----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:00:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.957714521005606 1.130287005699023 7.371464416666659 b -1.957714521005601 1.130287005699023 7.371464416666659 c 0.000000000000002 -2.260574011398050 7.371464416666659 Atomic positions (fractional): *1 S 0.73330775826796 0.73330775826796 0.73330775826796 32.065 2 S 0.26669224173204 0.26669224173204 0.26669224173204 32.065 *3 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 *4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.915429042011207 0.000000000000000 0.000000000000000 b -1.957714521005603 3.390861017097073 0.000000000000000 c 0.000000000000000 0.000000000000000 22.114393249999999 Atomic positions (fractional): *1 S 0.66666666666667 0.33333333333333 0.06664109160129 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.26669224173204 32.065 > 2 3 S 0.33333333333333 0.66666666666667 0.39997442493463 32.065 > 1 4 S 0.66666666666667 0.33333333333333 0.60002557506537 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.73330775826796 32.065 > 1 6 S 0.33333333333333 0.66666666666667 0.93335890839871 32.065 > 2 *7 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 3 8 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 3 9 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 3 *10 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 4 11 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 12 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.746287126033621 0.000000000000000 0.000000000000000 b -5.873143563016809 10.172583051291220 0.000000000000000 c 0.000000000000000 0.000000000000000 22.114393249999999 Atomic positions (fractional): *1 S 0.22222222222222 0.11111111111111 0.06664109160129 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06664109160129 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06664109160129 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06664109160129 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06664109160129 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06664109160129 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06664109160129 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06664109160129 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06664109160129 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26669224173204 32.065 > 2 11 S 0.33333333333333 0.00000000000000 0.26669224173204 32.065 > 2 12 S 0.66666666666667 0.00000000000000 0.26669224173204 32.065 > 2 13 S 0.00000000000000 0.33333333333333 0.26669224173204 32.065 > 2 14 S 0.33333333333333 0.33333333333333 0.26669224173204 32.065 > 2 15 S 0.66666666666667 0.33333333333333 0.26669224173204 32.065 > 2 16 S 0.00000000000000 0.66666666666667 0.26669224173204 32.065 > 2 17 S 0.33333333333333 0.66666666666667 0.26669224173204 32.065 > 2 18 S 0.66666666666667 0.66666666666667 0.26669224173204 32.065 > 2 19 S 0.11111111111111 0.22222222222222 0.39997442493463 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.39997442493463 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.39997442493463 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.39997442493463 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.39997442493463 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.39997442493463 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.39997442493463 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.39997442493463 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.39997442493463 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.60002557506537 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.60002557506537 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.60002557506537 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.60002557506537 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.60002557506537 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.60002557506537 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.60002557506537 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.60002557506537 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.60002557506537 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.73330775826796 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73330775826796 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73330775826796 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73330775826796 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73330775826796 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73330775826796 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73330775826796 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73330775826796 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73330775826796 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93335890839871 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.93335890839871 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.93335890839871 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.93335890839871 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.93335890839871 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.93335890839871 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.93335890839871 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.93335890839871 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.93335890839871 32.065 > 2 *55 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 3 56 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 3 57 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 3 58 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 3 59 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 3 60 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 3 61 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 3 62 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 3 63 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 3 64 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 3 65 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 3 66 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 3 67 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 3 68 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 3 69 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 3 70 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 3 71 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 3 72 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 3 73 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 3 74 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 3 75 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 3 76 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 3 77 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 3 78 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 3 79 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 3 80 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 3 81 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 3 *82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 4 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 4 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 4 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 4 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 4 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 4 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 4 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 4 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 4 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 4 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 4 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 4 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 4 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 4 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 4 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 4 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 4 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 4 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 4 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 4 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 4 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 4 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 4 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 4 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 4 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6535932 0.0000000 0.0000000 0.0000000 7.6535932 0.0000000 0.0000000 0.0000000 8.2473502 -------------------------- Born effective charges -------------------------- 1 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 2 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 3 Er 4.2955870 0.0000000 0.0000000 0.0000000 4.2955870 0.0000000 0.0000000 0.0000000 2.7860414 4 Tl 1.7015039 -0.0000000 0.0000000 0.0000000 1.7015039 0.0000000 0.0000000 0.0000000 3.2497415 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 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: 0.111 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.118 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 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 2026-01-07 20:00:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.957714521005606 1.130287005699023 7.371464416666659 b -1.957714521005601 1.130287005699023 7.371464416666659 c 0.000000000000002 -2.260574011398050 7.371464416666659 Atomic positions (fractional): 1 S 0.73330775826796 0.73330775826796 0.73330775826796 32.065 2 S 0.26669224173204 0.26669224173204 0.26669224173204 32.065 3 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.746287126033621 0.000000000000000 0.000000000000000 b -5.873143563016809 10.172583051291220 0.000000000000000 c 0.000000000000000 0.000000000000000 22.114393249999999 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06664109160129 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06664109160129 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06664109160129 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06664109160129 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06664109160129 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06664109160129 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06664109160129 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06664109160129 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06664109160129 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26669224173204 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26669224173204 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26669224173204 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26669224173204 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26669224173204 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26669224173204 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26669224173204 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26669224173204 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26669224173204 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.39997442493463 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.39997442493463 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.39997442493463 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.39997442493463 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.39997442493463 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.39997442493463 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.39997442493463 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.39997442493463 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.39997442493463 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.60002557506537 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.60002557506537 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.60002557506537 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.60002557506537 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.60002557506537 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.60002557506537 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.60002557506537 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.60002557506537 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.60002557506537 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73330775826796 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73330775826796 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73330775826796 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73330775826796 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73330775826796 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73330775826796 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73330775826796 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73330775826796 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73330775826796 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93335890839871 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93335890839871 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93335890839871 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93335890839871 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93335890839871 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93335890839871 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93335890839871 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93335890839871 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93335890839871 32.065 > 10 55 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 55 56 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 55 57 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 55 58 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 55 59 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 55 60 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 55 61 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 55 62 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 55 63 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 55 64 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 55 65 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 55 66 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 55 67 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 55 68 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 55 69 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 55 70 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 55 71 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 55 72 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 55 73 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 55 74 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 55 75 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 55 76 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 55 77 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 55 78 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 55 79 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 55 80 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 55 81 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6535932 0.0000000 0.0000000 0.0000000 7.6535932 0.0000000 0.0000000 0.0000000 8.2473502 -------------------------- Born effective charges -------------------------- 1 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 2 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 3 Er 4.2955870 0.0000000 0.0000000 0.0000000 4.2955870 0.0000000 0.0000000 0.0000000 2.7860414 4 Tl 1.7015039 -0.0000000 0.0000000 0.0000000 1.7015039 0.0000000 0.0000000 0.0000000 3.2497415 ---------------------------------------------------------------------------- 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[ 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] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:00:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.957714521005606 1.130287005699023 7.371464416666659 b -1.957714521005601 1.130287005699023 7.371464416666659 c 0.000000000000002 -2.260574011398050 7.371464416666659 Atomic positions (fractional): 1 S 0.73330775826796 0.73330775826796 0.73330775826796 32.065 2 S 0.26669224173204 0.26669224173204 0.26669224173204 32.065 3 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.746287126033621 0.000000000000000 0.000000000000000 b -5.873143563016809 10.172583051291220 0.000000000000000 c 0.000000000000000 0.000000000000000 22.114393249999999 Atomic positions (fractional): 1 S 0.22222222222222 0.11111111111111 0.06664109160129 32.065 > 1 2 S 0.55555555555556 0.11111111111111 0.06664109160129 32.065 > 1 3 S 0.88888888888889 0.11111111111111 0.06664109160129 32.065 > 1 4 S 0.22222222222222 0.44444444444444 0.06664109160129 32.065 > 1 5 S 0.55555555555556 0.44444444444444 0.06664109160129 32.065 > 1 6 S 0.88888888888889 0.44444444444444 0.06664109160129 32.065 > 1 7 S 0.22222222222222 0.77777777777778 0.06664109160129 32.065 > 1 8 S 0.55555555555556 0.77777777777778 0.06664109160129 32.065 > 1 9 S 0.88888888888889 0.77777777777778 0.06664109160129 32.065 > 1 10 S 0.00000000000000 0.00000000000000 0.26669224173204 32.065 > 10 11 S 0.33333333333333 0.00000000000000 0.26669224173204 32.065 > 10 12 S 0.66666666666667 0.00000000000000 0.26669224173204 32.065 > 10 13 S 0.00000000000000 0.33333333333333 0.26669224173204 32.065 > 10 14 S 0.33333333333333 0.33333333333333 0.26669224173204 32.065 > 10 15 S 0.66666666666667 0.33333333333333 0.26669224173204 32.065 > 10 16 S 0.00000000000000 0.66666666666667 0.26669224173204 32.065 > 10 17 S 0.33333333333333 0.66666666666667 0.26669224173204 32.065 > 10 18 S 0.66666666666667 0.66666666666667 0.26669224173204 32.065 > 10 19 S 0.11111111111111 0.22222222222222 0.39997442493463 32.065 > 1 20 S 0.44444444444444 0.22222222222222 0.39997442493463 32.065 > 1 21 S 0.77777777777778 0.22222222222222 0.39997442493463 32.065 > 1 22 S 0.11111111111111 0.55555555555556 0.39997442493463 32.065 > 1 23 S 0.44444444444444 0.55555555555556 0.39997442493463 32.065 > 1 24 S 0.77777777777778 0.55555555555556 0.39997442493463 32.065 > 1 25 S 0.11111111111111 0.88888888888889 0.39997442493463 32.065 > 1 26 S 0.44444444444444 0.88888888888889 0.39997442493463 32.065 > 1 27 S 0.77777777777778 0.88888888888889 0.39997442493463 32.065 > 1 28 S 0.22222222222222 0.11111111111111 0.60002557506537 32.065 > 10 29 S 0.55555555555556 0.11111111111111 0.60002557506537 32.065 > 10 30 S 0.88888888888889 0.11111111111111 0.60002557506537 32.065 > 10 31 S 0.22222222222222 0.44444444444444 0.60002557506537 32.065 > 10 32 S 0.55555555555556 0.44444444444444 0.60002557506537 32.065 > 10 33 S 0.88888888888889 0.44444444444444 0.60002557506537 32.065 > 10 34 S 0.22222222222222 0.77777777777778 0.60002557506537 32.065 > 10 35 S 0.55555555555556 0.77777777777778 0.60002557506537 32.065 > 10 36 S 0.88888888888889 0.77777777777778 0.60002557506537 32.065 > 10 37 S 0.00000000000000 0.00000000000000 0.73330775826796 32.065 > 1 38 S 0.33333333333333 0.00000000000000 0.73330775826796 32.065 > 1 39 S 0.66666666666667 0.00000000000000 0.73330775826796 32.065 > 1 40 S 0.00000000000000 0.33333333333333 0.73330775826796 32.065 > 1 41 S 0.33333333333333 0.33333333333333 0.73330775826796 32.065 > 1 42 S 0.66666666666667 0.33333333333333 0.73330775826796 32.065 > 1 43 S 0.00000000000000 0.66666666666667 0.73330775826796 32.065 > 1 44 S 0.33333333333333 0.66666666666667 0.73330775826796 32.065 > 1 45 S 0.66666666666667 0.66666666666667 0.73330775826796 32.065 > 1 46 S 0.11111111111111 0.22222222222222 0.93335890839871 32.065 > 10 47 S 0.44444444444444 0.22222222222222 0.93335890839871 32.065 > 10 48 S 0.77777777777778 0.22222222222222 0.93335890839871 32.065 > 10 49 S 0.11111111111111 0.55555555555556 0.93335890839871 32.065 > 10 50 S 0.44444444444444 0.55555555555556 0.93335890839871 32.065 > 10 51 S 0.77777777777778 0.55555555555556 0.93335890839871 32.065 > 10 52 S 0.11111111111111 0.88888888888889 0.93335890839871 32.065 > 10 53 S 0.44444444444444 0.88888888888889 0.93335890839871 32.065 > 10 54 S 0.77777777777778 0.88888888888889 0.93335890839871 32.065 > 10 55 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 55 56 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 55 57 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 55 58 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 55 59 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 55 60 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 55 61 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 55 62 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 55 63 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 55 64 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 55 65 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 55 66 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 55 67 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 55 68 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 55 69 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 55 70 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 55 71 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 55 72 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 55 73 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 55 74 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 55 75 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 55 76 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 55 77 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 55 78 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 55 79 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 55 80 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 55 81 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 55 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6535932 0.0000000 0.0000000 0.0000000 7.6535932 0.0000000 0.0000000 0.0000000 8.2473502 -------------------------- Born effective charges -------------------------- 1 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 2 S -2.9985455 -0.0000000 0.0000000 0.0000000 -2.9985455 0.0000000 0.0000000 0.0000000 -3.0178915 3 Er 4.2955870 0.0000000 0.0000000 0.0000000 4.2955870 0.0000000 0.0000000 0.0000000 2.7860414 4 Tl 1.7015039 -0.0000000 0.0000000 0.0000000 1.7015039 0.0000000 0.0000000 0.0000000 3.2497415 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 301, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 8.201 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 14.944 8.628 -9.550) 19.722 0.325 ( 15.278 8.821 -12.765) 21.775 0.718 ( 26.043 15.036 16.882) 34.487 1.376 ( 2.412 1.392 -0.840) 2.909 1.527 ( 8.796 5.078 -1.358) 10.247 2.327 ( 0.822 0.474 10.648) 10.690 5.336 ( 2.245 1.296 -0.539) 2.648 6.348 ( -0.249 -0.144 -9.069) 9.074 6.579 ( -1.324 -0.765 0.940) 1.795 6.608 ( 2.197 1.268 -6.110) 6.616 8.055 ( -9.579 -5.530 3.966) 11.750 8.354 ( 2.853 1.647 0.573) 3.344 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 12.546 7.244 -11.632) 18.579 0.613 ( 13.463 7.773 -6.806) 16.970 1.187 ( 11.250 6.495 9.012) 15.811 1.462 ( 5.729 3.308 -1.720) 6.835 1.888 ( 22.515 12.999 3.824) 26.278 2.388 ( 2.625 1.516 0.728) 3.118 5.408 ( 4.349 2.511 -1.383) 5.208 6.292 ( -3.421 -1.975 -1.657) 4.284 6.541 ( -2.275 -1.313 1.786) 3.176 6.658 ( 3.995 2.306 -7.064) 8.437 7.825 ( -11.479 -6.627 4.228) 13.913 8.387 ( 0.225 0.130 -1.703) 1.722 