -3.191 -0.775 0.562) 3.331 4.400 ( 6.400 0.520 -0.825) 6.474 4.515 ( 2.600 0.698 2.743) 3.843 4.791 ( -6.678 -2.704 -1.532) 7.366 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.485 -0.719 0.013) 0.867 1.313 ( -0.325 3.735 1.357) 3.987 1.449 ( 0.552 -1.530 1.692) 2.347 1.934 ( -0.873 -1.003 1.203) 1.793 2.706 ( 8.029 12.316 0.805) 14.724 3.116 ( -2.286 -0.565 -0.351) 2.381 3.675 ( -1.910 3.118 -3.511) 5.069 3.882 ( 2.878 -3.524 -2.311) 5.104 4.068 ( -1.957 -0.775 1.901) 2.836 4.470 ( -1.749 4.304 2.074) 5.088 4.564 ( 1.846 -1.196 -0.950) 2.396 4.700 ( 0.352 -2.188 -0.807) 2.359 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.039 -0.103 0.027) 0.113 1.328 ( -3.053 2.826 1.682) 4.487 1.407 ( -1.255 -3.593 -0.204) 3.811 1.908 ( -1.483 -0.289 0.502) 1.592 2.850 ( -8.284 9.558 -0.070) 12.648 3.081 ( 4.576 -4.587 0.593) 6.506 3.733 ( 3.512 5.778 0.561) 6.785 3.890 ( 3.882 -3.922 -4.587) 7.176 4.044 ( -0.236 -1.768 2.811) 3.329 4.471 ( -4.212 6.201 3.549) 8.294 4.528 ( -1.421 -4.041 -2.950) 5.201 4.729 ( 3.154 -1.075 -0.551) 3.377 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.150 0.007 -0.037) 1.151 1.253 ( -5.425 -1.335 0.899) 5.658 1.385 ( -0.333 0.706 0.795) 1.114 1.885 ( -0.919 -0.076 0.659) 1.134 2.675 ( -14.132 0.402 0.385) 14.143 3.130 ( 1.550 -0.827 -0.165) 1.765 3.822 ( 2.551 -3.253 -1.341) 4.346 3.962 ( 4.964 6.838 -3.873) 9.295 4.034 ( 1.111 -3.746 2.483) 4.629 4.428 ( -1.992 -7.042 -1.884) 7.557 4.493 ( -2.454 7.057 3.698) 8.337 4.763 ( 2.085 -0.121 -0.993) 2.312 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -4.853 -0.508 0.098) 4.880 1.170 ( 1.591 0.025 0.031) 1.592 1.389 ( -1.081 1.134 0.908) 1.811 1.890 ( 1.003 0.635 1.798) 2.155 2.414 ( -14.443 -1.783 0.424) 14.558 3.100 ( -4.218 -0.151 -0.930) 4.322 3.791 ( 0.522 -4.336 -4.828) 6.510 4.006 ( 0.740 -5.501 1.195) 5.678 4.086 ( 0.922 5.228 -2.303) 5.787 4.321 ( -0.331 -7.753 0.119) 7.761 4.541 ( -2.190 7.233 2.866) 8.082 4.825 ( 5.570 1.111 -1.379) 5.845 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( -5.951 2.299 -1.181) 6.488 1.201 ( 1.637 -0.448 -0.848) 1.897 1.358 ( -3.122 -0.079 -2.044) 3.732 1.931 ( -0.293 1.714 2.208) 2.811 2.165 ( -10.680 -1.356 0.591) 10.782 2.973 ( -10.480 1.501 -1.450) 10.686 3.749 ( 0.673 -1.872 -4.388) 4.818 3.955 ( -0.770 -4.525 0.718) 4.646 4.085 ( 0.962 -4.891 -1.945) 5.351 4.277 ( 0.622 -3.350 1.998) 3.950 4.577 ( -1.653 5.836 1.661) 6.289 4.958 ( 7.612 1.859 -3.184) 8.458 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 0.000 0.020 -2.002) 2.002 1.257 ( 0.000 -5.520 -6.938) 8.866 1.337 ( 0.000 2.853 -2.337) 3.688 1.915 ( -0.000 8.598 -0.701) 8.627 1.953 ( -0.000 -2.705 2.937) 3.993 2.983 ( -0.000 16.452 -0.920) 16.477 3.794 ( 0.000 0.296 -0.097) 0.311 3.907 ( -0.000 2.446 0.236) 2.458 4.085 ( -0.000 -0.443 1.008) 1.102 4.264 ( 0.000 -2.090 -4.172) 4.666 4.410 ( -0.000 -0.695 2.873) 2.956 5.138 ( 0.000 -5.166 -3.313) 6.137 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 1.676 0.134 -0.822) 1.871 1.203 ( 2.247 -4.100 -4.616) 6.570 1.356 ( 0.516 1.616 -1.164) 2.057 1.928 ( -0.126 -1.091 2.754) 2.964 2.061 ( 7.071 5.398 -0.528) 8.912 3.121 ( -0.125 11.367 -1.189) 11.430 3.812 ( 1.174 1.158 -0.430) 1.704 3.902 ( -2.856 1.391 -0.909) 3.304 4.119 ( 4.742 -0.865 -1.858) 5.166 4.223 ( -1.691 -1.019 -2.945) 3.546 4.446 ( 1.579 2.347 4.116) 4.994 5.032 ( -4.528 -5.305 -2.120) 7.290 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.686 -0.882 0.247) 1.919 1.232 ( 4.472 -0.082 -1.316) 4.662 1.390 ( 1.912 0.910 0.869) 2.289 1.929 ( 0.639 -1.415 2.061) 2.580 2.277 ( 11.866 4.918 -0.538) 12.856 3.198 ( -1.090 6.505 -0.865) 6.652 3.811 ( -3.756 1.746 -6.099) 7.372 3.864 ( -1.127 0.595 2.321) 2.648 4.166 ( -2.803 -0.524 -0.148) 2.856 4.228 ( 9.162 -1.011 -2.777) 9.627 4.512 ( 1.172 2.335 3.098) 4.053 4.883 ( -6.263 -3.408 -0.760) 7.170 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.306 -0.675 -0.011) 0.741 1.313 ( 3.563 1.348 -0.798) 3.892 1.427 ( 1.061 -1.131 1.930) 2.476 1.931 ( 0.378 -1.007 0.600) 1.232 2.565 ( 15.184 4.086 0.305) 15.727 3.199 ( -4.066 2.264 -0.681) 4.703 3.735 ( -3.507 2.396 -4.973) 6.540 3.851 ( -1.582 -0.718 2.156) 2.769 4.111 ( -2.907 -0.320 0.602) 2.986 4.393 ( 10.160 -0.024 -1.634) 10.291 4.540 ( -0.131 0.075 1.275) 1.284 4.757 ( -5.596 -0.522 0.228) 5.625 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.133 -0.023 -0.004) 0.135 1.369 ( 1.893 -0.088 -0.806) 2.059 1.400 ( -2.221 -1.742 0.216) 2.831 1.922 ( -0.489 -0.618 -0.306) 0.845 2.852 ( 13.870 -1.031 -0.092) 13.909 3.093 ( -8.718 0.688 -0.176) 8.747 3.742 ( 0.824 4.020 0.924) 4.206 3.818 ( -0.239 -0.882 -0.664) 1.129 4.064 ( -2.162 -0.681 1.047) 2.497 4.514 ( -1.805 -2.451 -1.573) 3.426 4.536 ( 4.669 1.240 -0.489) 4.855 4.690 ( -1.434 0.833 1.343) 2.134 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.065 0.106 -0.015) 0.125 1.304 ( -3.065 -4.043 -0.745) 5.128 1.410 ( 0.096 2.560 0.048) 2.562 1.901 ( -1.025 -0.472 -0.173) 1.142 2.852 ( -6.746 -9.446 0.103) 11.607 3.072 ( 3.139 3.824 -0.312) 4.957 3.736 ( -0.035 -4.889 0.511) 4.915 3.930 ( 6.273 8.826 -0.763) 10.855 4.024 ( -1.513 -1.779 1.256) 2.651 4.409 ( -4.107 -6.005 -2.302) 7.630 4.585 ( -0.285 3.163 2.222) 3.876 4.727 ( 2.391 1.285 -0.451) 2.752 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.929 0.016 -0.131) 0.939 1.218 ( -3.003 -1.782 -0.184) 3.497 1.436 ( -0.656 3.113 1.186) 3.395 1.885 ( -0.013 -0.297 0.713) 0.772 2.605 ( -11.034 -7.276 0.577) 13.230 3.125 ( 0.503 0.674 -0.887) 1.222 3.687 ( 1.494 -6.131 -3.006) 6.990 3.975 ( -1.535 -3.266 0.701) 3.676 4.113 ( 3.329 7.171 -1.101) 7.983 4.261 ( -2.879 -8.456 -0.128) 8.933 4.634 ( 0.192 5.245 1.889) 5.578 4.773 ( 2.011 1.571 -0.721) 2.652 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -1.535 0.704 -2.116) 2.708 1.170 ( -0.095 -0.183 0.600) 0.635 1.440 ( -3.843 3.645 0.281) 5.305 1.916 ( 3.070 0.464 2.509) 3.992 2.340 ( -11.497 -5.492 -0.112) 12.742 3.103 ( -3.713 1.120 -0.933) 3.989 3.652 ( 3.028 -5.338 -5.298) 8.108 3.912 ( -1.143 -4.559 1.434) 4.914 4.075 ( -4.471 -5.326 -1.442) 7.102 4.241 ( 2.231 0.032 0.763) 2.358 4.679 ( -2.243 5.574 0.773) 6.057 4.858 ( 5.643 2.220 -0.844) 6.122 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 0.188 -0.786) 0.808 1.109 ( 0.000 -4.318 -4.259) 6.065 1.357 ( 0.000 0.308 -0.103) 0.325 1.919 ( -0.000 -2.363 2.657) 3.555 2.049 ( -0.000 4.922 -0.511) 4.949 3.212 ( -0.000 7.110 -1.547) 7.277 3.800 ( 0.000 0.352 -0.105) 0.367 3.949 ( -0.000 1.435 0.060) 1.436 4.068 ( 0.000 1.274 -6.440) 6.565 4.223 ( 0.000 -0.922 -1.125) 1.455 4.483 ( -0.000 4.465 5.427) 7.027 5.005 ( 0.000 -6.068 -1.570) 6.268 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 1.756 -0.685 -0.132) 1.890 1.128 ( 5.078 -0.326 -0.945) 5.176 1.370 ( 1.140 0.055 1.162) 1.628 1.908 ( 0.450 -1.625 1.385) 2.183 2.146 ( 6.687 2.640 -0.077) 7.190 3.257 ( -0.314 3.422 -1.395) 3.708 3.827 ( 1.642 0.651 -1.502) 2.319 3.923 ( -3.254 1.123 -0.444) 3.471 4.097 ( 3.894 1.274 -5.819) 7.116 4.199 ( -1.456 -0.673 0.066) 1.605 4.544 ( -0.143 2.945 5.052) 5.849 4.921 ( -2.807 -3.797 -0.841) 4.796 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.481 -0.057 -0.146) 1.489 1.230 ( 5.550 0.489 -0.809) 5.630 1.400 ( 1.541 -0.633 1.925) 2.546 1.909 ( 0.802 -0.988 -0.186) 1.286 2.335 ( 12.628 0.457 0.779) 12.661 3.258 ( -1.522 0.214 -1.215) 1.959 3.805 ( -3.074 1.713 -5.640) 6.648 3.897 ( -1.999 0.097 3.895) 4.379 4.162 ( -2.611 -0.049 0.608) 2.682 4.208 ( 9.245 1.018 -3.249) 9.852 4.556 ( -0.969 -0.780 3.181) 3.416 4.839 ( -4.286 0.086 -0.201) 4.292 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.343 0.691 -0.010) 0.772 1.303 ( 3.386 -1.821 -1.897) 4.287 1.406 ( -0.017 -0.980 -0.172) 0.995 1.911 ( 0.547 -0.576 -1.311) 1.533 2.567 ( 14.205 -4.291 0.447) 14.846 3.196 ( -3.719 -1.817 -0.886) 4.233 3.793 ( -0.181 5.121 -0.656) 5.166 3.851 ( -3.515 -1.422 3.530) 5.181 4.110 ( -3.279 -0.192 0.622) 3.343 4.393 ( 10.252 1.212 -2.067) 10.529 4.523 ( -1.676 -2.197 0.083) 2.765 4.766 ( -4.684 1.089 1.024) 4.917 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.522 0.823 0.039) 0.975 1.281 ( -0.363 -5.095 -1.855) 5.434 1.412 ( 1.288 0.943 -1.936) 2.509 1.907 ( -0.199 -0.116 -1.500) 1.518 2.688 ( 7.985 -11.968 -0.911) 14.416 3.124 ( -2.470 0.368 0.395) 2.528 3.759 ( -4.950 -2.521 4.825) 7.358 3.918 ( 5.013 7.913 1.338) 9.462 4.049 ( -2.975 -1.160 0.036) 3.194 4.429 ( -4.538 -4.555 -1.739) 6.661 4.553 ( 6.057 1.397 -2.205) 6.596 4.731 ( -0.962 1.954 2.119) 3.039 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.341 0.468 0.329) 0.666 1.221 ( -0.576 -3.423 -0.735) 3.548 1.448 ( 2.194 1.278 -1.257) 2.833 1.894 ( -0.899 0.450 -1.076) 1.472 2.608 ( -1.043 -13.379 -0.069) 13.420 3.121 ( 0.554 0.702 0.044) 0.895 3.660 ( -4.099 -3.096 2.667) 5.788 3.981 ( -2.553 -2.664 -0.609) 3.740 4.097 ( 5.518 5.424 2.047) 8.004 4.269 ( -6.236 -5.797 -1.645) 8.672 4.643 ( 3.569 2.460 0.030) 4.335 4.769 ( 0.961 2.771 0.189) 2.938 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.269 0.466 -0.000) 0.538 1.187 ( -0.690 -1.195 -0.000) 1.380 1.509 ( 1.928 3.339 -0.000) 3.855 1.885 ( 0.138 0.240 -0.000) 0.277 2.418 ( -6.082 -10.534 -0.000) 12.164 3.137 ( 0.262 0.454 -0.000) 0.525 3.579 ( -1.842 -3.190 -0.000) 3.683 3.905 ( -2.108 -3.651 -0.000) 4.216 4.090 ( -4.422 -7.660 -0.000) 8.845 4.218 ( 1.762 3.052 -0.000) 3.524 4.746 ( 2.985 5.170 -0.000) 5.970 4.803 ( 0.920 1.593 0.000) 1.839 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.000 2.106 1.682) 2.695 1.084 ( -0.000 0.486 0.969) 1.084 1.364 ( -0.000 0.051 1.913) 1.914 1.893 ( -0.000 -1.134 0.386) 1.198 2.103 ( -0.000 0.306 0.336) 0.455 3.275 ( 0.000 0.556 -1.452) 1.555 3.806 ( -0.000 0.099 0.280) 0.297 3.960 ( 0.000 -0.147 -0.733) 0.748 4.063 ( 0.000 2.729 -9.357) 9.747 4.205 ( -0.000 -0.617 0.585) 0.850 4.580 ( -0.000 -1.221 6.588) 6.700 4.922 ( 0.000 0.644 -0.714) 0.962 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.818 1.069 0.905) 1.622 1.164 ( 3.684 3.107 1.901) 5.181 1.381 ( 0.846 -0.045 2.672) 2.803 1.888 ( 0.422 -0.403 -0.744) 0.946 2.157 ( 6.962 -1.997 1.036) 7.317 3.257 ( -0.474 -2.577 -1.373) 2.958 3.820 ( 0.614 -0.051 -1.907) 2.004 3.935 ( -1.482 -0.311 0.604) 1.630 4.093 ( 4.107 2.138 -6.708) 8.150 4.196 ( -0.992 0.166 0.331) 1.059 4.557 ( -0.537 -5.107 5.982) 7.884 4.927 ( -3.102 4.875 -0.217) 5.782 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.412 1.060 0.486) 1.831 1.237 ( 1.744 0.412 -0.872) 1.993 1.394 ( 0.155 -0.844 1.154) 1.438 1.892 ( 0.583 0.056 -1.662) 1.762 2.295 ( 11.354 -5.169 1.219) 12.535 3.195 ( -1.154 -5.691 -1.210) 5.932 3.825 ( 0.715 2.557 -1.615) 3.107 3.900 ( -2.346 -1.916 2.829) 4.145 4.169 ( -2.685 0.413 0.209) 2.725 4.226 ( 9.443 2.436 -3.248) 10.278 4.514 ( -0.442 -4.506 3.546) 5.751 4.893 ( -6.328 4.682 0.195) 7.874 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 0.386 1.388 0.278) 1.467 1.220 ( -0.358 -4.445 -2.794) 5.263 1.389 ( 0.584 -0.625 -0.812) 1.180 1.899 ( 0.528 0.669 -2.161) 2.323 2.410 ( 9.740 -10.539 -0.271) 14.353 3.120 ( 0.039 -5.609 0.118) 5.611 3.829 ( -3.472 -2.962 3.797) 5.937 3.914 ( 3.962 5.195 2.766) 7.095 4.110 ( -4.273 0.129 -0.084) 4.276 4.407 ( 7.742 0.764 -1.269) 