----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:19:18]------------------------- 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 1.992530516142153 1.150388029863213 7.579176756666658 b -1.992530516142149 1.150388029863213 7.579176756666658 c 0.000000000000002 -2.300776059726430 7.579176756666658 Atomic positions (fractional): *1 S 0.23030779202020 0.23030779202020 0.23030779202020 32.065 2 S 0.76969220797980 0.76969220797980 0.76969220797980 32.065 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.985061032284302 0.000000000000000 0.000000000000000 b -1.992530516142151 3.451164089589644 0.000000000000000 c 0.000000000000000 0.000000000000000 22.737530269999997 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23030779202020 32.065 > 1 2 S 0.66666666666667 0.33333333333333 0.10302554131313 32.065 > 2 3 S 0.66666666666667 0.33333333333333 0.56364112535353 32.065 > 1 4 S 0.33333333333333 0.66666666666667 0.43635887464647 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.89697445868687 32.065 > 1 6 S 0.00000000000000 0.00000000000000 0.76969220797980 32.065 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 4 11 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 12 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.955183096852906 0.000000000000000 0.000000000000000 b -5.977591548426453 10.353492268768932 0.000000000000000 c 0.000000000000000 0.000000000000000 22.737530269999997 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.23030779202020 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23030779202020 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23030779202020 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23030779202020 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23030779202020 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23030779202020 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23030779202020 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23030779202020 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23030779202020 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10302554131313 32.065 > 2 11 S 0.55555555555556 0.11111111111111 0.10302554131313 32.065 > 2 12 S 0.88888888888889 0.11111111111111 0.10302554131313 32.065 > 2 13 S 0.22222222222222 0.44444444444444 0.10302554131313 32.065 > 2 14 S 0.55555555555556 0.44444444444444 0.10302554131313 32.065 > 2 15 S 0.88888888888889 0.44444444444444 0.10302554131313 32.065 > 2 16 S 0.22222222222222 0.77777777777778 0.10302554131313 32.065 > 2 17 S 0.55555555555556 0.77777777777778 0.10302554131313 32.065 > 2 18 S 0.88888888888889 0.77777777777778 0.10302554131313 32.065 > 2 19 S 0.22222222222222 0.11111111111111 0.56364112535353 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56364112535353 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56364112535353 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56364112535353 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56364112535353 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56364112535353 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56364112535353 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56364112535353 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56364112535353 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43635887464647 32.065 > 2 29 S 0.44444444444444 0.22222222222222 0.43635887464647 32.065 > 2 30 S 0.77777777777778 0.22222222222222 0.43635887464647 32.065 > 2 31 S 0.11111111111111 0.55555555555556 0.43635887464647 32.065 > 2 32 S 0.44444444444444 0.55555555555556 0.43635887464647 32.065 > 2 33 S 0.77777777777778 0.55555555555556 0.43635887464647 32.065 > 2 34 S 0.11111111111111 0.88888888888889 0.43635887464647 32.065 > 2 35 S 0.44444444444444 0.88888888888889 0.43635887464647 32.065 > 2 36 S 0.77777777777778 0.88888888888889 0.43635887464647 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.89697445868687 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89697445868687 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89697445868687 