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 9.707 5.604 -9.866) 14.932 0.862 ( 9.534 5.504 -3.794) 11.644 1.359 ( 3.844 2.220 2.484) 5.087 1.635 ( 10.119 5.842 -2.361) 11.921 2.433 ( 3.648 2.106 -1.376) 4.431 2.473 ( 23.754 13.714 2.461) 27.539 5.522 ( 6.127 3.537 -2.636) 7.550 6.177 ( -5.798 -3.348 -5.544) 8.693 6.490 ( -2.671 -1.542 2.566) 4.012 6.748 ( 5.265 3.040 -3.701) 7.118 7.568 ( -12.240 -7.067 5.128) 15.035 8.359 ( -1.856 -1.072 -2.923) 3.625 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 7.228 4.173 -7.231) 11.043 1.021 ( 5.440 3.141 -1.889) 6.559 1.410 ( 1.228 0.709 -2.582) 2.946 1.893 ( 12.596 7.272 -2.168) 14.705 2.446 ( -0.181 -0.105 -2.282) 2.292 3.031 ( 22.581 13.037 1.802) 26.136 5.666 ( 7.305 4.218 -4.118) 9.387 6.004 ( -6.825 -3.940 -11.086) 13.601 6.439 ( -2.627 -1.517 3.397) 4.554 6.866 ( 5.448 3.146 -0.322) 6.300 7.303 ( -12.541 -7.241 4.999) 15.320 8.295 ( -2.698 -1.558 -3.681) 4.823 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 3.351 1.934 -3.652) 5.320 1.110 ( 3.044 1.757 -0.987) 3.650 1.435 ( 3.177 1.834 -6.042) 7.068 2.165 ( 11.315 6.533 -1.484) 13.149 2.413 ( -2.590 -1.495 0.858) 3.111 3.490 ( 17.359 10.022 -0.136) 20.044 5.821 ( -5.551 -3.205 -13.570) 15.008 5.822 ( 7.491 4.325 -5.408) 10.201 6.393 ( -2.447 -1.413 4.288) 5.135 6.981 ( 3.748 2.164 2.994) 5.263 7.032 ( -11.743 -6.780 1.824) 13.682 8.225 ( -2.281 -1.317 -3.662) 4.511 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.825 -0.476 -2.140) 2.343 1.160 ( 1.627 0.939 -0.491) 1.942 1.545 ( 7.468 4.312 -4.592) 9.770 2.333 ( -4.827 -2.787 2.827) 6.250 2.379 ( 7.543 4.355 -0.821) 8.748 3.810 ( 10.842 6.260 -0.879) 12.550 5.687 ( -2.678 -1.546 -11.496) 11.905 5.963 ( 6.217 3.589 -5.688) 9.159 6.353 ( -2.246 -1.297 4.686) 5.355 6.774 ( -10.382 -5.994 2.540) 12.254 7.069 ( 2.801 1.617 0.808) 3.334 8.175 ( -1.269 -0.733 -2.706) 3.078 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.765 -0.442 -0.917) 1.273 1.183 ( 0.523 0.302 -0.148) 0.621 1.694 ( 4.948 2.857 -1.653) 5.947 2.232 ( -3.623 -2.092 1.754) 4.537 2.494 ( 2.620 1.513 -0.261) 3.037 3.973 ( 3.673 2.121 -0.453) 4.265 5.629 ( -0.481 -0.278 -4.643) 4.677 6.056 ( 2.733 1.578 -2.996) 4.351 6.322 ( -1.218 -0.703 2.597) 2.954 6.604 ( -4.309 -2.488 0.878) 5.053 7.113 ( 0.927 0.535 0.385) 1.138 8.151 ( -0.367 -0.212 -0.999) 1.085 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -0.000 15.944 14.849) 21.788 0.438 ( -0.000 19.606 3.922) 19.995 0.641 ( -0.000 28.252 6.484) 28.986 1.382 ( -0.000 3.216 0.488) 3.253 1.513 ( -0.000 10.462 -3.932) 11.177 2.378 ( -0.000 -3.860 19.286) 19.668 5.348 ( -0.000 3.081 2.032) 3.690 6.278 ( 0.000 5.165 -22.880) 23.455 6.565 ( 0.000 -2.109 -1.997) 2.905 6.618 ( -0.000 3.069 -2.675) 4.071 8.068 ( 0.000 -11.982 5.792) 13.309 8.359 ( -0.000 2.524 1.599) 2.988 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -3.628 13.673 11.272) 18.088 0.715 ( 2.891 20.152 -7.455) 21.680 1.085 ( 13.330 11.676 10.371) 20.533 1.444 ( 2.142 6.137 -0.028) 6.500 1.744 ( 12.733 17.963 0.485) 22.023 2.394 ( -0.267 1.226 5.514) 5.655 5.396 ( 0.939 4.577 1.282) 4.845 6.289 ( 1.432 -0.688 -6.607) 6.795 6.528 ( -0.034 -2.917 -2.713) 3.984 6.639 ( 0.061 4.042 -5.132) 6.533 7.902 ( -6.224 -12.055 4.989) 14.455 8.384 ( 0.114 1.149 -1.156) 1.634 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 7.359 7.639 2.440) 10.884 0.909 ( 2.342 14.306 -5.794) 15.612 1.319 ( 5.154 3.454 3.776) 7.263 1.581 ( 5.105 9.711 -0.975) 11.015 2.258 ( 21.056 21.060 3.480) 29.984 2.419 ( 0.507 1.837 -1.690) 2.547 5.481 ( 3.042 5.566 -0.164) 6.345 6.231 ( -4.729 -2.356 -3.825) 6.523 6.502 ( 0.233 -2.636 0.437) 2.682 6.686 ( 3.273 4.001 -6.610) 8.391 7.673 ( -8.558 -11.566 5.164) 15.286 8.370 ( -1.460 -0.625 -2.509) 2.970 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 8.953 4.279 -1.917) 10.107 1.041 ( 1.665 8.565 -3.275) 9.320 1.397 ( 1.234 1.306 -0.888) 2.004 1.803 ( 8.524 12.074 -1.524) 14.858 2.430 ( 0.550 0.229 -3.348) 3.400 2.825 ( 20.435 18.637 2.374) 27.759 5.605 ( 4.692 6.454 -1.911) 8.205 6.075 ( -8.046 -2.368 -8.269) 11.778 6.476 ( -1.656 -1.121 2.513) 3.211 6.788 ( 6.162 2.896 -3.999) 7.895 7.421 ( -9.734 -10.933 5.300) 15.568 8.312 ( -2.622 -1.740 -3.397) 4.631 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.419 2.730 -2.543) 8.304 1.118 ( 0.847 4.285 -1.560) 4.638 1.406 ( 0.395 1.534 -4.833) 5.086 2.075 ( 9.245 11.695 -1.383) 14.972 2.422 ( -0.221 -1.044 -0.646) 1.247 3.314 ( 17.052 14.317 0.519) 22.272 5.746 ( 4.883 6.059 -4.563) 9.021 5.889 ( -7.681 -0.074 -10.389) 12.921 6.441 ( -2.611 -0.179 3.390) 4.283 6.910 ( 6.208 1.571 -2.453) 6.858 7.161 ( -10.574 -9.562 5.086) 15.137 8.236 ( -2.466 -2.132 -3.687) 4.922 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 2.363 0.716 -1.948) 3.145 1.149 ( 0.712 1.689 -0.690) 1.959 1.456 ( 4.964 3.821 -5.195) 8.138 2.290 ( 4.517 2.855 0.241) 5.349 2.417 ( -0.230 5.183 0.720) 5.238 3.681 ( 12.390 8.942 -0.353) 15.284 5.714 ( -4.849 0.580 -10.920) 11.962 5.912 ( 4.242 7.680 -4.886) 10.043 6.401 ( -3.207 -0.607 4.340) 5.430 6.889 ( -8.477 -7.406 -0.939) 11.295 7.031 ( 2.810 1.102 2.986) 4.246 8.173 ( -1.214 -1.996 -2.985) 3.791 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.771 -0.881 -1.477) 1.885 1.184 ( 0.639 1.951 -0.386) 2.089 1.598 ( 7.600 2.967 -3.064) 8.715 2.266 ( -2.803 -4.328 2.468) 5.717 2.530 ( 0.475 10.414 -0.856) 10.460 3.906 ( 6.962 3.451 -0.162) 7.773 5.647 ( -1.967 3.032 -6.050) 7.047 6.037 ( 3.406 7.064 -5.420) 9.533 6.339 ( -3.431 -3.496 4.992) 6.994 6.698 ( -7.075 -1.882 0.035) 7.321 7.091 ( 2.114 0.318 0.606) 2.222 8.140 ( 0.173 -1.614 -1.216) 2.028 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.554 -0.157 0.065) 0.580 1.199 ( -0.726 1.433 -0.121) 1.611 1.693 ( 2.087 -2.060 -1.109) 3.135 2.202 ( -0.241 -1.324 -0.007) 1.346 2.587 ( -4.252 7.775 -0.448) 8.873 3.984 ( 0.764 -1.135 0.599) 1.494 5.660 ( -0.310 3.984 2.198) 4.560 6.123 ( -1.076 6.892 -2.734) 7.492 6.268 ( 0.599 -5.719 2.984) 6.478 6.625 ( -2.343 3.588 -1.034) 4.408 7.108 ( 0.297 -0.843 -0.689) 1.128 8.138 ( 1.066 -1.112 1.097) 1.891 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 1.634 0.392 1.599) 2.320 1.187 ( -1.860 0.481 0.196) 1.931 1.620 ( -4.927 -4.958 1.772) 7.211 2.241 ( 4.824 0.021 -2.896) 5.627 2.534 ( -9.044 4.888 0.121) 10.281 3.912 ( -6.393 -4.365 1.164) 7.828 5.720 ( 0.712 3.998 10.047) 10.837 6.083 ( -7.306 1.179 4.271) 8.544 6.300 ( 4.315 0.673 -3.219) 5.425 6.684 ( 4.953 5.346 -3.013) 7.887 7.081 ( -1.350 -2.140 -1.506) 2.944 8.160 ( 1.680 -0.431 3.054) 3.512 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.639 -1.972 2.347) 3.477 1.155 ( -1.390 0.292 0.612) 1.547 1.501 ( -4.543 -2.656 4.517) 6.935 2.284 ( -1.767 -2.398 -1.193) 3.209 2.411 ( -6.098 2.933 -0.651) 6.798 3.686 ( -14.218 -6.444 0.902) 15.636 5.827 ( 2.535 4.107 13.795) 14.615 5.958 ( -8.614 -0.578 5.081) 10.018 6.363 ( 2.089 2.860 -4.026) 5.362 6.868 ( 11.015 5.343 -5.456) 13.403 7.014 ( -2.640 -3.410 -0.758) 4.379 8.205 ( 2.395 0.393 4.000) 4.678 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -5.118 -5.889 3.471) 8.539 1.133 ( -3.270 0.998 1.611) 3.779 1.447 ( -2.374 -0.334 4.105) 4.754 2.088 ( -14.327 -2.346 1.512) 14.597 2.425 ( 2.524 0.022 -0.010) 2.524 3.310 ( -21.700 -7.729 -0.310) 23.037 5.787 ( -9.004 -2.238 4.613) 10.361 5.993 ( 4.198 5.305 12.349) 14.080 6.408 ( 1.711 2.451 -3.912) 4.923 6.912 ( -3.941 -2.991 -2.263) 5.441 7.119 ( 13.424 3.803 -3.964) 14.505 8.271 ( 2.947 1.004 3.792) 4.906 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -7.433 -8.556 4.722) 12.278 1.070 ( -6.702 2.094 3.043) 7.653 1.404 ( -3.689 -0.864 0.709) 3.854 1.820 ( -14.500 -1.904 2.049) 14.768 2.454 ( 0.321 -0.462 1.876) 1.958 2.806 ( -27.486 -8.132 -1.883) 28.725 5.626 ( -8.307 -2.130 2.798) 9.021 6.148 ( 4.302 4.244 7.687) 9.778 6.449 ( 2.324 1.156 -3.322) 4.216 6.809 ( -4.316 -2.490 0.558) 5.014 7.378 ( 14.134 3.344 -4.152) 15.106 8.340 ( 2.642 0.986 2.713) 3.913 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -10.109 -8.843 4.396) 14.132 0.959 ( -11.219 3.360 4.756) 12.640 1.289 ( -8.257 -2.318 -2.640) 8.973 1.592 ( -11.027 -0.652 1.404) 11.135 2.230 ( -29.480 -6.175 -2.530) 30.225 2.433 ( -2.873 -0.624 1.230) 3.186 5.488 ( -6.521 -1.255 1.297) 6.766 6.258 ( 3.190 2.073 1.893) 4.249 6.491 ( 2.988 0.004 -1.663) 3.420 6.727 ( -3.827 -0.931 2.221) 4.522 7.637 ( 14.047 2.358 -2.344) 14.435 8.387 ( 1.134 0.397 1.288) 1.762 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -11.781 0.000 0.000) 11.781 0.757 ( -17.061 0.000 0.000) 17.061 1.030 ( -20.264 0.000 0.000) 20.264 1.444 ( -6.250 0.000 0.000) 6.250 1.743 ( -20.983 0.000 0.000) 20.983 2.366 ( -4.195 0.000 0.000) 4.195 5.390 ( -4.498 0.000 0.000) 4.498 6.319 ( 2.872 -0.000 -0.000) 2.872 6.539 ( 2.809 -0.000 -0.000) 2.809 6.667 ( -3.346 0.000 0.000) 3.346 7.878 ( 12.814 -0.000 -0.000) 12.814 8.390 ( -1.337 0.000 0.000) 1.337 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 11.471 9.776) 15.071 0.797 ( -0.000 14.438 3.138) 14.775 1.121 ( -0.000 15.381 6.650) 16.757 1.495 ( -0.000 7.944 1.870) 8.161 1.836 ( -0.000 24.682 -1.854) 24.751 2.428 ( -0.000 1.357 4.267) 4.477 5.455 ( -0.000 6.009 3.485) 6.947 6.244 ( 0.000 0.970 -6.923) 6.990 6.491 ( 0.000 -3.564 -3.475) 4.977 6.664 ( -0.000 3.510 -4.804) 5.949 7.831 ( 0.000 -14.957 4.283) 15.558 8.393 ( -0.000 0.814 -1.191) 1.443 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -7.291 11.856 10.286) 17.307 0.987 ( 2.236 10.493 -1.689) 10.860 1.298 ( 3.518 6.637 3.851) 8.442 1.621 ( 2.900 11.124 1.544) 11.599 2.210 ( 12.149 27.281 0.508) 29.868 2.442 ( -0.811 2.055 -0.397) 2.245 5.528 ( 0.008 7.421 2.875) 7.958 6.247 ( -0.241 -0.555 -2.605) 2.675 6.448 ( 1.136 -3.024 -3.211) 4.555 6.679 ( 0.174 3.203 -6.516) 7.263 7.658 ( -3.768 -15.238 4.107) 16.225 8.382 ( -1.174 -0.335 -1.862) 2.226 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -1.525 9.944 6.704) 12.089 1.091 ( 0.874 6.765 -1.427) 6.969 1.389 ( 1.403 2.872 -0.492) 3.234 1.816 ( 5.317 13.734 0.262) 14.730 2.425 ( -0.758 0.711 -2.980) 3.156 2.727 ( 15.831 23.913 1.267) 28.706 5.626 ( 1.559 8.590 1.288) 8.824 6.163 ( -6.485 -1.466 -5.266) 8.482 6.466 ( 2.493 -1.134 1.247) 3.009 6.711 ( 3.297 2.487 -7.337) 8.419 7.443 ( -5.670 -14.461 4.484) 16.167 8.333 ( -2.711 -1.432 -2.793) 4.147 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 2.227 7.343 2.954) 8.222 1.146 ( 0.124 3.385 -0.525) 3.428 1.410 ( -0.246 1.984 -4.106) 4.566 2.062 ( 7.007 13.697 -0.589) 15.397 2.413 ( 0.078 0.069 -0.528) 0.538 3.203 ( 14.688 18.442 0.062) 23.577 5.749 ( 2.324 8.754 -1.563) 9.191 6.004 ( -8.240 0.553 -7.229) 10.976 6.486 ( -0.723 0.770 2.450) 2.668 6.796 ( 6.496 0.435 -5.604) 8.590 7.217 ( -6.620 -12.408 4.812) 14.864 8.251 ( -3.299 -2.197 -3.784) 5.480 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 2.598 4.389 0.901) 5.180 1.160 ( -0.349 1.064 -0.458) 1.210 1.427 ( 1.438 3.544 -4.418) 5.843 2.256 ( 3.410 3.312 0.113) 4.755 2.467 ( 2.634 9.052 1.425) 9.534 3.575 ( 11.458 11.698 -0.493) 16.382 5.790 ( -4.899 3.676 -8.945) 10.841 5.942 ( 0.188 7.775 -2.029) 8.038 6.474 ( -3.108 1.705 2.676) 4.442 6.854 ( 2.308 -5.635 -4.968) 7.859 7.046 ( -2.747 -4.237 5.626) 7.560 8.166 ( -2.210 -2.669 -4.161) 5.415 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.967 -0.801 -1.216) 1.749 1.196 ( 1.097 3.595 0.132) 3.761 1.511 ( 4.941 3.528 -2.189) 6.454 2.263 ( -0.916 -3.692 2.714) 4.673 2.643 ( 1.449 14.949 -0.465) 15.026 3.818 ( 7.690 4.750 -0.129) 9.040 5.721 ( -4.029 5.442 -6.331) 9.270 6.039 ( 2.447 6.109 -3.154) 7.297 6.422 ( -5.829 1.039 3.507) 6.882 6.753 ( -2.852 -5.125 -1.780) 6.129 7.065 ( 1.989 0.937 2.221) 3.125 8.108 ( 0.065 -2.840 -3.002) 4.133 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.043 -0.697 -0.632) 0.942 1.234 ( -0.667 3.175 0.003) 3.244 1.613 ( 4.430 -0.152 -1.422) 4.655 2.205 ( -1.980 -2.992 1.656) 3.951 2.767 ( -3.854 13.885 -0.927) 14.439 3.935 ( 3.835 -0.784 0.675) 3.972 5.730 ( -1.315 6.994 -0.432) 7.130 6.116 ( 4.035 0.814 -2.777) 4.965 6.334 ( -7.460 3.434 3.429) 8.900 6.688 ( -1.801 0.277 -0.919) 2.041 7.095 ( 0.263 0.209 -0.545) 0.640 8.096 ( 2.046 -2.453 -0.233) 3.203 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 1.705 0.050 0.693) 1.841 1.236 ( -2.260 2.132 0.174) 3.112 1.621 ( -0.583 -4.059 -0.668) 4.155 2.176 ( 1.218 -0.962 -1.275) 2.009 2.770 ( -9.545 10.381 -0.527) 14.112 3.940 ( -1.037 -3.659 1.209) 3.990 5.791 ( -0.228 5.885 5.998) 8.406 6.180 ( 3.242 -4.115 3.805) 6.474 6.279 ( -4.890 9.564 -2.180) 10.961 6.682 ( 0.043 2.441 -1.643) 2.943 7.074 ( -1.187 -1.639 -2.714) 3.385 8.123 ( 2.809 -1.478 2.529) 4.059 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.460 -0.094 1.553) 2.133 1.198 ( -3.495 0.370 0.330) 3.530 1.546 ( -2.831 -3.159 1.345) 4.450 2.210 ( 4.044 -0.998 -2.712) 4.971 2.647 ( -13.677 5.644 -0.021) 14.795 3.830 ( -7.962 -4.316 1.089) 9.122 5.879 ( 1.596 4.867 10.195) 11.409 6.114 ( -7.579 -0.780 4.727) 8.966 6.359 ( 2.133 6.724 -2.748) 7.570 6.743 ( 5.826 2.398 -3.445) 7.181 7.013 ( -1.910 -3.242 -3.076) 4.860 8.173 ( 2.959 -0.372 3.728) 4.774 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -5.098 -2.681 1.841) 6.047 1.168 ( -0.510 0.514 0.433) 0.843 1.494 ( -2.015 -0.529 2.622) 3.349 2.245 ( -0.683 -0.954 -1.039) 1.567 2.452 ( -10.423 1.487 -0.107) 10.529 3.584 ( -16.381 -3.982 0.445) 16.864 5.950 ( -8.802 0.455 5.776) 10.538 6.017 ( 2.261 3.329 7.689) 8.679 6.417 ( -0.444 4.151 -2.579) 4.907 6.908 ( 10.839 2.586 -6.621) 12.961 6.935 ( -1.432 -4.145 0.662) 4.435 8.236 ( 3.188 0.373 3.226) 4.551 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -7.732 -3.009 1.749) 8.479 1.155 ( -2.120 0.478 0.488) 2.227 1.462 ( -2.814 0.007 1.393) 3.140 2.074 ( -15.194 -0.263 0.681) 15.211 2.421 ( 2.750 -0.304 0.123) 2.769 3.200 ( -24.438 -2.907 -0.245) 24.611 5.779 ( -10.367 -0.693 1.771) 10.540 6.141 ( 3.984 2.879 6.047) 7.793 6.428 ( 0.044 1.278 -2.498) 2.806 6.852 ( -3.281 -1.686 -0.697) 3.755 7.143 ( 14.369 0.968 -2.299) 14.584 8.304 ( 3.234 0.459 1.707) 3.686 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -9.971 0.000 0.000) 9.971 1.103 ( -4.720 0.000 0.000) 4.720 1.395 ( -5.358 0.000 0.000) 5.358 1.813 ( -14.607 0.000 0.000) 14.607 2.454 ( 0.525 -0.000 -0.000) 0.525 2.715 ( -29.857 0.000 0.000) 29.857 5.613 ( -8.700 0.000 0.000) 8.700 6.224 ( 2.990 -0.000 -0.000) 2.990 6.444 ( 1.908 -0.000 -0.000) 1.908 6.786 ( -3.471 0.000 0.000) 3.471 7.395 ( 14.893 -0.000 -0.000) 14.893 8.360 ( 2.562 -0.000 -0.000) 2.562 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -0.000 5.888 3.984) 7.109 1.041 ( -0.000 8.720 2.648) 9.114 1.357 ( -0.000 6.853 3.796) 7.835 1.713 ( -0.000 12.141 2.659) 12.429 2.396 ( -0.000 28.379 0.143) 28.379 2.469 ( -0.000 3.822 -1.746) 4.201 5.619 ( -0.000 8.173 3.601) 8.931 6.247 ( -0.000 1.820 -0.265) 1.839 6.394 ( 0.000 -3.750 -3.665) 5.243 6.683 ( 0.000 1.931 -8.039) 8.267 7.540 ( 0.000 -16.700 3.297) 17.023 8.385 ( 0.000 -0.543 -1.561) 1.653 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.341 6.420 4.532) 8.539 1.131 ( 0.785 4.957 1.153) 5.149 1.416 ( -0.452 4.311 0.209) 4.340 1.876 ( 3.540 13.052 1.536) 13.610 2.443 ( -1.268 -0.207 -2.357) 2.685 2.781 ( 7.887 28.510 0.268) 29.583 5.710 ( 0.067 8.931 2.480) 9.269 6.234 ( -4.140 0.328 -1.532) 4.426 6.393 ( 4.275 -0.857 -0.117) 4.362 6.673 ( 0.788 0.864 -9.607) 9.677 7.366 ( -2.187 -16.370 3.367) 16.856 8.356 ( -2.004 -0.984 -1.878) 2.918 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -1.491 6.698 4.230) 8.061 1.173 ( -0.169 1.921 0.795) 2.086 1.431 ( -0.963 2.834 -3.631) 4.705 2.085 ( 5.399 12.117 -0.141) 13.266 2.420 ( -0.086 0.428 0.340) 0.553 3.191 ( 9.788 22.436 -0.427) 24.482 5.814 ( 0.903 9.250 0.080) 9.295 6.128 ( -7.166 1.148 -3.595) 8.099 6.478 ( 3.728 1.232 2.502) 4.656 6.683 ( 3.785 -0.673 -8.780) 9.585 7.176 ( -3.132 -14.521 3.485) 15.259 8.285 ( -3.891 -1.465 -2.945) 5.096 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.303 5.495 3.434) 6.487 1.172 ( -0.367 0.106 -0.209) 0.435 1.437 ( 0.040 3.291 -4.026) 5.200 2.234 ( 2.427 2.156 -0.043) 3.247 2.511 ( 4.861 10.481 2.958) 11.926 3.530 ( 8.379 14.689 -1.036) 16.942 5.888 ( -2.566 6.947 -5.999) 9.531 6.038 ( -4.219 5.050 0.100) 6.581 6.536 ( -0.019 3.177 0.064) 3.178 6.724 ( 4.758 -4.723 -3.546) 7.584 7.024 ( -0.761 -8.823 3.208) 9.419 8.184 ( -4.384 -2.039 -4.419) 6.550 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -2.004 -1.199 -0.537) 2.396 1.221 ( 1.335 5.045 1.511) 5.433 1.482 ( 2.199 3.288 -1.381) 4.189 2.247 ( 0.041 -2.622 2.853) 3.875 2.748 ( 5.006 15.860 1.119) 16.669 3.751 ( 5.809 6.328 -0.839) 8.631 5.847 ( -5.414 6.904 -5.989) 10.623 6.063 ( -0.555 3.451 0.033) 3.496 6.545 ( -3.088 4.489 -1.235) 5.587 6.696 ( 0.674 -6.603 0.743) 6.679 7.029 ( 4.292 -0.859 2.499) 5.040 8.083 ( -2.523 -2.848 -5.097) 6.361 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.831 -1.201 -0.835) 1.682 1.283 ( -0.312 4.717 0.778) 4.791 1.550 ( 2.991 0.774 -0.019) 3.089 2.215 ( -1.582 -2.672 2.752) 4.149 2.959 ( -0.180 16.876 -0.226) 16.878 3.855 ( 4.000 -1.131 0.063) 4.157 5.840 ( -2.964 8.526 -2.458) 9.355 6.061 ( 0.452 -2.371 0.486) 2.462 6.516 ( -5.596 5.982 -1.651) 8.356 6.675 ( 1.173 -1.778 2.218) 3.075 7.096 ( 1.453 1.195 0.466) 1.938 8.027 ( 1.391 -3.344 -3.242) 4.860 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 1.071 -0.395 -0.064) 1.143 1.305 ( -2.288 3.767 0.544) 4.441 1.577 ( 1.117 -2.669 -0.605) 2.956 2.169 ( -1.536 -1.398 0.615) 2.166 3.044 ( -8.106 14.147 -0.723) 16.321 3.884 ( 3.017 -4.675 0.961) 5.647 5.871 ( -1.423 5.033 0.160) 5.233 6.089 ( 4.434 -0.314 5.222) 6.857 6.465 ( -6.039 5.578 -4.167) 9.217 6.699 ( 0.052 1.932 3.534) 4.028 7.085 ( -2.421 -0.473 -3.553) 4.325 8.046 ( 4.360 -2.433 0.384) 5.008 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.336 0.045 0.622) 2.418 1.278 ( -4.379 1.770 0.458) 4.745 1.544 ( -0.644 -2.995 -0.533) 3.109 2.151 ( 0.928 -0.663 -1.151) 1.620 2.955 ( -14.364 7.766 -0.422) 16.334 3.869 ( -0.786 -3.692 0.964) 3.896 5.906 ( 1.678 1.937 2.771) 3.775 6.193 ( 0.875 2.068 9.199) 9.469 6.415 ( -1.993 4.867 -7.035) 8.784 6.723 ( -1.292 2.981 2.976) 4.406 7.004 ( -2.486 -3.243 -5.389) 6.763 8.113 ( 4.536 -0.944 2.268) 5.158 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.347 -0.266 0.678) 0.807 1.204 ( -4.393 0.071 0.178) 4.397 1.514 ( -0.620 -0.795 0.486) 1.119 2.182 ( 3.586 -0.514 -1.125) 3.794 2.730 ( -16.962 2.331 -0.027) 17.121 3.771 ( -8.320 -1.812 0.421) 8.526 5.987 ( 4.488 1.414 3.286) 5.739 6.138 ( -9.311 0.632 3.567) 9.991 6.469 ( 0.899 4.111 -1.551) 4.485 6.755 ( 4.325 0.684 -0.279) 4.388 6.929 ( -1.178 -2.675 -2.891) 4.111 8.186 ( 3.833 -0.075 1.728) 4.205 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -6.317 0.000 0.000) 6.317 1.175 ( -0.357 0.000 0.000) 0.357 1.499 ( -1.276 0.000 0.000) 1.276 2.232 ( 0.332 -0.000 -0.000) 0.332 2.467 ( -12.462 0.000 0.000) 12.462 3.545 ( -17.114 0.000 0.000) 17.114 5.965 ( -11.114 0.000 0.000) 11.114 6.087 ( 5.007 -0.000 -0.000) 5.007 6.459 ( -2.673 0.000 0.000) 2.673 6.887 ( -2.029 0.000 0.000) 2.029 6.910 ( 12.419 -0.000 -0.000) 12.419 8.251 ( 3.485 -0.000 -0.000) 3.485 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.000 2.897 0.777) 2.999 1.178 ( -0.000 3.854 2.461) 4.573 1.465 ( -0.000 3.522 -0.819) 3.616 1.971 ( -0.000 12.245 1.034) 12.288 2.432 ( 0.000 -2.579 -2.763) 3.779 3.009 ( -0.000 29.141 0.791) 29.151 5.797 ( -0.000 7.684 0.829) 7.728 6.313 ( -0.000 3.865 2.943) 4.858 6.321 ( 0.000 -1.505 -1.006) 1.811 6.632 ( 0.000 -1.151 -11.652) 11.709 7.232 ( 0.000 -16.010 2.996) 16.288 8.362 ( 0.000 -0.682 -1.280) 1.450 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.344 2.901 0.648) 2.993 1.203 ( -0.966 1.240 2.017) 2.558 1.473 ( -1.531 2.622 -3.646) 4.744 2.118 ( 3.208 10.377 -0.342) 10.866 2.401 ( 1.382 -2.497 -0.592) 2.915 3.315 ( 3.410 24.834 0.445) 25.071 5.874 ( 1.350 6.474 -1.718) 6.832 6.249 ( -5.687 2.257 0.153) 6.120 6.424 ( 4.757 2.649 2.521) 6.000 6.592 ( 1.779 -2.776 -9.994) 10.524 7.079 ( -1.334 -13.820 2.436) 14.096 8.328 ( -2.807 -0.603 -1.577) 3.275 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.850 3.095 0.777) 3.688 1.181 ( -2.202 -0.721 1.159) 2.590 1.463 ( -0.825 2.805 -4.050) 4.995 2.220 ( 1.162 1.482 0.009) 1.884 2.497 ( 7.976 6.562 1.985) 10.517 3.588 ( 3.351 17.835 -0.323) 18.150 5.955 ( 1.149 6.193 -4.804) 7.921 6.176 ( -6.160 4.017 1.572) 7.520 6.509 ( 3.338 -1.002 -7.909) 8.643 6.606 ( 4.691 -1.273 4.111) 6.366 6.946 ( -0.744 -9.396 0.752) 9.455 8.245 ( -5.317 -0.794 -2.926) 6.121 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -2.280 -2.353 -0.785) 3.369 1.246 ( 2.361 4.541 1.822) 5.433 1.483 ( 0.808 2.706 -1.440) 3.170 2.229 ( 0.473 -1.831 2.775) 3.358 2.759 ( 10.458 11.374 1.275) 15.504 3.763 ( 1.298 9.611 -0.742) 9.726 5.980 ( -3.310 6.861 -6.699) 10.145 6.134 ( -4.304 2.240 3.376) 5.911 6.502 ( 3.978 -5.138 -8.531) 10.724 6.702 ( 0.972 3.086 8.582) 9.171 6.913 ( 5.607 -3.778 -0.582) 6.786 8.121 ( -6.158 -1.434 -4.684) 7.869 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -1.507 -1.722 -0.882) 2.452 1.330 ( 1.244 4.775 1.155) 5.068 1.522 ( 1.431 0.743 0.681) 1.750 2.221 ( -0.566 -1.744 3.168) 3.660 3.055 ( 8.447 14.110 0.778) 16.464 3.813 ( -0.846 0.724 -0.745) 1.340 5.970 ( -3.784 7.392 -5.809) 10.134 6.071 ( -3.570 -1.651 4.781) 6.191 6.503 ( 3.674 -4.157 -7.242) 9.123 6.747 ( -2.607 6.038 7.186) 9.742 7.030 ( 7.822 -0.120 0.828) 7.866 7.997 ( -3.653 -2.542 -5.155) 6.810 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.046 -0.752 -0.389) 0.848 1.382 ( -1.094 4.730 0.678) 4.902 1.536 ( 0.729 -2.316 0.486) 2.476 2.193 ( -1.908 -1.010 1.601) 2.687 3.286 ( -0.913 16.023 0.137) 16.049 3.772 ( 1.641 -7.265 -0.069) 7.448 5.925 ( -2.915 -0.213 -3.934) 4.901 6.089 ( 0.871 5.653 7.851) 9.714 6.484 ( 1.314 -4.016 -7.861) 8.924 6.791 ( -2.287 6.948 7.185) 10.254 7.106 ( -0.075 0.050 -2.114) 2.116 7.947 ( 2.783 -2.657 -2.408) 4.539 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 1.736 -0.128 0.051) 1.742 1.379 ( -4.307 2.805 0.593) 5.174 1.515 ( 0.484 -2.619 -0.437) 2.699 2.155 ( -1.703 -0.367 0.098) 1.745 3.274 ( -13.863 7.885 -0.361) 15.952 3.786 ( 6.158 -4.405 0.523) 7.589 5.890 ( 0.520 -0.618 -0.809) 1.143 6.219 ( 3.741 6.253 9.064) 11.630 6.421 ( -1.235 -3.863 -8.649) 9.553 6.842 ( -2.476 6.563 7.431) 10.219 7.016 ( -5.707 -3.479 -6.295) 9.181 8.013 ( 6.298 -1.035 0.329) 6.391 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 2.498 -0.000 -0.000) 2.498 1.300 ( -5.924 0.000 0.000) 5.924 1.511 ( 0.326 -0.000 -0.000) 0.326 2.141 ( 0.609 -0.000 -0.000) 0.609 3.036 ( -16.956 0.000 0.000) 16.956 3.831 ( 0.146 -0.000 -0.000) 0.146 5.924 ( 3.556 -0.000 -0.000) 3.556 6.293 ( -6.796 0.000 0.000) 6.796 6.393 ( 7.460 -0.000 -0.000) 7.460 6.819 ( -7.947 0.000 0.000) 7.947 6.909 ( 0.402 -0.000 -0.000) 0.402 8.111 ( 5.292 -0.000 -0.000) 5.292 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 1.516 -0.569) 1.619 1.223 ( 0.000 -0.578 1.386) 1.501 1.495 ( 0.000 1.679 -5.047) 5.319 2.190 ( -0.000 9.746 -0.804) 9.779 2.336 ( 0.000 -5.473 -0.830) 5.536 3.532 ( -0.000 22.964 0.900) 22.982 5.891 ( -0.000 2.653 -4.478) 5.205 6.354 ( -0.000 3.960 4.161) 5.744 6.390 ( 0.000 1.428 -6.869) 7.016 6.526 ( 0.000 -2.225 -0.596) 2.304 6.971 ( 0.000 -11.151 0.637) 11.169 8.348 ( 0.000 -0.032 -0.752) 0.753 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 1.402 0.912 -0.655) 1.796 1.201 ( -0.847 -1.885 0.314) 2.091 1.486 ( -0.625 1.677 -4.980) 5.292 2.228 ( -1.339 -0.152 0.319) 