7.882 4.463 ( -0.963 -2.695 -1.319) 3.151 4.822 ( -5.841 3.914 1.476) 7.185 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -0.566 -2.764 -0.376) 2.846 1.173 ( 0.665 -1.053 -0.916) 1.546 1.399 ( 2.011 -1.222 -1.135) 2.613 1.910 ( 0.010 1.725 -2.403) 2.958 2.418 ( 5.579 -13.575 -0.439) 14.683 3.091 ( 1.896 -4.011 0.841) 4.515 3.743 ( -4.905 -2.024 5.326) 7.518 4.010 ( -2.775 -2.267 0.763) 3.664 4.066 ( 2.562 3.723 1.464) 4.751 4.328 ( -6.013 -3.717 -1.236) 7.177 4.565 ( 6.642 1.104 -2.136) 7.064 4.810 ( -1.404 5.129 1.698) 5.582 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.000 0.454 1.968) 2.020 1.191 ( -0.000 6.390 3.038) 7.076 1.387 ( -0.000 0.396 3.831) 3.852 1.885 ( 0.000 0.831 -0.925) 1.244 2.062 ( 0.000 -4.703 0.821) 4.774 3.214 ( 0.000 -6.321 -1.378) 6.469 3.805 ( -0.000 -0.391 0.307) 0.497 3.938 ( 0.000 -1.346 -0.993) 1.672 4.054 ( 0.000 1.961 -8.041) 8.277 4.207 ( 0.000 0.755 -0.858) 1.142 4.519 ( -0.000 -6.312 7.243) 9.607 5.024 ( -0.000 7.481 0.396) 7.492 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.596 0.300 1.657) 1.786 1.252 ( -0.642 3.603 0.247) 3.668 1.398 ( -0.599 -0.247 3.169) 3.234 1.890 ( -0.393 1.105 -0.933) 1.499 2.077 ( 7.268 -6.280 1.015) 9.658 3.120 ( -0.141 -10.624 -1.302) 10.705 3.814 ( 1.390 0.216 0.093) 1.410 3.911 ( -0.969 -2.132 -0.330) 2.365 4.102 ( 5.778 2.311 -4.399) 7.621 4.205 ( -0.933 1.230 -2.051) 2.567 4.487 ( -0.182 -3.954 6.419) 7.541 5.059 ( -4.807 7.011 0.588) 8.521 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.751 -2.080 -0.487) 2.265 1.233 ( -2.828 0.256 -1.211) 3.087 1.382 ( -0.780 -1.117 1.229) 1.835 1.892 ( 0.366 0.485 -1.287) 1.424 2.151 ( 8.261 -8.573 0.004) 11.905 3.012 ( 2.032 -11.986 -0.066) 12.157 3.844 ( -1.061 -2.455 1.567) 3.100 3.891 ( 3.355 0.953 1.370) 3.747 4.176 ( -2.203 0.259 -0.435) 2.261 4.262 ( 8.707 3.571 -3.571) 10.066 4.464 ( -1.402 -1.790 3.532) 4.201 5.008 ( -8.149 5.950 1.137) 10.153 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.302 -6.719 -3.114) 7.412 1.205 ( -1.319 1.610 0.609) 2.169 1.364 ( 0.083 -1.931 1.489) 2.440 1.907 ( 1.215 0.448 -1.765) 2.189 2.178 ( 6.368 -10.575 -0.727) 12.366 2.962 ( 4.990 -10.560 1.108) 11.732 3.788 ( -1.855 -2.713 2.323) 4.025 3.981 ( 3.551 -1.250 2.877) 4.738 4.130 ( -3.558 2.123 -0.388) 4.162 4.387 ( -3.360 -1.739 0.164) 3.787 4.447 ( 6.181 2.443 -2.296) 7.031 4.942 ( -5.940 6.507 2.516) 9.162 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.000 -0.344 1.443) 1.484 1.293 ( 0.000 1.875 -1.117) 2.182 1.420 ( -0.000 -0.038 3.419) 3.419 1.924 ( 0.000 -9.186 0.152) 9.187 1.931 ( -0.000 3.846 1.168) 4.020 2.978 ( 0.000 -16.179 -1.408) 16.240 3.796 ( 0.000 -0.546 0.014) 0.547 3.900 ( 0.000 -1.826 -0.394) 1.868 4.054 ( 0.000 1.573 -2.854) 3.259 4.220 ( 0.000 2.195 -4.067) 4.622 4.488 ( -0.000 -0.747 6.833) 6.874 5.179 ( -0.000 7.004 0.721) 7.041 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.768 -2.375 -0.543) 2.554 1.271 ( -1.915 -1.369 -2.096) 3.152 1.400 ( -1.837 -1.269 1.432) 2.652 1.847 ( 2.237 -8.133 -0.302) 8.440 2.001 ( 2.590 1.288 1.362) 3.197 2.811 ( 2.596 -18.918 -0.544) 19.103 3.824 ( 3.543 -0.153 0.815) 3.638 3.854 ( -2.240 -2.457 -0.546) 3.370 4.123 ( 5.470 -0.014 1.276) 5.617 4.234 ( 0.322 4.865 -5.311) 7.209 4.503 ( -1.287 1.780 4.921) 5.389 5.199 ( -5.460 6.150 0.871) 8.270 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -2.627 -8.196 -4.951) 9.929 1.230 ( -0.489 -0.876 -0.444) 1.097 1.363 ( -1.055 -1.897 2.882) 3.608 1.823 ( 4.202 -8.358 -0.363) 9.362 2.043 ( 1.579 -0.297 0.126) 1.611 2.711 ( 7.348 -17.776 0.613) 19.245 3.789 ( -1.438 -2.602 -0.712) 3.057 3.902 ( 4.351 -0.994 1.803) 4.813 4.163 ( 0.649 -1.591 -0.294) 1.743 4.349 ( 5.379 6.627 -1.065) 8.602 4.492 ( -4.162 2.600 1.477) 5.125 5.139 ( -7.673 5.897 2.058) 9.893 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 -2.909 -1.157) 3.131 1.247 ( 0.000 -4.992 -3.186) 5.922 1.403 ( 0.000 -2.233 -1.369) 2.619 1.708 ( 0.000 -11.159 -0.959) 11.200 2.031 ( -0.000 3.727 2.957) 4.758 2.563 ( 0.000 -23.496 -0.442) 23.500 3.787 ( 0.000 -0.426 0.004) 0.426 3.864 ( 0.000 -1.472 0.301) 1.502 4.072 ( -0.000 -0.495 2.734) 2.779 4.267 ( 0.000 6.049 -4.758) 7.696 4.562 ( -0.000 4.131 3.767) 5.590 5.310 ( -0.000 5.619 0.377) 5.631 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -5.899 -9.275 -6.821) 12.937 1.191 ( 1.537 -4.924 -1.759) 5.450 1.361 ( -0.528 -3.238 0.483) 3.316 1.641 ( 4.328 -10.011 -1.059) 10.958 2.063 ( -0.719 2.077 2.080) 3.026 2.374 ( 6.365 -23.463 0.244) 24.312 3.780 ( -0.660 -2.154 -1.751) 2.854 3.853 ( 1.071 0.382 2.149) 2.431 4.101 ( 2.756 -2.721 1.255) 4.071 4.355 ( 2.941 8.470 -0.340) 8.972 4.597 ( -2.491 5.037 1.122) 5.730 5.316 ( -5.167 4.970 0.600) 7.194 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 -9.074 -6.503) 11.163 1.054 ( 0.000 -10.578 -7.635) 13.046 1.313 ( 0.000 -6.496 -0.530) 6.517 1.502 ( 0.000 -7.828 -0.238) 7.831 2.059 ( 0.000 -22.181 2.470) 22.319 2.098 ( 0.000 -1.728 0.083) 1.730 3.766 ( 0.000 -1.547 -0.558) 1.645 3.859 ( -0.000 0.577 1.314) 1.436 4.051 ( -0.000 -2.695 1.641) 3.155 4.418 ( -0.000 9.072 2.996) 9.554 4.677 ( -0.000 5.776 -0.565) 5.804 5.409 ( -0.000 4.294 -0.903) 4.388 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 0.000 18.923) 18.923 0.370 ( -0.000 0.000 18.923) 18.923 0.595 ( -0.000 0.000 31.294) 31.294 1.320 ( 0.000 -0.000 -1.914) 1.914 1.320 ( 0.000 -0.000 -1.914) 1.914 2.819 ( 0.000 -0.000 -9.131) 9.131 3.700 ( -0.000 0.000 0.984) 0.984 3.700 ( -0.000 0.000 0.984) 0.984 3.917 ( 0.000 -0.000 -1.134) 1.134 3.917 ( 0.000 -0.000 -1.134) 1.134 4.885 ( -0.000 0.000 1.761) 1.761 5.773 ( 0.000 -0.000 -0.317) 0.317 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 2.416 1.395 14.300) 14.570 0.399 ( -1.023 -0.590 19.269) 19.305 1.030 ( 18.025 10.407 18.496) 27.844 1.337 ( 1.631 0.942 -1.587) 2.463 1.397 ( 7.157 4.132 -2.761) 8.713 2.319 ( -16.404 -9.471 7.890) 20.519 3.707 ( 0.421 0.243 0.945) 1.063 3.917 ( -0.235 -0.136 -0.948) 0.986 3.929 ( 2.037 1.176 -0.795) 2.483 4.288 ( 21.294 12.294 -22.944) 33.630 4.904 ( 0.787 0.454 1.770) 1.989 5.593 ( -11.992 -6.924 3.150) 14.201 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 5.869 3.388 6.393) 9.316 0.535 ( 9.855 5.690 5.413) 12.601 1.310 ( 3.687 2.129 2.764) 5.076 1.389 ( 3.361 1.941 -0.939) 3.993 1.705 ( 17.361 10.024 3.166) 20.296 2.118 ( -3.549 -2.049 1.577) 4.391 3.724 ( 0.790 0.456 0.579) 1.080 3.904 ( -0.564 -0.325 -0.706) 0.960 4.005 ( 4.179 2.413 1.024) 4.933 4.511 ( 5.708 3.296 -12.559) 14.184 4.892 ( -4.227 -2.440 5.403) 7.281 5.318 ( -10.346 -5.973 -4.032) 12.608 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 7.720 4.457 -3.225) 9.480 0.784 ( 9.791 5.653 0.760) 11.331 1.331 ( -0.969 -0.560 -1.582) 1.938 1.497 ( 6.179 3.567 -0.111) 7.135 2.002 ( 5.443 3.142 -4.217) 7.568 2.227 ( 13.419 7.748 4.790) 16.219 3.746 ( 1.013 0.585 0.128) 1.177 3.890 ( -0.378 -0.218 -0.399) 0.592 4.110 ( 3.725 2.150 1.626) 4.598 4.554 ( 0.470 0.271 -4.228) 4.263 4.694 ( -13.142 -7.588 6.999) 16.711 5.137 ( -3.361 -1.940 -9.759) 10.503 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 9.256 5.344 -6.617) 12.571 0.973 ( 6.318 3.648 -1.463) 7.441 1.286 ( -1.903 -1.098 -1.888) 2.897 1.678 ( 9.010 5.202 0.140) 10.404 2.081 ( 2.927 1.690 -1.529) 3.710 2.581 ( 14.396 8.311 1.020) 16.654 3.772 ( 1.103 0.637 -0.065) 1.275 3.886 ( 0.082 0.047 -0.076) 0.121 4.120 ( -6.203 -3.581 -0.208) 7.166 4.362 ( -9.598 -5.541 5.400) 12.329 4.606 ( 2.054 1.186 -2.805) 3.673 5.059 ( -1.806 -1.042 -6.080) 6.427 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 8.147 4.704 -5.716) 11.008 1.078 ( 3.425 1.977 -2.039) 4.450 1.261 ( 1.423 0.822 -0.927) 1.887 1.892 ( 8.820 5.092 -0.447) 10.194 2.113 ( -0.520 -0.300 -0.114) 0.611 2.882 ( 10.961 6.329 0.382) 12.663 3.796 ( 0.926 0.534 -0.016) 1.069 3.837 ( -13.396 -7.734 1.110) 15.508 3.893 ( 0.439 0.254 0.314) 0.597 4.281 ( -1.248 -0.721 -0.030) 1.441 4.666 ( 3.356 1.937 -1.173) 4.048 5.003 ( -2.055 -1.186 -2.236) 3.260 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.913 0.527 -2.840) 3.029 1.130 ( 1.768 1.021 -1.954) 2.826 1.403 ( 9.237 5.333 -3.209) 11.139 2.039 ( -5.582 -3.223 -0.015) 6.445 2.063 ( 5.551 3.205 -0.960) 6.481 3.086 ( 6.049 3.492 1.441) 7.131 3.612 ( -5.661 -3.268 4.351) 7.852 3.812 ( 0.409 0.236 0.134) 0.491 3.905 ( 0.446 0.258 0.654) 0.833 4.257 ( -0.679 -0.392 -1.071) 1.327 4.752 ( 4.396 2.538 -1.272) 5.233 4.937 ( -3.429 -1.980 -0.625) 4.008 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 1.592 0.919 -0.854) 2.027 1.153 ( 0.672 0.388 -1.626) 1.802 1.560 ( 3.479 2.009 -6.185) 7.375 1.906 ( -3.642 -2.103 0.290) 4.216 2.133 ( 0.574 0.332 -0.893) 1.112 3.171 ( 0.808 0.466 2.443) 2.615 3.604 ( 2.437 1.407 9.182) 9.603 3.815 ( -0.220 -0.127 0.264) 0.366 3.914 ( 0.087 0.050 0.745) 0.752 4.244 ( -0.177 -0.102 -1.201) 1.218 4.831 ( -4.675 -2.699 -2.885) 6.121 4.867 ( 4.991 2.882 0.740) 5.811 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.270 -0.156 -1.020) 1.067 1.201 ( 2.726 1.574 1.148) 3.350 1.506 ( -4.795 -2.768 -1.152) 5.655 1.921 ( 3.736 2.157 -3.934) 5.839 2.082 ( -4.748 -2.741 -0.293) 5.490 3.134 ( -5.077 -2.931 3.362) 6.758 3.748 ( 6.750 3.897 10.138) 12.788 3.806 ( -0.518 -0.299 0.196) 0.629 3.912 ( -0.531 -0.306 0.633) 0.881 4.235 ( -0.451 -0.261 -1.711) 1.789 4.696 ( -5.096 -2.942 -4.091) 7.167 5.005 ( 6.159 3.556 1.707) 7.314 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -1.499 -0.865 0.087) 1.733 1.254 ( 0.287 0.166 2.892) 2.911 1.410 ( -3.062 -1.768 4.064) 5.387 1.920 ( -8.790 -5.075 0.557) 10.165 1.997 ( 3.692 2.131 -5.041) 6.602 2.937 ( -12.773 -7.375 2.614) 14.979 3.795 ( -0.402 -0.232 0.038) 0.465 3.894 ( -1.100 -0.635 0.288) 1.302 3.961 ( 8.873 5.123 6.100) 11.924 4.203 ( -1.826 -1.054 -1.766) 2.751 4.597 ( -1.719 -0.992 -4.578) 4.990 5.158 ( 6.070 3.505 2.985) 7.618 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -3.867 -2.233 2.287) 5.017 1.203 ( -5.472 -3.159 6.342) 8.952 1.383 ( -1.459 -0.842 2.723) 3.202 1.699 ( -9.726 -5.616 1.066) 11.281 2.059 ( 2.568 1.483 -2.847) 4.111 2.560 ( -19.510 -11.264 0.146) 22.529 3.786 ( -0.498 -0.288 0.165) 0.598 3.868 ( -0.895 -0.517 -0.463) 1.133 4.108 ( -0.533 -0.308 -4.805) 4.844 4.223 ( 7.267 4.196 4.375) 9.463 4.593 ( 2.278 1.315 -2.958) 3.958 5.299 ( 5.154 2.976 2.709) 6.539 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.000 10.217 7.663) 12.772 0.693 ( -0.000 10.778 14.829) 18.332 0.994 ( -0.000 13.825 23.975) 27.676 1.312 ( 0.000 1.290 -2.992) 3.259 1.396 ( 0.000 7.592 -2.341) 7.945 2.349 ( -0.000 -18.373 4.766) 18.981 3.718 ( -0.000 0.851 1.002) 1.315 3.889 ( 0.000 -1.335 -1.455) 1.975 3.934 ( 0.000 2.583 -1.629) 3.054 4.195 ( 0.000 21.370 -17.906) 27.880 4.906 ( -0.000 0.210 1.869) 1.880 5.628 ( 0.000 -10.392 1.518) 10.503 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 2.500 15.791 0.286) 15.990 0.707 ( -9.834 12.102 15.883) 22.258 1.259 ( 4.519 3.197 5.226) 7.612 1.374 ( 3.530 4.459 0.127) 5.689 1.575 ( 10.928 13.404 3.020) 17.555 2.161 ( -4.631 -6.828 0.881) 8.297 3.729 ( -0.042 1.204 1.136) 1.656 3.880 ( 1.065 -1.760 -1.472) 2.530 3.982 ( 2.340 3.242 0.139) 4.001 4.384 ( 7.318 6.589 -13.347) 16.586 4.906 ( -0.197 -2.774 2.959) 