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89697445868687 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89697445868687 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89697445868687 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89697445868687 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89697445868687 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89697445868687 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76969220797980 32.065 > 2 47 S 0.33333333333333 0.00000000000000 0.76969220797980 32.065 > 2 48 S 0.66666666666667 0.00000000000000 0.76969220797980 32.065 > 2 49 S 0.00000000000000 0.33333333333333 0.76969220797980 32.065 > 2 50 S 0.33333333333333 0.33333333333333 0.76969220797980 32.065 > 2 51 S 0.66666666666667 0.33333333333333 0.76969220797980 32.065 > 2 52 S 0.00000000000000 0.66666666666667 0.76969220797980 32.065 > 2 53 S 0.33333333333333 0.66666666666667 0.76969220797980 32.065 > 2 54 S 0.66666666666667 0.66666666666667 0.76969220797980 32.065 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 4 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 4 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 4 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 4 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 4 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 4 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 4 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 4 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 4 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 4 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 4 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 4 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 4 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 4 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 4 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 4 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 4 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 4 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 4 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 4 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 4 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 4 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 4 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 4 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 4 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 4 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5685797 -0.0000000 0.0000000 0.0000000 5.5685797 0.0000000 0.0000000 0.0000000 4.3533709 -------------------------- Born effective charges -------------------------- 1 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 2 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 3 Rb 1.0532956 -0.0000000 0.0000000 -0.0000000 1.0532956 0.0000000 0.0000000 0.0000000 1.9235225 4 Er 4.3881590 -0.0000000 0.0000000 -0.0000000 4.3881590 0.0000000 0.0000000 0.0000000 1.8586138 ---------------------------------------------------------------------------- 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: 168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.117 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 168 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:19:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:22]------------------------- 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 1.992530516142153 1.150388029863213 7.579176756666658 b -1.992530516142149 1.150388029863213 7.579176756666658 c 0.000000000000002 -2.300776059726430 7.579176756666658 Atomic positions (fractional): 1 S 0.23030779202020 0.23030779202020 0.23030779202020 32.065 2 S 0.76969220797980 0.76969220797980 0.76969220797980 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.955183096852906 0.000000000000000 0.000000000000000 b -5.977591548426453 10.353492268768932 0.000000000000000 c 0.000000000000000 0.000000000000000 22.737530269999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23030779202020 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23030779202020 