1.385 2.394 ( 8.893 3.348 -0.278) 9.506 3.742 ( 0.184 17.878 0.555) 17.888 5.931 ( 4.055 2.114 -5.226) 6.944 6.310 ( -3.752 1.656 -5.219) 6.637 6.407 ( 0.231 -2.572 -3.407) 4.276 6.570 ( 2.980 2.320 9.125) 9.876 6.874 ( -0.241 -7.009 -2.056) 7.308 8.316 ( -3.647 0.138 -1.101) 3.812 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.652 -2.786 -1.131) 3.431 1.232 ( 3.549 2.102 0.712) 4.186 1.491 ( 0.472 1.954 -2.304) 3.058 2.211 ( 0.426 -1.868 2.370) 3.048 2.632 ( 13.240 5.635 -0.533) 14.399 3.878 ( -1.682 11.460 0.223) 11.584 6.020 ( 3.299 4.509 -6.174) 8.327 6.264 ( -4.686 2.941 1.741) 5.800 6.341 ( 2.188 -8.353 -4.354) 9.670 6.689 ( 4.956 2.517 6.315) 8.413 6.827 ( 0.946 -2.079 -2.266) 3.217 8.220 ( -6.878 -0.107 -2.367) 7.275 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.586 -1.887 -0.869) 2.613 1.326 ( 3.957 2.633 0.727) 4.808 1.517 ( 0.661 1.038 0.151) 1.240 2.215 ( 0.607 -1.166 2.607) 2.920 2.940 ( 15.778 6.335 -0.121) 17.003 3.901 ( -5.180 4.730 -0.092) 7.015 6.058 ( -2.391 4.305 -7.702) 9.142 6.173 ( -5.818 -0.217 8.026) 9.915 6.357 ( 5.753 -4.309 -5.644) 9.139 6.828 ( 3.890 3.367 5.514) 7.541 6.858 ( 7.073 -0.741 -1.651) 7.301 8.075 ( -8.210 -0.750 -3.371) 8.907 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.797 -0.710 -0.358) 1.126 1.412 ( 2.780 2.694 0.177) 3.875 1.520 ( -0.789 -0.981 0.727) 1.454 2.214 ( -0.726 -0.471 1.332) 1.589 3.276 ( 15.509 6.728 0.354) 16.909 3.792 ( -9.222 -1.529 -0.368) 9.355 5.973 ( -5.124 -0.910 -2.516) 5.780 6.181 ( -1.141 6.077 6.293) 8.822 6.367 ( 3.386 -5.239 -6.307) 8.871 6.886 ( -0.324 3.465 3.387) 4.857 7.030 ( 9.083 -0.156 -0.191) 9.086 7.933 ( -4.963 -1.172 -2.429) 5.648 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.448 -0.000 -0.000) 0.448 1.471 ( -3.560 0.000 0.000) 3.560 1.474 ( 2.105 -0.000 -0.000) 2.105 2.189 ( -2.074 0.000 0.000) 2.074 3.567 ( -13.880 0.000 0.000) 13.880 3.580 ( 13.636 -0.000 -0.000) 13.636 5.898 ( -2.402 0.000 0.000) 2.402 6.231 ( 1.025 -0.000 -0.000) 1.025 6.369 ( 2.090 -0.000 -0.000) 2.090 6.906 ( -0.400 0.000 0.000) 0.400 7.085 ( -2.685 0.000 0.000) 2.685 7.911 ( 3.583 -0.000 -0.000) 3.583 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 0.733 -0.841) 1.116 1.176 ( 0.000 -3.800 -1.137) 3.966 1.486 ( 0.000 0.829 -5.161) 5.227 2.230 ( 0.000 -5.008 1.275) 5.168 2.340 ( -0.000 6.173 -1.331) 6.315 3.906 ( -0.000 14.294 0.506) 14.303 5.876 ( 0.000 -0.222 -4.888) 4.893 6.252 ( 0.000 -4.846 -12.660) 13.556 6.484 ( -0.000 5.311 4.528) 6.979 6.587 ( -0.000 0.340 13.375) 13.379 6.805 ( 0.000 -3.990 -6.680) 7.781 8.351 ( -0.000 0.500 -0.262) 0.564 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.047 -2.782 -1.332) 3.257 1.180 ( 3.385 0.183 -0.427) 3.417 1.486 ( 0.771 0.844 -3.023) 3.231 2.191 ( 0.200 -2.634 1.684) 3.133 2.470 ( 9.124 3.483 -1.161) 9.835 4.012 ( -1.411 9.172 0.327) 9.285 5.928 ( 7.185 0.834 -3.614) 8.086 6.185 ( 1.449 -4.387 -8.584) 9.748 6.443 ( -8.179 0.627 6.133) 10.242 6.674 ( 2.585 1.844 8.110) 8.709 6.775 ( 2.170 -0.729 -6.489) 6.881 8.317 ( -4.349 0.404 -0.548) 4.402 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.123 -1.403 -0.641) 1.908 1.262 ( 5.184 0.705 0.178) 5.235 1.508 ( 1.340 0.649 -0.653) 1.626 2.194 ( 1.329 -0.912 1.318) 2.082 2.702 ( 15.103 1.937 -0.638) 15.240 4.032 ( -4.149 3.956 0.195) 5.736 6.075 ( 5.127 4.660 -4.319) 8.165 6.169 ( 5.170 -6.379 -0.769) 8.247 6.316 ( -7.117 0.334 2.631) 7.595 6.722 ( 2.698 0.035 -0.273) 2.712 6.833 ( 3.727 1.225 0.961) 4.039 8.210 ( -8.001 0.070 -0.945) 8.057 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -1.174 0.000 0.000) 1.174 1.354 ( 4.847 -0.000 -0.000) 4.847 1.526 ( 0.229 -0.000 -0.000) 0.229 2.213 ( 0.829 -0.000 -0.000) 0.829 3.002 ( 18.247 -0.000 -0.000) 18.247 3.947 ( -7.921 0.000 0.000) 7.921 6.063 ( -5.507 0.000 0.000) 5.507 6.235 ( 2.664 -0.000 -0.000) 2.664 6.269 ( 0.892 -0.000 -0.000) 0.892 6.836 ( 10.951 -0.000 -0.000) 10.951 6.892 ( 1.924 -0.000 -0.000) 1.924 8.056 ( -9.221 0.000 0.000) 9.221 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 -2.386 -1.239) 2.689 1.145 ( -0.000 0.217 -0.376) 0.434 1.474 ( 0.000 0.248 -1.943) 1.959 2.167 ( 0.000 -1.918 0.887) 2.113 2.416 ( -0.000 2.111 -0.601) 2.195 4.095 ( -0.000 4.749 0.114) 4.750 5.848 ( 0.000 -0.287 -1.906) 1.927 6.124 ( 0.000 -2.166 -4.523) 5.015 6.582 ( -0.000 2.194 1.740) 2.800 6.641 ( -0.000 -2.300 10.374) 10.626 6.736 ( 0.000 1.400 -8.237) 8.355 8.359 ( -0.000 0.307 -0.032) 0.309 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.445 0.000 0.000) 0.445 1.182 ( 3.954 -0.000 -0.000) 3.954 1.485 ( 1.342 -0.000 -0.000) 1.342 2.168 ( 1.046 -0.000 -0.000) 1.046 2.502 ( 8.747 -0.000 -0.000) 8.747 4.104 ( -1.803 0.000 0.000) 1.803 5.926 ( 9.126 -0.000 -0.000) 9.126 6.110 ( 0.407 -0.000 -0.000) 0.407 6.466 ( -9.071 0.000 0.000) 9.071 6.721 ( -0.948 0.000 0.000) 0.948 6.750 ( 6.400 -0.000 -0.000) 6.400 8.320 ( -4.630 0.000 0.000) 4.630 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -0.000 -0.000 20.551) 20.551 0.188 ( -0.000 -0.000 20.551) 20.551 0.326 ( -0.000 -0.000 35.943) 35.943 1.348 ( 0.000 0.000 -0.527) 0.527 1.348 ( 0.000 0.000 -0.527) 0.527 3.202 ( 0.000 0.000 -4.158) 4.158 5.318 ( -0.000 -0.000 1.611) 1.611 5.318 ( -0.000 -0.000 1.611) 1.611 6.588 ( 0.000 0.000 -1.097) 1.097 6.588 ( 0.000 0.000 -1.097) 1.097 8.203 ( -0.000 -0.000 0.384) 0.384 8.492 ( 0.000 0.000 -0.220) 0.220 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 11.245 6.492 3.585) 13.471 0.301 ( 8.013 4.626 8.794) 12.765 0.888 ( 22.372 12.917 19.574) 32.412 1.367 ( 2.189 1.264 -1.139) 2.772 1.508 ( 11.707 6.759 -1.594) 13.612 2.501 ( -13.608 -7.857 21.631) 26.736 5.338 ( 1.753 1.012 1.041) 2.276 6.152 ( 18.401 10.624 -27.944) 35.105 6.553 ( -0.975 -0.563 -4.921) 5.049 6.582 ( -0.826 -0.477 -0.263) 0.989 8.111 ( -9.911 -5.722 6.426) 13.125 8.366 ( -0.589 -0.340 1.727) 1.856 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 10.646 6.147 -2.943) 12.641 0.574 ( 13.194 7.617 -1.370) 15.296 1.267 ( 7.890 4.555 8.169) 12.237 1.447 ( 5.480 3.164 -1.463) 6.495 1.929 ( 23.714 13.692 5.226) 27.877 2.402 ( -1.273 -0.735 2.079) 2.546 5.402 ( 3.698 2.135 0.055) 4.270 6.262 ( -1.896 -1.095 -4.665) 5.153 6.551 ( -1.792 -1.035 0.486) 2.125 6.570 ( 5.467 3.157 -11.499) 13.118 7.877 ( -11.858 -6.846 6.830) 15.301 8.367 ( -0.276 -0.159 -2.498) 2.519 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 9.420 5.439 -6.489) 12.666 0.837 ( 9.835 5.678 -1.593) 11.467 1.381 ( 1.775 1.025 2.294) 3.076 1.617 ( 9.957 5.748 -1.557) 11.602 2.401 ( 1.731 1.000 -4.960) 5.348 2.511 ( 24.198 13.971 5.266) 28.433 5.504 ( 5.349 3.088 -1.389) 6.331 6.123 ( -7.723 -4.459 -6.121) 10.816 6.508 ( -2.159 -1.247 1.305) 2.814 6.699 ( 7.465 4.310 -6.896) 11.038 7.621 ( -12.468 -7.198 6.135) 15.649 8.330 ( -2.076 -1.199 -3.354) 4.123 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 8.191 4.729 -6.393) 11.416 1.006 ( 5.688 3.284 -1.293) 6.694 1.387 ( -0.658 -0.380 -2.609) 2.717 1.876 ( 12.636 7.295 -1.480) 14.665 2.420 ( 1.077 0.622 -3.312) 3.538 3.049 ( 21.601 12.472 2.024) 25.025 5.633 ( 6.521 3.765 -3.104) 8.145 5.910 ( -8.361 -4.827 -9.540) 13.572 6.465 ( -2.058 -1.188 2.410) 3.384 6.847 ( 6.705 3.871 -3.769) 8.611 7.348 ( -12.978 -7.493 4.927) 15.774 8.263 ( -2.735 -1.579 -3.305) 4.571 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 4.566 2.636 -3.281) 6.210 1.101 ( 3.232 1.866 -1.004) 3.864 1.379 ( 2.597 1.499 -6.072) 6.772 2.152 ( 11.462 6.617 -1.393) 13.308 2.417 ( -1.270 -0.733 -0.046) 1.467 3.491 ( 16.820 9.711 0.345) 19.425 5.713 ( -5.825 -3.363 -10.184) 12.205 5.775 ( 6.906 3.987 -4.758) 9.286 6.430 ( -1.911 -1.103 3.855) 4.442 6.958 ( 2.269 1.310 -5.544) 6.132 7.078 ( -10.143 -5.856 6.046) 13.180 8.197 ( -2.074 -1.197 -2.368) 3.368 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.580 -0.335 -1.825) 1.944 1.154 ( 1.792 1.035 -0.737) 2.197 1.500 ( 8.544 4.933 -5.172) 11.139 2.354 ( -4.435 -2.560 1.757) 5.414 2.369 ( 7.758 4.479 -1.288) 9.050 3.807 ( 10.760 6.212 0.066) 12.425 5.603 ( -1.287 -0.743 -6.905) 7.063 5.910 ( 6.252 3.610 -5.811) 9.267 6.399 ( -2.145 -1.238 5.236) 5.792 6.778 ( -9.997 -5.772 -1.587) 11.652 7.076 ( 2.335 1.348 0.734) 2.794 8.159 ( -0.855 -0.494 -0.626) 1.169 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.124 -0.071 -0.689) 0.704 1.180 ( 0.680 0.393 -0.485) 0.923 1.670 ( 6.130 3.539 -3.670) 7.973 2.246 ( -4.494 -2.595 1.157) 5.316 2.488 ( 2.901 1.675 -1.046) 3.510 3.975 ( 3.864 2.231 0.743) 4.523 5.610 ( 2.375 1.371 0.338) 2.763 6.016 ( 4.369 2.522 -5.299) 7.316 6.361 ( -2.612 -1.508 5.428) 6.210 6.600 ( -4.501 -2.598 -1.719) 5.474 7.111 ( 0.723 0.417 -0.819) 1.169 8.153 ( 0.115 0.067 1.465) 1.471 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.411 0.815 1.023) 1.924 1.183 ( -0.351 -0.202 -0.207) 0.455 1.698 ( -3.189 -1.841 -0.840) 3.777 2.215 ( 2.408 1.390 -1.892) 3.363 2.492 ( -2.278 -1.315 -0.571) 2.692 3.983 ( -3.535 -2.041 1.575) 4.375 5.692 ( 3.263 1.884 9.133) 9.879 6.064 ( 0.255 0.147 -1.427) 1.457 6.321 ( -1.551 -0.896 2.287) 2.905 6.584 ( 3.837 2.215 -3.537) 5.669 7.104 ( -0.987 -0.570 -1.621) 1.982 8.170 ( 0.755 0.436 3.243) 3.358 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.132 0.654 2.160) 2.525 1.163 ( -1.410 -0.814 0.178) 1.638 1.580 ( -5.950 -3.435 3.102) 7.538 2.304 ( 5.095 2.942 -3.401) 6.796 2.384 ( -7.147 -4.126 0.208) 8.255 3.822 ( -11.061 -6.386 1.687) 12.883 5.808 ( 3.790 2.188 14.984) 15.610 6.008 ( -5.230 -3.020 3.872) 7.174 6.318 ( 1.335 0.770 -2.614) 3.034 6.733 ( 9.777 5.645 -6.383) 12.969 7.059 ( -2.402 -1.387 -1.440) 3.125 8.207 ( 1.451 0.838 4.240) 4.559 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.721 -1.571 0.807) 3.244 1.133 ( -2.254 -1.301 3.456) 4.326 1.485 ( -3.395 -1.960 4.968) 6.328 2.178 ( -10.898 -6.292 1.317) 12.652 2.401 ( 3.866 2.232 -1.660) 4.762 3.494 ( -18.033 -10.411 0.627) 20.832 5.870 ( -7.685 -4.437 5.176) 10.273 5.954 ( 4.809 2.776 15.596) 16.555 6.354 ( 2.532 1.462 -4.032) 4.981 6.914 ( 3.409 1.968 -9.651) 10.423 7.035 ( 4.910 2.835 0.419) 5.685 8.261 ( 2.203 1.272 4.260) 4.962 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -4.827 -2.787 2.059) 5.942 1.054 ( -5.749 -3.319 6.593) 9.356 1.433 ( -2.946 -1.701 2.415) 4.172 1.914 ( -12.326 -7.117 2.523) 14.455 2.461 ( 1.239 0.715 0.928) 1.705 3.017 ( -23.527 -13.583 -1.311) 27.198 5.706 ( -7.860 -4.538 4.560) 10.157 6.105 ( 4.620 2.667 11.035) 12.257 6.405 ( 2.949 1.703 -3.947) 5.213 6.852 ( -3.678 -2.123 -3.449) 5.471 7.260 ( 12.162 7.022 -4.206) 14.660 8.327 ( 2.397 1.384 3.337) 4.336 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -8.351 -4.821 4.843) 10.791 0.917 ( -8.572 -4.949 9.946) 14.032 1.340 ( -5.891 -3.401 -1.529) 6.972 1.659 ( -10.330 -5.964 2.926) 12.281 2.421 ( -19.438 -11.223 -2.481) 22.582 2.473 ( -8.849 -5.109 1.012) 10.268 5.550 ( -6.738 -3.890 3.519) 8.539 6.219 ( 3.421 1.975 3.718) 5.425 6.463 ( 3.065 1.769 -3.491) 4.971 6.763 ( -3.493 -2.017 -0.422) 4.056 7.532 ( 12.578 7.262 -2.670) 14.767 8.381 ( 1.471 0.849 1.836) 2.501 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -12.085 -6.977 9.527) 16.897 0.721 ( -11.784 -6.803 12.337) 18.367 1.118 ( -14.237 -8.220 -5.093) 17.211 1.478 ( -6.215 -3.588 1.890) 7.422 1.858 ( -21.457 -12.388 -2.888) 24.944 2.395 ( -3.655 -2.110 2.431) 4.870 5.427 ( -4.875 -2.815 2.619) 6.209 6.288 ( 2.571 1.484 -2.687) 4.004 6.520 ( 2.726 1.574 -2.831) 4.234 6.689 ( -3.057 -1.765 -0.088) 3.531 7.808 ( 11.800 6.813 0.533) 13.636 8.396 ( -0.573 -0.331 0.356) 0.752 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -0.000 22.343 -2.984) 22.542 0.565 ( -0.000 13.520 15.256) 20.384 0.814 ( -0.000 18.375 25.112) 31.117 1.384 ( -0.000 3.796 0.031) 3.796 1.477 ( -0.000 11.904 -3.247) 12.339 2.573 ( 0.000 -18.309 19.342) 26.633 5.372 ( -0.000 3.418 3.247) 4.715 6.026 ( -0.000 22.978 -27.532) 35.860 6.543 ( 0.000 -2.610 -2.785) 3.817 6.594 ( -0.000 1.585 -2.509) 2.968 8.123 ( 0.000 -11.407 5.278) 12.569 8.375 ( 0.000 -1.486 1.571) 2.162 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -6.664 12.809 13.971) 20.092 0.656 ( 0.867 21.093 -3.598) 21.415 1.188 ( 10.066 7.264 11.350) 16.820 1.443 ( 1.429 6.990 -0.270) 7.139 1.757 ( 15.580 18.323 2.660) 24.198 2.449 ( -3.908 -3.744 5.738) 7.887 5.413 ( -0.248 5.047 2.398) 5.593 6.207 ( 6.547 5.003 -10.825) 13.604 6.489 ( -0.618 -2.283 -5.476) 5.965 6.595 ( -0.929 2.614 -4.163) 5.002 7.957 ( -6.106 -13.009 6.540) 15.789 8.370 ( -0.494 0.632 -1.989) 2.145 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 1.291 9.331 7.892) 12.289 0.861 ( 2.692 15.297 -4.276) 16.110 1.353 ( 3.659 1.458 3.564) 5.312 1.574 ( 4.426 10.113 -0.552) 11.053 2.286 ( 19.693 18.178 1.950) 26.871 2.407 ( 0.445 2.263 -0.481) 2.356 5.485 ( 1.794 5.926 0.989) 6.270 6.193 ( -5.792 -2.841 -4.416) 7.818 6.496 ( 3.010 -1.704 -1.943) 3.967 6.616 ( 3.013 4.735 -8.115) 9.867 7.725 ( -8.460 -12.247 6.198) 16.124 8.344 ( -1.799 -0.617 -3.202) 3.724 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 5.288 6.425 1.256) 8.416 1.013 ( 2.092 9.416 -2.813) 10.047 1.387 ( -0.215 -0.387 -1.107) 1.192 1.793 ( 8.172 12.331 -0.762) 14.813 2.395 ( 1.113 1.304 -4.308) 4.636 2.847 ( 19.853 17.306 2.535) 26.459 5.592 ( 3.344 6.586 -0.792) 7.429 6.004 ( -9.569 -2.968 -7.190) 12.331 6.492 ( -1.106 -0.720 1.128) 1.736 6.740 ( 7.793 3.350 -6.334) 10.586 7.470 ( -9.910 -11.283 5.211) 15.896 8.281 ( -2.711 -1.827 -3.478) 4.773 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 6.253 4.425 -0.769) 7.699 1.104 ( 1.074 5.065 -1.460) 5.380 1.362 ( -0.569 0.771 -4.881) 4.974 2.064 ( 9.098 11.850 -1.023) 14.975 2.414 ( 0.766 0.416 -1.099) 1.403 3.319 ( 16.732 13.661 0.618) 21.609 5.705 ( 2.157 4.067 -4.356) 6.338 5.811 ( -6.964 2.033 -6.661) 9.849 6.467 ( -1.895 -0.002 2.301) 2.981 6.873 ( 6.417 1.094 -5.391) 8.452 7.206 ( -10.339 -9.026 4.659) 14.494 8.206 ( -2.128 -2.404 -2.966) 4.371 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 1.769 1.039 -1.052) 2.305 1.143 ( 0.834 2.007 -0.658) 2.270 1.410 ( 5.253 4.979 -5.003) 8.799 2.289 ( 5.524 4.865 -0.502) 7.378 2.423 ( -0.823 4.202 0.463) 4.307 3.680 ( 12.357 8.790 0.244) 15.167 5.633 ( -4.234 1.100 -6.790) 8.078 5.872 ( 3.216 8.111 -3.998) 9.597 6.439 ( -2.415 -0.646 3.909) 4.640 6.859 ( -5.474 -5.870 -5.019) 9.467 7.062 ( -0.277 -0.174 3.367) 3.383 8.153 ( -0.420 -2.317 -1.462) 2.772 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.459 -0.614 -1.124) 1.360 1.180 ( 0.628 2.142 -0.491) 2.285 1.567 ( 7.712 3.994 -3.693) 9.437 2.284 ( -3.054 -4.151 1.536) 5.377 2.519 ( 0.488 10.466 -1.456) 10.578 3.909 ( 7.114 3.552 0.860) 7.998 5.613 ( 0.220 4.259 -1.396) 4.488 5.989 ( 3.011 7.431 -5.012) 9.455 6.386 ( -3.088 -3.663 5.203) 7.073 6.687 ( -6.662 -1.566 -2.303) 7.220 7.091 ( 1.376 0.232 -0.490) 1.479 8.139 ( 1.140 -1.766 0.810) 2.252 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.223 0.177 0.164) 1.246 1.197 ( -0.650 1.619 -0.327) 1.775 1.673 ( 3.001 -1.035 -3.073) 4.418 2.201 ( -1.591 -1.963 -0.112) 2.529 2.579 ( -3.922 7.960 -1.248) 8.961 3.994 ( 0.933 -1.082 1.684) 2.209 5.699 ( 2.768 5.169 6.241) 8.564 6.086 ( 1.093 7.476 -4.726) 8.912 6.308 ( -1.372 -5.962 5.296) 8.092 6.608 ( -2.986 3.546 -2.533) 5.283 7.096 ( 0.091 -1.082 -2.108) 2.371 8.157 ( 1.803 -1.060 2.970) 3.633 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.150 0.530 1.465) 2.655 1.188 ( -1.748 0.673 -0.006) 1.873 1.628 ( -3.191 -4.269 -0.062) 5.330 2.215 ( 4.133 -0.145 -2.699) 4.938 2.532 ( -8.714 5.091 -0.595) 10.110 3.926 ( -6.409 -4.560 1.967) 8.108 5.825 ( 3.077 4.120 12.865) 13.855 6.106 ( -5.434 3.613 0.466) 6.542 6.289 ( 2.487 -1.444 1.118) 3.085 6.645 ( 3.920 5.325 -5.522) 8.615 7.063 ( -1.053 -2.350 -2.610) 3.667 8.194 ( 2.023 -0.381 4.192) 4.670 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -1.754 -1.918 2.174) 3.388 1.160 ( -0.567 0.421 0.598) 0.925 1.535 ( -3.283 -2.735 2.990) 5.215 2.269 ( 0.867 -2.048 -1.885) 2.915 2.406 ( -7.637 3.180 -0.437) 8.284 3.696 ( -14.571 -6.834 1.311) 16.147 5.956 ( 1.551 2.280 13.580) 13.858 6.004 ( -6.502 0.011 5.579) 8.567 6.333 ( 1.328 2.829 -2.312) 3.888 6.800 ( 9.126 5.396 -9.197) 14.035 7.008 ( -0.814 -2.924 -1.175) 3.254 8.243 ( 2.409 0.201 4.212) 4.856 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.246 -5.503 3.460) 7.764 1.148 ( -2.427 0.381 1.747) 3.014 1.479 ( -2.805 -1.215 2.787) 4.137 2.102 ( -13.586 -2.468 1.378) 13.877 2.422 ( 3.480 0.517 -0.594) 3.568 3.308 ( -22.396 -8.018 -0.057) 23.788 5.828 ( -9.300 -3.011 4.218) 10.647 6.106 ( 3.481 3.137 12.077) 12.954 6.374 ( 1.446 2.714 -3.297) 4.509 6.869 ( -1.628 -0.636 -7.064) 7.277 7.091 ( 11.783 3.090 -2.322) 12.400 8.303 ( 2.764 0.490 3.154) 4.222 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -6.221 -9.388 6.136) 12.825 1.095 ( -5.289 0.951 2.581) 5.962 1.409 ( -4.884 -1.439 0.550) 5.122 1.839 ( -14.109 -2.517 2.258) 14.509 2.463 ( 0.806 -0.635 0.291) 1.067 2.791 ( -28.253 -7.843 -1.263) 29.349 5.654 ( -8.442 -3.289 3.283) 9.637 6.208 ( 2.390 1.971 5.194) 6.047 6.419 ( 2.386 1.842 -3.016) 4.264 6.796 ( -3.046 -1.297 -3.379) 4.730 7.350 ( 14.234 4.209 -1.837) 14.956 8.360 ( 2.416 0.286 1.443) 2.829 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -8.506 -12.278 9.101) 17.492 0.989 ( -9.606 0.118 1.615) 9.741 1.278 ( -9.390 -1.128 0.410) 9.466 1.606 ( -11.073 -1.864 1.665) 11.352 2.213 ( -29.773 -4.582 -1.119) 30.144 2.441 ( -2.687 -1.386 0.582) 3.079 5.504 ( -6.555 -2.604 2.250) 7.403 6.263 ( 1.884 1.065 -0.687) 2.271 6.473 ( 2.951 1.440 -2.386) 4.059 6.724 ( -3.176 -1.164 -2.906) 4.460 7.633 ( 14.378 3.357 1.315) 14.823 8.392 ( 0.998 -0.273 -0.294) 1.076 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.000 17.184 -2.829) 17.416 0.861 ( -0.000 8.765 8.500) 12.210 1.221 ( -0.000 9.858 13.420) 16.651 1.511 ( -0.000 8.788 1.496) 8.915 1.830 ( -0.000 25.242 0.987) 25.262 2.462 ( 0.000 -2.808 2.639) 3.853 5.488 ( -0.000 6.094 3.838) 7.202 6.171 ( -0.000 6.542 -8.616) 10.818 6.459 ( 0.000 -3.798 -3.597) 5.231 6.612 ( 0.000 2.530 -6.498) 6.973 7.878 ( 0.000 -15.991 5.743) 16.991 8.376 ( 0.000 0.640 -2.410) 2.494 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -5.666 9.892 7.864) 13.849 0.967 ( 0.742 12.014 -1.993) 12.200 1.342 ( 1.478 4.029 5.497) 6.974 1.633 ( 2.070 11.679 1.080) 11.910 2.223 ( 12.391 25.934 2.175) 28.825 2.433 ( -1.285 0.849 -1.768) 2.345 5.555 ( -0.712 7.502 3.045) 8.128 6.221 ( -0.280 1.018 -3.099) 3.274 6.415 ( 1.877 -1.801 -4.086) 4.844 6.612 ( 0.103 2.363 -8.173) 8.508 7.703 ( -3.516 -16.120 5.438) 17.372 8.359 ( -1.441 -0.136 -3.031) 3.359 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -2.862 8.823 6.843) 11.527 1.075 ( 0.630 8.451 -2.068) 8.723 1.385 ( -0.043 0.886 -0.377) 0.964 1.819 ( 4.705 13.997 0.393) 14.772 2.395 ( -0.690 2.022 -3.626) 4.209 2.740 ( 15.751 22.322 1.626) 27.368 5.639 ( 0.504 8.515 1.589) 8.677 6.116 ( -8.031 -1.549 -4.751) 9.459 6.472 ( 3.615 -0.095 -0.012) 3.616 6.638 ( 4.185 2.425 -8.754) 10.002 7.486 ( -5.508 -15.084 4.945) 16.803 8.303 ( -3.055 -1.316 -3.558) 4.871 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 0.545 7.592 4.289) 8.736 1.141 ( 0.042 4.421 -0.745) 4.483 1.370 ( -0.967 1.042 -4.683) 4.894 2.057 ( 6.606 13.491 -0.502) 15.030 2.410 ( 0.768 2.334 -0.174) 2.464 3.203 ( 14.643 17.608 -0.096) 22.901 5.735 ( 0.325 7.502 -1.609) 7.679 5.949 ( -8.400 2.112 -4.621) 9.817 6.498 ( -0.363 0.877 0.126) 0.958 6.742 ( 7.484 0.602 -5.913) 9.557 7.258 ( -6.399 -12.574 4.268) 14.740 8.216 ( -3.397 -2.447 -3.958) 5.762 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.895 4.313 2.262) 4.952 1.156 ( -0.335 1.391 -0.265) 1.455 1.386 ( 1.945 4.792 -4.434) 6.813 2.255 ( 4.221 4.832 -0.358) 6.426 2.482 ( 1.735 9.102 1.747) 9.429 3.571 ( 11.717 11.368 -0.396) 16.330 5.720 ( -5.403 3.519 -6.268) 8.993 5.929 ( -0.512 8.888 -0.713) 8.932 6.491 ( -2.025 1.334 0.982) 2.616 6.809 ( 2.350 -4.185 -4.864) 6.833 7.089 ( -2.811 -4.992 3.869) 6.913 8.130 ( -1.606 -3.291 -3.617) 5.147 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -1.315 -0.871 -0.724) 1.736 1.199 ( 0.661 3.949 0.512) 4.036 1.492 ( 4.957 4.771 -1.996) 7.164 2.285 ( -0.813 -2.987 1.931) 3.649 2.638 ( 0.673 14.980 -0.647) 15.009 3.819 ( 8.116 4.695 0.446) 9.387 5.679 ( -2.572 6.343 -2.841) 7.411 6.016 ( 1.249 6.887 -1.778) 7.222 6.450 ( -4.700 0.356 2.747) 5.456 6.732 ( -2.353 -3.964 -2.813) 5.400 7.079 ( 0.774 0.561 0.714) 1.193 8.086 ( 1.475 -3.458 -1.756) 4.150 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.423 -0.453 -0.429) 0.754 1.235 ( -0.852 3.429 0.185) 3.539 1.597 ( 3.968 0.682 -2.039) 4.513 2.218 ( -2.868 -3.226 1.257) 4.496 2.756 ( -3.897 14.138 -1.481) 14.740 3.945 ( 4.143 -0.816 1.525) 4.489 5.740 ( 1.149 7.545 2.625) 8.070 6.095 ( 3.193 3.519 -1.684) 5.042 6.365 ( -6.638 1.121 3.228) 7.466 6.676 ( -1.981 1.038 -1.591) 2.745 7.082 ( -0.533 -0.303 -2.318) 2.398 8.099 ( 3.524 -2.714 1.044) 4.569 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.228 0.179 0.506) 2.291 1.238 ( -2.295 2.365 0.280) 3.307 1.610 ( 0.004 -3.378 -1.791) 3.824 2.167 ( 0.031 -1.264 -0.654) 1.423 2.763 ( -9.255 10.653 -1.118) 14.156 3.954 ( -0.995 -3.904 1.907) 4.458 5.854 ( 2.551 5.015 7.705) 9.541 6.205 ( 6.229 2.461 0.902) 6.758 6.273 ( -7.797 3.641 1.372) 8.714 6.663 ( -1.403 3.401 -2.447) 4.418 7.044 ( -1.060 -2.361 -3.907) 4.687 8.148 ( 3.677 -1.646 2.928) 4.980 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.980 -0.199 1.251) 2.351 1.202 ( -3.558 0.429 0.496) 3.618 1.553 ( -1.589 -3.027 0.202) 3.424 2.190 ( 3.665 -0.680 -1.787) 4.134 2.646 ( -13.369 5.837 -0.200) 14.589 3.841 ( -8.123 -4.749 1.328) 9.503 5.971 ( 3.812 2.497 9.888) 10.887 6.152 ( -8.631 -0.285 3.129) 9.185 6.346 ( 2.684 6.511 0.556) 7.065 6.699 ( 3.923 3.780 -6.067) 8.154 6.985 ( -0.966 -3.486 -3.274) 4.879 8.204 ( 3.258 -0.864 3.097) 4.577 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -4.618 -3.203 2.597) 6.190 1.172 ( -0.244 0.365 0.312) 0.539 1.511 ( -1.516 -1.190 0.960) 2.153 2.235 ( 0.390 -0.537 -1.091) 1.277 2.455 ( -10.790 1.552 0.693) 10.923 3.588 ( -16.649 -4.290 0.302) 17.196 5.986 ( -10.366 -1.388 2.644) 10.788 6.090 ( 4.594 0.718 7.302) 8.657 6.407 ( -1.561 4.606 0.960) 4.957 6.827 ( 6.270 3.340 -9.893) 12.179 6.949 ( 3.411 -2.236 1.065) 4.215 8.260 ( 3.195 -0.531 1.913) 3.761 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -7.012 -4.692 3.662) 9.197 1.160 ( -1.859 -0.006 0.598) 1.953 1.467 ( -2.911 -0.817 -0.263) 3.035 2.080 ( -14.724 -0.799 0.597) 14.758 2.420 ( 2.734 -0.262 -0.153) 2.751 3.198 ( -24.653 -2.750 -0.319) 24.808 5.795 ( -10.292 -2.187 1.673) 10.654 6.173 ( 3.749 -1.219 0.838) 4.031 6.422 ( -0.613 2.526 1.347) 2.928 6.824 ( -2.321 0.395 -5.330) 5.827 7.135 ( 13.958 2.116 0.512) 14.127 8.312 ( 3.177 -0.621 0.116) 3.239 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -9.355 -3.845 4.179) 10.943 1.100 ( -5.142 -1.320 -0.641) 5.347 1.393 ( -4.809 -0.086 -0.359) 4.823 1.814 ( -14.591 -1.228 0.138) 14.643 2.447 ( 0.356 -0.472 -1.659) 1.761 2.718 ( -29.546 0.889 0.671) 29.567 5.617 ( -8.579 -1.596 0.718) 8.756 6.206 ( 3.522 -2.909 -3.824) 5.957 6.453 ( 1.202 1.758 1.540) 2.628 6.766 ( -3.557 0.815 -4.351) 5.679 7.409 ( 15.016 1.334 2.811) 15.335 8.352 ( 2.567 -0.924 -1.533) 3.129 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.000 4.242 2.829) 5.099 1.048 ( -0.000 10.287 -0.658) 10.308 1.398 ( -0.000 3.763 4.752) 6.062 1.733 ( -0.000 12.033 1.636) 12.144 2.405 ( -0.000 25.096 1.506) 25.141 2.446 ( -0.000 5.864 -2.854) 6.522 5.647 ( -0.000 7.664 2.609) 8.096 6.241 ( -0.000 4.107 -0.823) 