4.060 5.436 ( -9.558 -7.911 -1.460) 12.493 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -2.506 10.550 5.862) 12.327 0.801 ( 1.650 14.636 1.544) 14.809 1.312 ( 1.115 -0.910 -1.187) 1.866 1.474 ( 2.744 6.215 -0.429) 6.807 1.920 ( 8.628 8.797 -2.333) 12.541 2.134 ( 6.273 4.190 3.500) 8.316 3.747 ( 0.099 1.325 1.116) 1.735 3.878 ( 0.973 -1.195 -1.357) 2.054 4.075 ( 3.673 3.182 1.723) 5.156 4.483 ( 4.566 0.297 -7.476) 8.766 4.819 ( -6.352 -8.812 6.808) 12.820 5.188 ( -8.809 -2.817 -8.000) 12.228 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 1.518 8.743 1.826) 9.060 0.972 ( 2.653 10.863 -2.721) 11.509 1.290 ( -0.923 -1.910 -1.828) 2.800 1.620 ( 5.665 8.373 0.132) 10.111 2.036 ( 3.461 2.526 -2.294) 4.860 2.440 ( 13.274 10.992 1.578) 17.307 3.763 ( 0.199 0.569 0.966) 1.139 3.883 ( 0.632 0.243 -1.252) 1.423 4.150 ( 0.619 0.833 0.653) 1.226 4.515 ( -4.086 -4.078 2.973) 6.494 4.567 ( -5.963 -5.185 -1.192) 7.991 5.050 ( -2.415 -1.978 -7.015) 7.678 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 5.195 6.484 0.406) 8.318 1.095 ( 1.671 8.134 -3.506) 9.014 1.253 ( -0.236 -0.788 -1.024) 1.314 1.824 ( 6.926 8.723 -0.047) 11.139 2.103 ( 1.877 1.292 -0.466) 2.326 2.765 ( 11.331 9.384 0.140) 14.713 3.759 ( -0.602 -2.897 0.823) 3.071 3.898 ( 0.361 1.581 -1.088) 1.953 4.051 ( -11.137 -1.434 0.740) 11.253 4.314 ( -4.938 -1.710 0.420) 5.243 4.603 ( 4.272 -0.006 -1.526) 4.536 4.989 ( -0.228 -3.353 -2.746) 4.340 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.042 2.174 -1.186) 3.922 1.150 ( -0.526 2.549 -1.933) 3.242 1.323 ( 5.694 5.994 -1.005) 8.328 1.997 ( 3.681 2.672 -0.050) 4.549 2.119 ( -1.340 4.150 -1.144) 4.508 3.015 ( 7.742 5.963 1.281) 9.856 3.658 ( -4.288 -6.237 1.883) 7.799 3.907 ( -5.435 3.781 2.925) 7.238 3.921 ( -1.190 4.079 -1.423) 4.481 4.259 ( -1.016 -1.022 -1.513) 2.090 4.677 ( 4.781 0.158 -1.942) 5.163 4.943 ( -0.699 -3.868 -0.149) 3.933 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 1.542 0.435 -2.053) 2.604 1.161 ( -0.018 1.889 -0.783) 2.045 1.479 ( 5.336 3.357 -3.630) 7.274 1.951 ( -4.173 -4.016 0.178) 5.794 2.185 ( -1.027 8.753 -1.779) 8.991 3.156 ( 3.027 1.984 2.521) 4.411 3.597 ( 1.062 -1.072 6.254) 6.434 3.884 ( -3.586 4.284 3.166) 6.422 3.942 ( -1.089 4.027 -0.858) 4.259 4.237 ( 0.066 -0.976 -1.413) 1.719 4.764 ( 5.907 -0.537 -3.006) 6.650 4.874 ( -2.745 -3.569 0.551) 4.536 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.689 0.332 -1.781) 2.477 1.181 ( 0.793 1.566 0.426) 1.807 1.507 ( -0.544 -3.103 -4.278) 5.313 1.882 ( 0.003 -0.453 -0.539) 0.704 2.196 ( -5.885 5.955 -1.421) 8.492 3.181 ( -1.634 -1.297 3.201) 3.821 3.691 ( 5.514 1.999 7.333) 9.390 3.874 ( -3.201 2.954 4.109) 5.988 3.958 ( -2.003 5.197 -0.215) 5.573 4.229 ( 0.284 -0.648 -1.509) 1.666 4.731 ( -4.192 -4.645 -4.232) 7.554 4.905 ( 7.092 0.185 1.039) 7.170 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.827 -0.469 -0.632) 1.142 1.232 ( 2.642 0.159 1.855) 3.233 1.434 ( -1.700 -3.397 0.169) 3.803 1.905 ( 2.509 -0.826 -2.539) 3.664 2.096 ( -9.516 3.163 -1.020) 10.080 3.078 ( -8.493 -4.295 2.795) 9.919 3.820 ( 2.121 3.198 -0.396) 3.858 3.861 ( -0.711 -0.581 5.645) 5.719 3.999 ( -0.109 8.258 3.761) 9.075 4.214 ( -0.894 -0.638 -1.872) 2.170 4.601 ( -3.171 -3.464 -5.018) 6.872 5.049 ( 8.574 -0.418 1.706) 8.752 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -2.630 -3.885 2.183) 5.175 1.249 ( -0.788 -1.923 2.501) 3.252 1.399 ( -0.539 -1.322 1.546) 2.104 1.845 ( -8.992 -2.231 0.325) 9.270 2.020 ( 0.713 1.957 -2.604) 3.334 2.804 ( -17.243 -6.418 1.009) 18.427 3.817 ( -2.466 0.582 1.944) 3.193 3.862 ( -0.270 -0.243 -1.883) 1.917 4.138 ( 0.145 7.520 -1.269) 7.628 4.189 ( 2.282 1.070 3.683) 4.463 4.546 ( 1.517 -1.321 -4.098) 4.565 5.196 ( 8.262 -1.124 1.414) 8.457 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 18.312 -3.019) 18.559 0.955 ( -0.000 7.063 8.312) 10.908 1.319 ( -0.000 5.927 9.929) 11.564 1.353 ( 0.000 5.214 -2.482) 5.774 1.645 ( -0.000 17.513 4.286) 18.030 2.126 ( 0.000 -6.435 -1.770) 6.674 3.745 ( -0.000 1.355 0.631) 1.494 3.852 ( 0.000 -1.299 -1.140) 1.728 3.984 ( -0.000 2.894 -0.478) 2.933 4.354 ( 0.000 5.530 -8.226) 9.912 4.876 ( -0.000 -5.653 3.191) 6.492 5.434 ( 0.000 -7.384 -4.003) 8.400 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -1.068 14.890 -3.806) 15.406 0.992 ( -3.961 7.915 6.132) 10.768 1.316 ( -2.504 2.217 0.980) 3.485 1.488 ( 3.719 6.589 -0.213) 7.569 1.907 ( 5.073 14.754 0.558) 15.612 2.091 ( 3.156 2.061 0.650) 3.825 3.770 ( 0.309 2.074 1.267) 2.450 3.835 ( 0.609 -1.578 -1.545) 2.291 4.050 ( 3.475 2.916 0.979) 4.641 4.398 ( 2.766 1.030 -4.655) 5.512 4.799 ( -1.417 -10.050 4.011) 10.914 5.287 ( -7.270 -3.831 -7.013) 10.803 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -3.210 9.488 0.814) 10.049 1.061 ( -0.459 10.301 -1.366) 10.401 1.286 ( -1.704 -0.895 -0.560) 2.005 1.632 ( 4.044 9.477 -0.053) 10.304 2.010 ( 1.942 3.278 -1.859) 4.239 2.357 ( 10.855 14.492 1.366) 18.158 3.784 ( -1.069 0.978 1.455) 2.054 3.850 ( 2.442 -0.087 -1.992) 3.152 4.141 ( 2.460 2.146 1.272) 3.503 4.440 ( 3.915 -1.585 -1.647) 4.534 4.639 ( -5.733 -11.003 3.140) 12.798 5.098 ( -7.626 -1.623 -7.586) 10.879 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.359 8.839 3.865) 9.654 1.151 ( 0.538 8.563 -3.537) 9.280 1.245 ( -0.847 -1.438 -0.777) 1.841 1.816 ( 5.185 9.824 0.094) 11.109 2.084 ( 2.677 3.239 0.621) 4.248 2.684 ( 10.160 12.608 -0.784) 16.211 3.764 ( -1.879 -1.522 1.217) 2.707 3.888 ( 1.900 1.235 -2.839) 3.633 4.151 ( -2.656 -0.599 -0.175) 2.728 4.424 ( -7.671 -4.324 1.511) 8.935 4.515 ( 4.636 -0.675 -0.217) 4.690 4.958 ( -3.023 -3.671 -4.417) 6.490 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.670 6.007 3.701) 7.087 1.179 ( -1.174 0.588 -0.809) 1.542 1.300 ( 4.214 6.951 -1.354) 8.241 1.970 ( 3.074 3.148 0.425) 4.420 2.177 ( 1.713 8.399 0.066) 8.572 2.950 ( 7.955 8.304 0.069) 11.500 3.681 ( -4.139 -3.901 0.243) 5.693 3.924 ( 1.467 1.596 -2.722) 3.480 4.077 ( -4.744 1.874 1.429) 5.297 4.298 ( -5.280 0.992 -0.758) 5.425 4.591 ( 4.155 -0.393 -0.800) 4.249 4.888 ( 0.882 -5.330 -0.899) 5.477 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.381 1.684 0.198) 2.187 1.185 ( -0.295 2.556 0.585) 2.638 1.437 ( 3.511 4.471 -0.654) 5.723 1.970 ( -2.121 -3.071 0.637) 3.787 2.308 ( -0.297 13.256 -1.784) 13.379 3.122 ( 4.591 3.150 2.064) 5.938 3.599 ( -1.194 -1.058 2.275) 2.779 3.946 ( -0.114 1.189 -0.579) 1.328 4.061 ( -2.538 6.166 1.812) 6.910 4.232 ( -2.870 0.225 -1.235) 3.133 4.649 ( 4.318 -1.503 -2.614) 5.266 4.855 ( 0.580 -4.687 0.508) 4.750 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 0.452 1.074 -0.829) 1.430 1.203 ( -0.822 2.327 0.852) 2.611 1.476 ( -0.261 -1.581 -2.362) 2.854 1.897 ( -2.312 -1.495 0.607) 2.820 2.381 ( -5.548 11.222 -2.077) 12.690 3.188 ( 0.840 -0.616 3.005) 3.180 3.649 ( 4.127 2.760 4.641) 6.797 3.941 ( -1.443 0.518 1.079) 1.875 4.101 ( -3.533 9.790 1.932) 10.585 4.196 ( 0.587 -2.165 -1.339) 2.612 4.681 ( 2.653 -4.746 -4.129) 6.828 4.823 ( 1.149 -2.200 0.905) 2.642 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.880 1.005 -1.171) 1.777 1.208 ( -0.247 0.012 1.947) 1.962 1.419 ( -1.193 -3.140 -1.267) 3.591 1.874 ( 0.112 -0.081 0.021) 0.140 2.319 ( -10.660 6.203 -1.243) 12.396 3.159 ( -3.697 -2.507 2.389) 5.065 3.791 ( 4.990 4.830 2.634) 7.427 3.913 ( -2.249 -0.205 1.021) 2.479 4.131 ( -3.569 7.322 3.271) 8.777 4.204 ( 1.117 0.815 -1.233) 1.853 4.600 ( -2.874 -5.374 -4.524) 7.590 4.887 ( 7.449 -2.353 0.785) 7.851 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.232 -2.293 1.711) 4.316 1.223 ( 1.886 -1.481 0.939) 2.576 1.389 ( 0.043 -1.208 -0.247) 1.234 1.886 ( 0.676 0.021 -0.025) 0.677 2.152 ( -11.754 2.258 -0.225) 11.971 3.009 ( -10.985 -3.340 0.693) 11.502 3.847 ( -1.902 -2.195 0.907) 3.043 3.907 ( -0.931 5.324 -2.040) 5.777 4.164 ( 1.948 -0.586 2.368) 3.122 4.237 ( -1.759 8.786 1.125) 9.031 4.500 ( -0.729 -3.758 -3.753) 5.360 5.013 ( 9.543 -3.396 0.151) 10.131 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 13.890 -5.154) 14.816 1.065 ( -0.000 1.765 0.553) 1.849 1.401 ( -0.000 -0.139 0.442) 0.463 1.506 ( -0.000 10.019 -0.166) 10.020 1.992 ( 0.000 3.731 -3.565) 5.160 2.133 ( -0.000 17.217 4.545) 17.806 3.778 ( -0.000 1.287 0.804) 1.517 3.830 ( 0.000 -0.004 -1.050) 1.050 4.040 ( -0.000 2.293 1.483) 2.731 4.378 ( 0.000 0.238 -1.142) 1.167 4.708 ( 0.000 -11.968 2.315) 12.190 5.293 ( 0.000 -3.062 -7.642) 8.233 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.787 3.846 -2.768) 5.064 1.142 ( 0.705 8.622 -4.068) 9.559 1.339 ( -3.916 -0.898 -0.862) 4.109 1.656 ( 4.059 9.864 -0.296) 10.670 2.005 ( 1.307 1.241 -1.329) 2.239 2.397 ( 4.728 20.313 1.823) 20.936 3.801 ( 0.726 -0.702 -0.766) 1.267 3.826 ( -0.233 2.362 0.620) 2.453 4.109 ( 3.807 1.981 1.975) 4.724 4.375 ( 0.943 -2.377 0.192) 2.564 4.582 ( -1.090 -11.215 0.791) 11.295 5.188 ( -5.985 -1.973 -7.186) 9.558 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.294 4.458 -0.668) 4.689 1.215 ( 0.233 7.453 -3.974) 8.449 1.267 ( -2.861 -1.096 0.082) 3.065 1.829 ( 4.323 8.922 -0.052) 9.914 2.068 ( 3.685 2.882 1.494) 4.911 2.683 ( 5.909 16.806 -0.954) 17.840 3.787 ( -1.297 -0.494 -0.061) 1.389 3.856 ( 1.142 0.864 -1.581) 2.133 4.174 ( 0.045 0.686 -0.014) 0.688 4.377 ( 4.373 -5.750 0.531) 7.243 4.483 ( -0.729 -3.434 1.476) 3.808 5.019 ( -8.035 -2.232 -5.346) 9.905 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.259 2.806 2.130) 4.185 1.209 ( -3.057 0.757 1.511) 3.493 1.306 ( 2.824 7.337 -2.393) 8.218 1.953 ( 2.358 2.589 1.010) 3.645 2.213 ( 5.432 9.128 1.405) 10.714 2.923 ( 5.378 11.182 -1.234) 12.470 3.725 ( -4.210 -1.845 -1.328) 4.785 3.880 ( 2.374 -0.076 -3.375) 4.128 4.135 ( -2.663 -0.747 -0.063) 2.766 4.389 ( -0.194 -0.084 0.409) 0.460 4.516 ( 4.042 0.104 1.820) 4.434 4.854 ( -4.872 -3.984 -2.808) 6.892 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.605 -0.866 0.106) 1.827 1.237 ( -0.669 4.454 2.525) 5.164 1.428 ( 2.994 4.451 0.566) 5.394 1.972 ( -0.660 -1.834 1.311) 2.349 2.425 ( 3.753 14.404 0.002) 14.885 3.082 ( 3.940 4.210 0.319) 5.775 3.632 ( -3.151 -0.380 -1.366) 3.455 3.914 ( 2.936 -0.648 -3.657) 4.734 4.096 ( -0.934 -0.889 1.830) 2.239 4.371 ( -5.402 5.496 1.228) 7.804 4.577 ( 2.434 -0.538 -1.061) 2.709 4.774 ( 1.590 -5.076 -0.538) 5.346 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.736 0.094 0.050) 0.744 1.265 ( -1.748 3.808 2.055) 4.667 1.467 ( -0.576 -1.188 -0.324) 1.359 1.925 ( -2.200 -1.484 0.865) 2.791 2.589 ( -3.067 14.716 -1.162) 15.077 3.154 ( 2.741 -1.492 2.014) 3.714 3.634 ( 2.058 3.175 1.379) 4.027 3.936 ( 1.765 -1.451 -3.501) 4.180 4.100 ( 2.278 -2.172 1.842) 3.647 4.331 ( -6.848 8.016 2.204) 10.771 4.588 ( 1.542 -2.793 -2.489) 4.046 4.772 ( 2.337 -3.354 -0.226) 4.095 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.710 0.599 -0.179) 0.946 1.259 ( -3.283 1.663 2.339) 4.360 1.412 ( -1.614 -2.903 -0.590) 3.373 1.888 ( -1.341 -0.139 0.935) 1.641 2.580 ( -10.786 8.539 -0.915) 13.787 3.170 ( 0.528 -2.508 1.798) 3.130 3.762 ( 5.429 6.034 2.107) 8.386 3.923 ( 0.094 -1.903 -3.382) 3.881 4.121 ( 2.581 -3.858 -0.109) 4.643 4.330 ( -4.386 9.797 3.783) 11.381 4.552 ( -0.088 -5.615 -2.703) 6.232 4.783 ( 2.466 -1.948 -0.479) 3.179 