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23030779202020 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23030779202020 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23030779202020 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23030779202020 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23030779202020 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23030779202020 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23030779202020 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10302554131313 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10302554131313 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10302554131313 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10302554131313 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10302554131313 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10302554131313 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10302554131313 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10302554131313 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10302554131313 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56364112535353 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56364112535353 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56364112535353 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56364112535353 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56364112535353 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56364112535353 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56364112535353 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56364112535353 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56364112535353 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43635887464647 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43635887464647 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43635887464647 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43635887464647 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43635887464647 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43635887464647 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43635887464647 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43635887464647 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43635887464647 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89697445868687 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89697445868687 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89697445868687 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89697445868687 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89697445868687 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89697445868687 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89697445868687 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89697445868687 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89697445868687 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76969220797980 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76969220797980 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76969220797980 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76969220797980 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76969220797980 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76969220797980 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76969220797980 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76969220797980 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76969220797980 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.5685797 -0.0000000 0.0000000 0.0000000 5.5685797 0.0000000 0.0000000 0.0000000 4.3533709 -------------------------- Born effective charges -------------------------- 1 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 2 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 3 Rb 1.0532956 -0.0000000 0.0000000 -0.0000000 1.0532956 0.0000000 0.0000000 0.0000000 1.9235225 4 Er 4.3881590 -0.0000000 0.0000000 -0.0000000 4.3881590 0.0000000 0.0000000 0.0000000 1.8586138 ---------------------------------------------------------------------------- 