4.189 6.365 ( 0.000 -3.338 -2.683) 4.283 6.597 ( 0.000 0.972 -10.625) 10.669 7.579 ( 0.000 -17.436 5.061) 18.156 8.364 ( 0.000 -0.106 -2.970) 2.972 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -1.795 4.651 2.718) 5.678 1.136 ( 0.209 6.525 -0.198) 6.531 1.417 ( -1.739 1.979 -0.145) 2.638 1.886 ( 3.198 12.684 0.667) 13.098 2.418 ( -0.770 0.518 -3.195) 3.327 2.788 ( 7.564 27.974 1.207) 29.003 5.727 ( -0.037 7.992 1.142) 8.073 6.217 ( -5.807 0.576 -2.027) 6.178 6.393 ( 5.203 0.992 -0.023) 5.297 6.579 ( 1.468 0.281 -10.904) 11.006 7.404 ( -2.154 -16.993 4.844) 17.800 8.332 ( -2.337 -0.529 -3.159) 3.965 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.606 5.500 3.104) 6.344 1.179 ( -0.626 2.634 0.643) 2.783 1.393 ( -1.738 1.992 -4.820) 5.497 2.082 ( 5.009 11.426 -0.638) 12.492 2.425 ( 1.174 2.419 0.847) 2.819 3.187 ( 9.390 22.101 -0.385) 24.016 5.809 ( 0.084 7.600 -1.263) 7.705 6.100 ( -7.625 2.697 -2.441) 8.448 6.483 ( 3.064 0.944 -2.174) 3.873 6.613 ( 5.728 0.520 -5.726) 8.116 7.210 ( -3.161 -15.191 4.139) 16.059 8.254 ( -4.468 -1.268 -3.863) 6.041 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -1.079 4.036 3.394) 5.383 1.170 ( -0.069 0.465 -0.066) 0.474 1.398 ( 0.680 4.601 -4.413) 6.411 2.233 ( 3.202 3.660 -0.184) 4.866 2.540 ( 4.486 10.137 3.222) 11.544 3.520 ( 8.350 14.596 -1.123) 16.853 5.833 ( -4.012 5.640 -5.743) 8.994 6.045 ( -3.624 6.884 1.357) 7.897 6.510 ( 1.312 0.647 -5.413) 5.607 6.713 ( 4.599 -0.538 0.691) 4.681 7.051 ( -0.638 -10.082 2.865) 10.501 8.142 ( -4.762 -2.248 -4.816) 7.136 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -2.298 -1.779 -0.503) 2.949 1.236 ( 0.900 5.101 1.842) 5.497 1.470 ( 2.794 4.546 -1.089) 5.446 2.271 ( 0.365 -1.706 2.354) 2.930 2.758 ( 4.101 15.605 1.195) 16.179 3.744 ( 6.239 6.253 -0.688) 8.860 5.799 ( -4.288 7.421 -4.475) 9.669 6.071 ( -1.607 4.003 1.622) 4.608 6.515 ( 0.134 0.748 -4.806) 4.866 6.719 ( -1.896 -1.670 3.688) 4.471 7.045 ( 4.263 -1.491 0.969) 4.619 8.037 ( -1.896 -3.355 -4.784) 6.143 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.692 -1.116 -0.586) 1.438 1.292 ( -0.642 4.718 1.056) 4.877 1.549 ( 2.573 1.363 -0.169) 2.917 2.238 ( -2.150 -2.769 2.286) 4.185 2.956 ( -0.847 17.121 -0.444) 17.148 3.857 ( 4.658 -1.296 0.509) 4.861 5.823 ( -1.250 8.072 -1.135) 8.247 6.076 ( 0.229 -0.049 2.754) 2.764 6.491 ( -2.861 1.436 -3.501) 4.745 6.703 ( -1.359 2.629 3.732) 4.763 7.090 ( 0.196 0.699 -1.758) 1.902 8.001 ( 3.209 -3.666 -2.387) 5.425 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 1.375 -0.279 -0.105) 1.407 1.312 ( -2.416 3.881 0.883) 4.656 1.570 ( 0.625 -2.309 -0.945) 2.572 2.176 ( -2.365 -1.730 0.921) 3.072 3.036 ( -8.223 14.449 -1.017) 16.656 3.895 ( 3.323 -4.967 1.412) 6.140 5.880 ( 0.892 3.119 1.853) 3.736 6.139 ( 4.538 3.107 5.364) 7.683 6.427 ( -5.004 1.529 -3.909) 6.531 6.732 ( -1.991 5.536 3.584) 6.889 7.045 ( -3.164 -1.511 -5.071) 6.165 8.050 ( 5.797 -2.589 0.442) 6.364 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.621 -0.053 0.230) 2.632 1.284 ( -4.492 1.707 0.870) 4.884 1.538 ( -0.329 -2.666 -0.780) 2.797 2.147 ( 0.320 -0.580 0.112) 0.672 2.951 ( -14.141 8.042 -0.453) 16.275 3.878 ( -0.865 -4.177 1.038) 4.390 5.936 ( 3.470 -0.240 3.985) 5.290 6.278 ( -1.261 2.736 8.871) 9.368 6.349 ( 1.015 3.178 -7.115) 7.859 6.744 ( -4.498 5.752 1.478) 7.450 6.955 ( -1.385 -3.702 -5.110) 6.460 8.128 ( 5.094 -1.531 1.053) 5.422 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 0.896 -0.754 0.619) 1.324 1.208 ( -4.645 -0.185 0.659) 4.695 1.515 ( -0.355 -0.948 -0.371) 1.078 2.178 ( 3.353 0.085 0.287) 3.366 2.732 ( -16.749 2.304 0.469) 16.913 3.773 ( -8.432 -2.174 0.094) 8.708 6.014 ( 4.961 -1.481 2.717) 5.846 6.153 ( -9.591 -1.168 -0.641) 9.683 6.478 ( 1.928 4.044 3.690) 5.804 6.730 ( 1.897 2.434 -5.105) 5.965 6.915 ( 0.026 -1.034 -0.362) 1.096 8.194 ( 3.961 -1.121 -0.115) 4.118 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -6.103 -1.450 1.568) 6.466 1.175 ( -0.284 -0.170 -0.090) 0.343 1.491 ( -1.421 -0.704 -1.669) 2.303 2.233 ( -0.141 0.527 0.075) 0.551 2.472 ( -12.329 -0.376 1.172) 12.390 3.543 ( -17.086 -0.053 -0.418) 17.091 5.960 ( -10.644 -1.728 -1.417) 10.876 6.071 ( 4.289 -3.627 -2.924) 6.333 6.477 ( -2.693 -0.198 3.604) 4.503 6.836 ( 3.252 3.905 -6.990) 8.642 6.952 ( 7.206 0.229 4.983) 8.764 8.243 ( 3.536 -1.142 -1.793) 4.126 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -7.881 0.609 0.717) 7.937 1.151 ( -2.460 -1.004 -0.448) 2.695 1.442 ( -2.373 -0.721 -2.900) 3.816 2.068 ( -15.421 -0.307 -0.657) 15.438 2.418 ( 1.735 0.275 -0.457) 1.815 3.202 ( -23.974 3.162 0.168) 24.182 5.764 ( -9.906 -0.906 -1.653) 10.084 6.075 ( 4.057 -5.717 -8.041) 10.668 6.458 ( 0.041 -0.926 3.563) 3.681 6.838 ( -3.490 3.792 -3.458) 6.206 7.174 ( 14.245 -0.138 4.381) 14.904 8.282 ( 3.355 -1.310 -2.994) 4.683 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 2.239 0.108) 2.242 1.194 ( -0.000 4.553 0.936) 4.648 1.449 ( -0.000 1.243 -2.641) 2.919 1.975 ( -0.000 11.672 -0.072) 11.672 2.404 ( 0.000 -1.670 -3.374) 3.765 3.019 ( -0.000 28.840 1.460) 28.877 5.793 ( -0.000 5.993 -1.554) 6.192 6.320 ( -0.000 3.643 -2.176) 4.244 6.321 ( -0.000 0.148 1.126) 1.136 6.529 ( 0.000 -0.376 -10.237) 10.244 7.269 ( 0.000 -16.761 5.012) 17.494 8.343 ( 0.000 -0.031 -2.738) 2.738 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.980 2.281 -0.062) 2.483 1.219 ( -1.022 1.221 1.468) 2.166 1.429 ( -1.732 1.755 -5.856) 6.354 2.113 ( 2.985 9.905 -0.909) 10.385 2.397 ( 2.794 -1.292 -0.425) 3.107 3.319 ( 2.930 24.752 0.497) 24.930 5.850 ( 1.561 4.716 -3.579) 6.123 6.241 ( -5.990 3.066 -2.945) 7.345 6.410 ( 4.082 0.108 -5.100) 6.534 6.538 ( 2.885 2.060 -1.423) 3.820 7.112 ( -1.487 -15.131 4.547) 15.869 8.308 ( -3.305 -0.011 -2.926) 4.414 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 1.439 0.709 -0.284) 1.629 1.194 ( -1.335 0.383 1.445) 2.004 1.422 ( -0.003 3.893 -4.745) 6.138 2.221 ( 1.862 2.944 0.243) 3.492 2.514 ( 8.585 5.467 1.702) 10.319 3.584 ( 2.887 18.075 -0.464) 18.310 5.906 ( 0.292 5.007 -5.825) 7.686 6.183 ( -4.412 5.252 -0.589) 6.884 6.429 ( 2.832 -2.770 -8.103) 9.019 6.647 ( 5.534 3.140 3.769) 7.395 6.964 ( -1.189 -11.411 3.352) 11.953 8.213 ( -6.184 -0.386 -3.945) 7.345 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -2.256 -2.666 -0.932) 3.614 1.262 ( 2.499 4.055 1.532) 5.003 1.471 ( 1.744 3.826 -1.147) 4.358 2.254 ( 0.893 -1.108 2.606) 2.969 2.770 ( 10.669 10.472 1.096) 14.989 3.756 ( 1.050 9.924 -0.825) 10.014 5.917 ( -2.687 6.571 -6.915) 9.910 6.167 ( -4.433 3.467 3.666) 6.716 6.427 ( 4.101 -3.889 -7.755) 9.596 6.775 ( 1.534 3.549 7.034) 8.026 6.909 ( 5.848 -5.249 0.064) 7.859 8.077 ( -6.876 -1.120 -5.115) 8.642 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -1.382 -1.641 -0.734) 2.268 1.340 ( 1.188 4.333 0.936) 4.589 1.528 ( 1.569 1.176 0.718) 2.088 2.248 ( -0.790 -2.038 2.660) 3.443 3.062 ( 8.314 13.982 0.664) 16.280 3.807 ( -0.689 0.762 -0.664) 1.224 5.918 ( -2.547 5.874 -5.250) 8.280 6.124 ( -3.586 1.381 6.370) 7.439 6.437 ( 3.430 -3.740 -7.252) 8.851 6.813 ( -2.422 5.123 7.181) 9.148 7.030 ( 7.688 -0.215 -0.948) 7.749 7.951 ( -3.242 -2.095 -4.778) 6.142 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 0.196 -0.611 -0.307) 0.711 1.389 ( -0.936 4.462 0.799) 4.629 1.539 ( 0.198 -2.301 0.264) 2.324 2.207 ( -2.357 -1.594 1.431) 3.185 3.287 ( -1.486 16.229 -0.010) 16.297 3.772 ( 2.301 -7.501 0.158) 7.847 5.900 ( -1.533 0.567 -1.535) 2.242 6.157 ( 0.849 5.683 6.761) 8.874 6.418 ( 1.351 -4.026 -6.480) 7.748 6.853 ( -1.884 6.058 6.282) 8.928 7.079 ( -1.901 0.043 -3.680) 4.143 7.927 ( 4.182 -2.091 -2.039) 5.101 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 1.812 -0.114 -0.146) 1.822 1.385 ( -4.336 2.394 0.848) 5.025 1.512 ( 0.363 -2.370 -0.282) 2.414 2.159 ( -1.890 -0.665 0.855) 2.178 3.271 ( -13.875 8.200 -0.207) 16.118 3.790 ( 6.233 -4.880 0.427) 7.928 5.894 ( 1.266 -0.779 1.842) 2.366 6.267 ( 4.516 2.047 -1.222) 5.106 6.374 ( -1.853 0.000 0.916) 2.067 6.899 ( -0.586 3.833 4.127) 5.663 6.962 ( -8.417 -0.961 -4.600) 9.640 8.011 ( 6.763 -1.109 -0.740) 6.893 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 2.490 -0.203 -0.394) 2.530 1.302 ( -5.839 -0.522 0.553) 5.888 1.511 ( 0.169 0.322 0.116) 0.382 2.147 ( 0.714 0.157 1.428) 1.604 3.038 ( -16.916 0.129 0.334) 16.920 3.829 ( 0.117 -0.420 -0.287) 0.522 5.933 ( 3.126 -1.400 1.926) 3.930 6.234 ( -2.561 -4.256 -9.456) 10.681 6.450 ( 3.519 3.728 8.960) 10.323 6.779 ( -5.990 -3.836 -6.862) 9.883 6.940 ( -1.736 4.666 5.005) 7.059 8.103 ( 5.207 -0.674 -1.828) 5.560 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.500 -0.373 -0.553) 0.833 1.205 ( -4.521 -0.401 0.305) 4.549 1.507 ( -1.403 0.593 -1.153) 1.910 2.197 ( 3.484 1.011 2.259) 4.273 2.732 ( -16.957 -2.567 0.495) 17.157 3.766 ( -8.272 1.624 -0.684) 8.458 5.952 ( 2.247 -4.776 -4.654) 7.038 6.100 ( -6.941 -1.208 -4.164) 8.184 6.497 ( -0.840 -5.065 4.129) 6.588 6.740 ( 5.814 2.429 -3.100) 7.022 6.963 ( -1.731 3.120 4.262) 5.559 8.163 ( 3.732 -0.669 -3.357) 5.064 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -5.334 1.546 -0.595) 5.585 1.164 ( -0.639 -0.673 -0.495) 1.052 1.465 ( -2.751 -0.087 -3.805) 4.696 2.253 ( -2.526 1.220 0.649) 2.880 2.457 ( -9.780 -1.719 0.855) 9.966 3.580 ( -16.103 3.906 -0.511) 16.578 5.877 ( -2.709 -4.273 -9.696) 10.936 5.967 ( -4.443 -3.015 -3.694) 6.517 6.446 ( 0.051 -3.947 3.413) 5.218 6.896 ( 5.340 4.218 -4.104) 7.946 6.987 ( 3.813 -0.664 7.173) 8.150 8.203 ( 3.254 -0.786 -4.016) 5.228 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 1.349 -0.838) 1.588 1.232 ( 0.000 -1.420 0.742) 1.602 1.439 ( 0.000 1.596 -7.296) 7.468 2.181 ( -0.000 9.473 -1.238) 9.553 2.333 ( 0.000 -4.294 0.005) 4.294 3.538 ( -0.000 22.810 0.467) 22.815 5.846 ( 0.000 1.870 -5.183) 5.510 6.272 ( 0.000 -2.126 -16.215) 16.354 6.394 ( -0.000 4.790 4.444) 6.534 6.550 ( -0.000 4.320 3.234) 5.397 6.994 ( 0.000 -13.776 4.262) 14.420 8.334 ( 0.000 0.677 -2.238) 2.338 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 1.450 0.682 -0.739) 1.764 1.200 ( -0.496 -2.646 -0.590) 2.756 1.438 ( 0.254 2.725 -5.423) 6.075 2.233 ( -0.731 1.387 0.799) 1.759 2.393 ( 9.002 2.236 -0.078) 9.276 3.744 ( 0.048 17.909 -0.082) 17.910 5.883 ( 3.875 2.211 -5.275) 6.909 6.207 ( 1.172 -1.512 -14.292) 14.420 6.423 ( -3.470 2.982 3.778) 5.933 6.626 ( 2.158 4.175 3.068) 5.612 6.882 ( 0.066 -10.278 3.944) 11.009 8.299 ( -4.219 0.807 -2.479) 4.959 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -1.558 -2.813 -1.305) 3.470 1.236 ( 4.006 1.844 0.290) 4.419 1.473 ( 1.559 2.889 -1.744) 3.717 2.234 ( 0.752 -1.692 2.611) 3.201 2.627 ( 13.637 5.084 -0.504) 14.563 3.877 ( -1.824 11.678 -0.366) 11.825 5.960 ( 2.034 4.905 -7.121) 8.883 6.221 ( 5.227 -0.106 -8.255) 9.771 6.357 ( -5.602 -2.006 5.005) 7.775 6.710 ( 4.998 0.639 -1.311) 5.207 6.844 ( 1.212 -2.469 5.771) 6.393 8.194 ( -7.736 0.674 -3.296) 8.436 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -1.458 -1.623 -0.805) 2.325 1.329 ( 3.998 2.315 0.133) 4.622 1.520 ( 1.219 1.227 0.634) 1.842 2.237 ( 0.595 -1.898 2.197) 2.963 2.939 ( 16.197 6.144 0.001) 17.323 3.898 ( -5.370 4.956 -0.527) 7.326 5.990 ( -1.890 5.039 -7.241) 9.022 6.239 ( -4.619 1.623 5.593) 7.433 6.309 ( 4.358 -4.171 -3.999) 7.238 6.838 ( 11.292 -0.982 -2.000) 11.510 6.883 ( 0.750 1.836 5.628) 5.967 8.043 ( -8.828 0.515 -3.439) 9.488 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.723 -0.436 -0.245) 0.879 1.412 ( 2.843 2.442 -0.185) 3.752 1.527 ( -0.819 -1.390 0.789) 1.796 2.224 ( -0.845 -1.462 0.749) 1.847 3.279 ( 15.695 6.485 0.345) 16.986 3.788 ( -9.308 -1.250 -0.495) 9.405 5.949 ( -3.973 1.411 -2.673) 4.992 6.238 ( -1.984 3.125 5.458) 6.594 6.315 ( 3.626 -2.655 -4.395) 6.286 6.916 ( -0.073 0.648 3.014) 3.084 7.022 ( 8.860 0.354 -1.330) 8.967 7.914 ( -4.861 0.687 -1.682) 5.189 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.406 0.165 0.001) 0.438 1.471 ( -3.528 -1.572 0.030) 3.862 1.474 ( 2.187 0.928 -0.031) 2.376 2.189 ( -1.873 -0.744 0.002) 2.016 3.567 ( -12.682 -4.615 0.025) 13.496 3.580 ( 12.467 4.553 -0.023) 13.272 5.904 ( -1.889 1.059 1.343) 2.548 6.198 ( -0.005 -5.490 -5.430) 7.721 6.401 ( 2.773 5.549 5.416) 8.234 6.893 ( -1.358 -4.132 -2.488) 5.011 7.092 ( -1.663 2.169 1.175) 2.975 7.911 ( 3.234 1.267 -0.017) 3.473 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 1.528 0.177 -0.234) 1.556 1.375 ( -4.177 -3.134 -0.246) 5.228 1.520 ( 0.710 2.653 0.549) 2.801 2.157 ( -1.105 -0.031 0.641) 1.278 3.278 ( -13.803 -7.771 0.430) 15.846 3.781 ( 6.027 4.157 -0.530) 7.341 5.909 ( -0.194 0.525 3.473) 3.518 6.131 ( 2.359 -6.183 -9.793) 11.819 6.503 ( -0.035 4.018 8.991) 9.848 6.771 ( -3.257 -7.106 -7.828) 11.062 7.068 ( -4.249 3.182 4.860) 7.197 8.005 ( 5.355 1.286 -1.306) 5.660 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 2.007 -0.116 -0.875) 2.193 1.276 ( -4.245 -1.968 -0.021) 4.679 1.548 ( -1.149 3.009 0.287) 3.234 2.167 ( 1.703 0.573 2.176) 2.822 2.958 ( -14.512 -7.765 0.279) 16.461 3.861 ( -0.787 3.489 -0.735) 3.652 5.884 ( -1.118 -4.593 -2.242) 5.232 6.119 ( 1.982 -0.181 -6.987) 7.264 6.473 ( -3.646 -7.724 5.681) 10.258 6.694 ( 1.305 0.696 -3.295) 3.612 7.049 ( -2.853 2.397 4.410) 5.773 8.088 ( 3.814 0.931 -3.135) 5.024 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.178 -0.135 -1.520) 1.928 1.196 ( -3.546 -0.500 -0.150) 3.584 1.530 ( -4.212 2.967 -2.019) 5.533 2.237 ( 4.043 1.127 3.024) 5.173 2.646 ( -13.791 -5.777 -0.217) 14.954 3.821 ( -7.903 4.153 -0.669) 8.953 5.791 ( -0.712 -6.099 -8.933) 10.839 6.072 ( -6.767 0.226 -4.252) 7.995 6.389 ( 1.961 -6.368 3.644) 7.594 6.760 ( 6.447 -0.830 0.442) 6.515 7.041 ( -2.263 2.304 2.975) 4.391 8.139 ( 2.668 0.554 -3.700) 4.595 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 0.847 -0.695) 1.095 1.161 ( 0.000 -4.302 -2.180) 4.823 1.442 ( -0.000 2.165 -4.432) 4.932 2.246 ( 0.000 -4.908 2.296) 5.419 2.330 ( -0.000 6.312 -1.018) 6.394 3.906 ( -0.000 14.296 -0.468) 14.304 5.836 ( 0.000 0.589 -3.991) 4.035 6.130 ( 0.000 -1.573 -14.157) 14.244 6.519 ( -0.000 4.675 3.163) 5.645 6.662 ( -0.000 4.203 1.092) 4.343 6.788 ( 0.000 -9.467 5.316) 10.857 8.341 ( -0.000 1.135 -1.813) 2.139 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.843 -2.562 -1.539) 3.106 1.176 ( 3.716 0.432 -0.472) 3.770 1.464 ( 1.391 1.969 -1.669) 2.932 2.209 ( 0.342 -3.174 2.345) 3.962 2.462 ( 9.084 3.671 -0.610) 9.817 4.011 ( -1.343 9.282 -0.693) 9.404 5.897 ( 6.606 2.159 -3.126) 7.621 6.100 ( 2.168 -0.511 -10.042) 10.286 6.485 ( -7.237 -0.322 3.150) 7.900 6.679 ( 0.239 1.566 -5.229) 5.464 6.793 ( 3.919 -2.412 8.886) 10.007 8.306 ( -4.706 1.088 -1.946) 5.207 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -1.009 -0.863 -0.623) 1.466 1.261 ( 5.242 0.668 -0.317) 5.294 1.508 ( 1.701 1.003 0.552) 2.050 2.206 ( 1.300 -2.039 1.318) 2.755 2.699 ( 15.185 2.297 0.007) 15.358 4.030 ( -4.108 4.053 -0.745) 5.819 6.028 ( 2.675 6.433 -6.002) 9.196 6.150 ( 7.560 -2.197 -2.993) 8.422 6.350 ( -6.351 -2.625 4.113) 8.009 6.701 ( 3.139 1.217 -3.367) 4.762 6.865 ( 3.222 -0.990 5.123) 6.133 8.198 ( -8.245 1.159 -1.739) 8.505 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.159 0.438 0.063) 1.241 1.351 ( 4.858 -0.045 -0.668) 4.904 1.530 ( 0.081 -0.463 0.676) 0.823 2.210 ( 0.744 -1.233 -0.483) 1.519 3.004 ( 18.148 0.104 0.386) 18.153 3.944 ( -7.808 0.164 -0.652) 7.837 6.045 ( -4.783 4.505 -3.805) 7.592 6.208 ( 2.135 -3.974 -2.726) 5.271 6.311 ( 1.092 1.954 5.747) 6.167 6.827 ( 11.204 0.754 -1.708) 11.359 6.900 ( 1.369 -2.416 1.513) 3.163 8.056 ( -8.981 1.721 0.035) 9.145 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -0.874 0.999 0.419) 1.392 1.408 ( 2.964 -2.819 -0.551) 4.128 1.514 ( -0.998 0.421 -0.499) 1.192 2.200 ( -0.496 -0.504 -1.704) 1.845 3.273 ( 15.200 -7.032 -0.299) 16.750 3.794 ( -8.914 1.895 0.178) 9.115 5.985 ( -4.613 3.398 -0.526) 5.754 6.141 ( -2.062 -7.016 -1.598) 7.485 6.419 ( 3.932 5.889 4.643) 8.467 6.859 ( -1.280 -5.844 -2.180) 6.367 7.024 ( 9.543 0.268 -1.411) 9.651 7.957 ( -4.962 2.908 2.692) 6.350 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -0.165 0.957 0.412) 1.055 1.377 ( -1.080 -4.958 -0.444) 5.094 1.531 ( 1.238 2.249 -0.599) 2.636 2.178 ( -1.176 0.301 -1.538) 1.959 3.284 ( -0.378 -15.875 -0.287) 15.882 3.773 ( 1.072 7.148 0.284) 7.233 5.969 ( -2.862 3.008 4.788) 6.338 6.023 ( -0.681 -7.024 -5.756) 9.107 6.553 ( 2.446 4.843 6.423) 8.408 6.728 ( -3.599 -8.564 -6.013) 11.066 7.115 ( 1.822 -0.564 -0.171) 1.915 7.969 ( 1.144 3.489 2.416) 4.395 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 0.650 0.603 0.021) 0.887 1.302 ( -2.181 -3.711 -0.182) 4.308 1.581 ( 1.489 2.818 0.208) 3.194 2.165 ( -0.384 0.791 -0.216) 0.905 3.049 ( -8.052 -13.978 0.262) 16.133 3.878 ( 2.753 4.571 -0.340) 5.347 5.873 ( -3.585 -6.952 0.314) 7.828 6.053 ( 3.789 3.939 -2.284) 5.923 6.495 ( -6.816 -9.943 2.037) 12.226 6.673 ( 1.710 1.978 -1.752) 3.148 7.107 ( -1.252 -0.527 1.271) 1.860 8.044 ( 2.696 2.845 -0.153) 3.923 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.123 0.152 -0.732) 1.349 1.235 ( -2.311 -2.057 -0.101) 3.096 1.622 ( -1.363 4.263 -0.487) 4.502 2.190 ( 2.504 0.422 1.662) 3.035 2.772 ( -9.838 -10.253 -0.204) 14.211 3.933 ( -1.122 3.591 -0.294) 3.774 5.748 ( -3.009 -5.757 -3.464) 7.362 6.145 ( -0.204 4.541 -3.661) 5.836 6.304 ( -1.542 -9.655 3.158) 10.275 6.691 ( 0.725 -1.760 0.304) 1.928 7.092 ( -0.949 0.812 1.212) 1.740 8.104 ( 1.895 1.945 -1.548) 3.126 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.000 -1.349 -1.097) 1.738 1.144 ( -0.000 0.445 0.023) 0.446 1.465 ( -0.000 1.526 0.019) 1.527 2.179 ( 0.000 -2.903 1.713) 3.371 2.414 ( -0.000 2.454 0.105) 2.456 4.091 ( -0.000 4.960 -1.021) 5.064 5.837 ( -0.000 1.035 -0.555) 1.175 6.072 ( 0.000 2.541 -6.991) 7.439 6.590 ( -0.000 1.154 -0.070) 1.156 6.621 ( 0.000 -2.643 -8.713) 9.105 6.778 ( -0.000 -0.339 11.580) 11.585 8.351 ( -0.000 0.842 -1.674) 1.873 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.486 0.871 0.074) 1.001 1.183 ( 3.796 0.192 0.097) 3.802 1.493 ( 1.226 0.861 1.850) 2.380 2.171 ( 0.925 -1.180 0.554) 1.598 2.505 ( 8.758 0.425 0.768) 8.802 4.098 ( -1.784 0.197 -1.114) 2.113 5.929 ( 8.694 1.565 0.645) 8.857 6.098 ( 0.529 4.687 -2.697) 5.434 6.450 ( -7.967 -2.218 -3.057) 8.817 6.666 ( 2.957 0.205 -6.207) 6.878 6.820 ( 1.830 -1.423 9.249) 9.535 8.314 ( -4.514 0.682 -1.454) 4.791 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -1.207 1.899 0.575) 2.322 1.258 ( 4.913 -0.716 -0.568) 4.998 1.520 ( 0.683 -0.478 1.785) 1.970 2.182 ( 1.046 -0.131 -1.162) 1.569 2.711 ( 14.908 -1.744 1.152) 15.054 4.026 ( -4.058 -3.773 -1.101) 5.650 6.102 ( 7.697 -1.575 1.038) 7.925 6.158 ( -1.432 8.484 -2.303) 8.907 6.310 ( -2.639 -2.300 1.125) 3.677 6.700 ( 4.243 -0.098 -4.446) 6.146 6.854 ( 1.467 -2.355 4.726) 5.480 8.214 ( -7.366 0.988 -0.022) 7.432 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -1.649 2.129 0.799) 2.809 1.317 ( 3.936 -2.875 -1.162) 5.011 1.518 ( -0.106 -0.990 0.381) 1.066 2.191 ( 0.427 0.510 -2.622) 2.705 2.941 ( 15.274 -6.716 0.216) 16.687 3.900 ( -4.791 -4.334 -0.342) 6.469 6.101 ( -5.257 0.835 -7.717) 9.375 6.129 ( -2.495 -2.780 7.871) 8.712 6.400 ( 5.703 5.110 3.166) 8.286 6.781 ( 4.863 -5.160 -4.422) 8.357 6.874 ( 4.726 0.808 1.747) 5.103 8.103 ( -7.249 1.909 2.731) 7.979 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -1.566 1.831 0.880) 2.565 1.319 ( 1.521 -5.129 -1.185) 5.480 1.516 ( 1.100 -0.297 -0.501) 1.245 2.192 ( -0.376 1.380 -3.149) 3.458 3.048 ( 8.551 -14.271 -0.759) 16.654 3.820 ( -0.843 -0.578 0.696) 1.237 5.990 ( -3.919 -4.732 -2.642) 6.688 6.072 ( -3.851 0.689 6.111) 7.256 6.554 ( 4.544 6.058 2.482) 7.969 6.695 ( -3.426 -8.394 -2.761) 9.478 7.015 ( 7.458 0.121 -2.615) 7.904 8.042 ( -3.752 3.093 4.639) 6.721 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.974 1.398 0.945) 1.949 1.278 ( 0.073 -4.686 -0.402) 4.704 1.550 ( 3.208 -0.112 -0.110) 3.212 2.189 ( -0.953 2.313 -2.735) 3.707 2.960 ( 0.308 -16.641 -0.043) 16.644 3.856 ( 3.560 1.049 0.376) 3.730 5.863 ( -3.782 -6.967 2.531) 8.321 6.072 ( 0.008 3.088 3.193) 4.442 6.512 ( -6.535 -8.837 -2.602) 11.295 6.670 ( 1.886 4.136 1.377) 4.749 7.081 ( 2.604 -1.445 -2.644) 3.982 8.058 ( -0.129 3.389 3.493) 4.869 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 3.074 0.988) 3.229 1.150 ( -0.000 -0.043 0.697) 0.698 1.500 ( -0.000 0.743 3.804) 3.876 2.163 ( -0.000 1.006 -0.037) 1.006 2.424 ( 0.000 -1.853 1.220) 2.219 4.089 ( 0.000 -4.511 -1.237) 4.678 5.871 ( -0.000 1.523 3.121) 3.473 6.151 ( -0.000 7.218 1.041) 7.293 6.533 ( 0.000 -0.354 -11.340) 11.346 6.558 ( 0.000 -3.150 -3.449) 4.671 6.829 ( -0.000 -1.159 10.627) 10.690 8.352 ( 0.000 0.253 -1.658) 1.678 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.133 2.887 0.950) 3.244 1.183 ( 2.911 -0.156 0.246) 2.926 1.518 ( -0.007 -0.240 4.005) 4.013 2.179 ( -0.159 2.176 -0.856) 2.343 2.483 ( 9.107 -3.491 1.516) 9.871 4.005 ( -1.400 -8.959 -1.297) 9.160 5.963 ( 7.035 0.348 4.037) 8.119 6.248 ( 0.899 9.556 4.120) 10.445 6.380 ( -7.457 -1.983 -6.694) 10.215 6.594 ( 4.553 -2.956 -8.304) 9.920 6.849 ( -0.012 -0.803 8.720) 8.757 8.315 ( -3.810 0.307 -1.005) 3.952 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -1.672 2.695 0.744) 3.257 1.224 ( 3.096 -2.392 -0.947) 4.025 1.513 ( -0.580 -1.424 2.477) 2.916 2.192 ( -0.153 2.034 -1.763) 2.696 2.637 ( 12.765 -6.395 0.480) 14.285 3.873 ( -1.372 -11.046 -0.758) 11.156 6.071 ( 4.021 -3.647 4.821) 7.261 6.219 ( -6.681 -0.971 -6.294) 9.230 6.401 ( 3.224 9.831 6.373) 12.151 6.620 ( 5.686 -3.782 -7.283) 9.984 6.865 ( -0.168 0.657 5.158) 5.202 8.236 ( -5.775 0.896 1.043) 5.937 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -2.136 1.857 0.373) 2.854 1.230 ( 2.273 -4.763 -1.711) 5.548 1.496 ( 0.004 -1.743 1.467) 2.278 2.205 ( -0.135 2.416 -2.456) 3.448 2.748 ( 10.341 -12.228 -1.206) 16.060 3.769 ( 1.634 -9.201 0.538) 9.360 6.030 ( -4.606 -4.614 3.616) 7.455 6.114 ( -1.835 -3.244 -0.500) 3.760 6.570 ( 3.149 9.581 3.874) 10.804 6.632 ( 1.776 -6.175 -4.152) 7.651 6.916 ( 3.689 2.602 0.202) 4.519 8.159 ( -5.173 1.879 3.554) 6.552 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.381 0.593 0.500) 1.585 1.210 ( 1.691 -4.631 -0.909) 5.013 1.495 ( 1.637 -2.022 1.446) 2.976 2.221 ( -0.385 3.267 -2.853) 4.355 2.738 ( 5.758 -15.978 -0.874) 17.007 3.759 ( 5.567 -6.363 0.835) 8.496 5.903 ( -5.886 -4.583 6.093) 9.631 6.071 ( 0.882 -4.213 2.048) 4.767 6.534 ( -4.408 -5.320 -3.314) 7.663 6.709 ( 1.107 8.155 3.098) 8.794 7.000 ( 3.967 0.334 -3.756) 5.473 8.127 ( -2.695 2.704 4.553) 5.942 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 -0.748 0.838) 1.124 1.181 ( -0.000 3.155 0.079) 3.156 1.532 ( -0.000 -0.466 4.946) 4.968 2.224 ( -0.000 5.151 -0.035) 5.151 2.353 ( 0.000 -6.266 1.438) 6.429 3.897 ( 0.000 -14.147 -1.401) 14.216 5.923 ( -0.000 0.688 5.314) 5.358 6.355 ( -0.000 9.957 8.236) 12.922 6.439 ( 0.000 -5.583 -5.494) 7.833 6.456 ( 0.000 -0.371 -13.136) 13.141 6.876 ( -0.000 0.670 8.249) 8.276 8.345 ( 0.000 0.196 -1.458) 1.471 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.308 -1.264 0.448) 1.873 1.194 ( -1.050 1.249 -1.055) 1.943 1.526 ( -1.182 -1.530 3.637) 4.119 2.229 ( -1.899 1.221 0.455) 2.303 2.397 ( 8.493 -4.382 0.315) 9.562 3.734 ( 0.434 -17.618 -1.092) 17.657 5.975 ( 3.921 -2.576 4.490) 6.494 6.293 ( -5.948 -2.527 -5.855) 8.720 6.471 ( 4.384 -1.966 -11.365) 12.339 6.493 ( 1.507 8.628 11.590) 14.527 6.908 ( -0.776 3.255 4.900) 5.933 8.318 ( -2.962 0.598 -0.563) 3.074 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.232 -4.613 -2.388) 5.200 1.176 ( -0.825 0.962 -0.209) 