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.506 0.879 -0.227) 1.039 1.194 ( -3.165 -2.633 2.499) 4.816 1.383 ( -0.293 -0.288 0.480) 0.632 1.883 ( 0.160 0.502 1.375) 1.472 2.408 ( -14.096 2.609 0.105) 14.336 3.119 ( -4.514 -1.982 0.258) 4.937 3.854 ( -0.916 -2.480 -1.324) 2.957 3.941 ( 2.893 6.536 -2.964) 7.738 4.111 ( 1.665 -4.179 -0.136) 4.500 4.382 ( -2.888 9.385 3.464) 10.413 4.466 ( -1.434 -5.913 -1.539) 6.276 4.833 ( 6.302 -2.369 -0.872) 6.789 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.000 0.309 -2.271) 2.292 1.207 ( 0.000 7.965 -7.365) 10.848 1.340 ( 0.000 -3.767 -3.795) 5.348 1.717 ( -0.000 10.447 -0.440) 10.457 1.992 ( -0.000 -0.113 0.492) 0.504 2.584 ( -0.000 21.629 0.915) 21.649 3.793 ( -0.000 -0.102 0.424) 0.436 3.854 ( -0.000 2.587 -0.395) 2.617 4.094 ( -0.000 1.234 3.833) 4.027 4.334 ( 0.000 -5.235 -2.067) 5.628 4.492 ( 0.000 -7.313 1.156) 7.404 5.198 ( 0.000 -2.404 -6.368) 6.806 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 1.106 1.062 -2.127) 2.622 1.245 ( 1.207 1.805 -8.170) 8.453 1.293 ( -1.229 0.660 -0.659) 1.543 1.849 ( 3.092 8.767 -0.443) 9.307 2.020 ( 3.367 -0.071 2.134) 3.987 2.805 ( 1.390 18.646 -0.869) 18.718 3.795 ( 0.064 0.303 -0.087) 0.322 3.870 ( -1.097 1.766 -0.366) 2.111 4.150 ( 3.719 -0.086 3.101) 4.843 4.256 ( 0.235 -6.233 -5.789) 8.509 4.459 ( 0.635 -1.962 3.938) 4.445 5.104 ( -5.369 -2.760 -4.848) 7.742 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 3.358 0.882 0.605) 3.524 1.238 ( 0.746 -1.100 -1.777) 2.219 1.327 ( 1.434 5.405 -2.035) 5.951 1.947 ( 1.313 1.871 1.724) 2.863 2.159 ( 9.017 5.499 0.587) 10.578 2.990 ( 1.330 13.469 -1.421) 13.609 3.776 ( -3.171 -0.156 -2.788) 4.225 3.854 ( -0.419 0.496 -0.589) 0.877 4.171 ( -2.250 -0.263 -1.604) 2.775 4.265 ( 8.627 -3.724 -1.440) 9.506 4.490 ( 1.547 0.872 4.155) 4.519 4.942 ( -7.946 -2.689 -2.858) 8.862 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.037 -1.508 0.088) 1.511 1.273 ( 1.870 2.422 0.364) 3.082 1.419 ( 2.938 3.428 1.060) 4.637 1.964 ( 0.146 -1.483 1.741) 2.292 2.419 ( 11.131 9.548 0.317) 14.669 3.103 ( -0.140 7.010 -0.913) 7.070 3.687 ( -4.075 0.198 -4.674) 6.205 3.862 ( 0.596 -0.078 -0.298) 0.671 4.122 ( -2.296 -0.590 0.196) 2.379 4.393 ( 7.564 -0.152 -0.676) 7.596 4.537 ( 1.423 0.602 1.942) 2.482 4.779 ( -6.605 -1.908 -0.999) 6.947 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.458 -0.720 0.015) 0.853 1.323 ( 0.380 2.991 0.735) 3.103 1.461 ( -0.114 -1.563 0.962) 1.839 1.943 ( -1.020 -1.456 0.665) 1.898 2.712 ( 7.792 12.587 0.465) 14.811 3.114 ( -1.682 -0.970 -0.203) 1.952 3.649 ( -0.133 3.136 -1.871) 3.654 3.863 ( 1.107 -2.266 -1.484) 2.926 4.085 ( -1.200 -1.022 1.459) 2.148 4.486 ( 0.054 3.902 1.259) 4.101 4.553 ( 0.134 -1.275 -1.176) 1.740 4.696 ( 0.217 -1.827 -0.206) 1.852 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.029 -0.115 0.021) 0.121 1.344 ( -2.512 2.303 1.695) 3.806 1.405 ( -1.413 -3.732 -0.276) 4.000 1.913 ( -1.296 -0.577 0.576) 1.531 2.850 ( -8.525 10.073 0.037) 13.197 3.086 ( 4.991 -5.438 0.519) 7.399 3.741 ( 4.562 6.617 1.045) 8.105 3.847 ( 1.935 -4.062 -4.100) 6.087 4.066 ( 0.088 -1.986 1.581) 2.541 4.501 ( -3.742 4.968 2.203) 6.598 4.508 ( -1.296 -2.857 -0.647) 3.203 4.720 ( 2.927 -1.130 -1.312) 3.401 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.068 -0.009 -0.053) 1.069 1.265 ( -4.912 -2.361 1.564) 5.670 1.396 ( -0.141 1.276 1.482) 1.960 1.894 ( -0.558 -0.155 1.196) 1.329 2.681 ( -14.220 0.732 0.706) 14.257 3.127 ( 1.546 -1.520 -0.304) 2.190 3.799 ( 1.273 -5.547 -3.484) 6.673 3.933 ( 5.420 8.620 -2.195) 10.416 4.049 ( 0.345 -3.379 0.569) 3.444 4.419 ( -1.610 -6.902 0.102) 7.088 4.527 ( -2.297 6.876 3.331) 7.978 4.750 ( 2.144 -0.125 -1.789) 2.795 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 0.403 -1.732) 1.778 1.180 ( 0.000 -3.600 -8.758) 9.469 1.321 ( 0.000 2.777 -1.593) 3.201 1.908 ( -0.000 8.575 -0.791) 8.611 1.985 ( -0.000 -2.241 3.721) 4.343 2.970 ( -0.000 16.046 -1.836) 16.151 3.793 ( 0.000 0.191 -0.068) 0.202 3.908 ( -0.000 2.550 0.040) 2.550 4.085 ( 0.000 -4.829 -1.769) 5.143 4.213 ( 0.000 0.169 -4.725) 4.729 4.458 ( -0.000 0.004 6.246) 6.246 5.104 ( 0.000 -3.953 -3.875) 5.535 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.424 0.764 0.126) 2.545 1.157 ( 3.624 -3.003 -4.887) 6.785 1.346 ( 0.635 2.743 -0.984) 2.983 1.954 ( -0.271 -0.396 2.661) 2.704 2.059 ( 6.907 4.425 0.235) 8.206 3.105 ( 0.100 11.416 -2.180) 11.623 3.803 ( -0.161 0.757 -1.790) 1.950 3.894 ( -2.767 1.234 -0.649) 3.099 4.084 ( 5.920 -2.622 -5.570) 8.540 4.201 ( -1.343 0.538 -0.952) 1.732 4.499 ( 0.761 2.171 6.422) 6.821 5.010 ( -4.252 -4.290 -2.468) 6.524 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.542 -1.203 0.061) 1.957 1.217 ( 5.281 0.343 -1.741) 5.572 1.401 ( 2.472 1.955 1.479) 3.481 1.947 ( 0.299 -2.196 1.842) 2.882 2.275 ( 11.998 5.125 0.122) 13.047 3.186 ( -0.754 6.623 -1.762) 6.895 3.749 ( -4.237 1.145 -6.824) 8.113 3.887 ( -1.072 1.671 2.611) 3.280 4.156 ( -0.707 0.418 -2.421) 2.556 4.206 ( 8.491 -1.722 -1.152) 8.740 4.547 ( -0.037 1.871 4.125) 4.530 4.875 ( -5.870 -2.742 -0.831) 6.532 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.338 -0.684 -0.068) 0.766 1.302 ( 3.943 0.844 -1.645) 4.355 1.445 ( 0.677 -1.485 1.864) 2.478 1.934 ( 0.191 -1.826 0.055) 1.837 2.570 ( 15.222 4.203 0.731) 15.809 3.189 ( -3.818 2.213 -1.425) 4.637 3.690 ( -1.932 3.456 -4.392) 5.914 3.874 ( -2.606 0.174 2.805) 3.833 4.116 ( -2.604 -0.141 0.267) 2.622 4.374 ( 10.695 -0.357 -2.281) 10.941 4.552 ( -1.249 -0.360 1.374) 1.892 4.761 ( -5.180 -0.120 0.709) 5.230 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.125 -0.036 -0.012) 0.130 1.359 ( 2.519 -0.551 -1.388) 2.928 1.402 ( -2.434 -2.748 0.294) 3.682 1.918 ( -0.210 -1.120 -0.515) 1.250 2.851 ( 13.504 -1.862 -0.109) 13.632 3.091 ( -8.087 1.253 -0.359) 8.192 3.748 ( 2.971 7.473 -0.058) 8.042 3.819 ( -3.193 -1.968 1.501) 4.040 4.072 ( -1.849 -0.913 0.343) 2.090 4.503 ( -2.488 -2.970 -0.636) 3.926 4.525 ( 6.193 0.605 -1.846) 6.491 4.706 ( -2.102 1.511 1.728) 3.112 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.065 0.113 -0.000) 0.131 1.300 ( -2.595 -4.494 -0.000) 5.189 1.410 ( 1.111 1.924 -0.000) 2.222 1.900 ( -0.488 -0.846 -0.000) 0.977 2.853 ( -5.713 -9.895 -0.000) 11.425 3.070 ( 2.343 4.058 -0.000) 4.686 3.739 ( -2.358 -4.084 -0.000) 4.716 3.924 ( 5.661 9.805 0.000) 11.322 4.032 ( -1.146 -1.985 -0.000) 2.292 4.398 ( -3.606 -6.246 -0.000) 7.213 4.596 ( 1.305 2.260 -0.000) 2.610 4.725 ( 1.122 1.944 0.000) 2.244 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 0.771 0.158) 0.787 1.078 ( 0.000 -1.952 -2.322) 3.034 1.358 ( -0.000 1.451 0.232) 1.469 1.947 ( -0.000 -3.463 3.243) 4.744 2.046 ( -0.000 5.197 -0.229) 5.202 3.192 ( 0.000 7.383 -2.667) 7.849 3.801 ( -0.000 0.437 0.168) 0.468 3.947 ( 0.000 1.271 -0.577) 1.395 3.983 ( 0.000 0.348 -11.159) 11.164 4.216 ( 0.000 0.087 -0.218) 0.234 4.550 ( -0.000 4.067 7.987) 8.963 4.989 ( 0.000 -5.353 -1.976) 5.706 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 1.798 -0.538 -0.355) 1.910 1.129 ( 4.400 1.282 0.855) 4.662 1.386 ( 1.404 0.926 2.345) 2.886 1.922 ( 0.167 -2.846 1.567) 3.253 2.148 ( 6.816 3.022 0.506) 7.473 3.239 ( -0.136 3.740 -2.481) 4.490 3.799 ( -1.750 1.020 -4.556) 4.986 3.921 ( -0.576 1.518 0.039) 1.624 4.032 ( 5.834 0.912 -7.388) 9.458 4.202 ( -1.361 -0.224 0.591) 1.501 4.603 ( -1.291 2.708 7.096) 7.704 4.911 ( -2.520 -3.467 -1.288) 4.475 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 1.484 0.110 -0.048) 1.489 1.221 ( 4.446 0.703 -1.041) 4.620 1.423 ( 1.026 -1.022 2.863) 3.208 1.906 ( 0.509 -1.875 -0.359) 1.976 2.346 ( 12.628 0.782 1.459) 12.736 3.241 ( -1.373 0.369 -2.240) 2.654 3.751 ( -2.533 3.146 -5.822) 7.086 3.928 ( -1.370 0.170 2.497) 2.853 4.165 ( 2.652 1.893 -2.062) 3.856 4.175 ( 5.325 -0.599 -1.354) 5.527 4.594 ( -2.676 -0.898 4.664) 5.452 4.836 ( -3.790 0.117 -0.443) 3.818 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.312 0.778 0.065) 0.841 1.282 ( 3.307 -1.884 -2.421) 4.511 1.407 ( -0.961 -2.129 0.367) 2.365 1.899 ( 0.558 -1.059 -1.265) 1.742 2.572 ( 13.488 -4.635 0.719) 14.280 3.185 ( -3.152 -1.344 -1.469) 3.728 3.780 ( 1.692 6.986 -1.750) 7.398 3.888 ( -3.564 -1.176 3.959) 5.455 4.117 ( -3.599 -0.187 0.672) 3.666 4.365 ( 10.615 1.438 -3.561) 11.289 4.531 ( -3.502 -2.769 1.571) 4.733 4.776 ( -3.739 1.158 0.958) 4.029 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.000 3.400 2.513) 4.228 1.097 ( -0.000 0.858 1.728) 1.929 1.392 ( -0.000 0.681 3.947) 4.006 1.897 ( -0.000 -2.282 0.603) 2.360 2.107 ( -0.000 0.571 0.651) 0.866 3.255 ( 0.000 0.998 -2.599) 2.784 3.809 ( -0.000 0.130 0.439) 0.458 3.950 ( 0.000 -0.229 -1.287) 1.307 3.954 ( 0.000 3.718 -13.085) 13.603 4.211 ( -0.000 -0.494 0.837) 0.972 4.653 ( -0.000 -1.774 8.279) 8.467 4.912 ( 0.000 1.344 -1.336) 1.895 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.128 1.524 1.633) 2.237 1.178 ( 2.478 3.017 0.955) 4.019 1.415 ( 0.282 -0.240 4.504) 4.520 1.883 ( 0.198 -1.007 -0.454) 1.123 2.168 ( 7.292 -1.865 1.363) 7.649 3.239 ( -0.448 -2.240 -2.519) 3.400 3.795 ( -1.489 1.313 -3.423) 3.957 3.939 ( -0.020 -0.466 0.178) 0.500 4.017 ( 6.657 2.861 -8.532) 11.194 4.203 ( -0.863 -0.241 1.069) 1.395 4.621 ( -1.385 -5.534 7.040) 9.061 4.923 ( -3.174 5.492 -0.679) 6.380 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.919 1.274 0.956) 1.839 1.225 ( 0.771 0.232 -1.550) 1.747 1.406 ( -1.083 -1.621 1.455) 2.433 1.879 ( 0.299 -0.179 -1.003) 1.061 2.307 ( 11.020 -5.601 1.299) 12.430 3.179 ( -0.820 -5.079 -1.987) 5.516 3.810 ( 1.296 4.788 -1.621) 5.219 3.916 ( -0.991 -2.095 0.624) 2.400 4.162 ( 2.386 0.442 -2.464) 3.458 4.199 ( 5.609 2.134 -1.059) 6.094 4.555 ( -2.114 -4.953 4.814) 7.224 4.892 ( -6.089 5.105 -0.289) 7.951 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 0.402 2.002) 2.042 1.208 ( -0.000 5.419 0.766) 5.473 1.433 ( -0.000 0.023 5.439) 5.439 1.881 ( -0.000 1.026 0.313) 1.073 2.070 ( 0.000 -4.817 0.804) 4.884 3.194 ( 0.000 -6.001 -2.610) 6.544 3.807 ( -0.000 -0.513 0.134) 0.530 3.928 ( 0.000 -1.095 -1.059) 1.523 3.960 ( 0.000 4.646 -11.345) 12.259 4.208 ( -0.000 -0.493 0.837) 0.971 4.589 ( -0.000 -6.378 7.174) 9.599 5.025 ( -0.000 7.848 -0.311) 7.854 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.298 -0.118 1.357) 1.395 1.247 ( -1.054 2.908 -1.202) 3.318 1.425 ( -1.720 -1.168 2.115) 2.965 1.889 ( -1.039 1.391 0.815) 1.917 2.087 ( 7.400 -6.571 1.035) 9.950 3.103 ( 0.127 -10.061 -2.282) 10.317 3.816 ( 1.607 1.471 0.323) 2.202 3.900 ( -0.712 -2.207 -2.393) 3.332 4.048 ( 6.801 4.819 -6.290) 10.442 4.201 ( -0.438 -0.715 0.749) 1.124 4.548 ( -0.960 -4.261 6.210) 7.593 5.060 ( -4.792 7.361 -0.531) 8.799 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -0.000 -0.950 0.748) 1.209 1.278 ( 0.000 1.179 -2.094) 2.403 1.433 ( 0.000 -1.692 -0.615) 1.801 1.923 ( 0.000 -9.671 -0.218) 9.673 1.955 ( -0.000 4.373 3.737) 5.752 2.961 ( 0.000 -15.561 -2.271) 15.726 3.795 ( 0.000 -0.529 -0.035) 0.530 3.897 ( 0.000 -1.527 -0.361) 1.569 4.016 ( 0.000 6.273 -5.187) 8.139 4.197 ( 0.000 -0.597 -0.750) 0.959 4.548 ( -0.000 -1.419 5.882) 6.051 5.177 ( -0.000 7.280 -1.128) 7.367 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -0.000 0.000 17.564) 17.564 0.541 ( -0.000 