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:19:27]------------------------- 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 1.992530516142153 1.150388029863213 7.579176756666658 b -1.992530516142149 1.150388029863213 7.579176756666658 c 0.000000000000002 -2.300776059726430 7.579176756666658 Atomic positions (fractional): 1 S 0.23030779202020 0.23030779202020 0.23030779202020 32.065 2 S 0.76969220797980 0.76969220797980 0.76969220797980 32.065 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.955183096852906 0.000000000000000 0.000000000000000 b -5.977591548426453 10.353492268768932 0.000000000000000 c 0.000000000000000 0.000000000000000 22.737530269999997 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.23030779202020 32.065 > 1 2 S 0.33333333333333 0.00000000000000 0.23030779202020 32.065 > 1 3 S 0.66666666666667 0.00000000000000 0.23030779202020 32.065 > 1 4 S 0.00000000000000 0.33333333333333 0.23030779202020 32.065 > 1 5 S 0.33333333333333 0.33333333333333 0.23030779202020 32.065 > 1 6 S 0.66666666666667 0.33333333333333 0.23030779202020 32.065 > 1 7 S 0.00000000000000 0.66666666666667 0.23030779202020 32.065 > 1 8 S 0.33333333333333 0.66666666666667 0.23030779202020 32.065 > 1 9 S 0.66666666666667 0.66666666666667 0.23030779202020 32.065 > 1 10 S 0.22222222222222 0.11111111111111 0.10302554131313 32.065 > 10 11 S 0.55555555555556 0.11111111111111 0.10302554131313 32.065 > 10 12 S 0.88888888888889 0.11111111111111 0.10302554131313 32.065 > 10 13 S 0.22222222222222 0.44444444444444 0.10302554131313 32.065 > 10 14 S 0.55555555555556 0.44444444444444 0.10302554131313 32.065 > 10 15 S 0.88888888888889 0.44444444444444 0.10302554131313 32.065 > 10 16 S 0.22222222222222 0.77777777777778 0.10302554131313 32.065 > 10 17 S 0.55555555555556 0.77777777777778 0.10302554131313 32.065 > 10 18 S 0.88888888888889 0.77777777777778 0.10302554131313 32.065 > 10 19 S 0.22222222222222 0.11111111111111 0.56364112535353 32.065 > 1 20 S 0.55555555555556 0.11111111111111 0.56364112535353 32.065 > 1 21 S 0.88888888888889 0.11111111111111 0.56364112535353 32.065 > 1 22 S 0.22222222222222 0.44444444444444 0.56364112535353 32.065 > 1 23 S 0.55555555555556 0.44444444444444 0.56364112535353 32.065 > 1 24 S 0.88888888888889 0.44444444444444 0.56364112535353 32.065 > 1 25 S 0.22222222222222 0.77777777777778 0.56364112535353 32.065 > 1 26 S 0.55555555555556 0.77777777777778 0.56364112535353 32.065 > 1 27 S 0.88888888888889 0.77777777777778 0.56364112535353 32.065 > 1 28 S 0.11111111111111 0.22222222222222 0.43635887464647 32.065 > 10 29 S 0.44444444444444 0.22222222222222 0.43635887464647 32.065 > 10 30 S 0.77777777777778 0.22222222222222 0.43635887464647 32.065 > 10 31 S 0.11111111111111 0.55555555555556 0.43635887464647 32.065 > 10 32 S 0.44444444444444 0.55555555555556 0.43635887464647 32.065 > 10 33 S 0.77777777777778 0.55555555555556 0.43635887464647 32.065 > 10 34 S 0.11111111111111 0.88888888888889 0.43635887464647 32.065 > 10 35 S 0.44444444444444 0.88888888888889 0.43635887464647 32.065 > 10 36 S 0.77777777777778 0.88888888888889 0.43635887464647 32.065 > 10 37 S 0.11111111111111 0.22222222222222 0.89697445868687 32.065 > 1 38 S 0.44444444444444 0.22222222222222 0.89697445868687 32.065 > 1 39 S 0.77777777777778 0.22222222222222 0.89697445868687 32.065 > 1 40 S 0.11111111111111 0.55555555555556 0.89697445868687 32.065 > 1 41 S 0.44444444444444 0.55555555555556 0.89697445868687 32.065 > 1 42 S 0.77777777777778 0.55555555555556 0.89697445868687 32.065 > 1 43 S 0.11111111111111 0.88888888888889 0.89697445868687 32.065 > 1 44 S 0.44444444444444 0.88888888888889 0.89697445868687 32.065 > 1 45 S 0.77777777777778 0.88888888888889 0.89697445868687 32.065 > 1 46 S 0.00000000000000 0.00000000000000 0.76969220797980 32.065 > 10 47 S 0.33333333333333 0.00000000000000 0.76969220797980 32.065 > 10 48 S 0.66666666666667 0.00000000000000 0.76969220797980 32.065 > 10 49 S 0.00000000000000 0.33333333333333 0.76969220797980 32.065 > 10 50 S 0.33333333333333 0.33333333333333 0.76969220797980 32.065 > 10 51 S 0.66666666666667 