1.284 1.494 ( -1.109 -2.199 2.729) 3.676 2.221 ( 0.383 -0.288 0.368) 0.604 2.480 ( 7.448 -7.597 -1.874) 10.803 3.590 ( 3.848 -17.455 0.122) 17.874 5.989 ( 2.190 -7.772 2.650) 8.498 6.160 ( -6.152 -1.211 -1.949) 6.566 6.505 ( 5.151 -2.550 -7.030) 9.081 6.639 ( 2.087 7.409 9.764) 12.434 6.947 ( -1.209 6.567 0.626) 6.707 8.265 ( -4.256 1.342 1.435) 4.687 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.573 -6.034 -2.784) 6.670 1.174 ( -0.220 -0.234 0.169) 0.363 1.469 ( -0.140 -2.293 3.078) 3.840 2.234 ( 1.476 -0.769 -0.065) 1.666 2.488 ( 5.351 -10.739 -2.215) 12.201 3.538 ( 8.431 -14.774 0.783) 17.028 5.935 ( 0.722 -8.922 4.139) 9.862 6.046 ( -5.451 -1.612 2.033) 6.037 6.514 ( 0.435 -3.137 -4.001) 5.103 6.773 ( 3.372 5.740 6.714) 9.455 6.992 ( -1.729 7.379 -3.945) 8.544 8.219 ( -3.680 2.138 3.343) 5.412 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 -1.826 0.224) 1.839 1.207 ( 0.000 -0.129 -1.969) 1.973 1.529 ( 0.000 -2.330 2.364) 3.320 2.195 ( 0.000 -10.309 0.234) 10.311 2.348 ( -0.000 6.173 1.597) 6.377 3.523 ( 0.000 -22.788 -1.176) 22.818 5.923 ( 0.000 -4.341 2.471) 4.995 6.322 ( 0.000 -2.151 -2.635) 3.401 6.359 ( 0.000 -1.929 -10.542) 10.717 6.598 ( -0.000 6.939 12.127) 13.972 6.981 ( -0.000 7.630 2.366) 7.989 8.347 ( -0.000 0.822 -1.022) 1.312 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.610 -3.884 -1.588) 4.240 1.184 ( -0.500 -1.433 -2.206) 2.678 1.495 ( -1.018 -3.213 1.270) 3.601 2.118 ( 3.629 -11.211 -0.348) 11.789 2.408 ( 0.065 3.394 0.817) 3.492 3.311 ( 3.844 -24.583 -0.340) 24.884 5.879 ( 1.309 -8.268 -0.794) 8.408 6.242 ( -4.551 -0.255 -1.701) 4.865 6.384 ( 4.745 -0.554 -5.121) 7.003 6.693 ( 1.056 2.828 11.378) 11.772 7.068 ( -1.609 11.973 -0.103) 12.081 8.335 ( -2.197 1.315 -0.136) 2.564 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -1.532 -7.808 -4.513) 9.147 1.166 ( 0.386 -1.678 -0.724) 1.868 1.457 ( -0.087 -3.093 1.989) 3.678 2.084 ( 5.983 -12.750 -0.325) 14.088 2.419 ( -1.046 1.292 0.093) 1.665 3.195 ( 9.974 -22.659 0.390) 24.760 5.808 ( 1.977 -10.047 -1.143) 10.303 6.160 ( -5.698 0.550 3.132) 6.526 6.448 ( 3.573 -0.018 -3.768) 5.192 6.761 ( 2.498 -0.121 8.174) 8.548 7.149 ( -3.839 13.648 -2.376) 14.376 8.306 ( -3.073 1.886 1.530) 3.917 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 -3.726 -1.386) 3.975 1.150 ( 0.000 -4.023 -3.868) 5.581 1.465 ( 0.000 -4.690 -0.769) 4.753 1.957 ( 0.000 -12.966 -1.930) 13.108 2.452 ( -0.000 2.765 1.742) 3.267 3.005 ( 0.000 -28.853 -0.050) 28.853 5.779 ( 0.000 -8.865 -2.954) 9.345 6.271 ( 0.000 -1.323 -6.431) 6.566 6.338 ( -0.000 2.768 2.840) 3.966 6.730 ( -0.000 -0.013 9.688) 9.688 7.218 ( -0.000 14.900 -0.091) 14.900 8.365 ( -0.000 1.443 -0.522) 1.534 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -4.709 -8.431 -5.925) 11.330 1.116 ( 1.921 -4.097 -2.023) 4.957 1.414 ( 0.651 -5.299 -0.391) 5.354 1.859 ( 4.139 -13.320 -2.091) 14.104 2.459 ( -1.247 0.464 1.162) 1.767 2.783 ( 7.767 -28.619 0.564) 29.660 5.684 ( 0.577 -9.229 -3.211) 9.789 6.238 ( -1.652 0.652 -1.238) 2.165 6.398 ( 2.207 2.600 1.365) 3.673 6.749 ( 0.543 -1.906 6.950) 7.227 7.346 ( -2.681 15.385 -0.951) 15.646 8.365 ( -1.520 1.595 0.210) 2.213 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 0.000 -7.780 -4.783) 9.133 0.996 ( 0.000 -8.483 -7.131) 11.082 1.335 ( 0.000 -8.074 -0.863) 8.120 1.687 ( 0.000 -12.108 -3.080) 12.493 2.402 ( 0.000 -27.149 1.478) 27.189 2.477 ( 0.000 -5.670 0.152) 5.672 5.584 ( 0.000 -8.183 -3.882) 9.057 6.242 ( -0.000 0.982 -1.429) 1.734 6.429 ( -0.000 3.789 3.908) 5.443 6.740 ( 0.000 -2.788 4.548) 5.335 7.522 ( -0.000 15.561 -0.497) 15.569 8.391 ( -0.000 1.125 -0.205) 1.144 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 0.000 -0.000 19.461) 19.461 0.370 ( 0.000 -0.000 19.461) 19.461 0.649 ( -0.000 -0.000 35.459) 35.459 1.341 ( 0.000 0.000 -1.093) 1.093 1.341 ( 0.000 0.000 -1.093) 1.093 3.145 ( 0.000 0.000 -8.241) 8.241 5.340 ( -0.000 -0.000 3.018) 3.018 5.340 ( -0.000 -0.000 3.018) 3.018 6.573 ( 0.000 0.000 -2.072) 2.072 6.573 ( 0.000 0.000 -2.072) 2.072 8.208 ( -0.000 -0.000 0.713) 0.713 8.489 ( 0.000 0.000 -0.415) 0.415 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 4.633 2.675 13.628) 14.640 0.445 ( 0.186 0.107 20.232) 20.233 1.062 ( 16.589 9.577 18.422) 26.576 1.355 ( 2.135 1.233 -1.410) 2.840 1.505 ( 14.231 8.216 1.035) 16.465 2.654 ( -19.394 -11.197 11.164) 25.022 5.354 ( 1.259 0.727 2.502) 2.894 5.928 ( 25.688 14.831 -20.051) 35.804 6.513 ( -3.315 -1.914 -4.099) 5.608 6.574 ( -0.397 -0.229 -1.469) 1.539 8.158 ( -7.057 -4.074 4.066) 9.107 8.379 ( -3.712 -2.143 0.955) 4.391 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 5.387 3.110 8.666) 10.667 0.591 ( 10.942 6.318 4.981) 13.581 1.330 ( 5.440 3.141 5.744) 8.512 1.436 ( 5.493 3.171 -1.140) 6.444 1.978 ( 23.655 13.657 5.341) 27.832 2.419 ( -5.010 -2.893 1.416) 5.956 5.409 ( 3.006 1.736 1.504) 3.783 6.212 ( 1.791 1.034 -6.121) 6.461 6.464 ( 4.681 2.703 -11.443) 12.655 6.550 ( -1.332 -0.769 -0.902) 1.783 7.941 ( -12.039 -6.951 6.929) 15.532 8.343 ( -0.828 -0.478 -2.849) 3.006 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 6.983 4.031 -0.244) 8.066 0.835 ( 9.015 5.205 1.224) 10.482 1.398 ( 0.048 0.028 1.425) 1.427 1.607 ( 9.913 5.723 -0.617) 11.463 2.349 ( 2.519 1.454 -6.414) 7.043 2.561 ( 21.845 12.612 5.535) 25.825 5.498 ( 4.501 2.599 0.045) 5.198 6.070 ( -9.078 -5.241 -5.256) 11.726 6.514 ( -1.584 -0.914 -0.113) 1.832 6.628 ( 9.491 5.479 -8.624) 13.945 7.675 ( -12.982 -7.495 5.751) 16.055 8.300 ( -2.102 -1.213 -3.246) 4.053 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 8.135 4.697 -3.556) 10.044 0.998 ( 5.450 3.147 -0.362) 6.304 1.363 ( -2.272 -1.312 -2.540) 3.652 1.867 ( 12.473 7.201 -0.580) 14.414 2.388 ( 2.408 1.390 -3.717) 4.642 3.067 ( 20.703 11.953 1.878) 23.980 5.611 ( 5.615 3.242 -1.718) 6.707 5.836 ( -9.267 -5.350 -6.643) 12.595 6.482 ( -1.316 -0.760 1.180) 1.924 6.801 ( 7.429 4.289 -6.213) 10.592 7.389 ( -13.326 -7.694 4.093) 15.922 8.236 ( -2.497 -1.442 -2.457) 3.788 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 5.526 3.190 -1.925) 6.665 1.093 ( 3.230 1.865 -0.830) 3.822 1.328 ( 1.848 1.067 -5.144) 5.569 2.141 ( 11.322 6.537 -1.057) 13.116 2.412 ( -0.140 -0.081 -0.822) 0.838 3.496 ( 16.516 9.535 0.737) 19.085 5.640 ( -5.689 -3.285 -5.667) 8.676 5.737 ( 6.101 3.523 -3.545) 7.887 6.461 ( -1.088 -0.628 3.016) 3.268 6.897 ( 1.043 0.602 -7.577) 7.673 7.126 ( -8.929 -5.155 4.461) 11.234 8.183 ( -1.594 -0.920 -0.802) 2.007 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.486 -0.281 -1.194) 1.319 1.147 ( 1.874 1.082 -0.870) 2.332 1.454 ( 9.022 5.209 -4.806) 11.473 2.356 ( 7.755 4.477 -1.509) 9.081 2.364 ( -4.056 -2.341 0.440) 4.704 3.811 ( 10.833 6.255 0.987) 12.548 5.565 ( 0.232 0.134 -1.575) 1.598 5.861 ( 5.819 3.360 -5.009) 8.381 6.445 ( -1.539 -0.889 4.953) 5.262 6.750 ( -8.807 -5.085 -4.336) 11.056 7.080 ( 1.105 0.638 0.120) 1.281 8.163 ( -0.256 -0.148 1.407) 1.437 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.421 0.243 -0.406) 0.634 1.175 ( 0.801 0.462 -0.755) 1.194 1.630 ( 6.549 3.781 -4.918) 9.021 2.252 ( -4.912 -2.836 0.199) 5.675 2.476 ( 3.069 1.772 -1.621) 3.896 3.986 ( 4.077 2.354 1.795) 5.039 5.635 ( 4.992 2.882 5.135) 7.720 5.966 ( 4.745 2.739 -5.553) 7.801 6.414 ( -2.761 -1.594 6.176) 6.950 6.576 ( -4.587 -2.648 -3.293) 6.236 7.098 ( 0.404 0.233 -2.207) 2.256 8.176 ( 0.609 0.351 3.445) 3.515 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.992 1.150 0.955) 2.491 1.180 ( -0.186 -0.107 -0.532) 0.574 1.679 ( -1.294 -0.747 -3.277) 3.602 2.199 ( 1.176 0.679 -1.699) 2.174 2.484 ( -1.940 -1.120 -1.276) 2.578 4.001 ( -3.468 -2.002 2.414) 4.675 5.791 ( 5.763 3.327 12.525) 14.184 6.035 ( 2.359 1.362 -4.387) 5.164 6.358 ( -3.498 -2.019 5.548) 6.862 6.543 ( 2.929 1.691 -5.276) 6.267 7.083 ( -0.965 -0.557 -3.109) 3.302 8.207 ( 0.996 0.575 4.649) 4.789 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.463 0.845 1.925) 2.561 1.163 ( -1.172 -0.677 -0.154) 1.362 1.599 ( -4.179 -2.413 0.913) 4.911 2.274 ( 5.137 2.966 -3.289) 6.783 2.383 ( -6.645 -3.837 -0.426) 7.685 3.840 ( -11.370 -6.564 2.209) 13.314 5.955 ( 4.566 2.636 17.204) 17.994 6.027 ( -2.904 -1.677 0.042) 3.354 6.311 ( -0.988 -0.570 1.249) 1.692 6.663 ( 8.687 5.015 -8.961) 13.451 7.040 ( -1.766 -1.020 -3.049) 3.669 8.248 ( 1.404 0.811 4.802) 5.068 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -2.332 -1.346 0.510) 2.740 1.162 ( -1.391 -0.803 3.018) 3.419 1.522 ( -3.209 -1.853 3.002) 4.769 2.188 ( -10.282 -5.936 0.924) 11.908 2.384 ( 4.866 2.809 -2.115) 6.004 3.501 ( -18.726 -10.812 1.023) 21.648 5.911 ( -7.185 -4.148 3.638) 9.059 6.098 ( 3.487 2.013 16.112) 16.608 6.323 ( 1.880 1.086 -2.673) 3.443 6.818 ( 5.105 2.947 -11.310) 12.754 7.029 ( 3.892 2.247 -1.707) 4.807 8.299 ( 1.876 1.083 3.918) 4.477 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.035 -2.330 1.852) 5.014 1.108 ( -4.355 -2.514 5.286) 7.295 1.453 ( -4.003 -2.311 1.868) 4.985 1.937 ( -11.845 -6.838 2.451) 13.895 2.463 ( 2.014 1.163 -0.470) 2.372 3.008 ( -24.364 -14.066 -0.669) 28.141 5.746 ( -8.044 -4.644 4.226) 10.204 6.199 ( 1.820 1.051 9.351) 9.584 6.369 ( 2.920 1.686 -3.831) 5.103 6.805 ( -1.706 -0.985 -6.835) 7.113 7.229 ( 12.210 7.050 -2.524) 14.324 8.353 ( 1.886 1.089 2.208) 3.102 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.000 12.746 7.861) 14.976 0.697 ( -0.000 10.979 13.742) 17.589 1.047 ( -0.000 12.929 25.522) 28.610 1.382 ( -0.000 4.481 -0.593) 4.520 1.458 ( -0.000 12.700 -0.740) 12.722 2.693 ( 0.000 -20.856 6.978) 21.992 5.405 ( -0.000 3.551 4.012) 5.358 5.824 ( -0.000 26.334 -16.792) 31.232 6.516 ( 0.000 -2.949 -3.192) 4.345 6.569 ( 0.000 0.346 -3.024) 3.044 8.161 ( 0.000 -8.356 3.474) 9.049 8.385 ( 0.000 -4.343 0.437) 4.365 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 2.413 15.610 1.870) 15.906 0.730 ( -8.039 11.491 14.744) 20.348 1.281 ( 5.215 4.689 9.147) 11.526 1.439 ( 1.101 7.791 -0.588) 7.891 1.794 ( 17.306 18.298 5.430) 25.764 2.486 ( -6.133 -7.329 1.958) 9.755 5.438 ( -1.133 5.228 3.192) 6.229 6.107 ( 10.465 10.400 -10.574) 18.152 6.438 ( -3.066 -2.417 -5.563) 6.797 6.561 ( -0.405 0.398 -3.674) 3.718 8.015 ( -5.683 -13.011 6.127) 15.464 8.349 ( -1.024 -0.177 -2.496) 2.704 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -2.156 9.088 8.273) 12.477 0.843 ( 2.346 13.252 1.048) 13.499 1.383 ( 2.045 0.324 2.894) 3.558 1.571 ( 4.170 10.482 -0.109) 11.281 2.281 ( 11.695 11.938 -2.940) 16.968 2.420 ( 6.688 6.216 3.144) 9.656 5.499 ( 0.773 6.029 2.002) 6.399 6.155 ( -6.561 -3.116 -3.658) 8.132 6.460 ( 7.417 2.015 -6.095) 9.809 6.551 ( 0.698 2.485 -5.895) 6.435 7.780 ( -8.619 -12.775 5.831) 16.477 8.313 ( -1.895 -0.748 -3.387) 3.952 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 1.706 7.860 3.387) 8.727 0.994 ( 2.440 8.735 -1.163) 9.144 1.377 ( -1.587 -1.855 -1.279) 2.756 1.790 ( 7.880 12.383 0.143) 14.679 2.355 ( 1.871 2.715 -4.371) 5.476 2.869 ( 19.153 15.951 2.181) 25.021 5.590 ( 2.126 6.475 0.389) 6.826 5.949 ( -10.432 -3.328 -4.787) 11.951 6.495 ( -0.467 -0.471 -0.484) 0.821 6.677 ( 8.964 3.948 -7.411) 12.283 7.513 ( -10.313 -11.576 4.260) 16.079 8.251 ( -2.443 -2.026 -3.042) 4.396 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.684 6.129 1.528) 7.864 1.092 ( 1.357 5.443 -1.162) 5.729 1.320 ( -1.301 -0.249 -4.196) 4.400 2.057 ( 8.796 11.675 -0.493) 14.626 2.404 ( 1.452 1.967 -1.183) 2.716 3.325 ( 16.642 13.082 0.579) 21.176 5.670 ( -0.885 1.532 -3.117) 3.584 5.769 ( -5.316 4.520 -2.580) 7.440 6.482 ( -0.824 0.110 0.911) 1.233 6.817 ( 6.042 1.127 -6.797) 9.164 7.243 ( -10.092 -8.697 3.378) 13.744 8.184 ( -1.400 -2.781 -1.845) 3.619 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.629 1.108 0.222) 1.294 1.137 ( 0.857 2.408 -0.481) 2.601 1.368 ( 5.503 5.889 -4.036) 9.014 2.282 ( 5.930 5.968 -0.875) 8.459 2.425 ( -1.316 3.978 -0.031) 4.190 3.685 ( 12.594 8.672 0.798) 15.312 5.594 ( -3.145 1.353 -1.883) 3.907 5.842 ( 1.970 8.491 -2.613) 9.100 6.471 ( -1.266 -0.601 3.023) 3.332 6.806 ( -3.883 -4.287 -6.377) 8.610 7.086 ( -2.205 -1.329 1.854) 3.172 8.147 ( 0.691 -2.725 0.195) 2.818 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -0.317 -0.457 -0.589) 0.810 1.176 ( 0.452 2.421 -0.471) 2.507 1.533 ( 7.154 4.725 -3.706) 9.341 2.293 ( -3.233 -3.739 0.325) 4.954 2.504 ( 0.346 10.421 -1.782) 10.578 3.921 ( 7.399 3.640 1.726) 8.424 5.622 ( 2.432 4.926 3.296) 6.406 5.949 ( 2.111 7.964 -3.880) 9.107 6.431 ( -2.432 -3.939 4.563) 6.500 6.661 ( -5.991 -0.855 -3.247) 6.868 7.081 ( 0.525 -0.086 -1.957) 2.028 8.154 ( 2.219 -2.060 2.502) 3.928 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.759 0.399 0.177) 1.813 1.194 ( -0.680 1.897 -0.439) 2.063 1.639 ( 3.232 -0.020 -4.384) 5.447 2.199 ( -2.476 -2.186 -0.388) 3.325 2.565 ( -3.673 8.095 -1.792) 9.068 4.013 ( 1.083 -1.076 2.460) 2.895 5.770 ( 5.595 5.677 9.211) 12.181 6.044 ( 1.099 8.037 -4.366) 9.212 6.355 ( -1.335 -6.000 4.686) 7.729 6.584 ( -3.862 3.462 -2.391) 5.712 7.070 ( -0.061 -1.299 -3.651) 3.875 8.189 ( 2.490 -1.306 4.063) 4.941 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 2.637 0.597 1.053) 2.902 1.187 ( -1.688 0.989 -0.132) 1.961 1.618 ( -1.514 -3.189 -2.044) 4.079 2.194 ( 3.248 -0.179 -1.980) 3.808 2.524 ( -8.336 5.378 -1.169) 9.989 3.946 ( -6.507 -4.848 2.423) 8.468 5.947 ( 5.259 3.455 13.432) 14.832 6.095 ( -3.175 6.033 -2.049) 7.118 6.317 ( 0.623 -3.072 4.443) 5.437 6.589 ( 1.878 4.961 -6.494) 8.385 7.033 ( -0.734 -2.304 -4.147) 4.800 8.233 ( 2.289 -0.752 4.397) 5.014 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -2.570 -0.988 0.869) 2.887 1.168 ( 0.984 -0.065 1.364) 1.683 1.553 ( -2.094 -2.579 0.818) 3.421 2.252 ( 2.345 -1.591 -1.914) 3.419 2.402 ( -8.402 3.618 -0.304) 9.153 3.709 ( -14.934 -7.362 1.501) 16.718 6.014 ( -6.614 -0.316 1.338) 6.755 6.106 ( 3.470 1.148 14.212) 14.675 6.328 ( -0.584 2.599 1.861) 3.250 6.707 ( 7.725 5.258 -11.002) 14.435 6.989 ( 0.444 -1.944 -3.039) 3.635 8.279 ( 2.363 -0.413 3.560) 4.293 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -3.565 -4.141 2.678) 6.085 1.165 ( -1.639 -0.430 2.020) 2.636 1.496 ( -2.758 -1.989 0.953) 3.531 2.112 ( -12.604 -2.500 0.972) 12.886 2.416 ( 3.636 1.101 -0.877) 3.899 3.309 ( -22.923 -8.449 0.172) 24.431 5.861 ( -8.897 -3.341 2.977) 9.959 6.201 ( 2.636 -0.448 8.102) 8.532 6.357 ( -0.009 3.583 0.173) 3.587 6.790 ( 0.692 1.156 -9.991) 10.082 7.075 ( 10.669 3.424 -1.344) 11.286 8.326 ( 2.527 -0.321 1.843) 3.144 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.000 16.541 -0.708) 16.556 0.929 ( -0.000 6.206 6.508) 8.993 1.335 ( -0.000 5.492 10.834) 12.146 1.521 ( -0.000 9.550 0.645) 9.572 1.861 ( -0.000 25.262 5.997) 25.964 2.468 ( 0.000 -5.810 -1.358) 5.966 5.522 ( -0.000 5.833 3.563) 6.836 6.097 ( -0.000 11.316 -7.405) 13.524 6.428 ( 0.000 -3.773 -3.113) 4.892 6.549 ( 0.000 0.518 -7.303) 7.321 7.931 ( 0.000 -16.225 5.899) 17.264 8.351 ( 0.000 0.184 -3.088) 3.093 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.404 11.945 0.359) 12.032 0.974 ( -1.881 7.462 3.789) 8.578 1.391 ( -0.641 2.009 5.081) 5.501 1.640 ( 1.684 12.116 0.550) 12.244 2.247 ( 10.309 23.513 3.024) 25.851 2.411 ( -0.010 0.781 -2.769) 2.877 5.581 ( -1.000 7.148 2.678) 7.698 6.195 ( -0.090 2.598 -2.363) 3.513 6.375 ( 1.416 0.042 -4.508) 4.725 6.535 ( 0.705 0.448 -8.504) 8.545 7.753 ( -3.550 -16.571 5.644) 17.862 8.329 ( -1.540 -0.172 -3.594) 3.913 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -2.614 7.843 4.302) 9.320 1.057 ( 0.465 8.714 -1.413) 8.840 1.382 ( -1.669 -1.187 -0.213) 2.060 1.823 ( 4.475 13.895 0.510) 14.607 2.363 ( -0.264 3.793 -3.394) 5.096 2.755 ( 15.281 20.715 1.611) 25.792 5.654 ( -0.090 7.945 1.564) 8.098 6.080 ( -8.951 -1.636 -3.087) 9.609 6.466 ( 3.979 0.580 -1.371) 4.248 6.557 ( 5.360 2.739 -8.791) 10.654 7.530 ( -5.809 -15.426 4.561) 17.103 8.270 ( -3.092 -1.431 -3.703) 5.032 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.031 7.583 4.443) 8.789 1.133 ( 0.217 5.592 -1.020) 5.688 1.329 ( -1.651 -0.490 -4.213) 4.552 2.053 ( 6.322 12.888 -0.381) 14.361 2.411 ( 1.270 4.717 0.482) 4.909 3.201 ( 14.611 16.842 -0.293) 22.298 5.721 ( -1.456 5.472 -1.403) 5.834 5.922 ( -7.713 3.868 -1.287) 8.724 6.487 ( 0.618 0.228 -2.737) 2.815 6.693 ( 7.636 1.884 -4.828) 9.228 7.293 ( -6.599 -12.628 3.276) 14.620 8.182 ( -3.099 -2.955 -3.477) 5.516 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.957 3.009 2.981) 4.343 1.156 ( -0.011 2.333 0.249) 2.346 1.349 ( 2.793 6.045 -3.847) 7.690 2.251 ( 4.688 5.871 -0.645) 7.541 2.498 ( 0.765 9.416 1.802) 9.617 3.568 ( 12.181 11.070 -0.230) 16.461 5.679 ( -4.850 3.170 -2.746) 6.412 5.929 ( -1.456 9.519 0.773) 9.661 6.490 ( -0.095 0.517 -1.175) 1.287 6.769 ( 1.489 -1.968 -3.990) 4.692 7.115 ( -3.174 -5.573 2.005) 6.720 8.102 ( -0.587 -4.162 -2.427) 4.853 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -1.615 -1.131 -0.146) 1.977 1.205 ( 0.084 4.277 0.880) 4.367 1.476 ( 4.743 5.716 -1.598) 7.598 2.297 ( -0.788 -2.120 0.879) 2.426 2.632 ( -0.312 14.920 -0.689) 14.939 3.826 ( 8.745 4.617 0.959) 9.935 5.671 ( -0.799 6.387 0.980) 6.511 6.007 ( 0.054 7.793 -0.167) 7.795 6.470 ( -2.968 -0.536 1.456) 3.349 6.706 ( -2.641 -2.100 -2.758) 4.358 7.077 ( -0.342 -0.031 -1.197) 1.246 8.077 ( 3.074 -4.289 -0.199) 5.281 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 0.632 -0.355 -0.166) 0.744 1.238 ( -1.153 3.755 0.434) 3.952 1.577 ( 3.135 1.413 -2.352) 4.166 2.227 ( -3.459 -3.036 0.606) 4.642 2.741 ( -4.078 14.363 -1.741) 15.032 3.962 ( 4.530 -0.912 2.103) 5.077 5.776 ( 3.482 7.202 5.226) 9.555 6.086 ( 1.936 5.705 -0.483) 6.044 6.391 ( -5.586 -0.623 2.392) 6.108 6.662 ( -2.239 2.096 -1.453) 3.393 7.054 ( -1.134 -0.843 -3.835) 4.087 8.113 ( 4.840 -3.329 1.987) 6.201 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.591 0.217 0.204) 2.608 1.241 ( -2.424 2.712 0.449) 3.665 1.590 ( 0.218 -2.412 -2.586) 3.543 2.164 ( -0.797 -1.201 -0.019) 1.442 2.751 ( -9.012 11.025 -1.483) 14.317 3.973 ( -1.001 -4.276 2.270) 4.943 5.928 ( 4.838 3.577 8.479) 10.396 6.197 ( 2.948 8.167 -1.899) 8.888 6.299 ( -4.323 -1.332 3.579) 5.768 6.642 ( -3.227 4.093 -1.836) 5.526 7.004 ( -0.856 -2.702 -4.876) 5.640 8.174 ( 4.363 -2.344 2.713) 5.647 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.562 -0.200 0.627) 2.645 1.208 ( -3.664 0.647 0.730) 3.792 1.549 ( -0.744 -2.584 -1.091) 2.902 2.179 ( 3.049 -0.214 -0.496) 3.096 2.644 ( -12.928 6.325 -0.317) 14.396 3.853 ( -8.357 -5.371 1.351) 10.026 6.053 ( 4.819 -0.099 7.976) 9.319 6.163 ( -7.977 0.561 -0.340) 8.004 6.375 ( 3.313 5.959 5.413) 8.705 6.638 ( 0.785 4.409 -6.917) 8.240 6.952 ( -0.113 -2.837 -4.024) 4.925 8.227 ( 3.509 -1.857 1.939) 4.418 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -4.167 -3.041 2.796) 5.868 1.174 ( 0.270 0.191 0.182) 0.378 1.511 ( -1.251 -1.739 -0.946) 2.342 2.226 ( 0.428 -0.106 -0.804) 0.917 2.465 ( -10.733 1.938 1.403) 10.996 3.590 ( -16.876 -4.786 0.101) 17.542 6.000 ( -9.584 -1.931 0.291) 9.781 6.138 ( 4.161 -3.107 3.407) 6.211 6.440 ( -2.978 4.671 6.124) 8.257 6.734 ( 5.548 4.237 -10.648) 12.732 6.952 ( 4.721 -0.016 -0.282) 4.729 8.270 ( 3.239 -1.729 0.273) 3.682 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -0.000 11.147 -1.732) 11.280 1.037 ( -0.000 2.945 1.543) 3.325 1.436 ( -0.000 0.806 3.350) 3.446 1.741 ( -0.000 11.872 0.180) 11.873 2.392 ( -0.000 2.338 -4.865) 5.397 2.448 ( -0.000 27.001 3.852) 27.274 5.664 ( -0.000 6.658 1.000) 6.733 6.235 ( -0.000 5.528 -0.515) 5.552 6.348 ( 0.000 -2.544 -1.056) 2.754 6.494 ( 0.000 -0.000 -11.999) 11.999 7.628 ( 0.000 -17.714 5.665) 18.598 8.333 ( 0.000 0.088 -3.693) 3.694 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.714 3.573 0.886) 3.749 1.127 ( 0.055 7.852 -1.610) 8.016 1.413 ( -2.653 -0.964 -0.826) 2.941 1.888 ( 3.187 12.263 -0.337) 12.675 2.387 ( 0.334 1.702 -3.616) 4.010 2.803 ( 6.779 27.015 2.081) 27.930 5.730 ( 0.312 6.565 -0.485) 6.590 6.198 ( -6.616 0.263 -2.325) 7.017 6.391 ( 4.895 1.250 -0.610) 5.089 6.485 ( 2.545 1.458 -9.270) 9.723 7.450 ( -2.451 -17.178 5.222) 18.121 8.301 ( -2.508 -0.320 -3.770) 4.539 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.682 4.612 1.649) 4.945 1.182 ( -0.624 4.225 -0.120) 4.272 1.347 ( -2.318 0.188 -4.903) 5.427 2.074 ( 4.869 10.898 -0.939) 11.973 2.434 ( 2.604 4.102 1.002) 4.962 3.184 ( 8.800 21.720 -0.232) 23.436 5.792 ( -0.385 5.521 -2.272) 5.982 6.083 ( -6.798 3.589 -1.600) 7.852 6.438 ( 2.685 -1.143 -6.769) 7.371 6.586 ( 6.662 3.725 -0.905) 7.686 7.249 ( -3.684 -15.317 4.198) 16.303 8.218 ( -4.748 -1.349 -4.097) 6.415 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -2.794 -1.795 0.601) 3.375 1.178 ( 1.648 4.925 2.479) 5.754 1.359 ( 1.729 6.135 -4.227) 7.648 2.231 ( 3.721 4.994 -0.268) 6.233 2.568 ( 4.326 9.725 2.898) 11.031 3.510 ( 8.341 14.521 -1.010) 16.776 5.787 ( -3.958 4.424 -4.399) 7.388 6.061 ( -3.095 7.652 2.082) 8.513 6.451 ( 2.838 -1.214 -7.004) 7.654 6.725 ( 4.197 3.055 1.518) 5.408 7.076 ( -1.390 -10.724 2.578) 11.116 8.099 ( -4.729 -2.768 -4.385) 7.018 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -2.325 -2.243 -0.312) 3.246 1.253 ( 0.565 4.823 1.761) 5.166 1.462 ( 3.300 5.611 -0.715) 6.548 2.289 ( 0.532 -0.704 1.530) 1.766 2.769 ( 3.208 15.243 1.077) 15.614 3.739 ( 6.792 6.150 -0.407) 9.172 5.768 ( -2.647 6.788 -2.198) 7.610 6.091 ( -2.249 4.947 2.943) 6.179 6.466 ( 2.436 -1.411 -5.632) 6.297 6.755 ( -3.600 2.066 3.941) 5.723 7.046 ( 3.631 -2.138 -0.711) 4.274 7.999 ( -0.851 -4.169 -3.504) 5.512 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.578 -1.155 -0.260) 1.317 1.302 ( -0.829 4.675 1.185) 4.894 1.547 ( 2.033 1.815 -0.385) 2.752 2.255 ( -2.572 -2.589 1.475) 3.937 2.951 ( -1.571 17.332 -0.544) 17.411 3.864 ( 5.411 -1.519 0.876) 5.688 5.821 ( 0.730 6.806 0.930) 6.908 6.107 ( -0.348 2.183 3.888) 4.473 6.457 ( -0.515 -1.446 -3.890) 4.182 6.738 ( -3.501 5.819 3.721) 7.744 7.065 ( -0.869 0.151 -3.610) 3.716 7.985 ( 4.907 -4.326 -1.081) 6.630 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 1.510 -0.275 -0.133) 1.540 1.321 ( -2.518 4.006 1.145) 4.868 1.560 ( 0.110 -1.815 -1.185) 2.170 2.185 ( -2.761 -1.702 1.084) 3.420 3.026 ( -8.385 14.833 -1.100) 17.074 3.909 ( 3.619 -5.393 1.615) 6.693 5.906 ( 2.884 1.744 3.825) 5.098 6.178 ( 3.806 4.865 3.079) 6.901 6.398 ( -3.751 -0.922 -2.387) 4.541 6.762 ( -3.784 8.229 3.048) 9.557 6.997 ( -3.432 -2.362 -5.388) 6.811 8.054 ( 6.773 -3.266 0.334) 7.527 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 2.792 -0.161 -0.204) 2.804 1.294 ( -4.563 1.752 1.189) 5.030 1.531 ( -0.277 -2.081 -0.891) 2.280 2.153 ( -0.007 -0.313 1.308) 1.345 2.947 ( -13.882 8.541 -0.400) 16.304 3.887 ( -1.007 -4.855 0.949) 5.049 5.979 ( 4.294 -1.889 5.434) 7.179 6.273 ( -3.017 -1.015 -7.663) 8.298 6.361 ( 3.706 6.121 6.978) 9.995 6.750 ( -7.557 6.150 0.099) 9.743 6.916 ( -0.195 -2.500 -3.537) 4.336 8.132 ( 5.430 -2.557 -0.321) 6.011 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 1.847 -0.949 0.201) 2.086 1.216 ( -5.070 -0.377 1.238) 5.232 1.508 ( -0.667 -0.979 -1.101) 1.617 2.187 ( 2.852 0.657 1.588) 3.330 2.738 ( -16.338 2.478 0.912) 16.550 3.772 ( -8.595 -2.655 -0.244) 8.999 6.035 ( 3.679 -4.147 1.666) 5.789 6.131 ( -7.518 -2.522 -3.374) 8.618 6.530 ( 2.705 4.258 7.229) 8.815 6.671 ( -0.839 2.312 -7.357) 7.757 6.916 ( 0.523 1.740 0.277) 1.838 8.184 ( 4.092 -2.326 -1.953) 5.096 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 1.798 -0.569) 1.886 1.194 ( -0.000 5.932 -0.963) 6.010 1.418 ( 0.000 -1.825 -4.211) 4.589 1.970 ( -0.000 11.373 -1.170) 11.433 2.373 ( 0.000 -0.132 -3.426) 3.428 3.035 ( -0.000 27.946 