0.000 17.564) 17.564 0.885 ( -0.000 0.000 30.590) 30.590 1.297 ( 0.000 -0.000 -3.032) 3.032 1.297 ( 0.000 -0.000 -3.032) 3.032 2.714 ( 0.000 -0.000 -13.163) 13.163 3.712 ( -0.000 0.000 1.381) 1.381 3.712 ( -0.000 0.000 1.381) 1.381 3.905 ( 0.000 -0.000 -1.569) 1.569 3.905 ( 0.000 -0.000 -1.569) 1.569 4.904 ( -0.000 0.000 2.149) 2.149 5.769 ( 0.000 -0.000 -0.408) 0.408 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.650 -0.376 16.583) 16.600 0.591 ( -3.174 -1.833 20.619) 20.943 1.188 ( 10.436 6.025 13.889) 18.388 1.318 ( 2.007 1.159 -2.442) 3.366 1.380 ( 10.054 5.805 0.353) 11.615 2.351 ( -15.552 -8.979 -0.942) 17.983 3.718 ( 0.279 0.161 1.411) 1.447 3.904 ( -0.099 -0.057 -1.615) 1.619 3.923 ( 2.736 1.580 -0.557) 3.208 4.112 ( 19.964 11.526 -14.793) 27.391 4.922 ( 0.789 0.456 1.867) 2.078 5.613 ( -11.844 -6.838 1.402) 13.748 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.095 0.055 14.227) 14.228 0.611 ( 6.392 3.691 10.250) 12.631 1.314 ( 1.781 1.029 -1.729) 2.687 1.378 ( 3.833 2.213 -1.400) 4.642 1.733 ( 14.842 8.569 2.686) 17.347 2.130 ( -2.841 -1.640 1.048) 3.444 3.732 ( 0.540 0.312 1.074) 1.242 3.893 ( -0.357 -0.206 -1.486) 1.542 4.017 ( 4.776 2.757 1.493) 5.713 4.393 ( 8.748 5.051 -12.367) 15.968 4.934 ( -1.383 -0.798 3.572) 3.913 5.290 ( -14.544 -8.397 -1.982) 16.911 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 3.548 2.049 3.698) 5.520 0.807 ( 7.596 4.386 4.002) 9.641 1.311 ( -0.974 -0.562 -2.591) 2.824 1.496 ( 6.555 3.785 -0.096) 7.570 1.964 ( 5.774 3.334 -3.681) 7.616 2.267 ( 12.224 7.057 3.501) 14.543 3.750 ( 0.798 0.461 0.694) 1.154 3.882 ( -0.125 -0.072 -1.187) 1.195 4.124 ( 3.238 1.869 1.470) 4.017 4.502 ( 4.136 2.388 -6.360) 7.954 4.763 ( -16.049 -9.266 7.174) 19.872 5.054 ( -2.483 -1.434 -7.752) 8.265 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 8.083 4.667 -1.102) 9.398 0.966 ( 5.318 3.070 0.068) 6.141 1.272 ( -1.523 -0.880 -1.060) 2.054 1.680 ( 8.886 5.130 0.465) 10.271 2.064 ( 3.694 2.133 -1.837) 4.644 2.590 ( 13.766 7.948 0.846) 15.918 3.773 ( 0.960 0.554 0.359) 1.165 3.883 ( 0.393 0.227 -0.568) 0.727 4.124 ( -5.826 -3.364 0.944) 6.793 4.398 ( -12.152 -7.016 1.760) 14.142 4.576 ( 3.482 2.010 -3.302) 5.203 5.016 ( -0.503 -0.290 -2.728) 2.790 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 7.647 4.415 -2.630) 9.214 1.060 ( 3.156 1.822 -1.586) 3.974 1.259 ( 1.565 0.904 0.489) 1.873 1.890 ( 8.468 4.889 -0.097) 9.778 2.105 ( -0.306 -0.177 -1.548) 1.588 2.890 ( 11.252 6.497 1.323) 13.060 3.795 ( 0.874 0.505 -0.081) 1.012 3.860 ( -12.835 -7.410 3.680) 15.271 3.896 ( 0.718 0.415 0.449) 0.943 4.272 ( -1.608 -0.928 -1.858) 2.627 4.647 ( 3.510 2.026 -2.745) 4.895 4.993 ( -1.431 -0.826 0.187) 1.663 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.696 0.979 -2.920) 3.516 1.111 ( 1.793 1.035 -2.087) 2.940 1.379 ( 7.245 4.183 -1.882) 8.575 2.031 ( -5.190 -2.997 -1.735) 6.239 2.054 ( 5.374 3.103 -0.795) 6.256 3.105 ( 6.274 3.622 2.570) 7.687 3.671 ( -4.065 -2.347 8.093) 9.356 3.811 ( 0.511 0.295 -0.269) 0.648 3.914 ( 0.499 0.288 1.205) 1.335 4.245 ( -0.552 -0.319 -1.519) 1.647 4.730 ( 4.529 2.615 -3.522) 6.305 4.938 ( -3.581 -2.068 0.778) 4.208 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.867 0.500 -2.072) 2.301 1.136 ( 2.430 1.403 -1.559) 3.211 1.498 ( 2.999 1.731 -6.771) 7.605 1.906 ( -3.604 -2.081 -0.168) 4.165 2.124 ( 0.682 0.394 -1.008) 1.279 3.197 ( 1.044 0.603 3.134) 3.358 3.705 ( 3.141 1.814 12.134) 12.665 3.816 ( -0.104 -0.060 -0.070) 0.139 3.924 ( -0.041 -0.024 1.259) 1.260 4.232 ( -0.237 -0.137 -1.301) 1.329 4.789 ( -2.731 -1.577 -5.600) 6.427 4.880 ( 2.960 1.709 1.781) 3.854 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.108 0.062 -1.660) 1.665 1.209 ( 3.640 2.101 0.531) 4.236 1.480 ( -1.780 -1.028 -4.252) 4.722 1.892 ( 2.004 1.157 -2.094) 3.121 2.077 ( -4.408 -2.545 -0.631) 5.129 3.166 ( -5.058 -2.920 3.329) 6.722 3.808 ( -0.531 -0.306 0.107) 0.622 3.851 ( 5.609 3.238 11.550) 13.242 3.919 ( -0.702 -0.405 0.879) 1.196 4.219 ( -0.621 -0.359 -1.522) 1.682 4.650 ( -5.416 -3.127 -5.726) 8.479 5.019 ( 6.712 3.875 1.051) 7.821 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.000 0.134 15.190) 15.191 0.824 ( -0.000 8.847 12.932) 15.669 1.206 ( -0.000 8.868 19.758) 21.657 1.278 ( 0.000 1.370 -4.332) 4.543 1.381 ( -0.000 9.500 0.481) 9.512 2.351 ( 0.000 -16.360 -4.074) 16.860 3.728 ( -0.000 0.629 1.177) 1.334 3.875 ( 0.000 -1.216 -1.449) 1.891 3.916 ( 0.000 3.765 -2.149) 4.335 4.067 ( 0.000 18.971 -9.945) 21.419 4.924 ( -0.000 0.231 1.907) 1.921 5.635 ( 0.000 -10.905 0.290) 10.909 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 2.163 8.037 7.792) 11.401 0.850 ( -8.262 9.020 14.096) 18.664 1.274 ( 1.293 1.508 -1.398) 2.429 1.373 ( 2.339 5.033 -0.957) 5.632 1.623 ( 10.529 12.884 7.040) 18.067 2.154 ( -3.767 -7.103 -2.235) 8.345 3.741 ( 0.043 1.161 1.373) 1.798 3.865 ( 1.026 -1.743 -1.774) 2.690 3.985 ( 3.335 3.615 0.535) 4.948 4.270 ( 7.180 9.623 -10.778) 16.135 4.931 ( 0.407 -1.667 2.342) 2.903 5.423 ( -10.233 -10.773 -1.289) 14.914 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.343 8.358 1.587) 8.515 0.869 ( -3.681 9.888 10.121) 14.621 1.295 ( 0.573 -0.335 -2.224) 2.321 1.467 ( 3.135 6.601 -0.995) 7.375 1.897 ( 5.989 6.948 -2.339) 9.466 2.165 ( 7.872 4.926 2.892) 9.726 3.758 ( -0.139 1.525 1.311) 2.016 3.863 ( 1.186 -1.334 -1.897) 2.605 4.092 ( 3.749 3.123 1.818) 5.207 4.413 ( 5.630 3.005 -7.273) 9.676 4.882 ( -4.524 -8.806 6.606) 11.902 5.116 ( -10.826 -4.412 -7.234) 13.747 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.843 9.268 1.345) 9.402 0.970 ( 1.085 8.193 2.307) 8.581 1.276 ( -0.814 -1.416 -0.953) 1.891 1.623 ( 5.875 8.408 0.370) 10.264 2.016 ( 3.999 3.558 -1.839) 5.660 2.452 ( 12.596 9.934 0.811) 16.062 3.774 ( -0.091 0.965 1.285) 1.610 3.868 ( 1.061 -0.187 -1.826) 2.120 4.156 ( 0.076 0.424 0.544) 0.694 4.506 ( 4.688 1.211 -3.742) 6.119 4.582 ( -15.469 -10.191 3.137) 18.788 4.998 ( -0.574 -1.543 -3.873) 4.208 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 3.565 8.315 3.029) 9.541 1.068 ( 1.418 6.961 -1.897) 7.353 1.250 ( 0.113 -0.766 0.233) 0.809 1.826 ( 6.720 8.469 0.301) 10.816 2.095 ( 1.701 1.976 -1.177) 2.861 2.769 ( 11.776 9.145 0.575) 14.920 3.769 ( -0.818 -2.518 1.426) 3.008 3.886 ( 1.024 0.878 -1.413) 1.954 4.065 ( -10.064 -1.643 2.268) 10.446 4.305 ( -6.067 -2.091 -2.258) 6.803 4.586 ( 3.931 0.675 -2.113) 4.514 4.976 ( 0.917 -3.192 -0.037) 3.321 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.960 2.792 0.589) 3.011 1.130 ( -0.273 3.739 -2.152) 4.323 1.320 ( 5.003 5.110 0.259) 7.156 1.994 ( 3.521 2.942 -0.433) 4.609 2.104 ( -1.784 4.083 -1.960) 4.868 3.032 ( 8.376 6.029 2.205) 10.553 3.688 ( -2.476 -6.275 4.190) 7.941 3.908 ( -0.750 3.442 -1.282) 3.749 3.937 ( -5.467 4.205 3.593) 7.777 4.241 ( -0.768 -0.953 -2.171) 2.492 4.651 ( 4.334 0.360 -3.529) 5.601 4.949 ( -0.511 -3.930 1.219) 4.146 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.950 0.876 -1.467) 1.955 1.152 ( -0.113 2.810 -1.168) 3.045 1.444 ( 3.294 3.275 -3.586) 5.868 1.948 ( -3.925 -3.258 -0.810) 5.164 2.168 ( -0.769 8.327 -1.596) 8.514 3.183 ( 3.229 2.080 3.085) 4.926 3.666 ( 2.897 -2.155 8.098) 8.866 3.917 ( -4.440 7.525 3.289) 9.336 3.936 ( 0.010 1.308 0.115) 1.313 4.223 ( 0.253 -1.019 -1.445) 1.786 4.726 ( 5.026 -0.737 -5.155) 7.237 4.884 ( -2.236 -3.374 1.358) 4.269 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 1.661 0.550 -1.957) 2.625 1.183 ( 1.262 2.531 -0.127) 2.831 1.462 ( -0.168 -1.189 -5.137) 5.275 1.880 ( -0.877 -0.596 0.089) 1.064 2.182 ( -5.496 5.705 -1.522) 8.066 3.212 ( -1.592 -1.362 3.180) 3.808 3.753 ( 4.438 -0.189 5.569) 7.123 3.922 ( -2.071 1.368 5.126) 5.696 3.961 ( -1.707 7.299 1.741) 7.695 4.215 ( 0.194 -0.773 -1.419) 1.628 4.683 ( -4.117 -4.495 -6.005) 8.557 4.915 ( 6.840 0.182 0.984) 6.913 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -0.000 13.173 2.885) 13.485 1.018 ( -0.000 3.896 4.851) 6.222 1.328 ( 0.000 6.705 -2.538) 7.170 1.374 ( -0.000 3.271 1.719) 3.695 1.709 ( -0.000 16.354 8.764) 18.554 2.098 ( 0.000 -6.222 -3.964) 7.378 3.752 ( -0.000 1.209 0.855) 1.481 3.842 ( 0.000 -1.183 -0.984) 1.539 3.983 ( -0.000 3.598 0.332) 3.614 4.285 ( 0.000 8.596 -6.589) 10.830 4.905 ( -0.000 -4.709 3.023) 5.596 5.395 ( 0.000 -10.338 -4.181) 11.151 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -1.189 12.259 -2.583) 12.584 1.038 ( -1.954 3.832 3.171) 5.344 1.321 ( -3.333 2.869 0.162) 4.400 1.479 ( 3.675 6.911 -1.556) 7.981 1.907 ( 1.959 9.791 -0.644) 10.006 2.105 ( 5.279 5.804 2.439) 8.216 3.781 ( 0.696 1.938 0.935) 2.262 3.823 ( 0.115 -1.358 -1.149) 1.783 4.063 ( 3.845 3.146 1.748) 5.266 4.357 ( 2.369 3.958 -4.083) 6.160 4.839 ( -0.779 -10.524 4.476) 11.463 5.219 ( -7.663 -5.319 -7.415) 11.916 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.595 10.146 -4.864) 11.268 1.072 ( -1.065 6.118 2.329) 6.633 1.287 ( -2.147 -0.358 0.589) 2.255 1.631 ( 4.394 9.700 -0.081) 10.649 1.997 ( 2.520 4.642 -1.061) 5.387 2.368 ( 9.800 13.210 0.937) 16.474 3.796 ( -0.695 0.604 1.096) 1.431 3.832 ( 1.837 0.148 -1.798) 2.575 4.152 ( 1.880 1.690 1.019) 2.726 4.427 ( 4.183 0.951 -1.146) 4.441 4.670 ( -6.096 -13.329 3.226) 15.008 5.029 ( -6.689 -0.921 -6.794) 9.578 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.403 10.573 1.415) 10.935 1.128 ( -0.221 6.741 -0.786) 6.790 1.245 ( -1.316 -1.562 0.679) 2.153 1.818 ( 5.167 9.608 0.279) 10.913 2.089 ( 2.484 4.422 0.446) 5.092 2.677 ( 10.347 12.083 -0.583) 15.919 3.777 ( -1.814 -2.084 1.638) 3.212 3.860 ( 1.830 0.742 -2.940) 3.542 4.151 ( -2.323 -0.852 0.158) 2.479 4.431 ( -9.250 -4.471 -0.202) 10.276 4.514 ( 4.557 0.405 0.023) 4.575 4.926 ( -1.215 -3.676 -2.237) 4.471 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -2.225 5.114 4.155) 6.955 1.170 ( -0.951 2.294 -1.084) 2.710 1.293 ( 4.972 6.622 -0.150) 8.282 1.971 ( 3.023 3.633 -0.069) 4.727 2.176 ( 0.637 8.554 -0.296) 8.582 2.953 ( 8.948 8.199 0.742) 12.159 3.692 ( -3.429 -4.913 1.968) 6.306 3.897 ( 2.246 1.047 -2.880) 3.799 4.095 ( -3.616 1.605 2.306) 4.579 4.287 ( -6.187 2.087 -1.437) 6.686 4.579 ( 3.040 -0.031 -1.780) 3.523 4.886 ( 1.859 -5.592 0.516) 5.916 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -2.111 1.215 0.650) 2.521 1.191 ( -0.905 3.773 0.875) 3.977 1.428 ( 2.531 4.558 -1.129) 5.334 1.971 ( -2.313 -2.440 -0.425) 3.389 2.292 ( -0.840 13.270 -1.532) 13.384 3.144 ( 5.286 3.138 2.433) 6.611 3.633 ( 0.663 -2.106 4.793) 5.277 3.933 ( 1.505 0.681 -1.986) 2.583 4.087 ( -2.615 5.634 3.519) 7.139 4.219 ( -3.436 1.315 -1.412) 3.941 4.621 ( 3.500 -1.171 -3.397) 5.016 4.860 ( 0.745 -5.032 0.714) 5.137 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.173 1.317 -0.344) 1.373 1.212 ( -1.092 3.202 0.964) 3.518 1.451 ( -1.004 -0.538 -2.883) 3.100 1.902 ( -2.261 -1.131 0.511) 2.579 2.362 ( -5.517 11.353 -1.932) 12.769 3.217 ( 0.964 -0.797 2.891) 3.150 3.697 ( 4.489 1.051 5.476) 7.158 3.943 ( -0.051 -0.520 -0.734) 0.901 4.128 ( -3.516 9.976 3.791) 11.237 4.183 ( 0.279 -1.782 -1.347) 2.251 4.639 ( 1.679 -4.013 -4.777) 6.461 4.831 ( 1.610 -2.681 0.706) 3.206 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.000 12.008 -4.782) 12.925 1.058 ( 0.000 0.513 -2.002) 2.067 1.386 ( 0.000 -1.474 -3.348) 3.658 1.503 ( -0.000 10.295 -0.353) 10.301 1.958 ( 0.000 3.366 -3.360) 4.757 2.182 ( -0.000 16.737 5.646) 17.663 3.789 ( -0.000 1.500 1.378) 2.037 3.819 ( 0.000 -0.204 -1.260) 1.276 4.060 ( -0.000 2.968 2.678) 3.998 4.367 ( 0.000 2.206 -1.177) 2.501 4.734 ( 0.000 -13.739 3.198) 14.107 5.217 ( 0.000 -3.023 -8.417) 8.943 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -2.164 6.264 -6.885) 9.556 1.110 ( 2.085 4.910 -2.853) 6.049 1.327 ( -2.291 -1.718 -1.828) 3.398 1.651 ( 4.158 9.976 -0.712) 10.831 1.996 ( 1.902 2.964 -0.666) 3.584 2.415 ( 3.624 18.558 2.088) 19.023 3.798 ( -0.031 -0.552 0.113) 0.564 3.828 ( 0.265 2.195 -0.113) 2.214 4.130 ( 2.930 2.183 2.316) 4.326 4.378 ( 1.266 -1.988 0.591) 2.430 4.593 ( -1.030 -12.600 1.446) 12.724 5.119 ( -5.646 -0.972 -7.377) 9.341 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 3.572 6.682 -2.081) 7.858 1.180 ( 1.038 5.881 -3.253) 6.800 1.269 ( -2.159 -1.613 -0.015) 2.695 1.827 ( 4.598 9.018 -0.240) 10.125 2.081 ( 3.973 3.634 1.169) 5.510 2.676 ( 5.395 16.213 -0.589) 17.097 3.790 ( -0.918 -0.976 0.665) 1.495 3.840 ( -0.114 0.642 -1.641) 1.766 4.170 ( -0.688 0.016 -0.695) 0.979 4.385 ( 4.893 -7.593 1.375) 9.137 4.498 ( -0.848 -1.493 1.545) 2.310 4.971 ( -7.183 -1.372 -4.659) 8.671 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 1.464 0.259 0.985) 1.784 1.225 ( -1.602 2.056 1.820) 3.179 1.285 ( 4.300 8.861 -2.089) 10.068 1.960 ( 2.408 3.458 0.470) 4.240 2.225 ( 5.106 8.717 0.873) 10.140 2.914 ( 5.813 11.103 -0.700) 12.552 3.717 ( -3.960 -3.742 -0.508) 5.472 3.854 ( 1.665 0.474 -2.078) 2.705 4.135 ( -1.641 -0.703 -0.081) 1.787 4.393 ( 0.098 -0.186 0.341) 0.401 4.529 ( 2.461 0.755 0.948) 2.743 4.833 ( -3.710 -3.829 -1.608) 5.568 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -1.472 -0.958 0.064) 1.758 1.258 ( -0.601 3.915 1.863) 4.377 1.430 ( 2.791 4.995 -0.031) 5.722 1.979 ( -0.958 -1.437 0.263) 1.747 2.424 ( 3.045 14.555 -0.154) 14.871 3.087 ( 4.963 4.010 0.712) 6.420 3.630 ( -1.471 -1.731 0.943) 2.460 3.884 ( 2.404 -0.466 -2.593) 3.566 4.111 ( -0.280 -0.915 1.353) 1.657 4.381 ( -5.335 6.248 0.813) 8.256 4.565 ( 1.374 -0.368 -1.304) 1.930 4.771 ( 2.084 -5.396 -0.083) 5.785 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.776 0.021 0.097) 0.783 1.284 ( -1.668 3.883 2.022) 4.685 1.460 ( -1.258 -0.733 -1.210) 1.893 1.932 ( -2.088 -1.231 0.455) 2.466 2.578 ( -3.629 15.111 -1.060) 15.577 3.173 ( 3.395 -1.885 1.926) 4.334 3.655 ( 3.322 1.824 3.061) 4.872 3.903 ( 2.090 -2.138 -3.315) 4.464 4.113 ( 1.563 -2.034 0.888) 2.715 4.352 ( -6.429 8.842 2.289) 11.169 4.567 ( 0.941 -2.320 -1.882) 3.132 4.768 ( 2.455 -3.869 -0.647) 4.627 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 0.531 -2.909) 2.957 1.119 ( 0.000 6.474 -10.970) 12.738 1.310 ( 0.000 -2.455 -2.761) 3.695 1.711 ( -0.000 10.301 -0.798) 10.331 2.001 ( -0.000 1.716 1.234) 2.114 2.592 ( -0.000 19.776 0.754) 19.790 3.795 ( 0.000 -0.420 0.048) 0.423 3.852 ( -0.000 2.865 0.094) 2.866 4.134 ( -0.000 2.067 4.128) 4.616 4.310 ( 0.000 -9.731 -2.321) 10.004 4.510 ( -0.000 -5.182 2.249) 5.649 5.137 ( 0.000 -1.149 -6.554) 6.654 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.764 2.560 -2.164) 3.788 1.167 ( 3.506 2.084 -8.156) 9.119 1.284 ( -0.980 0.595 -1.357) 1.777 1.844 ( 3.427 9.115 -0.723) 9.764 2.041 ( 2.878 0.683 2.331) 3.766 2.795 ( 1.316 17.651 -1.064) 17.732 3.795 ( -0.002 -0.105 0.100) 0.145 3.866 ( -1.559 1.662 -0.436) 2.320 4.178 ( 0.267 1.413 0.465) 1.511 4.205 ( 3.864 -10.842 -2.538) 11.786 4.499 ( 0.285 -0.254 4.141) 4.159 5.059 ( -5.007 -1.560 -4.775) 7.093 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 3.680 0.883 1.231) 3.980 1.214 ( 3.097 -0.880 -3.233) 4.563 1.310 ( 1.677 6.624 -1.635) 7.025 1.961 ( 1.535 3.085 1.106) 3.619 2.165 ( 8.645 4.655 0.675) 9.841 2.976 ( 1.588 13.228 -1.494) 13.407 3.747 ( -3.768 -2.580 -3.277) 5.621 3.856 ( -0.632 1.774 0.983) 2.125 4.148 ( -0.514 -0.672 -2.977) 3.095 4.262 ( 8.145 -4.150 0.637) 9.163 4.527 ( 0.534 1.295 3.676) 3.934 4.917 ( -7.383 -1.714 -2.504) 7.982 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.086 -1.641 0.030) 1.643 1.271 ( 2.840 1.719 -0.853) 3.427 1.427 ( 3.152 4.420 0.651) 5.468 1.977 ( -0.263 -1.554 0.818) 1.775 2.422 ( 11.274 9.581 0.254) 14.797 3.095 ( 0.337 6.844 -0.919) 6.914 3.650 ( -2.666 -1.064 -3.081) 4.211 3.866 ( -0.667 1.092 1.181) 1.741 4.120 ( -1.376 -0.472 -0.555) 1.557 4.387 ( 8.186 -0.907 -0.605) 8.259 4.552 ( 0.040 0.647 1.436) 1.576 4.773 ( -6.219 -1.209 -0.401) 6.348 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -0.425 -0.736 -0.000) 0.850 1.327 ( 1.343 2.327 -0.000) 2.687 1.466 ( -0.774 -1.341 -0.000) 1.549 1.946 ( -0.971 -1.681 -0.000) 1.941 2.714 ( 7.419 12.851 -0.000) 14.839 3.113 ( -0.851 -1.474 -0.000) 1.702 3.640 ( 1.503 2.603 0.000) 3.005 3.856 ( -0.710 -1.229 -0.000) 1.419 4.092 ( -0.673 -1.166 -0.000) 1.346 4.492 ( 1.831 3.171 -0.000) 3.661 4.546 ( -0.713 -1.235 0.000) 1.426 4.695 ( -0.703 -1.218 -0.000) 1.407 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.000 1.117 -1.095) 1.564 1.101 ( 0.000 -0.550 -7.763) 7.782 1.304 ( 0.000 2.653 -1.936) 3.285 1.901 ( -0.000 8.717 -0.737) 8.748 2.021 ( -0.000 -1.679 3.854) 4.203 2.950 ( -0.000 15.349 -2.346) 15.528 3.793 ( -0.000 0.233 -0.000) 0.233 3.907 ( -0.000 2.388 -0.183) 2.395 4.042 ( 0.000 -9.737 -6.994) 11.989 4.197 ( -0.000 1.653 1.017) 1.941 4.517 ( -0.000 1.375 6.127) 6.279 5.067 ( 0.000 -2.823 -3.930) 4.839 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 2.926 1.016 0.780) 3.194 1.116 ( 4.236 -0.987 -3.674) 5.694 1.336 ( 0.924 4.083 -1.133) 4.337 1.976 ( -0.104 1.430 1.820) 2.316 2.067 ( 6.301 2.672 1.391) 6.984 3.081 ( 0.397 11.222 -2.720) 11.554 3.776 ( -2.795 -0.795 -3.922) 4.881 3.892 ( -0.789 1.242 0.193) 1.484 4.026 ( 6.920 -3.055 -6.066) 9.696 4.204 ( -0.787 0.259 1.280) 1.525 4.559 ( -0.249 2.729 6.109) 6.695 4.987 ( -3.894 -3.385 -2.496) 5.731 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.688 -1.500 -0.430) 2.298 1.202 ( 4.981 0.861 -1.412) 5.248 1.416 ( 2.783 3.276 1.489) 4.549 1.962 ( -0.272 -2.830 1.296) 3.124 2.280 ( 12.027 5.477 0.890) 13.245 3.166 ( -0.336 6.512 -2.321) 6.921 3.686 ( -3.604 0.429 -6.393) 7.352 3.912 ( -0.819 2.014 2.540) 3.343 4.123 ( 4.236 0.667 -4.069) 5.912 4.207 ( 4.609 -2.204 0.995) 5.204 4.586 ( -1.543 2.009 3.981) 4.719 4.868 ( -5.303 -2.198 -0.812) 5.797 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 0.321 0.043) 0.324 1.079 ( -0.000 1.366 1.085) 1.744 1.361 ( -0.000 3.288 0.374) 3.309 1.979 ( -0.000 -4.499 3.386) 5.631 2.045 ( -0.000 5.534 0.115) 5.536 3.163 ( 0.000 7.487 -3.258) 8.165 3.803 ( -0.000 0.541 0.406) 0.676 3.871 ( 0.000 -1.018 -12.177) 12.219 3.939 ( 0.000 1.024 -1.113) 1.512 4.219 ( -0.000 0.068 0.871) 0.874 4.624 ( -0.000 4.467 7.423) 8.663 4.969 ( 0.000 -4.778 -2.115) 5.225 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 1.183 0.427 0.470) 1.343 1.140 ( 3.441 1.565 1.362) 4.018 1.412 ( 1.530 2.522 3.142) 4.309 1.937 ( -0.296 -4.043 1.417) 4.294 2.156 ( 7.135 3.334 1.103) 7.952 3.212 ( 0.055 3.887 -3.076) 4.957 3.742 ( -4.028 1.577 -7.498) 8.656 3.924 ( 3.363 1.647 0.401) 3.766 3.969 ( 5.658 -0.177 -5.698) 8.032 4.210 ( -1.180 -0.173 1.132) 1.645 4.669 ( -2.379 3.181 6.675) 7.768 4.898 ( -2.155 -3.375 -1.528) 4.286 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 1.037 2.117) 2.357 1.118 ( -0.000 3.518 2.296) 4.201 1.438 ( -0.000 2.025 5.813) 6.156 1.903 ( 0.000 -3.370 0.530) 3.411 2.115 ( -0.000 0.746 0.901) 1.170 3.228 ( 0.000 1.232 -3.200) 3.429 3.813 ( -0.000 0.050 0.373) 0.377 3.827 ( 0.000 3.939 -13.575) 14.135 3.937 ( 0.000 -0.194 -1.491) 1.504 4.221 ( -0.000 -0.358 1.125) 1.181 4.728 ( -0.000 -2.223 7.417) 7.743 4.897 ( 0.000 2.183 -1.752) 2.799 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -0.000 0.000 15.792) 15.792 0.698 ( -0.000 0.000 15.792) 15.792 1.168 ( -0.000 0.000 29.523) 29.523 1.262 ( 0.000 -0.000 -4.314) 4.314 1.262 ( 0.000 -0.000 -4.314) 4.314 2.573 ( 0.000 -0.000 -16.655) 16.655 3.726 ( -0.000 0.000 1.644) 1.644 3.726 ( -0.000 0.000 1.644) 1.644 3.888 ( 0.000 -0.000 -1.833) 1.833 3.888 ( 0.000 -0.000 -1.833) 1.833 4.924 ( -0.000 0.000 2.104) 2.104 5.765 ( 0.000 -0.000 -0.423) 0.423 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.747 -1.008 16.208) 16.333 0.775 ( -2.435 -1.406 18.303) 18.518 1.246 ( 2.057 1.188 -1.641) 2.887 1.290 ( 2.544 1.469 -3.360) 4.463 1.447 ( 12.335 7.122 13.994) 19.968 2.309 ( -12.011 -6.934 -7.617) 15.823 3.733 ( 0.168 0.097 1.665) 1.677 3.887 ( -0.053 -0.031 -2.048) 2.049 3.919 ( 3.625 2.093 -0.254) 4.194 4.002 ( 16.365 9.448 -8.995) 20.928 4.939 ( 0.632 0.365 1.676) 1.828 5.622 ( -11.428 -6.598 0.589) 13.209 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 3.546 2.047 12.188) 12.858 0.755 ( -3.569 -2.060 15.590) 16.125 1.282 ( 1.557 0.899 -4.705) 5.037 1.363 ( 4.499 2.598 -1.818) 5.505 1.756 ( 10.531 6.080 2.241) 12.365 2.135 ( -0.317 -0.183 -0.178) 0.407 3.744 ( 0.358 0.207 1.397) 1.457 3.876 ( -0.221 -0.127 -2.037) 2.053 4.031 ( 5.203 3.004 1.552) 6.205 4.285 ( 10.211 5.895 -10.251) 15.624 4.959 ( 0.466 0.269 1.934) 2.008 5.279 ( -17.151 -9.902 -0.327) 19.807 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.047 -0.027 8.030) 8.030 0.856 ( 5.059 2.921 6.120) 8.461 1.287 ( -0.140 -0.081 -2.173) 2.179 1.495 ( 7.086 4.091 -0.038) 8.182 1.935 ( 5.977 3.451 -2.445) 7.322 2.290 ( 11.375 6.567 1.492) 13.219 3.759 ( 0.620 0.358 1.202) 1.399 3.868 ( 0.132 0.076 -1.837) 1.844 4.135 ( 2.747 1.586 0.698) 3.248 4.441 ( 5.914 3.414 -6.319) 9.304 4.820 ( -18.966 -10.950 4.322) 22.323 4.999 ( 0.047 0.027 -3.210) 3.210 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 6.470 3.735 5.033) 9.008 0.974 ( 3.895 2.249 1.538) 4.753 1.267 ( -1.007 -0.581 0.021) 1.163 1.686 ( 8.830 5.098 0.731) 10.222 2.047 ( 3.916 2.261 -1.853) 4.887 2.596 ( 13.741 7.934 0.493) 15.875 3.778 ( 0.673 0.388 0.719) 1.059 3.875 ( 0.892 0.515 -0.962) 1.409 4.137 ( -4.438 -2.562 1.826) 5.440 4.389 ( -12.927 -7.463 -3.531) 15.338 4.552 ( 2.818 1.627 -1.530) 3.595 5.008 ( 0.309 0.178 0.961) 1.025 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 5.617 3.243 1.381) 6.631 1.049 ( 2.553 1.474 -0.776) 3.048 1.269 ( 1.882 1.087 1.515) 2.649 1.891 ( 8.104 4.679 0.256) 9.362 2.085 ( -0.480 -0.277 -2.672) 2.729 2.906 ( 11.823 6.826 2.032) 13.802 3.794 ( 0.651 0.376 -0.105) 0.759 3.901 ( 1.196 0.690 0.472) 1.459 3.906 ( -11.745 -6.781 6.002) 14.830 4.249 ( -1.096 -0.633 -3.052) 3.304 4.615 ( 3.174 1.833 -4.100) 5.499 5.005 ( -1.329 -0.767 2.187) 2.672 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.541 0.890 -1.981) 2.663 1.093 ( 1.588 0.917 -1.780) 2.555 1.367 ( 4.927 2.844 -0.847) 5.751 2.009 ( -4.635 -2.676 -2.896) 6.085 2.048 ( 5.101 2.945 -0.480) 5.909 3.132 ( 6.432 3.714 3.218) 8.095 3.761 ( -2.386 -1.378 10.871) 11.214 3.808 ( 0.528 0.305 -0.473) 0.771 3.927 ( 0.662 0.382 1.370) 1.569 4.230 ( -0.250 -0.144 -1.442) 1.470 4.686 ( 4.306 2.486 -5.743) 7.596 4.950 ( -3.799 -2.193 1.777) 4.733 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -0.000 -3.942 16.999) 17.450 0.934 ( -0.000 6.607 10.389) 12.312 1.231 ( 0.000 1.689 -5.592) 5.841 1.291 ( 0.000 4.336 -1.118) 4.478 1.475 ( -0.000 10.441 