0.33333333333333 0.76969220797980 32.065 > 10 52 S 0.00000000000000 0.66666666666667 0.76969220797980 32.065 > 10 53 S 0.33333333333333 0.66666666666667 0.76969220797980 32.065 > 10 54 S 0.66666666666667 0.66666666666667 0.76969220797980 32.065 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Er 0.11111111111111 0.22222222222222 0.16666666666667 167.259 > 82 83 Er 0.44444444444444 0.22222222222222 0.16666666666667 167.259 > 82 84 Er 0.77777777777778 0.22222222222222 0.16666666666667 167.259 > 82 85 Er 0.11111111111111 0.55555555555556 0.16666666666667 167.259 > 82 86 Er 0.44444444444444 0.55555555555556 0.16666666666667 167.259 > 82 87 Er 0.77777777777778 0.55555555555556 0.16666666666667 167.259 > 82 88 Er 0.11111111111111 0.88888888888889 0.16666666666667 167.259 > 82 89 Er 0.44444444444444 0.88888888888889 0.16666666666667 167.259 > 82 90 Er 0.77777777777778 0.88888888888889 0.16666666666667 167.259 > 82 91 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 82 92 Er 0.33333333333333 0.00000000000000 0.50000000000000 167.259 > 82 93 Er 0.66666666666667 0.00000000000000 0.50000000000000 167.259 > 82 94 Er 0.00000000000000 0.33333333333333 0.50000000000000 167.259 > 82 95 Er 0.33333333333333 0.33333333333333 0.50000000000000 167.259 > 82 96 Er 0.66666666666667 0.33333333333333 0.50000000000000 167.259 > 82 97 Er 0.00000000000000 0.66666666666667 0.50000000000000 167.259 > 82 98 Er 0.33333333333333 0.66666666666667 0.50000000000000 167.259 > 82 99 Er 0.66666666666667 0.66666666666667 0.50000000000000 167.259 > 82 100 Er 0.22222222222222 0.11111111111111 0.83333333333333 167.259 > 82 101 Er 0.55555555555556 0.11111111111111 0.83333333333333 167.259 > 82 102 Er 0.88888888888889 0.11111111111111 0.83333333333333 167.259 > 82 103 Er 0.22222222222222 0.44444444444444 0.83333333333333 167.259 > 82 104 Er 0.55555555555556 0.44444444444444 0.83333333333333 167.259 > 82 105 Er 0.88888888888889 0.44444444444444 0.83333333333333 167.259 > 82 106 Er 0.22222222222222 0.77777777777778 0.83333333333333 167.259 > 82 107 Er 0.55555555555556 0.77777777777778 0.83333333333333 167.259 > 82 108 Er 0.88888888888889 0.77777777777778 0.83333333333333 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.5685797 -0.0000000 0.0000000 0.0000000 5.5685797 0.0000000 0.0000000 0.0000000 4.3533709 -------------------------- Born effective charges -------------------------- 1 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 2 S -2.7207273 0.0000000 0.0000000 0.0000000 -2.7207273 0.0000000 0.0000000 0.0000000 -1.8910682 3 Rb 1.0532956 -0.0000000 0.0000000 -0.0000000 1.0532956 0.0000000 0.0000000 0.0000000 1.9235225 4 Er 4.3881590 -0.0000000 0.0000000 -0.0000000 4.3881590 0.0000000 0.0000000 0.0000000 1.8586138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.88, Number of G-points: 301, Lambda: 0.21 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 1.10e-04 7.23e-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 2.148 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 8.249 ( 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 18.786 10.846 -5.077) 22.279 0.427 ( 19.644 11.342 -3.997) 23.033 0.853 ( 35.869 20.709 13.522) 43.569 2.154 ( 0.492 0.284 0.642) 0.857 2.196 ( 4.395 2.538 -1.983) 5.449 3.621 ( -2.619 -1.512 1.134) 3.230 5.272 ( 2.425 1.400 0.465) 2.839 6.454 ( -2.101 -1.213 0.223) 2.436 6.460 ( -1.358 -0.784 -0.211) 1.582 7.090 ( 3.951 2.281 -18.017) 18.586 8.167 ( -6.768 -3.908 1.848) 8.031 8.528 ( 0.290 0.167 0.159) 0.371 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 18.599 10.738 -5.041) 22.059 0.850 ( 19.449 11.229 -5.733) 23.178 1.663 ( 32.853 18.968 12.304) 39.881 2.173 ( 0.931 0.537 1.323) 1.704 2.320 ( 7.364 4.251 -4.459) 9.601 3.544 ( -4.319 -2.494 0.060) 4.988 5.355 ( 4.792 2.767 0.777) 5.588 6.382 ( -4.274 -2.468 0.080) 4.936 6.420 ( -2.054 -1.186 -0.376) 2.402 7.143 ( 3.825 2.209 -6.420) 7.793 7.988 ( -9.427 -5.443 2.240) 11.114 8.505 ( -2.021 -1.167 -3.420) 4.141 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 17.513 10.111 -5.113) 20.859 1.254 ( 18.370 10.606 -7.789) 22.596 2.203 ( 1.317 0.760 