1.922) 28.012 5.770 ( -0.000 4.400 -3.391) 5.556 6.260 ( 0.000 -1.235 -10.991) 11.061 6.339 ( -0.000 1.589 2.788) 3.209 6.469 ( -0.000 4.096 -2.646) 4.876 7.318 ( 0.000 -16.959 5.601) 17.860 8.314 ( 0.000 0.386 -3.540) 3.561 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 1.432 2.011 -0.604) 2.542 1.229 ( -0.819 1.842 0.632) 2.113 1.368 ( -1.493 0.485 -7.451) 7.614 2.103 ( 3.041 9.874 -1.257) 10.408 2.393 ( 3.947 -0.008 -0.388) 3.966 3.324 ( 2.491 24.317 0.493) 24.449 5.813 ( 1.797 3.453 -4.469) 5.926 6.176 ( -2.321 0.041 -11.231) 11.469 6.379 ( 0.554 1.370 -0.606) 1.597 6.545 ( 3.301 4.906 1.892) 6.209 7.158 ( -1.793 -15.386 5.357) 16.391 8.277 ( -3.663 0.348 -3.664) 5.192 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 0.946 -0.413 -0.535) 1.163 1.205 ( -0.241 0.248 0.926) 0.988 1.379 ( 1.267 5.465 -4.790) 7.377 2.224 ( 2.417 4.408 0.369) 5.040 2.527 ( 9.149 4.561 1.103) 10.282 3.579 ( 2.539 18.110 -0.524) 18.295 5.851 ( -0.221 3.885 -6.245) 7.358 6.157 ( 0.793 3.932 -5.416) 6.739 6.379 ( -0.201 -0.367 -2.503) 2.538 6.672 ( 5.949 3.517 1.865) 7.158 7.004 ( -1.972 -11.493 5.056) 12.710 8.175 ( -6.762 -0.204 -4.300) 8.016 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.107 -2.881 -0.855) 3.670 1.273 ( 2.680 3.464 0.939) 4.480 1.462 ( 2.648 4.942 -0.746) 5.656 2.275 ( 1.064 -0.367 2.081) 2.366 2.778 ( 10.945 9.694 0.711) 14.638 3.748 ( 0.938 10.075 -0.774) 10.149 5.857 ( -1.577 5.686 -6.145) 8.519 6.195 ( -2.288 4.286 1.999) 5.254 6.368 ( 2.583 -2.753 -4.935) 6.213 6.821 ( 5.212 3.769 2.735) 6.990 6.921 ( 2.249 -5.797 3.049) 6.925 8.032 ( -7.171 -1.009 -4.661) 8.612 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.221 -1.611 -0.479) 2.077 1.347 ( 1.359 3.886 0.599) 4.161 1.534 ( 1.504 1.549 0.551) 2.228 2.268 ( -1.018 -2.221 1.756) 3.009 3.067 ( 8.182 13.903 0.444) 16.138 3.802 ( -0.388 0.683 -0.459) 0.910 5.879 ( -0.839 5.048 -3.336) 6.109 6.182 ( -3.352 3.058 6.117) 7.616 6.375 ( 3.342 -3.742 -6.328) 8.076 6.874 ( -2.528 4.815 6.344) 8.355 7.014 ( 7.035 -0.286 -2.534) 7.483 7.913 ( -2.539 -1.869 -3.416) 4.648 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.263 -0.552 -0.188) 0.640 1.396 ( -0.620 4.185 0.800) 4.306 1.540 ( -0.289 -2.190 -0.046) 2.210 2.218 ( -2.442 -1.960 1.067) 3.308 3.286 ( -1.973 16.453 -0.131) 16.572 3.775 ( 2.923 -7.822 0.355) 8.358 5.896 ( 0.197 0.865 0.495) 1.016 6.207 ( -0.410 4.176 4.091) 5.860 6.370 ( 2.381 -2.724 -4.073) 5.448 6.903 ( -1.771 4.575 4.786) 6.854 7.043 ( -3.259 1.182 -3.958) 5.261 7.911 ( 5.004 -1.926 -1.363) 5.533 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 1.747 -0.135 -0.311) 1.779 1.394 ( -4.262 1.937 0.942) 4.775 1.510 ( 0.382 -1.905 -0.071) 1.944 2.170 ( -1.649 -0.825 1.455) 2.349 3.270 ( -13.844 8.648 -0.011) 16.323 3.794 ( 6.250 -5.500 0.258) 8.330 5.921 ( 2.162 -0.898 3.935) 4.579 6.216 ( 1.025 -3.752 -7.228) 8.208 6.415 ( 1.357 5.440 5.027) 7.531 6.884 ( -3.377 -5.471 -4.590) 7.900 6.970 ( -6.337 8.215 4.094) 11.154 7.999 ( 6.705 -1.470 -1.720) 7.076 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 2.453 -0.358 -0.708) 2.579 1.309 ( -5.588 -0.964 0.978) 5.754 1.513 ( -0.251 0.606 0.286) 0.715 2.166 ( 0.997 0.285 2.546) 2.749 3.042 ( -16.802 0.226 0.603) 16.814 3.826 ( 0.036 -0.779 -0.532) 0.944 5.958 ( 1.691 -2.985 3.498) 4.899 6.147 ( -0.406 -4.583 -9.403) 10.468 6.527 ( 2.749 5.200 7.200) 9.297 6.716 ( -5.529 -5.467 -6.175) 9.929 6.983 ( -3.036 5.869 4.228) 7.844 8.079 ( 4.957 -1.269 -3.450) 6.171 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 1.361 -0.988) 1.682 1.236 ( 0.000 -2.704 -0.016) 2.704 1.366 ( 0.000 2.697 -8.717) 9.125 2.168 ( -0.000 9.527 -1.461) 9.638 2.336 ( 0.000 -2.868 0.738) 2.962 3.540 ( -0.000 22.342 -0.022) 22.342 5.800 ( 0.000 1.780 -4.974) 5.283 6.117 ( 0.000 -2.487 -17.662) 17.837 6.432 ( -0.000 4.846 3.943) 6.247 6.575 ( -0.000 5.074 2.465) 5.641 7.042 ( 0.000 -14.195 5.941) 15.388 8.309 ( 0.000 1.172 -3.214) 3.421 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 1.402 0.473 -0.712) 1.642 1.190 ( 0.129 -3.268 -1.602) 3.642 1.391 ( 1.242 4.546 -4.910) 6.805 2.242 ( -0.021 3.224 0.947) 3.360 2.393 ( 8.661 1.213 0.307) 8.751 3.741 ( 0.040 17.704 -0.699) 17.717 5.836 ( 3.109 2.553 -5.193) 6.569 6.073 ( 3.513 -0.802 -14.914) 15.343 6.457 ( -3.690 3.835 3.467) 6.352 6.637 ( 1.694 2.559 0.296) 3.083 6.935 ( 0.004 -9.946 7.003) 12.164 8.272 ( -4.625 1.288 -3.392) 5.878 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -1.372 -2.786 -1.306) 3.369 1.237 ( 4.356 1.624 -0.229) 4.655 1.460 ( 2.514 4.072 -0.998) 4.888 2.258 ( 0.784 -1.492 2.495) 3.011 2.623 ( 13.880 4.842 -0.343) 14.704 3.871 ( -1.782 11.667 -0.903) 11.837 5.892 ( 1.097 5.024 -7.929) 9.451 6.146 ( 7.992 0.496 -7.903) 11.250 6.403 ( -5.789 0.046 4.793) 7.515 6.690 ( 5.278 -1.262 -2.314) 5.900 6.907 ( 0.842 -2.367 7.274) 7.696 8.162 ( -8.231 1.325 -3.687) 9.116 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -1.282 -1.383 -0.637) 1.990 1.328 ( 4.104 1.984 -0.443) 4.580 1.527 ( 1.472 1.535 0.884) 2.303 2.254 ( 0.376 -2.600 1.477) 3.014 2.940 ( 16.444 6.171 0.167) 17.564 3.892 ( -5.324 4.978 -0.882) 7.342 5.928 ( -0.651 5.451 -6.371) 8.410 6.234 ( 3.675 0.046 -4.797) 6.043 6.326 ( -3.937 -0.941 5.777) 7.054 6.818 ( 11.844 -0.877 -2.315) 12.100 6.933 ( 0.496 0.158 5.429) 5.454 8.014 ( -8.957 1.677 -2.897) 9.562 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -0.663 -0.215 -0.103) 0.704 1.408 ( 3.114 2.119 -0.480) 3.797 1.533 ( -1.048 -1.587 0.657) 2.012 2.228 ( -0.834 -2.319 0.086) 2.466 3.282 ( 15.719 6.347 0.296) 16.955 3.783 ( -9.149 -1.112 -0.537) 9.232 5.926 ( -2.197 2.396 -2.346) 4.009 6.253 ( -0.931 -4.880 -1.942) 5.334 6.312 ( 1.840 5.739 3.200) 6.824 6.938 ( -0.425 -1.762 1.603) 2.420 7.010 ( 8.868 0.872 -1.081) 8.976 7.904 ( -4.680 2.292 -0.644) 5.251 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.288 0.308 0.001) 0.422 1.471 ( -3.109 -3.449 0.023) 4.644 1.473 ( 2.100 2.289 -0.024) 3.106 2.189 ( -1.321 -1.391 0.001) 1.918 3.567 ( -8.987 -9.083 0.016) 12.778 3.579 ( 8.849 8.958 -0.015) 12.591 5.917 ( -0.275 1.585 0.990) 1.888 6.158 ( -2.251 -6.493 -2.743) 7.399 6.442 ( 3.761 6.997 2.670) 8.380 6.872 ( -3.035 -6.177 -1.536) 7.051 7.101 ( 0.292 2.504 0.629) 2.599 7.910 ( 2.272 2.377 -0.011) 3.288 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 1.233 0.251 -0.361) 1.309 1.374 ( -3.977 -3.348 0.121) 5.200 1.525 ( 1.005 2.499 0.611) 2.762 2.166 ( -0.197 -0.469 1.214) 1.316 3.281 ( -13.696 -7.899 0.399) 15.816 3.777 ( 5.852 4.187 -0.447) 7.210 5.951 ( -0.255 0.969 5.426) 5.518 6.049 ( 0.531 -6.424 -8.175) 10.410 6.569 ( 2.066 5.944 4.059) 7.488 6.712 ( -5.090 -9.076 -3.734) 11.055 7.102 ( -2.866 2.407 2.648) 4.584 7.990 ( 4.018 1.870 -2.037) 4.878 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.000 1.078 -0.412) 1.154 1.138 ( 0.000 -4.292 -2.822) 5.137 1.407 ( -0.000 4.026 -3.108) 5.086 2.270 ( 0.000 -4.772 2.967) 5.619 2.323 ( -0.000 6.657 -0.545) 6.679 3.897 ( -0.000 14.152 -1.349) 14.216 5.805 ( -0.000 1.599 -2.743) 3.175 5.997 ( 0.000 1.143 -15.178) 15.221 6.541 ( -0.000 3.793 1.595) 4.114 6.642 ( 0.000 0.008 -2.974) 2.974 6.868 ( 0.000 -6.719 9.874) 11.944 8.319 ( -0.000 1.592 -3.035) 3.427 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.553 -2.138 -1.522) 2.682 1.172 ( 3.722 0.763 -0.341) 3.815 1.456 ( 1.810 3.424 -0.229) 3.880 2.232 ( 0.242 -3.674 2.683) 4.555 2.460 ( 9.017 4.010 0.073) 9.868 4.000 ( -1.210 9.272 -1.591) 9.485 5.869 ( 4.725 3.747 -3.312) 6.880 6.007 ( 4.105 2.343 -10.135) 11.182 6.501 ( -5.665 -2.021 0.602) 6.044 6.638 ( 1.334 0.433 -3.452) 3.726 6.877 ( 1.912 -2.175 9.107) 9.556 8.283 ( -4.833 1.629 -3.051) 5.943 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.884 -0.345 -0.526) 1.085 1.256 ( 5.083 0.641 -0.683) 5.169 1.518 ( 1.708 1.527 1.532) 2.756 2.217 ( 0.959 -3.101 1.124) 3.435 2.703 ( 15.145 2.736 0.689) 15.405 4.019 ( -3.945 4.048 -1.562) 5.865 5.968 ( 1.374 7.543 -7.243) 10.547 6.122 ( 7.721 0.706 -2.896) 8.277 6.383 ( -3.438 -4.067 3.132) 6.178 6.673 ( 3.779 1.168 -2.651) 4.762 6.915 ( 1.709 -1.945 5.746) 6.302 8.179 ( -8.053 2.099 -2.296) 8.633 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.118 0.818 0.112) 1.390 1.343 ( 4.869 -0.105 -1.107) 4.994 1.538 ( -0.330 -0.780 1.118) 1.403 2.204 ( 0.513 -2.289 -0.863) 2.500 3.009 ( 17.874 0.171 0.731) 17.889 3.936 ( -7.490 0.306 -1.195) 7.591 6.000 ( -3.206 5.233 -5.788) 8.436 6.195 ( 2.087 -1.007 -0.348) 2.343 6.356 ( 0.645 0.306 3.831) 3.897 6.809 ( 11.608 0.620 -2.274) 11.845 6.919 ( 0.152 -3.629 2.832) 4.605 8.057 ( -8.310 3.140 -0.010) 8.883 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.943 1.260 0.406) 1.625 1.402 ( 3.347 -2.816 -0.836) 4.453 1.511 ( -1.391 -0.162 -0.201) 1.415 2.184 ( -0.198 -1.319 -1.757) 2.206 3.271 ( 14.817 -7.357 -0.172) 16.544 3.795 ( -8.442 2.291 -0.044) 8.748 5.961 ( -2.795 2.673 -4.281) 5.769 6.159 ( -3.748 -4.461 4.920) 7.626 6.441 ( 4.385 5.738 -0.239) 7.225 6.855 ( -2.359 -7.020 1.445) 7.545 7.004 ( 9.951 -0.018 -3.099) 10.423 7.980 ( -4.844 4.255 2.426) 6.889 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 -0.258 -0.739) 0.783 1.146 ( -0.000 0.680 0.421) 0.800 1.474 ( -0.000 3.024 1.905) 3.574 2.197 ( 0.000 -3.853 2.244) 4.459 2.418 ( -0.000 2.828 0.806) 2.940 4.077 ( -0.000 5.105 -1.985) 5.477 5.838 ( -0.000 2.336 0.879) 2.496 5.997 ( -0.000 6.556 -9.702) 11.709 6.553 ( 0.000 -3.978 -5.764) 7.003 6.581 ( 0.000 0.087 -1.858) 1.860 6.879 ( -0.000 -0.821 10.373) 10.405 8.329 ( -0.000 1.256 -3.111) 3.355 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.571 1.577 0.089) 1.680 1.184 ( 3.387 0.333 0.205) 3.410 1.517 ( 0.846 1.697 3.435) 3.924 2.178 ( 0.598 -2.238 0.910) 2.489 2.515 ( 8.784 0.770 1.421) 8.932 4.084 ( -1.731 0.358 -2.047) 2.705 5.937 ( 7.147 3.313 0.851) 7.924 6.059 ( 1.425 8.104 -5.975) 10.169 6.422 ( -5.760 -3.779 -2.704) 7.401 6.618 ( 3.414 -1.117 -4.467) 5.732 6.901 ( 0.169 -1.347 8.626) 8.732 8.294 ( -4.180 1.253 -2.766) 5.166 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -1.243 2.271 0.406) 2.620 1.252 ( 4.495 -0.710 -0.711) 4.606 1.540 ( -0.204 -0.467 2.572) 2.622 2.173 ( 0.537 -0.946 -0.888) 1.404 2.723 ( 14.634 -1.756 1.480) 14.813 4.013 ( -3.846 -3.529 -1.823) 5.530 6.074 ( 1.287 5.326 -6.524) 8.519 6.157 ( 3.136 3.939 1.808) 5.350 6.324 ( 0.186 -1.772 1.279) 2.193 6.659 ( 5.389 -1.421 -3.923) 6.816 6.904 ( -0.546 -2.170 5.920) 6.329 8.209 ( -6.434 1.860 -1.062) 6.781 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -1.635 2.295 0.572) 2.875 1.305 ( 3.884 -3.022 -1.315) 5.094 1.523 ( -0.934 -1.072 0.763) 1.613 2.169 ( 0.112 0.034 -2.186) 2.189 2.944 ( 14.770 -7.218 0.309) 16.442 3.895 ( -4.268 -3.830 -0.707) 5.778 6.034 ( -4.891 2.179 -6.790) 8.647 6.201 ( -1.230 -2.551 8.010) 8.496 6.405 ( 4.803 5.727 -2.247) 7.805 6.754 ( 7.538 -5.444 -1.420) 9.406 6.891 ( 0.923 0.138 2.119) 2.315 8.123 ( -6.105 2.828 1.652) 6.928 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.000 3.319 0.425) 3.346 1.158 ( -0.000 0.045 0.882) 0.884 1.541 ( -0.000 1.298 5.203) 5.362 2.166 ( -0.000 0.318 0.634) 0.709 2.438 ( 0.000 -1.723 1.663) 2.395 4.073 ( 0.000 -4.288 -2.160) 4.802 5.904 ( -0.000 2.561 4.146) 4.874 6.130 ( -0.000 11.318 -6.365) 12.985 6.458 ( 0.000 -2.177 -4.393) 4.902 6.520 ( 0.000 -3.959 -4.925) 6.320 6.919 ( -0.000 -1.213 9.163) 9.243 8.329 ( 0.000 0.745 -3.219) 3.304 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -1.124 2.948 0.365) 3.176 1.185 ( 2.464 -0.383 0.116) 2.496 1.556 ( -0.837 -0.347 4.271) 4.366 2.175 ( -0.667 1.963 0.052) 2.074 2.497 ( 9.033 -3.697 1.643) 9.897 3.990 ( -1.307 -8.674 -2.050) 9.009 6.000 ( 6.230 1.384 4.011) 7.537 6.218 ( -1.057 9.676 -10.194) 14.095 6.360 ( -3.888 0.027 1.383) 4.127 6.536 ( 4.793 -3.639 -3.797) 7.115 6.924 ( -0.964 -1.275 7.751) 7.914 8.299 ( -3.149 0.933 -2.522) 4.141 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -1.620 2.496 0.125) 2.979 1.215 ( 2.712 -2.679 -0.939) 3.926 1.534 ( -1.417 -1.409 2.078) 2.883 2.181 ( -0.905 2.245 -0.780) 2.543 2.641 ( 12.304 -7.239 0.403) 14.281 3.864 ( -0.943 -10.502 -1.153) 10.608 6.098 ( 1.170 -0.123 -0.320) 1.219 6.168 ( -1.802 -2.696 -3.486) 4.761 6.422 ( 2.563 8.977 -2.869) 9.767 6.590 ( 5.599 -2.105 2.085) 6.335 6.912 ( -1.493 -0.456 4.951) 5.191 8.238 ( -4.555 1.591 -0.474) 4.848 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 -0.878 0.701) 1.124 1.178 ( -0.000 2.578 -0.804) 2.700 1.572 ( -0.000 -1.195 3.669) 3.859 2.230 ( -0.000 5.404 1.292) 5.556 2.366 ( 0.000 -6.585 1.313) 6.714 3.881 ( 0.000 -13.877 -2.054) 14.028 5.971 ( -0.000 0.548 5.026) 5.056 6.277 ( -0.000 6.834 -17.273) 18.575 6.387 ( 0.000 -5.261 -5.721) 7.773 6.479 ( -0.000 5.667 10.458) 11.895 6.947 ( -0.000 -0.691 7.176) 7.209 8.324 ( 0.000 0.835 -3.102) 3.212 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 1.141 -1.842 0.085) 2.168 1.182 ( -1.111 0.867 -1.566) 2.107 1.550 ( -1.358 -2.110 1.571) 2.960 2.237 ( -2.363 1.661 1.319) 3.176 2.400 ( 7.954 -5.166 0.289) 9.489 3.723 ( 0.757 -17.172 -1.426) 17.248 6.008 ( 3.582 -3.979 2.442) 5.884 6.220 ( -4.320 1.218 -10.401) 11.328 6.374 ( 4.165 -0.436 -8.506) 9.481 6.603 ( 1.180 8.382 11.989) 14.676 6.953 ( -1.384 0.954 4.682) 4.974 8.306 ( -2.228 1.287 -2.233) 3.407 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.000 -2.234 -0.151) 2.239 1.187 ( 0.000 -0.821 -2.508) 2.639 1.538 ( 0.000 -3.111 -0.437) 3.142 2.194 ( 0.000 -11.063 -0.376) 11.070 2.365 ( -0.000 6.231 2.083) 6.569 3.512 ( 0.000 -22.315 -1.223) 22.349 5.932 ( 0.000 -6.601 -0.702) 6.639 6.240 ( 0.000 1.595 -14.860) 14.945 6.310 ( -0.000 0.283 0.085) 0.295 6.711 ( -0.000 6.664 12.346) 14.030 7.007 ( -0.000 5.261 3.013) 6.063 8.330 ( -0.000 1.566 -2.723) 3.141 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.000 -0.000 17.736) 17.736 0.538 ( -0.000 -0.000 17.736) 17.736 0.966 ( -0.000 -0.000 34.647) 34.647 1.328 ( 0.000 0.000 -1.724) 1.724 1.328 ( 0.000 0.000 -1.724) 1.724 3.053 ( 0.000 0.000 -12.181) 12.181 5.372 ( -0.000 -0.000 4.017) 4.017 5.372 ( -0.000 -0.000 4.017) 4.017 6.551 ( 0.000 0.000 -2.796) 2.796 6.551 ( 0.000 0.000 -2.796) 2.796 8.215 ( -0.000 -0.000 0.936) 0.936 8.484 ( 0.000 0.000 -0.556) 0.556 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.989 0.571 16.452) 16.492 0.633 ( -1.294 -0.747 20.271) 20.326 1.214 ( 8.271 4.775 14.478) 17.345 1.341 ( 2.275 1.313 -1.648) 3.101 1.532 ( 17.409 10.051 5.443) 20.826 2.702 ( -17.695 -10.216 -0.027) 20.432 5.382 ( 0.832 0.481 3.629) 3.754 5.792 ( 23.742 13.707 -10.602) 29.393 6.477 ( -4.398 -2.539 -3.904) 6.405 6.556 ( -0.095 -0.055 -2.514) 2.516 8.189 ( -4.444 -2.566 2.847) 5.868 8.383 ( -5.379 -3.106 -0.014) 6.211 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 7.758 4.479 9.483) 13.045 0.676 ( 0.405 0.234 15.331) 15.338 1.372 ( 3.839 2.216 3.681) 5.761 1.427 ( 5.779 3.336 -0.707) 6.710 2.020 ( 21.290 12.292 3.526) 24.835 2.426 ( -5.966 -3.444 0.017) 6.889 5.429 ( 2.367 1.367 2.760) 3.885 6.156 ( 6.797 3.925 -6.131) 9.959 6.371 ( 1.079 0.623 -8.910) 8.996 6.535 ( -0.946 -0.546 -2.193) 2.450 7.999 ( -11.954 -6.901 5.908) 15.014 8.316 ( -1.268 -0.732 -2.963) 3.305 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 3.082 1.780 6.198) 7.148 0.858 ( 7.278 4.202 3.718) 9.190 1.406 ( -1.288 -0.743 0.396) 1.539 1.606 ( 10.000 5.773 0.419) 11.554 2.289 ( 3.435 1.983 -6.571) 7.676 2.607 ( 19.848 11.459 4.490) 23.354 5.504 ( 3.686 2.128 1.475) 4.504 6.031 ( -9.853 -5.689 -3.147) 11.805 6.506 ( -0.998 -0.576 -1.508) 1.898 6.547 ( 10.939 6.315 -8.947) 15.479 7.722 ( -13.576 -7.838 4.472) 16.302 8.273 ( -1.922 -1.110 -2.746) 3.531 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 7.017 4.051 0.928) 8.155 1.000 ( 4.753 2.744 0.670) 5.529 1.341 ( -3.373 -1.948 -2.221) 4.484 1.866 ( 12.148 7.013 0.404) 14.033 2.355 ( 3.599 2.078 -3.360) 5.344 3.082 ( 20.049 11.575 1.357) 23.190 5.602 ( 4.680 2.702 -0.155) 5.406 5.793 ( -9.592 -5.538 -2.738) 11.410 6.486 ( -0.468 -0.270 -0.132) 0.556 6.738 ( 7.722 4.458 -7.453) 11.621 7.421 ( -13.574 -7.837 2.784) 15.919 8.219 ( -2.031 -1.172 -1.390) 2.726 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.690 3.285 0.626) 6.599 1.087 ( 3.021 1.744 -0.484) 3.522 1.288 ( 1.221 0.705 -3.616) 3.881 2.133 ( 10.932 6.311 -0.535) 12.634 2.402 ( 0.607 0.350 -1.350) 1.521 3.504 ( 16.505 9.529 0.996) 19.085 5.612 ( -5.201 -3.003 -0.391) 6.019 5.712 ( 5.178 2.989 -2.001) 6.305 6.484 ( -0.087 -0.050 1.934) 1.937 6.825 ( 0.793 0.458 -8.203) 8.254 7.158 ( -8.772 -5.064 2.463) 10.424 8.183 ( -0.916 -0.529 0.686) 1.261 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.669 -0.386 -0.270) 0.818 1.139 ( 1.849 1.067 -0.850) 2.298 1.416 ( 8.815 5.090 -3.638) 10.810 2.343 ( 7.540 4.353 -1.445) 8.825 2.362 ( -3.801 -2.195 -0.891) 4.479 3.824 ( 11.046 6.377 1.736) 12.872 5.575 ( 1.646 0.950 3.934) 4.369 5.821 ( 5.128 2.961 -3.698) 6.981 6.487 ( -0.671 -0.387 4.161) 4.232 6.706 ( -7.419 -4.283 -5.114) 9.977 7.075 ( -0.288 -0.166 -1.341) 1.381 8.183 ( 0.414 0.239 2.954) 2.992 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.769 0.444 -0.131) 0.897 1.167 ( 0.863 0.498 -0.908) 1.349 1.583 ( 6.225 3.594 -5.283) 8.921 2.249 ( -4.919 -2.840 -0.874) 5.747 2.460 ( 3.095 1.787 -1.877) 4.036 4.006 ( 4.273 2.467 2.524) 5.542 5.700 ( 7.011 4.048 9.039) 12.134 5.919 ( 4.500 2.598 -4.849) 7.107 6.469 ( -2.345 -1.354 5.843) 6.440 6.545 ( -4.677 -2.701 -3.308) 6.333 7.070 ( 0.046 0.027 -3.900) 3.900 8.213 ( 1.015 0.586 4.541) 4.690 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 2.459 1.420 0.680) 2.920 1.174 ( -0.051 -0.029 -0.781) 0.783 1.641 ( 0.216 0.125 -5.036) 5.042 2.185 ( 0.321 0.185 -1.402) 1.450 2.470 ( -1.669 -0.964 -1.723) 2.585 4.025 ( -3.477 -2.008 2.818) 4.906 5.914 ( 7.930 4.579 14.183) 16.882 5.991 ( 2.998 1.731 -5.161) 6.215 6.414 ( -4.064 -2.346 6.407) 7.942 6.494 ( 1.449 0.837 -5.362) 5.617 7.047 ( -0.957 -0.552 -4.949) 5.071 8.251 ( 1.062 0.613 4.996) 5.144 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.945 -0.546 -0.461) 1.185 1.167 ( 1.819 1.050 1.470) 2.564 1.596 ( -2.417 -1.396 -1.544) 3.190 2.247 ( 4.955 2.861 -2.503) 6.245 2.376 ( -6.133 -3.541 -0.962) 7.147 3.861 ( -11.709 -6.760 2.341) 13.721 6.010 ( -0.588 -0.340 -3.453) 3.520 6.115 ( 5.073 2.929 18.115) 19.039 6.339 ( -3.370 -1.946 4.545) 5.983 6.574 ( 7.298 4.213 -10.348) 13.345 7.003 ( -1.218 -0.703 -5.176) 5.364 8.290 ( 1.151 0.665 4.338) 4.537 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.000 3.594 14.831) 15.260 0.811 ( -0.000 8.374 11.373) 14.123 1.251 ( -0.000 6.192 17.138) 18.222 1.373 ( -0.000 5.197 -1.413) 5.386 1.480 ( -0.000 15.458 7.740) 17.288 2.706 ( 0.000 -17.928 -3.507) 18.267 5.442 ( -0.000 3.442 4.167) 5.404 5.714 ( -0.000 23.227 -8.007) 24.568 6.487 ( 0.000 -3.050 -3.117) 4.361 6.538 ( 0.000 -0.592 -3.793) 3.839 8.189 ( 0.000 -5.759 2.711) 6.365 8.384 ( 0.000 -6.046 -0.411) 6.060 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 2.175 9.551 8.129) 12.730 0.855 ( -5.666 7.426 12.286) 15.434 1.351 ( 1.635 3.659 6.289) 7.457 1.433 ( 1.159 8.453 -0.752) 8.565 1.854 ( 15.899 17.297 7.823) 24.762 2.481 ( -6.135 -8.513 -2.840) 10.871 5.469 ( -1.569 5.071 3.523) 6.371 6.023 ( 11.912 13.252 -7.851) 19.472 6.392 ( -4.969 -3.101 -4.462) 7.364 6.526 ( 0.413 -1.039 -4.100) 4.250 8.067 ( -5.254 -12.454 5.322) 14.527 8.325 ( -1.431 -0.985 -2.794) 3.290 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.189 7.644 4.380) 8.812 0.891 ( -1.601 8.425 8.198) 11.864 1.405 ( 0.356 -0.271 2.138) 2.185 1.573 ( 4.330 10.895 0.527) 11.736 2.243 ( 5.557 8.273 -4.885) 11.099 2.453 ( 11.339 8.524 3.580) 14.631 5.520 ( 0.131 5.834 2.723) 6.439 6.130 ( -6.986 -3.215 -1.847) 7.909 6.393 ( 9.467 5.961 -8.057) 13.787 6.507 ( 0.033 -0.522 -4.301) 4.333 7.828 ( -9.017 -13.093 4.702) 16.578 8.284 ( -1.753 -0.920 -3.115) 3.691 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.252 7.822 3.811) 8.705 0.995 ( 1.876 6.846 1.507) 7.257 1.365 ( -2.708 -2.811 -1.171) 4.075 1.795 ( 7.655 12.217 1.058) 14.456 2.319 ( 2.632 4.274 -3.415) 6.071 2.885 ( 18.532 14.847 1.308) 23.782 5.599 ( 1.193 6.098 1.482) 6.388 5.920 ( -10.658 -3.465 -1.471) 11.304 6.483 ( 0.255 -0.532 -2.125) 2.205 6.610 ( 9.559 4.738 -7.303) 12.929 7.545 ( -10.831 -11.757 2.858) 16.239 8.227 ( -1.901 -2.256 -2.203) 3.682 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 3.554 7.294 3.913) 9.008 1.084 ( 1.460 5.169 -0.533) 5.398 1.288 ( -1.816 -1.259 -2.959) 3.693 2.055 ( 8.402 11.193 0.108) 13.996 2.394 ( 1.672 3.387 -0.919) 3.888 3.329 ( 16.824 12.688 0.421) 21.076 5.653 ( -1.990 0.291 -0.390) 2.049 5.762 ( -4.909 5.550 0.822) 7.455 6.484 ( 0.551 0.051 -0.595) 0.813 6.754 ( 5.375 1.653 -7.030) 9.002 7.266 ( -10.039 -8.588 1.772) 13.329 8.173 ( -0.441 -3.132 -0.530) 3.207 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.940 0.580 1.539) 1.894 1.134 ( 0.796 2.967 -0.148) 3.076 1.338 ( 5.711 6.389 -2.472) 8.919 2.274 ( 5.891 6.221 -0.951) 8.620 2.422 ( -1.879 4.302 -0.552) 4.727 3.694 ( 13.059 8.613 1.228) 15.691 5.599 ( -1.697 1.273 3.149) 3.797 5.826 ( 0.567 8.832 -0.801) 8.887 6.493 ( 0.163 -0.559 1.818) 1.909 6.749 ( -3.048 -2.868 -6.197) 7.478 7.093 ( -3.539 -2.250 -0.232) 4.200 8.156 ( 1.873 -3.088 1.690) 3.988 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -0.416 -0.456 0.053) 0.619 1.172 ( 0.121 2.773 -0.331) 2.795 1.501 ( 6.098 5.036 -3.210) 8.535 2.290 ( -3.382 -3.207 -0.912) 4.749 2.488 ( 0.088 10.301 -1.757) 10.450 3.939 ( 7.758 3.698 2.291) 8.894 5.670 ( 4.315 4.894 7.267) 9.766 5.921 ( 0.910 8.588 -2.260) 8.927 6.466 ( -1.857 -4.355 3.282) 5.760 6.633 ( -4.928 0.019 -2.615) 5.579 7.055 ( -0.299 -0.430 -3.722) 3.758 8.182 ( 3.166 -2.419 3.567) 5.347 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.059 0.490 0.099) 2.118 1.190 ( -0.829 2.263 -0.429) 2.448 1.597 ( 2.823 0.812 -4.861) 5.680 2.194 ( -2.826 -1.961 -0.736) 3.518 2.548 ( -3.545 8.153 -1.997) 9.112 4.038 ( 1.185 -1.119 2.795) 3.235 5.859 ( 7.631 5.440 10.015) 13.716 6.010 ( 0.488 8.803 -2.828) 9.259 6.388 ( -1.030 -5.940 2.570) 6.553 6.572 ( -4.432 3.005 -0.043) 5.355 7.029 ( -0.260 -1.376 -5.349) 5.529 8.228 ( 2.994 -1.772 4.281) 5.516 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 2.995 0.571 0.383) 3.073 1.186 ( -1.641 1.428 -0.130) 2.179 1.592 ( -0.321 -1.979 -3.593) 4.114 2.180 ( 2.473 -0.002 -1.020) 2.675 2.511 ( -7.984 5.696 -1.527) 9.926 3.969 ( -6.666 -5.171 2.451) 8.785 6.025 ( 1.413 4.346 0.309) 4.580 6.114 ( 3.436 5.210 9.827) 11.641 6.355 ( 1.445 -2.973 3.096) 4.529 6.538 ( -1.938 3.907 -3.936) 5.875 6.987 ( -0.589 -2.029 -5.994) 6.355 8.271 ( 2.422 -1.422 3.753) 4.687 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.000 12.512 4.193) 13.196 0.978 ( -0.000 4.002 4.258) 5.843 1.409 ( -0.000 3.815 5.495) 6.690 1.521 ( -0.000 10.107 -0.617) 10.126 1.938 ( -0.000 23.185 10.877) 25.610 2.436 ( 0.000 -6.964 -5.750) 9.031 5.550 ( -0.000 5.219 2.606) 5.834 6.041 ( -0.000 14.357 -4.838) 15.150 6.404 ( 0.000 -3.439 -2.010) 3.984 6.481 ( 0.000 -1.829 -7.759) 7.972 7.983 ( 0.000 -15.976 5.521) 16.903 8.321 ( 0.000 -0.345 -3.284) 3.303 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.640 10.919 0.360) 10.943 1.009 ( -1.237 4.011 3.313) 5.348 1.429 ( -1.734 0.549 3.149) 3.637 1.643 ( 1.963 12.233 0.014) 12.389 2.269 ( 4.278 17.433 1.102) 17.984 2.390 ( 4.832 5.078 -1.213) 7.114 5.602 ( -0.754 6.352 1.776) 6.639 6.180 ( 0.319 4.144 -0.965) 4.267 6.334 ( -0.129 1.792 -4.640) 4.976 6.462 ( 1.843 -1.899 -7.467) 7.922 7.802 ( -3.843 -16.700 5.105) 17.881 8.296 ( -1.505 -0.355 -3.520) 3.845 