18.694) 21.412 2.281 ( 0.000 -12.667 -10.288) 16.319 3.740 ( -0.000 0.388 1.330) 1.386 3.862 ( 0.000 -0.987 -1.347) 1.670 3.897 ( 0.000 5.465 -1.725) 5.731 3.997 ( 0.000 14.942 -5.388) 15.884 4.941 ( -0.000 0.181 1.638) 1.648 5.635 ( 0.000 -11.303 -0.177) 11.304 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 1.144 1.297 12.098) 12.221 0.964 ( -5.460 5.328 9.520) 12.199 1.248 ( 0.934 2.780 -3.406) 4.494 1.353 ( 1.770 5.411 -3.241) 6.551 1.698 ( 6.146 9.719 8.266) 14.162 2.122 ( -1.224 -5.260 -4.343) 6.930 3.754 ( 0.163 1.000 1.366) 1.701 3.848 ( 0.703 -1.517 -1.745) 2.417 3.993 ( 4.243 4.095 1.126) 6.003 4.182 ( 6.224 11.034 -7.942) 14.952 4.950 ( 0.613 -0.771 1.693) 1.959 5.412 ( -10.265 -13.037 -0.981) 16.622 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.495 2.452 3.877) 4.614 0.958 ( -4.200 6.921 7.871) 11.291 1.277 ( 0.391 1.206 -1.201) 1.746 1.456 ( 4.033 7.129 -1.088) 8.263 1.880 ( 4.504 5.983 -1.163) 7.579 2.184 ( 8.288 5.369 1.047) 9.930 3.771 ( -0.147 1.509 1.303) 1.999 3.844 ( 1.125 -1.300 -2.041) 2.669 4.108 ( 3.342 3.088 1.303) 4.733 4.351 ( 6.193 5.219 -5.702) 9.905 4.942 ( -1.518 -6.939 6.009) 9.305 5.053 ( -13.498 -7.669 -5.870) 16.597 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.079 6.989 2.784) 8.129 1.006 ( -1.068 6.440 4.635) 8.006 1.273 ( -0.768 -0.777 0.461) 1.186 1.627 ( 6.145 8.521 0.638) 10.525 2.002 ( 4.024 4.205 -1.169) 5.937 2.455 ( 12.388 9.504 -0.172) 15.615 3.787 ( -0.251 1.196 1.361) 1.829 3.850 ( 1.437 -0.458 -2.004) 2.508 4.159 ( 0.100 0.433 0.234) 0.502 4.464 ( 2.324 1.919 -4.841) 5.703 4.606 ( -14.647 -10.132 1.756) 17.897 4.981 ( 1.386 -1.941 0.325) 2.407 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 3.504 8.615 4.307) 10.249 1.063 ( -0.177 5.147 1.080) 5.262 1.256 ( 0.480 -0.618 1.148) 1.389 1.830 ( 6.512 8.182 0.603) 10.474 2.081 ( 1.092 2.443 -1.733) 3.188 2.776 ( 12.570 9.185 0.901) 15.594 3.783 ( -0.849 -1.618 1.404) 2.304 3.873 ( 1.761 0.058 -1.212) 2.138 4.094 ( -8.554 -1.980 3.854) 9.589 4.275 ( -6.425 -1.440 -4.121) 7.768 4.563 ( 2.817 0.834 -2.683) 3.979 4.987 ( 1.588 -3.549 2.332) 4.534 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.316 2.828 2.339) 3.899 1.111 ( -0.198 4.289 -1.752) 4.637 1.326 ( 4.094 3.953 0.995) 5.777 1.988 ( 2.762 2.149 -0.914) 3.617 2.084 ( -1.726 5.039 -2.150) 5.744 3.055 ( 9.005 6.032 2.720) 11.175 3.732 ( -0.503 -5.315 5.041) 7.343 3.897 ( 0.278 1.955 -0.908) 2.173 3.976 ( -5.992 4.719 4.705) 8.962 4.220 ( -0.171 -0.721 -2.126) 2.252 4.611 ( 3.528 0.700 -4.985) 6.147 4.965 ( -0.610 -4.386 2.114) 4.907 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 6.446 7.824) 10.137 1.041 ( 0.000 0.885 -0.255) 0.921 1.310 ( -0.000 8.303 -1.135) 8.380 1.361 ( 0.000 3.051 -3.953) 4.994 1.789 ( -0.000 11.161 7.036) 13.194 2.062 ( 0.000 -2.729 -2.784) 3.899 3.761 ( -0.000 1.125 1.020) 1.518 3.834 ( 0.000 -1.100 -0.743) 1.327 3.992 ( -0.000 4.492 1.530) 4.746 4.230 ( 0.000 10.388 -5.100) 11.572 4.932 ( -0.000 -3.336 2.642) 4.255 5.357 ( 0.000 -13.501 -3.838) 14.036 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -2.404 6.671 -0.668) 7.123 1.049 ( 0.460 1.938 -0.595) 2.078 1.319 ( -2.531 2.621 -0.848) 3.741 1.462 ( 4.191 7.936 -1.916) 9.177 1.897 ( 1.211 6.487 -1.437) 6.753 2.134 ( 4.847 8.579 3.390) 10.421 3.788 ( 0.715 1.652 0.510) 1.871 3.814 ( -0.236 -0.991 -0.513) 1.141 4.082 ( 3.716 3.357 2.299) 5.511 4.323 ( 2.144 6.351 -3.033) 7.357 4.883 ( -0.123 -10.223 4.871) 11.325 5.149 ( -7.870 -7.459 -7.285) 13.063 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.405 8.681 -3.544) 9.482 1.090 ( 0.203 3.883 1.186) 4.065 1.294 ( -1.771 -0.332 0.815) 1.977 1.630 ( 4.956 9.799 -0.023) 10.981 1.990 ( 2.953 5.435 -0.409) 6.199 2.374 ( 8.622 12.708 0.445) 15.363 3.805 ( 0.074 0.171 0.676) 0.701 3.818 ( 0.774 0.594 -1.158) 1.514 4.159 ( 1.182 1.270 0.554) 1.821 4.419 ( 3.881 3.271 -0.573) 5.108 4.697 ( -7.254 -15.286 2.391) 17.088 4.975 ( -4.379 -0.607 -4.367) 6.214 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 5.108 11.561 0.331) 12.644 1.135 ( -0.261 4.197 1.672) 4.525 1.255 ( -1.508 -1.662 1.222) 2.555 1.821 ( 5.228 9.251 0.393) 10.634 2.092 ( 2.087 5.211 0.053) 5.614 2.673 ( 10.665 11.938 -0.273) 16.010 3.793 ( -1.620 -2.275 1.460) 3.151 3.835 ( 1.698 0.439 -2.150) 2.775 4.154 ( -1.491 -1.073 0.631) 1.942 4.421 ( -10.151 -2.764 -1.731) 10.662 4.514 ( 3.219 0.019 -0.117) 3.221 4.917 ( 0.658 -4.418 0.491) 4.494 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -1.632 2.959 -1.177) 3.578 1.179 ( -2.051 4.403 3.809) 6.173 1.297 ( 5.213 5.640 0.962) 7.740 1.968 ( 2.631 3.483 -0.539) 4.398 2.171 ( -0.131 9.073 -0.580) 9.093 2.963 ( 9.919 8.093 1.256) 12.863 3.716 ( -2.114 -5.223 3.076) 6.420 3.872 ( 2.428 0.668 -2.281) 3.397 4.120 ( -2.116 0.767 2.954) 3.714 4.273 ( -6.988 3.486 -1.512) 7.954 4.558 ( 1.912 0.466 -2.774) 3.402 4.897 ( 2.316 -6.304 1.703) 6.929 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 7.644 -4.605) 8.924 1.028 ( 0.000 0.338 -4.337) 4.351 1.343 ( 0.000 -1.288 -5.294) 5.449 1.500 ( -0.000 10.139 -0.372) 10.145 1.932 ( 0.000 4.573 -2.193) 5.071 2.234 ( -0.000 15.074 5.053) 15.899 3.800 ( -0.000 2.064 -0.181) 2.072 3.810 ( -0.000 -0.825 0.607) 1.024 4.089 ( -0.000 3.375 3.260) 4.692 4.358 ( -0.000 4.024 -0.451) 4.049 4.767 ( -0.000 -15.569 3.772) 16.020 5.138 ( 0.000 -2.904 -8.378) 8.867 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.481 7.042 -7.443) 10.353 1.083 ( 3.599 2.504 -3.167) 5.408 1.306 ( -0.725 -1.677 -2.418) 3.030 1.643 ( 4.257 9.988 -0.896) 10.894 1.992 ( 2.139 4.371 -0.081) 4.867 2.434 ( 2.696 16.976 1.843) 17.288 3.801 ( 0.117 -0.338 0.263) 0.444 3.826 ( -0.090 1.957 0.015) 1.959 4.149 ( 1.690 1.885 1.613) 3.002 4.391 ( 1.768 -1.194 2.235) 3.090 4.606 ( -1.143 -14.090 1.256) 14.192 5.053 ( -4.961 -0.070 -6.408) 8.104 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 5.792 9.452 -1.572) 11.196 1.154 ( 2.130 3.330 -2.364) 4.606 1.265 ( -1.238 -2.019 -0.854) 2.518 1.824 ( 4.984 9.071 -0.372) 10.356 2.089 ( 3.937 4.151 0.550) 5.748 2.673 ( 5.053 15.644 -0.139) 16.441 3.798 ( -0.945 -1.741 0.581) 2.064 3.827 ( -0.620 1.004 -0.705) 1.374 4.162 ( -0.703 -0.924 -0.930) 1.487 4.402 ( 4.360 -9.099 2.080) 10.302 4.510 ( -1.253 0.634 0.861) 1.647 4.934 ( -5.839 -1.109 -2.979) 6.648 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.115 -0.200 -0.000) 0.231 1.236 ( 0.387 0.671 -0.000) 0.775 1.272 ( 5.852 10.137 -0.000) 11.705 1.962 ( 2.235 3.872 -0.000) 4.471 2.229 ( 4.956 8.585 -0.000) 9.913 2.910 ( 6.287 10.889 -0.000) 12.573 3.714 ( -2.931 -5.077 -0.000) 5.863 3.843 ( 0.697 1.208 -0.000) 1.395 4.134 ( -0.608 -1.052 -0.000) 1.215 4.395 ( -0.049 -0.086 -0.000) 0.099 4.533 ( 0.883 1.530 -0.000) 1.767 4.825 ( -2.448 -4.240 -0.000) 4.896 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 5.562 -11.746) 12.997 1.021 ( 0.000 1.384 -3.054) 3.352 1.287 ( 0.000 -1.194 -1.995) 2.326 1.703 ( -0.000 10.222 -0.948) 10.265 2.014 ( -0.000 3.180 1.591) 3.555 2.597 ( -0.000 17.966 0.404) 17.971 3.793 ( 0.000 -0.234 -0.579) 0.625 3.856 ( -0.000 2.525 0.792) 2.646 4.161 ( -0.000 1.866 1.091) 2.162 4.305 ( 0.000 -13.457 1.906) 13.591 4.530 ( -0.000 -2.919 1.762) 3.410 5.078 ( 0.000 -0.113 -5.755) 5.757 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 3.204 5.468 -2.474) 6.804 1.097 ( 4.969 1.663 -6.164) 8.090 1.269 ( -0.841 0.420 -1.550) 1.813 1.836 ( 3.660 9.419 -0.769) 10.134 2.063 ( 2.256 1.508 2.146) 3.459 2.785 ( 1.419 16.508 -1.073) 16.604 3.793 ( -0.199 -0.849 -0.629) 1.075 3.865 ( -1.623 1.685 0.365) 2.368 4.137 ( 1.155 -6.438 -5.225) 8.371 4.233 ( 3.164 -5.931 4.561) 8.124 4.535 ( -0.147 1.393 3.454) 3.727 5.017 ( -4.498 -0.701 -3.951) 6.028 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 3.051 -5.139) 5.976 1.046 ( -0.000 2.032 -0.195) 2.041 1.286 ( 0.000 2.483 -2.007) 3.193 1.894 ( -0.000 8.990 -0.549) 9.007 2.056 ( -0.000 -1.061 3.466) 3.625 2.927 ( -0.000 14.495 -2.400) 14.692 3.793 ( -0.000 0.444 0.070) 0.450 3.905 ( -0.000 1.963 -0.372) 1.998 3.970 ( 0.000 -11.900 -7.579) 14.108 4.219 ( -0.000 0.169 3.081) 3.086 4.571 ( -0.000 2.701 5.250) 5.904 5.032 ( 0.000 -1.966 -3.413) 3.939 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -0.000 0.000 13.674) 13.674 0.837 ( -0.000 0.000 13.674) 13.674 1.215 ( 0.000 -0.000 -5.732) 5.732 1.215 ( 0.000 -0.000 -5.732) 5.732 1.438 ( -0.000 0.000 27.891) 27.891 2.403 ( 0.000 -0.000 -19.414) 19.414 3.742 ( -0.000 0.000 1.663) 1.663 3.742 ( -0.000 0.000 1.663) 1.663 3.871 ( 0.000 -0.000 -1.817) 1.817 3.871 ( 0.000 -0.000 -1.817) 1.817 4.942 ( -0.000 0.000 1.659) 1.659 5.761 ( 0.000 -0.000 -0.350) 0.350 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -1.996 -1.152 14.632) 14.813 0.928 ( -1.015 -0.586 13.717) 13.767 1.200 ( 1.658 0.957 -6.572) 6.845 1.254 ( 3.290 1.900 -4.306) 5.742 1.600 ( 6.055 3.496 17.129) 18.501 2.216 ( -7.436 -4.293 -11.799) 14.593 3.748 ( 0.095 0.055 1.536) 1.540 3.867 ( -0.096 -0.055 -2.041) 2.044 3.918 ( 4.418 2.551 -0.029) 5.101 3.938 ( 13.064 7.543 -4.912) 15.865 4.952 ( 0.445 0.257 1.183) 1.289 5.626 ( -11.050 -6.380 0.270) 12.763 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.534 0.885 11.887) 12.019 0.882 ( -5.425 -3.132 9.929) 11.740 1.239 ( 2.609 1.507 -3.240) 4.424 1.345 ( 5.387 3.110 -2.109) 6.568 1.778 ( 6.272 3.621 2.660) 7.715 2.124 ( 2.531 1.461 -2.233) 3.678 3.757 ( 0.313 0.181 1.380) 1.427 3.856 ( -0.217 -0.125 -2.153) 2.167 4.042 ( 5.238 3.024 0.479) 6.067 4.206 ( 10.686 6.170 -6.202) 13.810 4.970 ( 0.863 0.498 0.412) 1.078 5.283 ( -17.727 -10.235 1.057) 20.497 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.913 -0.527 8.325) 8.391 0.918 ( 2.770 1.599 6.773) 7.490 1.277 ( 0.613 0.354 0.366) 0.797 1.495 ( 7.711 4.452 0.082) 8.905 1.919 ( 5.776 3.335 -0.915) 6.732 2.293 ( 11.196 6.464 -0.909) 12.960 3.772 ( 0.528 0.305 1.544) 1.660 3.849 ( 0.332 0.192 -2.228) 2.261 4.135 ( 2.564 1.481 -0.915) 3.099 4.389 ( 6.179 3.567 -4.353) 8.358 4.832 ( -18.841 -10.878 -1.624) 21.816 5.004 ( 0.402 0.232 4.165) 4.191 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 5.186 2.994 9.695) 11.395 0.994 ( 2.412 1.393 2.595) 3.807 1.273 ( -0.726 -0.419 1.109) 1.390 1.694 ( 8.823 5.094 0.908) 10.228 2.030 ( 3.588 2.072 -1.758) 4.500 2.599 ( 14.363 8.292 0.046) 16.585 3.786 ( 0.255 0.147 0.852) 0.901 3.865 ( 1.532 0.885 -1.096) 2.081 4.155 ( -1.710 -0.987 1.752) 2.640 4.343 ( -11.992 -6.924 -5.382) 14.856 4.542 ( -0.122 -0.071 -0.999) 1.009 5.032 ( 0.412 0.238 3.902) 3.931 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.000 -4.560 15.930) 16.569 1.013 ( -0.000 3.129 5.508) 6.335 1.178 ( 0.000 3.208 -4.769) 5.748 1.255 ( 0.000 5.075 -5.484) 7.472 1.657 ( -0.000 5.100 18.590) 19.277 2.168 ( 0.000 -8.176 -13.166) 15.498 3.752 ( -0.000 0.209 1.258) 1.275 3.851 ( 0.000 -0.726 -1.011) 1.245 3.886 ( -0.000 6.920 -0.586) 6.945 3.958 ( 0.000 11.693 -3.124) 12.104 4.954 ( -0.000 0.160 1.082) 1.094 5.633 ( 0.000 -11.675 -0.298) 11.678 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.425 -3.014 11.828) 12.213 1.014 ( -2.365 1.440 0.485) 2.811 1.228 ( 0.715 5.035 0.038) 5.086 1.316 ( 2.772 5.826 -4.203) 7.699 1.769 ( 1.708 5.275 6.222) 8.334 2.079 ( 1.438 -1.531 -4.185) 4.683 3.766 ( 