2.085) 2.580 2.325 ( 18.806 10.858 9.537) 23.717 2.525 ( 16.299 9.410 -6.831) 20.022 3.442 ( -4.759 -2.747 2.837) 6.184 5.487 ( 6.756 3.900 0.873) 7.849 6.276 ( -4.857 -2.804 -0.420) 5.624 6.374 ( -1.750 -1.011 -0.463) 2.073 7.210 ( 2.710 1.565 -0.653) 3.197 7.769 ( -10.636 -6.141 1.618) 12.388 8.423 ( -3.823 -2.207 -5.700) 7.209 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 14.942 8.627 -5.300) 18.049 1.616 ( 16.240 9.376 -9.346) 20.952 2.244 ( 1.757 1.015 2.906) 3.545 2.543 ( 5.700 3.291 -1.118) 6.676 2.954 ( 14.711 8.493 -2.969) 17.244 3.395 ( 1.351 0.780 9.588) 9.714 5.653 ( 7.617 4.398 0.777) 8.829 6.184 ( -2.739 -1.582 -1.069) 3.339 6.346 ( -0.570 -0.329 -0.453) 0.799 7.240 ( -0.734 -0.424 2.958) 3.077 7.526 ( -11.183 -6.457 -0.663) 12.930 8.324 ( -2.911 -1.681 -5.982) 6.862 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 10.684 6.169 -5.191) 13.385 1.920 ( 13.419 7.748 -9.616) 18.236 2.300 ( 2.415 1.394 3.415) 4.409 2.642 ( 3.761 2.171 -2.314) 4.921 3.044 ( -2.871 -1.658 2.336) 4.056 3.599 ( 10.941 6.317 6.486) 14.201 5.818 ( 6.684 3.859 0.547) 7.737 6.163 ( 1.416 0.818 -1.651) 2.323 6.349 ( 0.953 0.550 -0.335) 1.150 7.166 ( -8.503 -4.909 6.242) 11.634 7.294 ( -7.124 -4.113 -5.445) 9.865 8.274 ( -0.222 -0.128 -3.827) 3.836 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.628 3.249 -3.812) 7.534 2.158 ( 10.198 5.888 -8.066) 14.273 2.369 ( 2.708 1.564 2.700) 4.132 2.695 ( 1.272 0.734 -1.774) 2.303 2.962 ( -4.472 -2.582 6.247) 8.105 3.811 ( 6.429 3.712 2.053) 7.702 5.942 ( 4.172 2.409 0.270) 4.825 6.238 ( 5.652 3.263 -1.934) 6.807 6.381 ( 1.794 1.036 -0.157) 2.078 6.918 ( -12.806 -7.393 2.454) 14.989 7.184 ( -2.942 -1.699 -2.746) 4.368 8.282 ( 1.174 0.678 -1.457) 1.991 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 1.617 0.933 -1.324) 2.289 2.316 ( 4.870 2.812 -3.833) 6.805 2.422 ( 1.241 0.717 0.943) 1.716 2.683 ( -1.449 -0.837 0.154) 1.681 2.912 ( -1.201 -0.693 2.989) 3.295 3.903 ( 1.845 1.065 0.306) 2.152 6.003 ( 1.338 0.773 0.069) 1.547 6.392 ( 8.019 4.630 -1.608) 9.398 6.415 ( 0.922 0.532 -0.034) 1.065 6.654 ( -10.549 -6.091 1.313) 12.252 7.133 ( -1.060 -0.612 -0.838) 1.483 8.302 ( 0.640 0.370 -0.287) 0.793 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.000 21.037 14.044) 25.294 0.509 ( -0.000 23.096 10.624) 25.423 0.805 ( -0.000 39.595 5.084) 39.920 2.140 ( 0.000 0.003 -2.489) 2.489 2.204 ( -0.000 5.680 -0.071) 5.681 3.624 ( -0.000 -4.164 1.606) 4.463 5.268 ( -0.000 2.612 -0.473) 2.655 6.452 ( 0.000 -2.506 -0.329) 2.527 6.462 ( 0.000 -1.473 0.264) 1.497 7.004 ( 0.000 11.507 -34.386) 36.261 8.175 ( -0.000 -7.857 2.959) 8.396 8.542 ( -0.000 -0.023 2.763) 2.764 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.027 18.480 10.735) 21.585 0.884 ( 7.273 25.380 -1.427) 26.440 1.437 ( 24.198 29.636 10.874) 39.776 2.152 ( 2.074 0.110 -2.302) 3.100 2.286 ( 2.241 7.650 -1.736) 8.158 3.562 ( -2.082 -4.599 -1.195) 5.188 5.323 ( 2.862 3.835 0.021) 4.785 6.405 ( -1.996 -3.871 -0.265) 4.363 6.435 ( -1.249 -1.609 0.108) 2.040 7.064 ( 4.763 5.337 -16.690) 18.159 8.053 ( -5.229 -9.044 3.442) 11.000 8.525 ( -2.140 -0.484 -0.987) 2.405 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 12.202 13.985 3.728) 18.930 1.238 ( 8.071 23.032 -4.927) 24.898 2.123 ( 20.972 17.605 8.375) 28.634 2.201 ( 4.784 3.652 1.604) 6.229 2.419 ( 5.975 10.144 -5.552) 13.017 3.470 ( -2.648 -5.014 -0.182) 5.674 5.435 ( 5.043 5.149 0.546) 7.228 6.313 ( -3.743 -4.403 -0.420) 5.794 6.398 ( -1.684 -0.695 -0.179) 1.830 7.151 ( 4.956 2.437 -7.027) 8.938 7.862 ( -8.025 -9.005 3.249) 12.492 8.452 ( -4.116 -2.056 -4.015) 6.107 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 14.421 10.787 -0.738) 18.024 1.563 ( 8.365 19.193 -6.640) 21.964 2.244 ( 1.997 2.794 0.637) 3.493 2.473 ( 6.161 3.831 -0.150) 7.257 2.795 ( 17.229 17.372 -1.043) 24.489 3.400 ( -0.221 -3.485 5.200) 6.264 5.589 ( 6.423 6.223 0.804) 8.979 6.209 ( -3.354 -3.393 -0.875) 4.851 6.370 ( -1.550 1.016 -0.402) 1.897 7.221 ( 3.046 0.043 -1.942) 3.613 7.634 ( -9.921 -8.748 2.247) 13.416 8.340 ( -4.050 -2.761 -5.532) 7.391 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 