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -1.116 8.371 -0.374) 8.453 1.057 ( 0.058 6.046 1.298) 6.184 1.381 ( -2.882 -2.778 -0.165) 4.006 1.828 ( 4.645 13.350 0.514) 14.144 2.336 ( 0.584 5.618 -2.428) 6.149 2.768 ( 14.436 19.497 1.254) 24.293 5.667 ( -0.113 6.930 1.254) 7.044 6.062 ( -9.065 -1.862 -1.044) 9.313 6.445 ( 2.405 -0.981 -3.774) 4.582 6.486 ( 7.681 5.338 -6.125) 11.181 7.567 ( -6.434 -15.482 3.624) 17.153 8.238 ( -2.860 -1.721 -3.210) 4.631 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 1.114 8.095 3.400) 8.851 1.124 ( 0.461 5.900 -0.747) 5.965 1.297 ( -2.407 -2.310 -2.701) 4.293 2.051 ( 6.196 12.036 -0.190) 13.538 2.418 ( 1.563 6.691 1.079) 6.955 3.198 ( 14.601 16.312 -0.473) 21.898 5.712 ( -2.259 3.531 -0.473) 4.219 5.925 ( -6.735 4.960 1.669) 8.529 6.451 ( 2.076 -0.873 -4.826) 5.326 6.656 ( 6.849 3.826 -3.415) 8.557 7.317 ( -7.137 -12.502 2.027) 14.538 8.155 ( -2.466 -3.602 -2.395) 4.979 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -2.679 -0.205 2.067) 3.390 1.164 ( 0.496 4.496 1.780) 4.861 1.319 ( 3.909 7.147 -2.638) 8.563 2.244 ( 4.826 6.375 -0.733) 8.029 2.514 ( -0.188 9.802 1.588) 9.932 3.567 ( 12.784 10.863 -0.021) 16.776 5.671 ( -3.511 2.514 0.909) 4.412 5.944 ( -2.342 9.793 2.519) 10.379 6.471 ( 2.187 -0.570 -3.003) 3.758 6.738 ( 0.259 0.678 -2.906) 2.995 7.125 ( -3.921 -6.080 0.046) 7.235 8.087 ( 0.650 -5.060 -0.751) 5.157 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.788 -1.509 0.410) 2.376 1.214 ( -0.484 4.510 1.088) 4.665 1.463 ( 4.316 6.199 -1.086) 7.631 2.300 ( -0.883 -1.277 -0.240) 1.571 2.626 ( -1.324 14.799 -0.558) 14.868 3.836 ( 9.462 4.528 1.312) 10.572 5.696 ( 1.018 5.677 4.488) 7.308 6.014 ( -1.107 8.609 1.682) 8.842 6.475 ( -0.745 -1.616 -0.213) 1.792 6.684 ( -3.527 0.028 -1.898) 4.005 7.057 ( -1.256 -0.602 -3.145) 3.440 8.082 ( 4.473 -5.137 1.369) 6.947 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.635 -0.417 0.109) 0.768 1.243 ( -1.497 4.109 0.676) 4.425 1.555 ( 2.148 1.951 -2.391) 3.760 2.229 ( -3.712 -2.467 -0.105) 4.458 2.725 ( -4.376 14.516 -1.664) 15.252 3.982 ( 4.923 -1.056 2.311) 5.540 5.832 ( 5.272 6.270 6.981) 10.763 6.087 ( 0.436 7.106 0.776) 7.161 6.406 ( -4.567 -1.892 0.804) 5.008 6.653 ( -2.182 3.021 -0.449) 3.754 7.014 ( -1.618 -1.062 -4.929) 5.296 8.134 ( 5.735 -4.168 2.484) 7.512 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.718 0.170 -0.131) 2.726 1.246 ( -2.627 3.123 0.632) 4.129 1.565 ( 0.069 -1.370 -2.859) 3.171 2.167 ( -1.162 -0.749 0.501) 1.471 2.737 ( -8.860 11.432 -1.598) 14.552 3.994 ( -1.050 -4.699 2.238) 5.309 6.005 ( 5.957 2.568 8.324) 10.553 6.177 ( 0.895 7.716 -2.345) 8.114 6.324 ( -2.047 -0.893 1.531) 2.708 6.636 ( -4.429 4.159 0.821) 6.131 6.956 ( -0.951 -2.462 -5.633) 6.221 8.195 ( 4.765 -3.403 2.024) 6.195 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.000 10.187 -1.377) 10.279 1.045 ( -0.000 2.025 0.185) 2.033 1.455 ( 0.000 -1.359 0.957) 1.662 1.736 ( -0.000 11.769 -1.378) 11.849 2.338 ( 0.000 1.185 -6.730) 6.833 2.495 ( -0.000 26.644 5.948) 27.299 5.664 ( -0.000 5.350 -0.876) 5.421 6.231 ( -0.000 4.918 -0.405) 4.935 6.347 ( 0.000 -1.527 0.850) 1.748 6.386 ( 0.000 0.355 -11.347) 11.352 7.678 ( 0.000 -17.730 5.303) 18.506 8.299 ( 0.000 0.050 -3.649) 3.649 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -0.461 3.840 -1.362) 4.101 1.109 ( 0.346 7.290 -2.124) 7.601 1.402 ( -2.815 -3.457 -1.631) 4.747 1.880 ( 3.528 11.911 -1.242) 12.485 2.354 ( 1.812 3.148 -3.601) 5.115 2.825 ( 5.698 25.776 2.644) 26.530 5.719 ( 1.039 5.049 -1.921) 5.501 6.167 ( -5.528 -1.939 -5.127) 7.785 6.373 ( 2.377 -1.299 -2.957) 4.010 6.433 ( 3.924 6.791 -1.524) 7.990 7.495 ( -2.893 -17.071 4.669) 17.933 8.267 ( -2.539 -0.381 -3.625) 4.442 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 2.043 4.570 0.249) 5.012 1.175 ( 0.094 6.333 -1.542) 6.519 1.309 ( -2.656 -2.647 -3.431) 5.083 2.066 ( 4.978 10.621 -0.953) 11.769 2.442 ( 4.045 5.183 0.618) 6.604 3.183 ( 8.091 21.352 0.016) 22.834 5.770 ( -0.323 3.510 -2.634) 4.400 6.066 ( -4.012 2.972 -2.414) 5.546 6.380 ( 1.865 -1.204 -5.189) 5.644 6.586 ( 6.145 5.583 0.635) 8.327 7.284 ( -4.411 -14.955 3.579) 15.998 8.182 ( -4.716 -1.705 -3.590) 6.167 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -2.021 -2.385 -0.101) 3.128 1.203 ( 1.100 3.872 2.675) 4.833 1.324 ( 3.130 7.770 -3.460) 9.064 2.228 ( 3.973 5.989 -0.236) 7.191 2.590 ( 4.431 9.276 2.009) 10.474 3.502 ( 8.342 14.476 -0.702) 16.722 5.755 ( -2.790 2.983 -2.663) 4.876 6.081 ( -1.797 7.583 2.188) 8.095 6.391 ( 3.115 -1.602 -5.801) 6.776 6.736 ( 4.106 5.084 0.960) 6.605 7.097 ( -2.783 -10.588 1.904) 11.112 8.065 ( -4.234 -3.525 -3.096) 6.320 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -2.189 -2.612 -0.007) 3.408 1.267 ( 0.465 4.418 1.310) 4.632 1.457 ( 3.603 6.276 -0.348) 7.245 2.298 ( 0.488 0.175 0.560) 0.763 2.777 ( 2.527 14.852 0.770) 15.085 3.737 ( 7.373 6.039 -0.052) 9.531 5.760 ( -0.606 5.473 0.332) 5.516 6.123 ( -2.415 5.683 4.001) 7.358 6.416 ( 3.682 -2.355 -5.349) 6.907 6.788 ( -4.350 4.762 3.237) 7.216 7.031 ( 2.324 -2.703 -2.475) 4.340 7.977 ( 0.432 -5.131 -1.392) 5.334 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.509 -1.303 0.080) 1.401 1.313 ( -0.825 4.606 1.130) 4.814 1.542 ( 1.462 2.095 -0.646) 2.636 2.264 ( -2.779 -2.169 0.481) 3.558 2.946 ( -2.220 17.456 -0.504) 17.604 3.873 ( 6.124 -1.761 1.082) 6.463 5.840 ( 2.597 5.276 3.100) 6.647 6.145 ( -1.153 3.479 4.499) 5.803 6.420 ( 1.231 -2.962 -4.303) 5.366 6.769 ( -5.125 8.020 3.231) 10.051 7.026 ( -1.368 -0.218 -4.756) 4.953 7.982 ( 6.055 -5.211 0.419) 7.999 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 1.465 -0.377 -0.137) 1.519 1.332 ( -2.555 4.106 1.248) 4.995 1.549 ( -0.305 -1.251 -1.268) 1.807 2.195 ( -2.705 -1.325 1.070) 3.197 3.017 ( -8.579 15.230 -0.988) 17.508 3.923 ( 3.860 -5.878 1.537) 7.198 5.948 ( 4.618 0.769 5.396) 7.144 6.194 ( 1.429 3.798 0.531) 4.092 6.380 ( -1.807 -0.766 -1.898) 2.731 6.787 ( -5.012 9.878 2.538) 11.364 6.952 ( -3.362 -2.570 -4.404) 6.108 8.056 ( 7.150 -4.338 0.154) 8.365 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 1.625 -1.206) 2.023 1.174 ( -0.000 7.268 -3.679) 8.146 1.377 ( 0.000 -4.825 -4.611) 6.674 1.955 ( -0.000 11.400 -2.040) 11.581 2.344 ( -0.000 1.733 -2.875) 3.357 3.053 ( -0.000 26.636 2.052) 26.715 5.735 ( -0.000 3.350 -4.314) 5.462 6.140 ( 0.000 -4.973 -14.473) 15.304 6.369 ( -0.000 2.401 3.633) 4.355 6.469 ( -0.000 6.803 2.025) 7.098 7.367 ( 0.000 -16.797 5.000) 17.525 8.281 ( 0.000 0.490 -3.597) 3.630 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.801 2.131 -0.983) 2.957 1.228 ( -0.117 4.728 -1.349) 4.918 1.300 ( -1.034 -2.697 -7.029) 7.599 2.091 ( 3.371 10.193 -1.392) 10.826 2.390 ( 4.586 1.237 -0.380) 4.765 3.328 ( 2.170 23.590 0.420) 23.694 5.771 ( 1.903 2.621 -4.646) 5.664 6.058 ( 1.464 -2.536 -13.884) 14.190 6.391 ( -2.034 3.136 2.616) 4.562 6.567 ( 3.015 5.290 2.947) 6.764 7.204 ( -2.065 -14.941 4.844) 15.842 8.243 ( -3.861 0.392 -3.710) 5.369 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.608 -1.191 -0.596) 1.464 1.210 ( 0.817 -0.252 0.130) 0.865 1.338 ( 2.752 7.378 -4.053) 8.857 2.227 ( 2.824 5.685 0.461) 6.365 2.534 ( 9.514 4.028 0.334) 10.337 3.575 ( 2.366 17.916 -0.493) 18.078 5.794 ( -0.167 2.548 -6.320) 6.816 6.094 ( 6.122 2.171 -7.767) 10.126 6.379 ( -3.150 2.278 1.872) 4.315 6.685 ( 5.703 2.663 1.360) 6.440 7.050 ( -2.577 -10.383 4.981) 11.800 8.138 ( -6.960 -0.303 -3.897) 7.983 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -1.858 -3.042 -0.634) 3.621 1.278 ( 2.914 2.930 0.176) 4.136 1.457 ( 3.348 5.848 -0.350) 6.748 2.291 ( 0.949 0.238 1.323) 1.646 2.783 ( 11.233 9.224 0.206) 14.536 3.742 ( 0.993 10.028 -0.594) 10.094 5.808 ( 0.223 4.563 -4.710) 6.562 6.194 ( 2.820 3.009 -2.303) 4.723 6.348 ( -1.746 -0.242 0.667) 1.885 6.827 ( 8.159 1.495 -0.796) 8.333 6.960 ( -1.470 -3.426 4.871) 6.134 7.995 ( -6.900 -1.160 -3.257) 7.718 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -1.050 -1.642 -0.166) 1.957 1.350 ( 1.712 3.504 0.205) 3.905 1.538 ( 1.278 1.839 0.207) 2.249 2.279 ( -1.219 -2.274 0.612) 2.651 3.070 ( 8.070 13.886 0.156) 16.061 3.799 ( 0.010 0.503 -0.164) 0.529 5.858 ( 1.109 4.158 -1.137) 4.451 6.230 ( -1.618 3.585 3.901) 5.540 6.326 ( 1.757 -3.482 -3.907) 5.520 6.924 ( -1.786 4.389 4.205) 6.335 6.987 ( 5.168 0.243 -2.930) 5.946 7.892 ( -1.675 -1.975 -1.245) 2.873 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.244 -0.578 -0.046) 0.629 1.403 ( -0.192 3.937 0.688) 4.001 1.538 ( -0.661 -1.982 -0.381) 2.124 2.225 ( -2.163 -2.058 0.545) 3.035 3.285 ( -2.280 16.652 -0.224) 16.809 3.778 ( 3.387 -8.171 0.488) 8.858 5.907 ( 1.959 0.541 1.769) 2.694 6.233 ( -2.792 0.366 2.214) 3.582 6.341 ( 4.067 0.846 -2.936) 5.087 6.936 ( -1.802 1.231 2.201) 3.099 7.013 ( -3.734 4.753 -2.174) 6.424 7.903 ( 5.051 -2.214 -0.435) 5.532 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.000 1.574 -0.976) 1.852 1.229 ( 0.000 -5.452 -2.213) 5.884 1.288 ( -0.000 6.179 -7.533) 9.743 2.155 ( -0.000 9.887 -1.434) 9.990 2.346 ( 0.000 -1.429 1.272) 1.913 3.538 ( -0.000 21.635 -0.476) 21.640 5.758 ( -0.000 2.162 -4.152) 4.681 5.959 ( 0.000 -2.721 -16.937) 17.154 6.464 ( -0.000 4.360 3.005) 5.296 6.600 ( -0.000 4.058 3.220) 5.180 7.095 ( 0.000 -13.358 5.492) 14.443 8.278 ( 0.000 1.342 -3.609) 3.850 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.126 0.008 -0.676) 1.313 1.171 ( 1.209 -2.989 -2.460) 4.056 1.352 ( 2.031 6.510 -3.503) 7.666 2.250 ( 0.813 5.070 0.891) 5.211 2.398 ( 7.837 0.491 0.740) 7.888 3.732 ( 0.150 17.292 -1.182) 17.333 5.786 ( 1.308 2.719 -6.032) 6.744 5.947 ( 6.407 0.251 -12.275) 13.849 6.484 ( -3.187 3.535 2.413) 5.336 6.642 ( 1.299 0.220 1.139) 1.741 6.998 ( -0.198 -8.457 6.485) 10.659 8.240 ( -4.810 1.479 -3.755) 6.278 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -1.091 -2.704 -1.158) 3.137 1.232 ( 4.515 1.503 -0.718) 4.813 1.455 ( 3.180 5.278 -0.224) 6.166 2.278 ( 0.529 -1.318 2.031) 2.478 2.621 ( 13.926 4.966 -0.056) 14.785 3.861 ( -1.572 11.431 -1.284) 11.609 5.819 ( 1.280 4.904 -8.126) 9.577 6.082 ( 9.105 1.679 -5.998) 11.031 6.441 ( -4.729 0.455 3.527) 5.917 6.674 ( 5.031 -2.343 -0.937) 5.628 6.969 ( 0.388 -2.399 6.353) 6.802 8.129 ( -8.255 1.714 -3.470) 9.117 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -1.077 -1.198 -0.389) 1.657 1.322 ( 4.259 1.720 -0.880) 4.677 1.535 ( 1.411 1.916 0.857) 2.529 2.264 ( -0.012 -3.164 0.546) 3.211 2.942 ( 16.458 6.406 0.355) 17.665 3.883 ( -5.048 4.792 -1.083) 7.044 5.876 ( 1.138 5.393 -4.980) 7.428 6.188 ( 4.257 0.191 -4.980) 6.554 6.377 ( -4.271 -0.027 5.234) 6.755 6.796 ( 11.255 -0.692 -2.692) 11.593 6.981 ( 0.408 -1.008 5.220) 5.333 7.993 ( -8.517 2.467 -1.828) 9.053 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 -3.590 -2.740) 4.516 1.126 ( -0.000 1.386 -0.039) 1.386 1.386 ( -0.000 5.955 -1.529) 6.148 2.298 ( 0.000 -4.581 3.165) 5.568 2.320 ( -0.000 7.150 0.027) 7.150 3.882 ( -0.000 13.876 -1.990) 14.018 5.787 ( -0.000 2.711 -1.238) 2.980 5.860 ( 0.000 2.901 -14.875) 15.155 6.548 ( -0.000 2.739 -0.033) 2.739 6.625 ( 0.000 -3.073 -0.550) 3.122 6.951 ( 0.000 -4.733 8.129) 9.406 8.287 ( -0.000 1.772 -3.827) 4.218 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.305 -1.549 -1.228) 2.000 1.170 ( 3.402 1.063 -0.120) 3.566 1.460 ( 1.980 5.020 1.135) 5.515 2.256 ( -0.075 -4.065 2.559) 4.804 2.464 ( 8.952 4.429 0.785) 10.018 3.983 ( -1.036 9.135 -2.217) 9.457 5.826 ( 1.095 5.878 -6.979) 9.190 5.932 ( 7.838 3.416 -5.430) 10.128 6.500 ( -4.213 -3.432 -0.721) 5.482 6.618 ( 1.813 -0.628 -1.074) 2.199 6.953 ( 0.696 -1.816 7.540) 7.787 8.252 ( -4.702 1.921 -3.755) 6.316 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.768 0.081 -0.351) 0.848 1.249 ( 4.750 0.667 -0.794) 4.862 1.535 ( 1.334 2.166 2.139) 3.323 2.225 ( 0.387 -3.947 0.712) 4.029 2.712 ( 14.994 3.153 1.283) 15.375 4.002 ( -3.688 3.939 -2.117) 5.796 5.899 ( 1.518 7.984 -7.656) 11.165 6.100 ( 7.184 2.683 -1.980) 7.921 6.404 ( -1.015 -4.619 1.253) 4.893 6.656 ( 3.952 0.420 -1.111) 4.126 6.966 ( 0.487 -2.153 5.561) 5.983 8.157 ( -7.439 2.719 -2.564) 8.325 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.000 0.564 -0.390) 0.686 1.151 ( -0.000 0.871 0.735) 1.140 1.499 ( -0.000 4.634 3.572) 5.851 2.218 ( 0.000 -4.682 2.280) 5.208 2.428 ( -0.000 3.176 1.401) 3.471 4.056 ( -0.000 5.154 -2.618) 5.780 5.853 ( -0.000 3.520 2.327) 4.219 5.899 ( -0.000 8.922 -11.570) 14.610 6.520 ( 0.000 -5.092 -1.590) 5.335 6.556 ( 0.000 -0.956 -3.505) 3.633 6.963 ( -0.000 -0.669 8.164) 8.191 8.296 ( 0.000 1.472 -4.188) 4.439 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.624 1.985 0.018) 2.081 1.186 ( 2.870 0.405 0.329) 2.917 1.554 ( 0.176 2.417 4.506) 5.116 2.186 ( 0.159 -3.040 0.961) 3.192 2.530 ( 8.812 0.974 1.857) 9.058 4.062 ( -1.652 0.453 -2.644) 3.150 5.931 ( 2.366 7.186 -3.985) 8.551 6.006 ( 5.851 6.806 -3.430) 9.608 6.404 ( -4.597 -4.004 -1.379) 6.251 6.585 ( 3.975 -2.180 -2.789) 5.322 6.973 ( -0.706 -1.134 7.109) 7.234 8.265 ( -3.664 1.616 -3.775) 5.503 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.000 3.203 -0.196) 3.209 1.166 ( -0.000 0.036 0.908) 0.909 1.592 ( -0.000 1.191 5.699) 5.822 2.174 ( -0.000 0.044 1.080) 1.080 2.454 ( 0.000 -1.746 1.850) 2.544 4.051 ( 0.000 -4.115 -2.723) 4.934 5.945 ( -0.000 3.271 4.895) 5.888 6.039 ( -0.000 11.218 -12.859) 17.064 6.454 ( -0.000 -0.703 2.753) 2.841 6.470 ( 0.000 -4.530 -6.002) 7.520 6.993 ( -0.000 -1.156 7.065) 7.159 8.294 ( 0.000 1.086 -4.424) 4.556 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.000 -0.000 15.472) 15.472 0.689 ( 0.000 -0.000 15.472) 15.472 1.275 ( -0.000 -0.000 33.501) 33.501 1.310 ( 0.000 0.000 -2.410) 2.410 1.310 ( 0.000 0.000 -2.410) 2.410 2.926 ( 0.000 0.000 -15.917) 15.917 5.410 ( -0.000 -0.000 4.415) 4.415 5.410 ( -0.000 -0.000 4.415) 4.415 6.524 ( 0.000 0.000 -3.125) 3.125 6.524 ( 0.000 0.000 -3.125) 3.125 8.224 ( -0.000 -0.000 1.012) 1.012 8.479 ( 0.000 0.000 -0.617) 0.617 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.451 -0.260 15.984) 15.992 0.800 ( -0.029 -0.017 16.352) 16.352 1.309 ( 2.739 1.581 6.257) 7.010 1.326 ( 2.650 1.530 -1.795) 3.548 1.618 ( 16.713 9.649 13.966) 23.822 2.663 ( -13.924 -8.039 -8.122) 18.013 5.418 ( 0.542 0.313 4.218) 4.264 5.724 ( 19.939 11.512 -4.883) 23.536 6.444 ( -4.893 -2.825 -3.301) 6.543 6.530 ( 0.033 0.019 -3.215) 3.215 8.211 ( -2.610 -1.507 2.254) 3.763 8.380 ( -6.454 -3.726 -0.622) 7.479 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.856 2.804 11.095) 12.431 0.820 ( -2.168 -1.252 15.547) 15.748 1.399 ( 2.678 1.546 2.381) 3.903 1.423 ( 6.341 3.661 -0.073) 7.323 2.042 ( 16.380 9.457 1.694) 18.989 2.419 ( -3.417 -1.973 -1.640) 4.273 5.458 ( 1.878 1.084 3.622) 4.221 6.104 ( 11.414 6.590 -5.189) 14.165 6.305 ( -3.307 -1.910 -5.608) 6.785 6.511 ( -0.685 -0.396 -3.196) 3.293 8.047 ( -11.990 -6.922 4.582) 14.583 8.290 ( -1.409 -0.813 -2.866) 3.296 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.331 -0.191 9.600) 9.607 0.899 ( 5.176 2.988 5.110) 7.863 1.407 ( -2.261 -1.306 -0.207) 2.619 1.615 ( 10.165 5.869 1.511) 11.835 2.235 ( 4.464 2.577 -5.149) 7.286 2.639 ( 18.476 10.667 2.439) 21.473 5.524 ( 3.006 1.736 2.708) 4.402 6.016 ( -10.086 -5.823 -0.168) 11.647 6.469 ( 11.728 6.771 -8.243) 15.854 6.487 ( -0.465 -0.269 -2.708) 2.761 7.755 ( -14.156 -8.173 2.759) 16.577 8.251 ( -1.572 -0.907 -1.928) 2.648 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 5.512 3.182 5.619) 8.490 1.010 ( 3.780 2.183 1.522) 4.623 1.324 ( -3.979 -2.297 -1.490) 4.830 1.874 ( 11.699 6.755 1.342) 13.576 2.329 ( 4.399 2.540 -2.362) 5.602 3.091 ( 19.793 11.428 0.561) 22.862 5.608 ( 3.808 2.198 1.401) 4.615 5.788 ( -9.383 -5.417 1.761) 10.977 6.479 ( 0.411 0.237 -1.392) 1.471 6.669 ( 7.696 4.443 -7.633) 11.715 7.439 ( -13.743 -7.935 1.259) 15.919 8.211 ( -1.426 -0.824 -0.248) 1.666 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 4.686 2.706 3.946) 6.697 1.084 ( 2.637 1.523 -0.031) 3.045 1.263 ( 0.976 0.564 -1.976) 2.275 2.131 ( 10.364 5.984 0.079) 11.967 2.389 ( 0.852 0.492 -1.627) 1.902 3.514 ( 16.794 9.696 1.101) 19.424 5.634 ( -4.458 -2.574 5.124) 7.263 5.702 ( 4.216 2.434 -0.309) 4.878 6.496 ( 0.998 0.576 0.713) 1.355 6.752 ( 0.987 0.570 -7.757) 7.840 7.171 ( -9.085 -5.245 0.355) 10.496 8.195 ( -0.166 -0.096 1.927) 1.936 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.234 -0.712 0.856) 1.662 1.132 ( 1.710 0.988 -0.667) 2.085 1.390 ( 7.979 4.606 -1.980) 9.423 2.331 ( 7.159 4.133 -1.120) 8.342 2.348 ( -3.724 -2.150 -2.041) 4.759 3.842 ( 11.355 6.556 2.195) 13.294 5.634 ( 2.676 1.545 8.939) 9.458 5.795 ( 4.278 2.470 -2.113) 5.372 6.519 ( 0.328 0.189 3.010) 3.034 6.662 ( -6.027 -3.480 -4.236) 8.147 7.054 ( -1.588 -0.917 -3.380) 3.846 8.215 ( 1.011 0.584 3.853) 4.026 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 0.818 0.472 0.119) 0.952 1.159 ( 0.850 0.491 -0.906) 1.336 1.537 ( 5.303 3.062 -4.783) 7.770 2.237 ( -4.606 -2.659 -1.781) 5.609 2.443 ( 2.980 1.720 -1.788) 3.878 4.031 ( 4.411 2.547 2.811) 5.817 5.794 ( 8.059 4.653 11.366) 14.690 5.880 ( 3.898 2.251 -3.695) 5.824 6.518 ( -1.658 -0.957 4.882) 5.243 6.522 ( -4.713 -2.721 -1.642) 5.684 7.026 ( -0.295 -0.170 -5.918) 5.927 8.255 ( 1.251 0.722 4.732) 4.948 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -0.000 -0.417 16.310) 16.316 0.902 ( -0.000 5.736 8.518) 10.269 1.329 ( -0.000 4.466 2.178) 4.969 1.356 ( -0.000 5.862 -2.318) 6.304 1.623 ( -0.000 13.315 21.818) 25.560 2.639 ( 0.000 -14.091 -10.895) 17.812 5.478 ( -0.000 3.082 3.591) 4.732 5.668 ( -0.000 19.487 -2.787) 19.685 6.461 ( 0.000 -2.864 -2.485) 3.792 6.502 ( 0.000 -1.536 -4.197) 4.469 8.211 ( 0.000 -3.696 2.287) 4.346 8.378 ( 0.000 -7.358 -0.831) 7.405 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 1.247 4.085 11.652) 12.410 0.947 ( -2.574 3.892 7.987) 9.250 1.394 ( 0.858 3.627 3.178) 4.898 1.426 ( 1.530 9.073 -0.594) 9.220 1.934 ( 11.006 14.800 9.855) 20.911 2.436 ( -4.184 -7.634 -6.984) 11.161 5.500 ( -1.451 4.559 3.271) 5.795 5.965 ( 11.743 14.315 -4.947) 19.165 6.359 ( -5.946 -3.673 -2.922) 7.575 6.488 ( 1.004 -1.999 -4.275) 4.825 8.111 ( -5.085 -11.884 4.548) 13.703 8.299 ( -1.673 -1.528 -2.931) 3.705 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.894 3.514 5.535) 6.617 0.962 ( -2.344 4.992 6.866) 8.807 1.421 ( -1.067 -0.708 1.324) 1.842 1.581 ( 4.787 11.227 1.377) 12.283 2.202 ( 2.910 7.158 -3.754) 8.590 2.478 ( 13.009 9.379 1.747) 16.132 5.547 ( -0.011 5.347 3.026) 6.144 6.124 ( -6.981 -3.232 0.587) 7.715 6.323 ( 9.547 7.607 -7.278) 14.212 6.469 ( 0.570 -1.661 -4.225) 4.575 7.864 ( -9.657 -13.239 3.165) 16.690 8.258 ( -1.400 -1.043 -2.395) 2.964 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 1.445 5.844 3.894) 7.169 1.018 ( 0.506 5.179 3.318) 6.171 1.357 ( -3.470 -3.259 -0.536) 4.790 1.809 ( 7.512 11.786 1.801) 14.092 2.295 ( 3.132 5.632 -1.689) 6.662 2.892 ( 18.166 14.235 0.101) 23.079 5.617 ( 0.679 5.499 2.374) 6.028 5.923 ( -10.243 -3.471 2.255) 11.048 6.457 ( 1.182 -0.925 -3.637) 3.935 6.548 ( 9.343 5.721 -6.177) 12.577 7.564 ( -11.381 -11.802 1.275) 16.445 8.212 ( -1.211 -2.438 -1.069) 2.924 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 3.736 7.560 5.582) 10.113 1.084 ( 0.928 4.258 0.778) 4.427 1.267 ( -2.235 -2.072 -1.595) 3.440 2.059 ( 7.993 10.470 0.668) 13.189 2.388 ( 1.378 4.486 -0.470) 4.716 3.332 ( 17.272 12.555 0.190) 21.353 5.663 ( -1.255 0.406 2.338) 2.685 5.785 ( -5.589 5.057 4.363) 8.709 6.472 ( 2.086 -0.199 -2.012) 2.905 6.693 ( 4.563 2.542 -6.385) 8.250 7.274 ( -10.213 -8.647 0.030) 13.382 8.175 ( 0.557 -3.348 0.832) 3.495 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -2.321 -0.670 2.180) 3.254 1.136 ( 0.391 3.585 0.577) 3.652 1.325 ( 5.788 6.441 -0.536) 8.676 2.265 ( 5.536 5.765 -0.884) 8.041 2.415 ( -2.550 4.981 -0.915) 5.670 3.706 ( 13.669 8.618 1.460) 16.225 5.648 ( 0.016 0.847 7.232) 7.282 5.829 ( -1.039 9.090 1.702) 9.306 6.503 ( 1.783 -0.596 0.399) 1.922 6.697 ( -2.431 -1.517 -4.952) 5.721 7.081 ( -4.711 -3.056 -2.477) 6.138 8.177 ( 2.871 -3.326 2.846) 5.234 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.746 -0.649 0.700) 1.211 1.170 ( -0.314 3.155 -0.118) 3.173 1.476 ( 4.761 4.857 -2.317) 7.185 2.277 ( -3.486 -2.641 -1.937) 4.784 2.473 ( -0.251 10.139 -1.392) 10.238 3.961 ( 8.122 3.709 2.464) 9.263 5.748 ( 5.468 4.136 9.388) 11.625 5.910 ( -0.474 9.193 0.154) 9.206 6.489 ( -1.558 -4.866 1.763) 5.405 6.617 ( -3.241 0.800 -0.865) 3.449 7.013 ( -1.093 -0.573 -5.640) 5.774 8.217 ( 3.794 -2.783 3.959) 6.149 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.000 7.154 8.125) 10.826 1.006 ( -0.000 2.269 1.831) 2.916 1.440 ( -0.000 3.904 1.739) 4.274 1.510 ( -0.000 10.411 -1.954) 10.593 2.047 ( -0.000 19.246 12.563) 22.984 2.368 ( 0.000 -6.252 -8.998) 10.957 5.567 ( -0.000 4.322 1.059) 4.450 6.009 ( -0.000 16.043 -2.174) 16.189 6.393 ( 0.000 -2.819 -0.420) 2.850 6.411 ( 0.000 -4.151 -7.587) 8.648 8.030 ( 0.000 -15.686 4.823) 16.410 8.292 ( 0.000 -0.678 -3.085) 3.159 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -1.335 6.861 2.140) 7.310 1.030 ( 0.053 2.496 1.137) 2.743 1.447 ( -1.895 -0.445 0.846) 2.123 1.640 ( 2.949 11.944 -0.693) 12.322 2.258 ( -0.500 7.714 -3.335) 8.419 2.399 ( 8.583 13.871 2.981) 16.582 5.612 ( 0.039 5.240 0.484) 5.263 6.178 ( 0.830 5.440 0.601) 5.536 6.289 ( -1.181 2.021 -5.526) 6.001 6.407 ( 2.127 -2.895 -4.180) 5.512 7.844 ( -4.337 -16.670 4.025) 17.689 8.267 ( -1.363 -0.561 -2.865) 3.222 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.119 7.378 -1.584) 7.547 1.071 ( 0.454 3.967 1.417) 4.237 1.379 ( -3.253 -3.710 -0.163) 4.937 1.832 ( 5.191 12.512 0.357) 13.551 2.319 ( 1.827 6.873 -1.257) 7.222 2.778 ( 13.264 18.946 0.739) 23.139 5.676 ( 0.470 5.681 0.784) 5.754 6.060 ( -7.970 -2.631 0.447) 8.405 6.397 ( 2.140 -1.733 -5.665) 6.299 6.453 ( 7.383 7.478 -1.935) 10.685 7.594 ( -7.236 -15.308 2.321) 17.091 8.214 ( -2.425 -2.102 -2.172) 3.875 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 3.602 9.613 1.398) 10.360 1.124 ( 0.476 4.193 0.997) 4.336 1.281 ( -3.117 -3.736 -0.962) 4.960 2.050 ( 6.211 11.151 0.087) 12.765 2.429 ( 1.763 7.850 1.257) 8.143 3.193 ( 14.600 16.142 -0.560) 21.772 5.713 ( -1.805 2.175 0.830) 2.946 5.950 ( -5.491 4.862 3.864) 8.290 6.405 ( 3.037 -1.556 -5.035) 6.082 6.630 ( 5.697 5.577 -2.506) 8.358 7.329 ( -7.909 -12.248 0.590) 14.592 8.140 ( -1.605 -4.225 -0.870) 4.602 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -2.447 -1.245 0.788) 2.856 1.186 ( -0.666 3.804 2.674) 4.697 1.303 ( 5.153 7.982 -0.659) 9.524 2.238 ( 4.663 6.392 -0.679) 7.941 2.526 ( -0.964 10.098 1.121) 10.206 3.568 ( 13.423 10.784 0.195) 17.219 5.694 ( -1.603 1.702 3.934) 4.576 5.976 ( -2.946 9.599 4.561) 11.028 6.439 ( 3.966 -1.421 -3.833) 5.696 6.715 ( -0.623 3.089 -2.109) 3.792 7.116 ( -4.998 -6.574 -1.937) 8.483 8.089 ( 1.845 -5.762 1.109) 6.151 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -1.834 -1.923 0.858) 2.793 1.224 ( -0.865 4.634 1.035) 4.826 1.456 ( 3.705 6.097 -0.481) 7.151 2.293 ( -1.105 -0.610 -1.253) 1.779 2.622 ( -2.161 14.664 -0.281) 14.825 3.849 ( 10.146 4.437 1.429) 11.166 5.749 ( 2.592 4.525 7.021) 8.745 6.038 ( -2.194 9.067 3.770) 10.061 6.466 ( 1.399 -2.752 -1.951) 3.652 6.673 ( -4.389 1.901 -0.590) 4.819 7.020 ( -1.899 -0.929 -4.898) 5.335 8.101 ( 5.362 -5.837 2.661) 8.361 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 7.312 -0.896) 7.367 1.040 ( -0.000 1.524 -1.268) 1.983 1.454 ( 0.000 -2.885 -1.297) 3.163 1.717 ( -0.000 11.783 -2.648) 12.077 2.276 ( -0.000 2.601 -6.594) 7.088 2.550 ( -0.000 24.357 