0.260 0.784 0.960) 1.266 3.834 ( 0.188 -1.139 -1.178) 1.650 4.006 ( 4.530 4.686 1.469) 6.681 4.121 ( 5.544 11.400 -4.858) 13.576 4.962 ( 0.518 -0.096 0.901) 1.044 5.405 ( -9.837 -14.650 -0.537) 17.655 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.506 -2.165 3.862) 4.456 1.010 ( -1.965 4.765 3.563) 6.266 1.280 ( 0.362 2.014 1.818) 2.738 1.448 ( 5.023 7.789 -0.568) 9.286 1.876 ( 3.730 5.197 0.251) 6.402 2.184 ( 7.966 6.185 -1.130) 10.149 3.782 ( 0.125 1.338 1.031) 1.694 3.826 ( 0.705 -1.059 -1.657) 2.089 4.114 ( 2.418 3.408 -0.228) 4.185 4.311 ( 6.417 6.296 -2.603) 9.359 4.972 ( -1.256 -0.147 -2.315) 2.637 5.029 ( -12.933 -15.386 3.245) 20.359 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 5.403 4.121 5.583) 8.795 1.048 ( -1.206 5.200 4.212) 6.800 1.285 ( -1.013 -0.662 1.883) 2.238 1.635 ( 6.377 8.644 0.849) 10.775 1.994 ( 3.564 4.385 -0.508) 5.674 2.448 ( 12.673 9.802 -1.139) 16.062 3.798 ( -0.361 0.990 0.922) 1.400 3.833 ( 1.714 -0.249 -1.463) 2.267 4.159 ( 0.528 1.121 -0.502) 1.337 4.421 ( -0.266 1.752 -4.088) 4.456 4.614 ( -13.168 -9.147 -0.141) 16.034 5.002 ( 2.384 -3.067 4.072) 5.628 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -0.000 0.239 9.017) 9.020 1.012 ( 0.000 -0.374 -5.871) 5.883 1.307 ( 0.000 3.059 -6.966) 7.608 1.310 ( -0.000 8.540 0.993) 8.598 1.823 ( -0.000 4.712 0.158) 4.715 2.060 ( -0.000 3.340 2.388) 4.106 3.769 ( -0.000 0.960 0.473) 1.071 3.830 ( 0.000 -0.917 0.126) 0.925 4.011 ( -0.000 5.311 2.574) 5.902 4.190 ( 0.000 11.420 -3.232) 11.869 4.954 ( -0.000 -1.648 1.953) 2.555 5.324 ( 0.000 -16.569 -3.169) 16.869 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -3.395 1.050 -1.408) 3.822 1.035 ( 2.749 1.765 -2.097) 3.882 1.303 ( -0.210 1.559 -2.453) 2.914 1.448 ( 4.435 8.775 -0.724) 9.859 1.883 ( 1.931 5.471 -1.245) 5.934 2.164 ( 3.007 9.730 2.832) 10.571 3.789 ( 0.733 1.213 -0.325) 1.454 3.815 ( -0.629 -0.460 0.649) 1.015 4.103 ( 2.922 3.464 1.913) 4.919 4.304 ( 2.213 8.095 -0.873) 8.437 4.930 ( 0.648 -8.507 5.076) 9.928 5.083 ( -7.957 -10.638 -6.779) 14.915 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 3.948 6.838 -0.000) 7.895 1.095 ( 1.625 2.814 -0.000) 3.249 1.299 ( -0.572 -0.990 -0.000) 1.143 1.630 ( 5.556 9.624 -0.000) 11.113 1.988 ( 3.240 5.613 -0.000) 6.481 2.376 ( 7.487 12.967 -0.000) 14.973 3.809 ( 0.085 0.148 0.000) 0.171 3.811 ( 0.436 0.756 -0.000) 0.873 4.162 ( 0.689 1.194 -0.000) 1.378 4.416 ( 2.749 4.761 -0.000) 5.498 4.709 ( -9.044 -15.666 -0.000) 18.089 4.953 ( -0.906 -1.569 0.000) 1.811 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 2.189 -6.083) 6.465 0.979 ( 0.000 1.277 -6.068) 6.201 1.297 ( 0.000 0.067 -3.924) 3.925 1.497 ( -0.000 9.616 -0.245) 9.620 1.918 ( -0.000 5.860 -0.667) 5.897 2.274 ( -0.000 13.623 3.270) 14.010 3.787 ( 0.000 0.721 -1.625) 1.777 3.827 ( -0.000 0.407 2.243) 2.280 4.118 ( -0.000 3.243 2.668) 4.200 4.362 ( -0.000 5.874 1.512) 6.065 4.804 ( 0.000 -18.049 3.768) 18.438 5.062 ( 0.000 -2.013 -7.465) 7.732 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 0.000 10.920) 10.920 0.953 ( -0.000 0.000 10.920) 10.920 1.155 ( 0.000 -0.000 -6.859) 6.859 1.155 ( 0.000 -0.000 -6.859) 6.859 1.687 ( -0.000 0.000 24.433) 24.433 2.214 ( 0.000 -0.000 -20.226) 20.226 3.756 ( -0.000 0.000 1.196) 1.196 3.756 ( -0.000 0.000 1.196) 1.196 3.856 ( 0.000 -0.000 -1.282) 1.282 3.856 ( 0.000 -0.000 -1.282) 1.282 4.955 ( -0.000 0.000 0.911) 0.911 5.759 ( 0.000 -0.000 -0.199) 0.199 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.893 -1.093 12.032) 12.229 1.009 ( -1.764 -1.019 0.842) 2.204 1.153 ( 3.162 1.826 -0.597) 3.700 1.210 ( 4.285 2.474 -4.973) 7.015 1.751 ( -0.038 -0.022 13.671) 13.671 2.100 ( -2.644 -1.526 -11.417) 11.818 3.760 ( 0.068 0.040 0.771) 0.775 3.851 ( -0.222 -0.128 -1.305) 1.330 3.901 ( 8.779 5.069 -2.437) 10.426 3.924 ( 7.143 4.124 0.728) 8.280 4.960 ( 0.284 0.164 0.470) 0.573 5.628 ( -10.724 -6.192 0.211) 12.385 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -4.139 -2.390 -2.948) 5.616 0.937 ( 0.200 0.116 9.814) 9.817 1.245 ( 3.076 1.776 4.808) 5.978 1.325 ( 6.468 3.734 -2.021) 7.737 1.806 ( 3.336 1.926 2.949) 4.851 2.094 ( 4.336 2.504 -3.990) 6.402 3.768 ( 0.499 0.288 0.748) 0.944 3.838 ( -0.436 -0.252 -1.516) 1.598 4.035 ( 4.985 2.878 -2.024) 6.102 4.175 ( 10.536 6.083 -0.464) 12.174 4.968 ( 0.016 0.009 -0.922) 0.922 5.298 ( -16.563 -9.562 2.233) 19.255 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.000 -3.743 12.456) 13.007 1.010 ( 0.000 -1.425 -6.311) 6.470 1.168 ( -0.000 5.867 3.015) 6.596 1.196 ( 0.000 5.046 -6.795) 8.463 1.795 ( -0.000 -0.955 7.497) 7.557 2.062 ( 0.000 -2.502 -6.236) 6.719 3.761 ( -0.000 0.114 0.510) 0.522 3.845 ( 0.000 -0.476 -0.064) 0.480 3.886 ( -0.000 8.365 0.769) 8.401 3.936 ( -0.000 9.512 -1.765) 9.674 4.961 ( -0.000 0.206 0.334) 0.393 5.630 ( 0.000 -12.031 -0.264) 12.034 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -3.167 -5.485 0.000) 6.333 0.997 ( 0.747 1.295 -0.000) 1.495 1.239 ( 2.075 3.595 -0.000) 4.151 1.288 ( 3.977 6.889 -0.000) 7.955 1.801 ( 0.999 1.731 0.000) 1.999 2.056 ( 1.170 2.026 -0.000) 2.339 3.770 ( 0.367 0.636 -0.000) 0.734 3.828 ( -0.428 -0.741 -0.000) 0.855 4.014 ( 3.214 5.567 -0.000) 6.428 4.097 ( 6.351 11.000 -0.000) 12.701 4.966 ( 0.180 0.312 -0.000) 0.361 5.402 ( -9.001 -15.591 -0.000) 18.003 ======================= 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 2.00e-05 4.63e-04 4.63e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 -0.000 -0.000) 0.000 1.021 ( 0.000 -0.000 -0.000) 0.000 1.106 ( -0.000 0.000 0.000) 0.000 1.106 ( -0.000 0.000 0.000) 0.000 1.842 ( 0.000 -0.000 -0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.762 ( -0.000 0.000 0.000) 0.000 3.849 ( -0.000 0.000 0.000) 0.000 3.849 ( -0.000 0.000 0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 5.758 ( -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 10.0 158.410 158.410 221.360 0.000 -0.000 -0.000 3/32928 20.0 38.789 38.789 42.775 0.000 -0.000 -0.000 3/32928 30.0 20.889 20.889 20.800 0.000 -0.000 -0.000 3/32928 40.0 14.059 14.059 13.309 0.000 -0.000 -0.000 3/32928 50.0 10.573 10.573 9.718 0.000 -0.000 -0.000 3/32928 60.0 8.509 8.509 7.670 0.000 -0.000 -0.000 3/32928 70.0 7.152 7.152 6.361 0.000 -0.000 -0.000 3/32928 80.0 6.192 6.192 5.452 0.000 -0.000 -0.000 3/32928 90.0 5.473 5.473 4.782 0.000 -0.000 -0.000 3/32928 100.0 4.912 4.912 4.267 0.000 -0.000 -0.000 3/32928 110.0 4.460 4.460 3.857 0.000 -0.000 -0.000 3/32928 120.0 4.088 4.088 3.522 0.000 -0.000 -0.000 3/32928 130.0 3.775 3.775 3.243 0.000 -0.000 -0.000 3/32928 140.0 3.508 3.508 3.006 0.000 -0.000 -0.000 3/32928 150.0 3.277 3.277 2.802 0.000 -0.000 -0.000 3/32928 160.0 3.075 3.075 2.625 0.000 -0.000 -0.000 3/32928 170.0 2.897 2.897 2.470 0.000 -0.000 -0.000 3/32928 180.0 2.739 2.739 2.332 0.000 -0.000 -0.000 3/32928 190.0 2.598 2.598 2.209 0.000 -0.000 -0.000 3/32928 200.0 2.470 2.470 2.099 0.000 -0.000 -0.000 3/32928 210.0 2.355 2.355 1.999 0.000 -0.000 -0.000 3/32928 220.0 2.250 2.250 1.909 0.000 -0.000 -0.000 3/32928 230.0 2.154 2.154 1.826 0.000 -0.000 -0.000 3/32928 240.0 2.066 2.066 1.750 0.000 -0.000 -0.000 3/32928 250.0 1.985 1.985 1.681 0.000 -0.000 -0.000 3/32928 260.0 1.910 1.910 1.616 0.000 -0.000 -0.000 3/32928 270.0 1.841 1.841 1.557 0.000 -0.000 -0.000 3/32928 280.0 1.776 1.776 1.502 0.000 -0.000 -0.000 3/32928 290.0 1.716 1.716 1.450 0.000 -0.000 -0.000 3/32928 300.0 1.660 1.660 1.402 0.000 -0.000 -0.000 3/32928 310.0 1.607 1.607 1.358 0.000 -0.000 -0.000 3/32928 320.0 1.558 1.558 1.316 0.000 -0.000 -0.000 3/32928 330.0 1.511 1.511 1.276 0.000 -0.000 -0.000 3/32928 340.0 1.468 1.468 1.239 0.000 -0.000 -0.000 3/32928 350.0 1.426 1.426 1.204 0.000 -0.000 -0.000 3/32928 360.0 1.387 1.387 1.171 0.000 -0.000 -0.000 3/32928 370.0 1.350 1.350 1.139 0.000 -0.000 -0.000 3/32928 380.0 1.315 1.315 1.109 0.000 -0.000 -0.000 3/32928 390.0 1.282 1.282 1.081 0.000 -0.000 -0.000 3/32928 400.0 1.251 1.251 1.054 0.000 -0.000 -0.000 3/32928 410.0 1.221 1.221 1.029 0.000 -0.000 -0.000 3/32928 420.0 1.192 1.192 1.005 0.000 -0.000 -0.000 3/32928 430.0 1.165 1.165 0.981 0.000 -0.000 -0.000 3/32928 440.0 1.138 1.138 0.959 0.000 -0.000 -0.000 3/32928 450.0 1.114 1.114 0.938 0.000 -0.000 -0.000 3/32928 460.0 1.090 1.090 0.918 0.000 -0.000 -0.000 3/32928 470.0 1.067 1.067 0.899 0.000 -0.000 -0.000 3/32928 480.0 1.045 1.045 0.880 0.000 -0.000 -0.000 3/32928 490.0 1.024 1.024 0.862 0.000 -0.000 -0.000 3/32928 500.0 1.004 1.004 0.845 0.000 -0.000 -0.000 3/32928 510.0 0.984 0.984 0.829 0.000 -0.000 -0.000 3/32928 520.0 0.965 0.965 0.813 0.000 -0.000 -0.000 3/32928 530.0 0.947 0.947 0.798 0.000 -0.000 -0.000 3/32928 540.0 0.930 0.930 0.783 0.000 -0.000 -0.000 3/32928 550.0 0.913 0.913 0.769 0.000 -0.000 -0.000 3/32928 560.0 0.897 0.897 0.755 0.000 -0.000 -0.000 3/32928 570.0 0.882 0.882 0.742 0.000 -0.000 -0.000 3/32928 580.0 0.867 0.867 0.729 0.000 -0.000 -0.000 3/32928 590.0 0.852 0.852 0.717 0.000 -0.000 -0.000 3/32928 600.0 0.838 0.838 0.705 0.000 -0.000 -0.000 3/32928 610.0 0.824 0.824 0.694 0.000 -0.000 -0.000 3/32928 620.0 0.811 0.811 0.683 0.000 -0.000 -0.000 3/32928 630.0 0.799 0.799 0.672 0.000 -0.000 -0.000 3/32928 640.0 0.786 0.786 0.661 0.000 -0.000 -0.000 3/32928 650.0 0.774 0.774 0.651 0.000 -0.000 -0.000 3/32928 660.0 0.763 0.763 0.642 0.000 -0.000 -0.000 3/32928 670.0 0.751 0.751 0.632 0.000 -0.000 -0.000 3/32928 680.0 0.740 0.740 0.623 0.000 -0.000 -0.000 3/32928 690.0 0.730 0.730 0.614 0.000 -0.000 -0.000 3/32928 700.0 0.719 0.719 0.605 0.000 -0.000 -0.000 3/32928 710.0 0.709 0.709 0.597 0.000 -0.000 -0.000 3/32928 720.0 0.700 0.700 0.588 0.000 -0.000 -0.000 3/32928 730.0 0.690 0.690 0.580 0.000 -0.000 -0.000 3/32928 740.0 0.681 0.681 0.573 0.000 -0.000 -0.000 3/32928 750.0 0.672 0.672 0.565 0.000 -0.000 -0.000 3/32928 760.0 0.663 0.663 0.558 0.000 -0.000 -0.000 3/32928 770.0 0.655 0.655 0.550 0.000 -0.000 -0.000 3/32928 780.0 0.646 0.646 0.543 0.000 -0.000 -0.000 3/32928 790.0 0.638 0.638 0.537 0.000 -0.000 -0.000 3/32928 800.0 0.630 0.630 0.530 0.000 -0.000 -0.000 3/32928 810.0 0.623 0.623 0.523 0.000 -0.000 -0.000 3/32928 820.0 0.615 0.615 0.517 0.000 -0.000 -0.000 3/32928 830.0 0.608 0.608 0.511 0.000 -0.000 -0.000 3/32928 840.0 0.600 0.600 0.505 0.000 -0.000 -0.000 3/32928 850.0 0.593 0.593 0.499 0.000 -0.000 -0.000 3/32928 860.0 0.587 0.587 0.493 0.000 -0.000 -0.000 3/32928 870.0 0.580 0.580 0.488 0.000 -0.000 -0.000 3/32928 880.0 0.573 0.573 0.482 0.000 -0.000 -0.000 3/32928 890.0 0.567 0.567 0.477 0.000 -0.000 -0.000 3/32928 900.0 0.561 0.561 0.471 0.000 -0.000 -0.000 3/32928 910.0 0.555 0.555 0.466 0.000 -0.000 -0.000 3/32928 920.0 0.549 0.549 0.461 0.000 -0.000 -0.000 3/32928 930.0 0.543 0.543 0.456 0.000 -0.000 -0.000 3/32928 940.0 0.537 0.537 0.451 0.000 -0.000 -0.000 3/32928 950.0 0.531 0.531 0.447 0.000 -0.000 -0.000 3/32928 960.0 0.526 0.526 0.442 0.000 -0.000 -0.000 3/32928 970.0 0.521 0.521 0.438 0.000 -0.000 -0.000 3/32928 980.0 0.515 0.515 0.433 0.000 -0.000 -0.000 3/32928 990.0 0.510 0.510 0.429 0.000 -0.000 -0.000 3/32928 1000.0 0.505 0.505 0.425 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 18:33:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|