6.106) 25.111 5.649 ( -0.000 4.100 -2.518) 4.811 6.213 ( 0.000 -3.285 -5.197) 6.148 6.308 ( -0.000 7.902 -4.227) 8.962 6.362 ( -0.000 -0.599 2.512) 2.582 7.722 ( 0.000 -17.656 4.249) 18.160 8.269 ( 0.000 -0.146 -2.944) 2.948 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.918 5.185 -3.798) 6.492 1.092 ( 1.347 4.629 -1.814) 5.151 1.384 ( -2.288 -4.881 -2.029) 5.760 1.866 ( 4.181 11.747 -1.886) 12.610 2.323 ( 3.169 4.550 -3.093) 6.349 2.849 ( 4.602 24.493 2.693) 25.066 5.697 ( 1.981 3.843 -2.836) 5.170 6.103 ( -2.279 -5.551 -8.494) 10.400 6.361 ( -0.639 0.601 0.727) 1.140 6.439 ( 3.673 8.477 1.946) 9.441 7.533 ( -3.361 -16.828 3.493) 17.512 8.237 ( -2.453 -0.677 -2.831) 3.807 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 3.598 6.076 -0.888) 7.117 1.157 ( 1.096 6.302 -2.187) 6.760 1.287 ( -2.592 -4.766 -1.578) 5.650 2.058 ( 5.313 10.562 -0.743) 11.846 2.444 ( 5.266 5.692 -0.138) 7.755 3.185 ( 7.398 21.037 0.293) 22.301 5.746 ( 0.324 1.745 -2.480) 3.049 6.035 ( 0.596 0.886 -4.349) 4.479 6.353 ( -0.554 0.302 -0.641) 0.900 6.595 ( 5.109 6.642 1.327) 8.484 7.312 ( -5.180 -14.324 2.416) 15.422 8.155 ( -4.370 -2.267 -2.432) 5.491 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.698 -2.589 -0.050) 3.097 1.223 ( 0.848 2.064 1.346) 2.606 1.299 ( 4.866 9.375 -1.631) 10.687 2.227 ( 3.966 6.572 -0.094) 7.676 2.603 ( 4.779 8.860 0.718) 10.092 3.498 ( 8.344 14.458 -0.251) 16.695 5.739 ( -0.797 1.418 -0.880) 1.849 6.097 ( 1.092 6.383 1.054) 6.561 6.353 ( 1.472 -0.771 -2.365) 2.891 6.742 ( 3.893 6.113 0.302) 7.254 7.109 ( -4.509 -9.861 0.712) 10.866 8.045 ( -3.308 -4.353 -1.121) 5.581 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -1.965 -2.908 0.330) 3.525 1.276 ( 0.649 4.102 0.618) 4.199 1.456 ( 3.633 6.366 -0.005) 7.330 2.299 ( 0.210 0.754 -0.420) 0.888 2.782 ( 2.225 14.526 0.318) 14.699 3.738 ( 7.872 5.940 0.304) 9.867 5.774 ( 1.643 3.901 2.723) 5.033 6.162 ( -1.687 5.704 4.346) 7.367 6.372 ( 3.543 -2.629 -4.167) 6.068 6.813 ( -4.226 6.758 2.239) 8.279 7.001 ( 0.430 -3.079 -4.082) 5.131 7.975 ( 1.637 -5.999 1.077) 6.310 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 1.781 -1.731) 2.484 1.125 ( -0.000 7.146 -7.096) 10.071 1.340 ( 0.000 -6.132 -3.246) 6.938 1.934 ( -0.000 11.729 -2.516) 11.996 2.322 ( -0.000 3.499 -1.829) 3.948 3.071 ( -0.000 25.202 1.794) 25.266 5.695 ( -0.000 2.926 -4.396) 5.281 6.011 ( 0.000 -7.140 -13.509) 15.280 6.403 ( -0.000 2.543 3.743) 4.526 6.498 ( -0.000 7.726 4.246) 8.816 7.406 ( 0.000 -16.507 3.679) 16.912 8.251 ( 0.000 0.267 -3.024) 3.035 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 2.170 2.750 -1.142) 3.684 1.189 ( 1.859 7.427 -7.095) 10.439 1.261 ( -1.246 -5.498 -1.473) 5.827 2.078 ( 3.898 10.737 -1.338) 11.501 2.387 ( 4.617 2.335 -0.265) 5.180 3.331 ( 2.013 22.716 0.271) 22.807 5.730 ( 1.707 1.875 -4.427) 5.102 5.938 ( 4.005 -3.601 -12.219) 13.353 6.419 ( -2.615 3.349 3.347) 5.409 6.598 ( 2.299 5.172 4.037) 6.952 7.243 ( -2.243 -14.254 3.496) 14.846 8.212 ( -3.869 0.104 -3.134) 4.980 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 0.320 -1.928 -0.599) 2.044 1.205 ( 2.093 -0.359 -1.290) 2.484 1.309 ( 3.949 8.883 -2.071) 9.939 2.232 ( 3.092 6.654 0.566) 7.360 2.533 ( 9.555 3.932 -0.450) 10.342 3.571 ( 2.398 17.524 -0.378) 17.691 5.739 ( 0.714 0.992 -5.732) 5.861 6.027 ( 8.877 1.839 -6.681) 11.262 6.405 ( -3.877 3.116 3.539) 6.105 6.699 ( 4.728 1.721 1.601) 5.280 7.090 ( -2.960 -8.979 3.736) 10.166 8.107 ( -6.691 -0.686 -2.770) 7.274 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 1.974 -0.783) 2.123 1.178 ( 0.000 -1.600 -8.008) 8.166 1.253 ( -0.000 3.926 -1.057) 4.066 2.143 ( -0.000 10.483 -1.157) 10.547 2.359 ( -0.000 -0.189 1.585) 1.596 3.532 ( -0.000 20.809 -0.830) 20.826 5.726 ( -0.000 2.871 -2.904) 4.084 5.816 ( 0.000 -3.296 -14.369) 14.742 6.486 ( -0.000 3.499 1.839) 3.952 6.636 ( -0.000 2.793 4.826) 5.576 7.138 ( 0.000 -12.236 3.878) 12.835 8.245 ( 0.000 1.139 -3.461) 3.643 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.425 -1.531 -1.142) 1.957 1.148 ( 2.720 -0.489 -2.247) 3.562 1.329 ( 2.476 7.792 -1.544) 8.320 2.258 ( 1.632 6.609 0.838) 6.859 2.406 ( 6.718 0.208 0.988) 6.794 3.720 ( 0.357 16.741 -1.448) 16.807 5.721 ( -0.210 1.827 -8.271) 8.473 5.863 ( 8.771 1.932 -6.196) 10.911 6.500 ( -2.350 2.570 1.081) 3.646 6.661 ( 0.700 -1.546 3.061) 3.500 7.049 ( -0.312 -7.000 4.674) 8.423 8.206 ( -4.719 1.320 -3.558) 6.056 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 -2.473 -1.974) 3.164 1.127 ( -0.000 1.708 0.349) 1.743 1.380 ( -0.000 7.732 0.186) 7.734 2.323 ( -0.000 7.716 0.614) 7.741 2.326 ( 0.000 -4.391 2.840) 5.230 3.862 ( -0.000 13.509 -2.287) 13.701 5.734 ( 0.000 3.512 -12.756) 13.231 5.783 ( -0.000 3.847 0.421) 3.870 6.540 ( -0.000 1.577 -1.602) 2.248 6.632 ( 0.000 -5.223 2.180) 5.660 7.013 ( 0.000 -3.248 5.733) 6.589 8.251 ( -0.000 1.626 -4.122) 4.431 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.000 -0.000 12.681) 12.681 0.816 ( -0.000 -0.000 12.681) 12.681 1.285 ( 0.000 0.000 -3.031) 3.031 1.285 ( 0.000 0.000 -3.031) 3.031 1.571 ( -0.000 -0.000 32.012) 32.012 2.766 ( 0.000 0.000 -19.399) 19.399 5.449 ( -0.000 -0.000 4.057) 4.057 5.449 ( -0.000 -0.000 4.057) 4.057 6.496 ( 0.000 0.000 -2.923) 2.923 6.496 ( 0.000 0.000 -2.923) 2.923 8.233 ( -0.000 -0.000 0.914) 0.914 8.473 ( 0.000 0.000 -0.572) 0.572 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -0.873 -0.504 13.815) 13.852 0.924 ( 1.419 0.819 10.850) 10.973 1.310 ( 3.313 1.913 -1.704) 4.188 1.335 ( 3.805 2.197 0.257) 4.401 1.775 ( 9.556 5.517 20.073) 22.906 2.563 ( -9.876 -5.702 -13.783) 17.889 5.457 ( 0.451 0.261 4.098) 4.131 5.694 ( 16.649 9.613 -2.108) 19.340 6.419 ( -4.935 -2.849 -2.112) 6.077 6.499 ( -0.048 -0.028 -3.394) 3.394 8.230 ( -1.239 -0.715 1.740) 2.252 8.373 ( -7.412 -4.280 -0.848) 8.601 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 2.665 1.539 10.222) 10.675 0.941 ( -2.636 -1.522 10.618) 11.045 1.417 ( 1.974 1.140 1.647) 2.813 1.427 ( 7.140 4.122 0.843) 8.288 2.058 ( 10.042 5.798 2.378) 11.837 2.395 ( 1.172 0.676 -3.839) 4.071 5.493 ( 1.634 0.943 3.915) 4.346 6.063 ( 14.360 8.291 -4.055) 17.070 6.270 ( -6.422 -3.708 -2.027) 7.687 6.479 ( -0.606 -0.350 -3.722) 3.787 8.082 ( -12.481 -7.206 3.013) 14.723 8.266 ( -1.076 -0.621 -2.340) 2.649 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -1.685 -0.973 8.821) 9.033 0.946 ( 3.285 1.897 5.185) 6.424 1.406 ( -2.911 -1.681 0.286) 3.374 1.633 ( 10.313 5.954 2.531) 12.174 2.200 ( 5.176 2.988 -2.261) 6.390 2.650 ( 17.912 10.342 -0.157) 20.684 5.552 ( 2.568 1.483 3.565) 4.637 6.030 ( -9.829 -5.675 3.218) 11.797 6.400 ( 11.971 6.911 -6.912) 15.455 6.458 ( -0.063 -0.036 -3.550) 3.550 7.771 ( -14.650 -8.458 0.889) 16.940 8.239 ( -1.136 -0.656 -0.835) 1.555 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 4.659 2.690 8.759) 10.279 1.026 ( 2.792 1.612 1.992) 3.790 1.316 ( -4.379 -2.528 -0.316) 5.066 1.890 ( 11.170 6.449 2.097) 13.067 2.314 ( 4.608 2.660 -0.993) 5.413 3.092 ( 20.027 11.562 -0.347) 23.127 5.627 ( 3.093 1.786 2.780) 4.526 5.825 ( -8.697 -5.021 6.363) 11.889 6.462 ( 1.227 0.708 -2.486) 2.862 6.603 ( 7.466 4.310 -7.014) 11.114 7.443 ( -13.886 -8.017 -0.366) 16.038 8.215 ( -0.783 -0.452 0.917) 1.288 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 2.164 1.250 0.425) 2.535 1.108 ( 2.484 1.434 6.945) 7.514 1.251 ( 1.375 0.794 -0.577) 1.690 2.135 ( 9.712 5.607 0.678) 11.235 2.374 ( 0.574 0.332 -1.698) 1.823 3.524 ( 17.332 10.007 1.045) 20.041 5.704 ( -3.612 -2.085 10.257) 11.073 5.706 ( 3.293 1.902 1.373) 4.043 6.496 ( 2.070 1.195 -0.570) 2.457 6.687 ( 1.539 0.888 -6.510) 6.748 7.164 ( -9.722 -5.613 -1.807) 11.371 8.217 ( 0.513 0.296 2.869) 2.930 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.000 -1.070 14.457) 14.496 0.964 ( -0.000 3.161 5.072) 5.976 1.330 ( -0.000 6.028 -1.045) 6.118 1.332 ( -0.000 6.395 -2.892) 7.018 1.834 ( -0.000 7.833 23.824) 25.079 2.516 ( 0.000 -10.416 -16.037) 19.122 5.505 ( -0.000 2.505 2.270) 3.381 5.656 ( -0.000 16.753 -0.104) 16.753 6.444 ( 0.000 -2.394 -1.302) 2.725 6.464 ( 0.000 -2.543 -3.966) 4.711 8.230 ( 0.000 -1.917 1.787) 2.621 8.370 ( 0.000 -8.590 -0.868) 8.633 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.050 1.030 11.266) 11.313 0.998 ( -0.299 1.212 3.100) 3.342 1.409 ( 1.744 4.321 0.387) 4.676 1.423 ( 2.527 9.165 -0.131) 9.508 2.030 ( 4.691 10.582 11.320) 16.190 2.359 ( -0.854 -4.966 -9.812) 11.031 5.526 ( -0.730 3.737 2.363) 4.481 5.931 ( 10.793 14.704 -2.640) 18.430 6.340 ( -5.944 -4.239 -1.278) 7.412 6.451 ( 1.055 -2.446 -3.578) 4.461 8.149 ( -5.397 -11.783 3.687) 13.474 8.273 ( -1.576 -1.476 -2.794) 3.531 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.444 -0.289 5.438) 5.464 1.008 ( -1.007 2.951 3.311) 4.548 1.430 ( -1.570 -1.107 0.861) 2.105 1.597 ( 5.484 11.105 1.961) 12.539 2.181 ( 1.855 6.439 -0.765) 6.744 2.482 ( 13.451 10.435 -0.717) 17.039 5.574 ( 0.427 4.635 2.823) 5.444 6.141 ( -6.473 -3.375 3.120) 7.939 6.264 ( 9.200 8.325 -5.659) 13.637 6.431 ( 0.767 -1.920 -3.879) 4.396 7.885 ( -10.457 -13.220 1.347) 16.909 8.242 ( -0.915 -1.113 -1.231) 1.894 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 3.369 3.394 4.539) 6.593 1.049 ( 0.135 4.116 3.190) 5.209 1.357 ( -3.862 -3.534 0.575) 5.267 1.827 ( 7.514 11.089 2.203) 13.575 2.289 ( 3.195 6.380 0.289) 7.141 2.887 ( 18.137 14.264 -1.154) 23.103 5.641 ( 0.683 4.795 2.969) 5.681 5.960 ( -9.128 -3.524 5.775) 11.362 6.420 ( 2.282 -1.208 -4.404) 5.105 6.499 ( 8.176 6.553 -4.644) 11.461 7.568 ( -11.911 -11.725 -0.361) 16.718 8.208 ( -0.499 -2.527 0.252) 2.588 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 2.403 4.572 1.361) 5.341 1.121 ( 2.760 5.583 7.175) 9.501 1.258 ( -2.830 -2.810 -0.413) 4.010 2.067 ( 7.633 9.610 1.094) 12.321 2.385 ( 0.659 5.114 -0.030) 5.156 3.333 ( 17.924 12.703 -0.057) 21.969 5.692 ( -0.006 1.415 3.852) 4.104 5.843 ( -6.003 3.476 8.520) 10.986 6.448 ( 3.462 -0.502 -3.036) 4.632 6.640 ( 3.814 3.602 -5.251) 7.423 7.267 ( -10.620 -8.830 -1.773) 13.925 8.188 ( 1.424 -3.391 2.109) 4.239 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.000 2.568 8.734) 9.104 1.010 ( -0.000 1.129 -0.952) 1.476 1.446 ( -0.000 3.995 -0.123) 3.997 1.487 ( -0.000 10.425 -2.831) 10.802 2.153 ( -0.000 12.980 9.566) 16.124 2.283 ( 0.000 -2.077 -8.399) 8.652 5.569 ( -0.000 3.326 -0.765) 3.412 6.000 ( -0.000 17.010 0.064) 17.010 6.346 ( 0.000 -6.258 -6.527) 9.042 6.397 ( 0.000 -2.051 1.323) 2.440 8.069 ( 0.000 -15.670 3.702) 16.101 8.267 ( 0.000 -0.596 -2.432) 2.503 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -2.278 2.106 1.607) 3.494 1.032 ( 1.153 2.133 -0.417) 2.460 1.447 ( -1.508 -1.148 -0.665) 2.009 1.630 ( 4.364 11.433 -1.425) 12.320 2.221 ( 0.989 4.218 -4.274) 6.086 2.433 ( 6.607 17.116 4.039) 18.786 5.610 ( 1.244 4.079 -0.914) 4.361 6.190 ( 0.602 4.690 1.921) 5.104 6.235 ( 0.451 1.835 -5.957) 6.250 6.389 ( 0.351 -1.727 -0.088) 1.765 7.874 ( -4.965 -16.538 2.493) 17.446 8.246 ( -1.126 -0.744 -1.716) 2.183 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 1.583 5.341 -0.676) 5.612 1.080 ( 1.235 3.083 0.468) 3.354 1.378 ( -2.887 -4.239 -0.075) 5.130 1.834 ( 6.041 11.683 0.121) 13.153 2.312 ( 3.282 7.125 -0.352) 7.852 2.782 ( 11.894 19.114 0.235) 22.513 5.681 ( 1.598 4.494 0.264) 4.777 6.065 ( -5.157 -4.379 0.486) 6.783 6.358 ( 1.234 -0.475 -2.373) 2.717 6.442 ( 5.820 8.278 -0.593) 10.136 7.608 ( -8.091 -14.965 0.798) 17.031 8.200 ( -1.861 -2.499 -0.767) 3.209 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 4.368 8.708 1.057) 9.799 1.138 ( 2.329 3.744 1.898) 4.801 1.278 ( -3.400 -4.518 0.344) 5.665 2.053 ( 6.322 10.405 0.421) 12.182 2.439 ( 2.005 8.056 0.887) 8.349 3.188 ( 14.578 16.367 -0.498) 21.924 5.726 ( -0.436 1.399 1.889) 2.391 5.991 ( -3.299 3.508 4.999) 6.941 6.366 ( 2.650 -1.404 -3.213) 4.395 6.610 ( 4.486 6.878 -1.906) 8.430 7.327 ( -8.830 -11.953 -0.948) 14.891 8.140 ( -0.657 -4.685 0.843) 4.806 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 3.261 -1.879) 3.763 1.022 ( -0.000 1.555 -2.804) 3.207 1.435 ( 0.000 -3.763 -2.449) 4.490 1.690 ( -0.000 11.883 -3.306) 12.334 2.224 ( -0.000 4.457 -4.678) 6.461 2.601 ( -0.000 22.329 4.919) 22.865 5.621 ( -0.000 3.224 -3.559) 4.802 6.143 ( 0.000 -9.108 -8.550) 12.492 6.308 ( -0.000 12.941 2.742) 13.228 6.390 ( -0.000 -0.019 3.555) 3.555 7.754 ( 0.000 -17.538 2.747) 17.752 8.247 ( 0.000 -0.442 -1.797) 1.850 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.612 5.209 -4.788) 7.102 1.074 ( 2.461 2.767 -2.293) 4.356 1.367 ( -1.551 -5.288 -1.633) 5.748 1.847 ( 5.022 11.805 -2.217) 13.019 2.300 ( 3.932 5.582 -1.984) 7.111 2.872 ( 3.748 23.435 2.162) 23.831 5.669 ( 2.956 3.144 -3.161) 5.349 6.025 ( 0.205 -8.091 -8.299) 11.592 6.382 ( -2.129 1.684 3.584) 4.496 6.463 ( 2.734 9.388 3.349) 10.335 7.558 ( -3.803 -16.527 1.987) 17.075 8.217 ( -2.256 -1.140 -1.621) 3.002 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.000 2.319 -2.036) 3.085 1.049 ( -0.000 5.848 -9.278) 10.967 1.320 ( 0.000 -5.685 -1.284) 5.828 1.911 ( -0.000 12.269 -2.525) 12.526 2.311 ( -0.000 4.774 -0.475) 4.797 3.085 ( -0.000 23.951 1.187) 23.981 5.657 ( -0.000 3.042 -3.828) 4.889 5.902 ( 0.000 -8.787 -10.499) 13.691 6.435 ( -0.000 2.158 3.310) 3.951 6.544 ( -0.000 8.229 5.839) 10.090 7.432 ( 0.000 -16.236 2.047) 16.365 8.228 ( 0.000 -0.229 -2.053) 2.066 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.000 -0.000 9.058) 9.058 0.916 ( 0.000 -0.000 9.058) 9.058 1.256 ( 0.000 0.000 -3.143) 3.143 1.256 ( 0.000 0.000 -3.143) 3.143 1.853 ( -0.000 -0.000 30.175) 30.175 2.576 ( 0.000 0.000 -22.587) 22.587 5.481 ( 0.000 -0.000 2.887) 2.887 5.481 ( 0.000 -0.000 2.887) 2.887 6.473 ( 0.000 0.000 -2.112) 2.112 6.473 ( 0.000 0.000 -2.112) 2.112 8.240 ( -0.000 -0.000 0.641) 0.641 8.469 ( 0.000 0.000 -0.410) 0.410 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.846 -0.489 10.233) 10.279 0.994 ( 1.687 0.974 4.356) 4.772 1.297 ( 4.267 2.464 -1.047) 5.038 1.326 ( 5.580 3.222 -1.548) 6.627 1.968 ( 2.734 1.578 21.998) 22.223 2.419 ( -5.834 -3.368 -17.819) 19.050 5.490 ( 0.604 0.349 3.190) 3.266 5.681 ( 14.396 8.311 -1.168) 16.664 6.407 ( -4.582 -2.645 -0.430) 5.308 6.470 ( -0.357 -0.206 -2.918) 2.947 8.242 ( -0.223 -0.129 1.030) 1.062 8.366 ( -8.290 -4.786 -0.672) 9.595 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.247 0.720 7.619) 7.754 1.002 ( -1.867 -1.078 2.466) 3.276 1.430 ( 2.143 1.237 1.302) 2.796 1.439 ( 8.020 4.630 1.954) 9.465 2.094 ( 3.821 2.206 5.756) 7.252 2.348 ( 5.923 3.420 -6.447) 9.399 5.527 ( 1.713 0.989 3.518) 4.036 6.031 ( 15.410 8.897 -3.002) 18.046 6.268 ( -7.453 -4.303 1.510) 8.737 6.445 ( -0.759 -0.438 -3.607) 3.712 8.100 ( -13.352 -7.709 0.815) 15.439 8.250 ( -0.388 -0.224 -0.954) 1.054 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.392 -0.226 5.163) 5.183 0.990 ( 1.974 1.140 4.246) 4.819 1.415 ( -3.313 -1.913 1.766) 4.214 1.660 ( 10.355 5.979 3.224) 12.384 2.196 ( 5.015 2.895 1.386) 5.954 2.636 ( 18.217 10.518 -2.780) 21.219 5.586 ( 2.470 1.426 3.890) 4.824 6.074 ( -9.134 -5.273 6.452) 12.364 6.345 ( 11.819 6.823 -5.186) 14.599 6.424 ( 0.118 0.068 -3.877) 3.880 7.771 ( -14.996 -8.658 -0.986) 17.343 8.237 ( -0.720 -0.416 0.460) 0.950 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -0.000 -0.247 10.079) 10.082 0.990 ( -0.000 0.908 0.492) 1.033 1.307 ( -0.000 6.606 -2.347) 7.010 1.319 ( -0.000 7.047 -1.038) 7.123 2.046 ( -0.000 2.741 22.778) 22.942 2.354 ( 0.000 -6.719 -19.521) 20.645 5.518 ( -0.000 1.810 0.402) 1.854 5.661 ( -0.000 15.354 0.938) 15.382 6.432 ( 0.000 -3.573 -3.005) 4.668 6.439 ( 0.000 -1.721 0.251) 1.739 8.243 ( 0.000 -0.470 1.007) 1.111 8.364 ( 0.000 -9.656 -0.517) 9.670 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -1.074 -0.394 7.337) 7.425 1.002 ( 0.821 0.131 -1.968) 2.136 1.409 ( 2.276 4.697 -0.116) 5.221 1.421 ( 4.364 8.937 -0.204) 9.948 2.132 ( -0.633 4.096 10.221) 11.030 2.266 ( 3.107 0.325 -9.734) 10.223 5.541 ( 0.538 2.750 0.871) 2.934 5.916 ( 9.545 15.122 -0.827) 17.902 6.334 ( -4.616 -5.260 -0.209) 7.001 6.427 ( 0.058 -2.035 -1.510) 2.534 8.175 ( -6.625 -12.625 1.856) 14.377 8.252 ( -0.670 -0.430 -1.571) 1.761 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.576 -2.265 2.374) 3.332 1.026 ( 0.583 2.562 0.939) 2.790 1.438 ( -1.085 -1.532 0.974) 2.115 1.615 ( 6.503 10.446 1.913) 12.452 2.189 ( 1.841 4.958 2.460) 5.833 2.466 ( 13.053 12.169 -2.894) 18.079 5.596 ( 1.445 3.832 2.092) 4.599 6.178 ( -5.955 -4.722 4.900) 9.043 6.222 ( 9.440 9.574 -3.556) 13.907 6.401 ( 0.119 -1.532 -2.581) 3.004 7.888 ( -11.233 -12.990 -0.624) 17.185 8.237 ( -0.440 -1.205 0.245) 1.306 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 0.787 -4.224) 4.297 0.988 ( -0.000 -0.432 5.040) 5.059 1.440 ( -0.000 3.408 -0.962) 3.541 1.461 ( -0.000 10.056 -2.807) 10.440 2.158 ( 0.000 -0.267 -7.356) 7.361 2.282 ( -0.000 10.617 7.332) 12.903 5.554 ( -0.000 2.479 -2.415) 3.461 6.009 ( -0.000 17.649 1.760) 17.737 6.296 ( 0.000 -7.916 -4.476) 9.094 6.416 ( 0.000 -1.347 2.775) 3.084 8.095 ( 0.000 -15.858 1.802) 15.960 8.251 ( 0.000 -0.227 -1.039) 1.064 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 -0.000 3.587) 3.587 0.975 ( -0.000 -0.000 3.587) 3.587 1.233 ( 0.000 0.000 -1.595) 1.595 1.233 ( 0.000 0.000 -1.595) 1.595 2.116 ( -0.000 -0.000 27.966) 27.966 2.358 ( 0.000 0.000 -25.433) 25.433 5.499 ( -0.000 -0.000 1.050) 1.050 5.499 ( 0.000 -0.000 1.050) 1.050 6.460 ( 0.000 0.000 -0.775) 0.775 6.460 ( 0.000 0.000 -0.775) 0.775 8.244 ( -0.000 -0.000 0.231) 0.231 8.466 ( 0.000 0.000 -0.150) 0.150 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 7.23e-05 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.424 -0.245 5.163) 5.186 0.999 ( 0.860 0.496 -3.256) 3.404 1.294 ( 5.266 3.040 0.539) 6.104 1.316 ( 6.366 3.675 -0.473) 7.366 2.166 ( -2.323 -1.341 21.366) 21.533 2.244 ( -1.627 -0.939 -20.531) 20.617 5.512 ( 1.000 0.577 1.582) 1.958 5.671 ( 13.268 7.660 -1.087) 15.359 6.412 ( -3.926 -2.267 1.425) 4.752 6.448 ( -0.869 -0.502 -1.793) 2.055 8.247 ( 0.161 0.093 0.037) 0.190 8.362 ( -8.730 -5.040 -0.120) 10.081 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 150.955 150.955 206.759 -0.000 -0.000 -0.000 3/40500 20.0 42.194 42.194 48.427 -0.000 -0.000 -0.000 3/40500 30.0 24.701 24.701 24.405 -0.000 -0.000 -0.000 3/40500 40.0 18.468 18.468 16.093 -0.000 -0.000 -0.000 3/40500 50.0 14.908 14.908 11.951 -0.000 -0.000 -0.000 3/40500 60.0 12.444 12.444 9.480 -0.000 -0.000 -0.000 3/40500 70.0 10.625 10.625 7.851 -0.000 -0.000 -0.000 3/40500 80.0 9.240 9.240 6.704 -0.000 -0.000 -0.000 3/40500 90.0 8.162 8.162 5.856 -0.000 -0.000 -0.000 3/40500 100.0 7.304 7.304 5.203 -0.000 -0.000 -0.000 3/40500 110.0 6.607 6.607 4.686 -0.000 -0.000 -0.000 3/40500 120.0 6.032 6.032 4.266 -0.000 -0.000 -0.000 3/40500 130.0 5.549 5.549 3.917 -0.000 -0.000 -0.000 3/40500 140.0 5.138 5.138 3.623 -0.000 -0.000 -0.000 3/40500 150.0 4.784 4.784 3.371 -0.000 -0.000 -0.000 3/40500 160.0 4.477 4.477 3.152 -0.000 -0.000 -0.000 3/40500 170.0 4.207 4.207 2.961 -0.000 -0.000 -0.000 3/40500 180.0 3.968 3.968 2.793 -0.000 -0.000 -0.000 3/40500 190.0 3.755 3.755 2.643 -0.000 -0.000 -0.000 3/40500 200.0 3.564 3.564 2.508 -0.000 -0.000 -0.000 3/40500 210.0 3.391 3.391 2.387 -0.000 -0.000 -0.000 3/40500 220.0 3.235 3.235 2.277 -0.000 -0.000 -0.000 3/40500 230.0 3.093 3.093 2.177 -0.000 -0.000 -0.000 3/40500 240.0 2.962 2.962 2.085 -0.000 -0.000 -0.000 3/40500 250.0 2.843 2.843 2.001 -0.000 -0.000 -0.000 3/40500 260.0 2.732 2.732 1.924 -0.000 -0.000 -0.000 3/40500 270.0 2.630 2.630 1.852 -0.000 -0.000 -0.000 3/40500 280.0 2.536 2.536 1.786 -0.000 -0.000 -0.000 3/40500 290.0 2.448 2.448 1.724 -0.000 -0.000 -0.000 3/40500 300.0 2.366 2.366 1.666 -0.000 -0.000 -0.000 3/40500 310.0 2.289 2.289 1.612 -0.000 -0.000 -0.000 3/40500 320.0 2.217 2.217 1.562 -0.000 -0.000 -0.000 3/40500 330.0 2.150 2.150 1.514 -0.000 -0.000 -0.000 3/40500 340.0 2.086 2.086 1.470 -0.000 -0.000 -0.000 3/40500 350.0 2.026 2.026 1.428 -0.000 -0.000 -0.000 3/40500 360.0 1.970 1.970 1.388 -0.000 -0.000 -0.000 3/40500 370.0 1.917 1.917 1.351 -0.000 -0.000 -0.000 3/40500 380.0 1.866 1.866 1.315 -0.000 -0.000 -0.000 3/40500 390.0 1.818 1.818 1.281 -0.000 -0.000 -0.000 3/40500 400.0 1.773 1.773 1.249 -0.000 -0.000 -0.000 3/40500 410.0 1.729 1.729 1.219 -0.000 -0.000 -0.000 3/40500 420.0 1.688 1.688 1.190 -0.000 -0.000 -0.000 3/40500 430.0 1.649 1.649 1.162 -0.000 -0.000 -0.000 3/40500 440.0 1.611 1.611 1.136 -0.000 -0.000 -0.000 3/40500 450.0 1.575 1.575 1.111 -0.000 -0.000 -0.000 3/40500 460.0 1.541 1.541 1.087 -0.000 -0.000 -0.000 3/40500 470.0 1.508 1.508 1.064 -0.000 -0.000 -0.000 3/40500 480.0 1.477 1.477 1.041 -0.000 -0.000 -0.000 3/40500 490.0 1.447 1.447 1.020 -0.000 -0.000 -0.000 3/40500 500.0 1.418 1.418 1.000 -0.000 -0.000 -0.000 3/40500 510.0 1.390 1.390 0.980 -0.000 -0.000 -0.000 3/40500 520.0 1.363 1.363 0.961 -0.000 -0.000 -0.000 3/40500 530.0 1.338 1.338 0.943 -0.000 -0.000 -0.000 3/40500 540.0 1.313 1.313 0.926 -0.000 -0.000 -0.000 3/40500 550.0 1.289 1.289 0.909 -0.000 -0.000 -0.000 3/40500 560.0 1.266 1.266 0.893 -0.000 -0.000 -0.000 3/40500 570.0 1.244 1.244 0.877 -0.000 -0.000 -0.000 3/40500 580.0 1.222 1.222 0.862 -0.000 -0.000 -0.000 3/40500 590.0 1.202 1.202 0.848 -0.000 -0.000 -0.000 3/40500 600.0 1.182 1.182 0.834 -0.000 -0.000 -0.000 3/40500 610.0 1.162 1.162 0.820 -0.000 -0.000 -0.000 3/40500 620.0 1.143 1.143 0.807 -0.000 -0.000 -0.000 3/40500 630.0 1.125 1.125 0.794 -0.000 -0.000 -0.000 3/40500 640.0 1.108 1.108 0.782 -0.000 -0.000 -0.000 3/40500 650.0 1.091 1.091 0.770 -0.000 -0.000 -0.000 3/40500 660.0 1.074 1.074 0.758 -0.000 -0.000 -0.000 3/40500 670.0 1.058 1.058 0.747 -0.000 -0.000 -0.000 3/40500 680.0 1.043 1.043 0.736 -0.000 -0.000 -0.000 3/40500 690.0 1.028 1.028 0.725 -0.000 -0.000 -0.000 3/40500 700.0 1.013 1.013 0.715 -0.000 -0.000 -0.000 3/40500 710.0 0.999 0.999 0.705 -0.000 -0.000 -0.000 3/40500 720.0 0.985 0.985 0.695 -0.000 -0.000 -0.000 3/40500 730.0 0.971 0.971 0.685 -0.000 -0.000 -0.000 3/40500 740.0 0.958 0.958 0.676 -0.000 -0.000 -0.000 3/40500 750.0 0.945 0.945 0.667 -0.000 -0.000 -0.000 3/40500 760.0 0.933 0.933 0.658 -0.000 -0.000 -0.000 3/40500 770.0 0.921 0.921 0.650 -0.000 -0.000 -0.000 3/40500 780.0 0.909 0.909 0.642 -0.000 -0.000 -0.000 3/40500 790.0 0.898 0.898 0.633 -0.000 -0.000 -0.000 3/40500 800.0 0.886 0.886 0.626 -0.000 -0.000 -0.000 3/40500 810.0 0.875 0.875 0.618 -0.000 -0.000 -0.000 3/40500 820.0 0.865 0.865 0.610 -0.000 -0.000 -0.000 3/40500 830.0 0.854 0.854 0.603 -0.000 -0.000 -0.000 3/40500 840.0 0.844 0.844 0.596 -0.000 -0.000 -0.000 3/40500 850.0 0.834 0.834 0.589 -0.000 -0.000 -0.000 3/40500 860.0 0.825 0.825 0.582 -0.000 -0.000 -0.000 3/40500 870.0 0.815 0.815 0.575 -0.000 -0.000 -0.000 3/40500 880.0 0.806 0.806 0.569 -0.000 -0.000 -0.000 3/40500 890.0 0.797 0.797 0.562 -0.000 -0.000 -0.000 3/40500 900.0 0.788 0.788 0.556 -0.000 -0.000 -0.000 3/40500 910.0 0.779 0.779 0.550 -0.000 -0.000 -0.000 3/40500 920.0 0.771 0.771 0.544 -0.000 -0.000 -0.000 3/40500 930.0 0.763 0.763 0.538 -0.000 -0.000 -0.000 3/40500 940.0 0.754 0.754 0.533 -0.000 -0.000 -0.000 3/40500 950.0 0.747 0.747 0.527 -0.000 -0.000 -0.000 3/40500 960.0 0.739 0.739 0.522 -0.000 -0.000 -0.000 3/40500 970.0 0.731 0.731 0.516 -0.000 -0.000 -0.000 3/40500 980.0 0.724 0.724 0.511 -0.000 -0.000 -0.000 3/40500 990.0 0.716 0.716 0.506 -0.000 -0.000 -0.000 3/40500 1000.0 0.709 0.709 0.501 -0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:01:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|