13.062 7.937 -3.316) 15.640 1.844 ( 7.742 15.076 -7.449) 18.513 2.310 ( 1.332 4.355 2.047) 4.993 2.583 ( 4.651 2.133 -2.482) 5.687 3.059 ( 1.844 2.943 -1.180) 3.668 3.507 ( 9.610 5.293 8.340) 13.781 5.763 ( 6.270 6.600 0.846) 9.143 6.149 ( -0.424 -1.091 -1.427) 1.846 6.367 ( -0.880 2.791 -0.512) 2.971 7.230 ( -0.932 -1.848 0.885) 2.251 7.375 ( -11.164 -8.381 -0.494) 13.968 8.255 ( -0.927 -2.278 -4.463) 5.095 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 9.139 5.488 -3.763) 11.304 2.069 ( 6.876 10.925 -7.423) 14.891 2.384 ( 0.926 5.329 2.638) 6.018 2.659 ( 3.276 1.086 -2.121) 4.051 3.028 ( -3.913 -1.910 3.817) 5.790 3.742 ( 7.944 5.079 3.783) 10.159 5.918 ( 4.219 6.152 0.689) 7.491 6.173 ( 3.758 1.362 -1.837) 4.399 6.390 ( -0.033 3.785 -0.463) 3.814 7.078 ( -13.265 -6.852 2.702) 15.173 7.195 ( -1.873 -2.803 -3.445) 4.820 8.240 ( 2.165 -1.818 -2.061) 3.498 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 3.715 3.739 -2.532) 5.847 2.246 ( 6.202 6.785 -5.889) 10.917 2.450 ( -0.305 4.994 2.128) 5.437 2.691 ( 0.314 0.042 -1.136) 1.179 2.954 ( -3.760 -1.291 4.012) 5.648 3.877 ( 3.478 1.859 1.661) 4.280 6.019 ( 0.957 5.340 0.375) 5.438 6.279 ( 6.915 1.907 -1.704) 7.373 6.432 ( 0.643 4.184 -0.396) 4.252 6.800 ( -12.648 -5.480 0.967) 13.818 7.142 ( -1.299 -1.189 -1.289) 2.182 8.262 ( 2.784 -2.130 -0.539) 3.546 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -0.402 1.907 -0.561) 2.028 2.348 ( 1.021 1.888 -1.176) 2.448 2.470 ( -2.595 3.236 0.776) 4.220 2.681 ( -0.544 0.962 -0.384) 1.170 2.910 ( -1.495 0.129 -0.735) 1.671 3.915 ( -0.055 -0.366 1.358) 1.408 6.053 ( -2.384 3.977 0.060) 4.637 6.368 ( 2.186 -2.850 -0.105) 3.593 6.501 ( -0.719 3.017 -0.322) 3.118 6.604 ( -2.625 2.384 0.175) 3.550 7.126 ( 0.300 0.109 0.152) 0.353 8.277 ( 1.779 -2.878 0.064) 3.384 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -3.956 -1.097 1.913) 4.529 2.294 ( -7.143 -1.848 5.007) 8.917 2.434 ( -4.796 2.334 -1.420) 5.519 2.699 ( 0.544 0.242 0.637) 0.872 2.909 ( 1.839 2.370 -6.137) 6.830 3.872 ( -4.352 -2.223 0.631) 4.928 6.017 ( -5.169 1.626 -0.215) 5.423 6.294 ( -4.723 -4.964 1.581) 7.033 6.435 ( -4.149 1.738 0.414) 4.518 6.787 ( 10.780 8.211 -1.925) 13.687 7.155 ( 2.365 0.710 1.689) 2.991 8.269 ( 0.855 -3.288 0.815) 3.494 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -8.494 -5.634 4.476) 11.132 2.135 ( -11.955 -1.333 7.333) 14.088 2.359 ( -5.375 2.085 -2.968) 6.485 2.676 ( -2.239 -2.435 1.726) 3.731 2.986 ( 5.106 3.735 -5.718) 8.527 3.715 ( -10.500 -4.689 -2.178) 11.703 5.913 ( -7.468 -0.821 -0.480) 7.528 6.189 ( -3.136 -2.635 1.790) 4.471 6.394 ( -3.332 2.143 0.433) 3.986 7.043 ( 10.730 7.412 -4.744) 13.877 7.230 ( 5.018 0.778 3.977) 6.450 8.260 ( 1.381 -2.475 2.521) 3.793 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -13.223 -9.041 5.484) 16.931 1.911 ( -16.462 -0.298 7.643) 18.152 2.288 ( -4.300 1.844 -3.128) 5.628 2.598 ( -4.199 -3.359 1.049) 5.479 3.074 ( -0.343 1.789 2.015) 2.716 3.432 ( -12.377 -6.182 -8.508) 16.242 5.756 ( -8.858 -2.254 -0.674) 9.165 6.161 ( 0.939 -0.304 1.328) 1.655 6.371 ( -2.032 2.243 0.471) 3.063 7.200 ( 3.726 2.269 -5.359) 6.910 7.394 ( 10.769 3.281 3.089) 11.674 8.295 ( 3.411 -0.391 4.483) 5.646 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -16.723 -10.206 4.734) 20.156 1.625 ( -20.653 1.000 7.068) 21.852 2.232 ( -3.166 1.016 -2.249) 4.015 2.460 ( -8.941 -4.629 -2.382) 10.347 2.818 ( -24.439 -6.313 3.532) 25.487 3.351 ( 6.155 0.491 -5.811) 8.479 5.583 ( -8.603 -2.376 -0.707) 8.953 6.216 ( 4.402 1.094 0.657) 4.583 6.374 ( -0.140 1.773 0.398) 1.823 7.219 ( -0.243 -0.639 -2.437) 2.531 7.624 ( 11.709 3.405 0.078) 12.194 8.385 ( 4.742 1.177 4.611) 6.718 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -18.675 -8.438 3.005) 20.712 1.285 ( -23.925 2.152 5.407) 24.622 2.053 ( -30.716 -7.972 -6.200) 32.334 2.191 ( -2.351 0.129 -1.482) 2.782 2.459 ( -12.162 -2.264 3.313) 12.806 3.466 ( 6.676 0.918 -0.993) 6.812 5.430 ( -6.980 -1.468 -0.504) 7.151 6.315 ( 5.547 1.045 0.122) 5.646 6.400 ( 1.431 0.905 0.233) 1.709 7.184 ( -2.118 -0.962 0.182) 2.333 7.844 ( 11.325 2.198 -0.655) 11.555 8.481 ( 3.638 0.988 2.613) 4.587 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -19.111 0.000 0.000) 19.111 0.893 ( -25.782 0.000 0.000) 25.782 1.386 ( -39.468 0.000 0.000) 39.468 2.163 ( -1.088 0.000 0.000) 1.088 2.294 ( -7.878 0.000 0.000) 7.878 3.567 ( 4.718 -0.000 -0.000) 4.718 5.323 ( -4.733 0.000 0.000) 4.733 6.406 ( 4.330 -0.000 -0.000) 4.330 6.435 ( 2.001 -0.000 -0.000) 2.001 7.142 ( -2.217 0.000 0.000) 2.217 8.036 ( 10.145 -0.000 -0.000) 10.145 8.530 ( 1.001 -0.000 -0.000) 1.001 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.000 20.484 12.615) 24.057 1.013 ( -0.000 23.056 8.916) 24.720 1.576 ( -0.000 36.608 5.055) 36.955 2.119 ( 0.000 0.008 -4.737) 4.737 2.354 ( -0.000 9.841 -0.812) 9.874 3.519 ( 0.000 -6.329 -2.643) 6.859 5.341 ( -0.000 5.370 -0.656) 5.410 6.377 ( 0.000 -4.735 -0.472) 4.758 6.427 ( 0.000 -2.270 0.384) 2.302 7.030 ( 0.000 6.453 -16.794) 17.991 8.007 ( 0.000 -10.973 3.534) 11.528 8.540 ( 0.000 -1.172 -0.013) 1.172 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -3.475 20.895 12.693) 24.693 1.345 ( 5.585 22.124 1.091) 22.844 2.056 ( 13.122 26.006 5.502) 29.644 2.140 ( 4.539 1.732 -2.964) 5.691 2.465 ( 1.453 12.919 -2.807) 13.300 3.435 ( -0.868 -7.183 -2.375) 7.615 5.423 ( 2.965 6.609 -0.180) 7.246 6.312 ( -1.885 -5.085 -0.402) 5.438 6.404 ( -0.279 -1.593 0.219) 1.632 7.074 ( 3.728 3.511 -11.184) 12.301 7.875 ( -3.928 -11.112 3.449) 12.280 8.492 ( -3.501 -2.135 -1.516) 4.372 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.572 18.400 8.547) 20.450 1.629 ( 4.997 19.526 -3.526) 20.462 2.207 ( 5.175 2.657 -3.747) 6.919 2.430 ( 5.293 6.925 2.938) 9.198 2.738 ( 11.756 22.693 -2.260) 25.657 3.359 ( 0.657 -6.280 1.869) 6.585 5.562 ( 5.086 7.736 0.593) 9.277 6.223 ( -2.883 -4.165 -0.663) 5.108 6.394 ( -0.140 0.488 -0.185) 0.541 7.139 ( 4.640 0.039 -6.454) 7.949 7.691 ( -6.689 -10.411 3.313) 12.810 8.381 ( -5.498 -2.896 -3.366) 7.067 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 5.745 14.187 3.611) 15.726 1.873 ( 5.108 16.133 -5.140) 17.686 2.320 ( 4.236 5.148 -1.033) 6.746 2.532 ( 2.965 3.097 -1.173) 4.445 3.046 ( 4.220 7.120 -4.011) 9.197 3.423 ( 8.667 4.198 7.718) 12.342 5.737 ( 5.866 8.397 1.219) 10.316 6.148 ( -1.703 -2.011 -1.203) 2.897 6.408 ( -0.200 3.113 -0.717) 3.200 7.178 ( 3.185 -2.775 -4.255) 5.995 7.473 ( -9.174 -9.131 3.153) 13.323 8.255 ( -4.048 -3.075 -3.838) 6.370 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.585 10.243 0.306) 12.181 2.076 ( 4.249 12.539 -5.431) 14.310 2.432 ( 1.978 6.980 1.172) 7.349 2.604 ( 3.535 1.459 -1.477) 4.099 3.066 ( -1.292 -1.243 0.752) 1.944 3.668 ( 8.687 6.755 3.829) 11.651 5.914 ( 4.874 7.984 1.549) 9.482 6.133 ( 1.508 0.705 -1.751) 2.416 6.440 ( -0.495 4.919 -1.152) 5.076 7.160 ( -0.260 -4.959 -5.524) 7.427 7.234 ( -10.449 -5.860 4.379) 12.755 8.183 ( 0.188 -3.190 -2.408) 4.002 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.835 7.562 -0.905) 9.022 2.225 ( 3.429 8.583 -4.947) 10.483 2.520 ( -0.150 6.271 2.311) 6.685 2.664 ( 2.633 0.636 -1.002) 2.888 3.024 ( -3.380 0.261 2.457) 4.186 3.831 ( 4.784 2.313 1.425) 5.501 6.054 ( 2.688 6.755 1.293) 7.385 6.199 ( 4.518 2.530 -1.745) 5.465 6.474 ( -0.610 4.761 -1.319) 4.978 6.959 ( -11.518 -5.075 -0.536) 12.598 7.146 ( -1.107 -1.378 -0.362) 1.804 8.177 ( 3.190 -3.859 -0.818) 5.073 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.614 5.364 -0.848) 5.465 2.333 ( 3.004 4.836 -3.291) 6.576 2.549 ( -2.300 2.563 2.292) 4.137 2.695 ( 0.583 0.820 -0.466) 1.109 2.979 ( -4.763 3.724 0.120) 6.047 3.897 ( 2.229 -0.810 1.536) 2.826 6.136 ( -0.847 5.756 0.601) 5.849 6.294 ( 4.320 0.492 -0.894) 4.439 6.510 ( 1.199 3.036 -1.186) 3.473 6.747 ( -10.036 0.972 0.526) 10.096 7.128 ( -0.296 0.155 -0.226) 0.403 8.193 ( 3.544 -4.798 -0.109) 5.966 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -3.601 2.258 0.274) 4.260 2.373 ( -1.818 0.917 0.789) 2.184 2.525 ( -2.889 1.858 0.041) 3.435 2.700 ( -0.232 -0.164 0.158) 0.325 2.941 ( -4.031 5.598 -3.923) 7.936 3.903 ( -0.805 -1.946 2.137) 3.001 6.129 ( -5.034 3.057 -0.083) 5.890 6.307 ( -1.305 -3.145 0.551) 3.449 6.527 ( -2.597 1.345 0.547) 2.975 6.732 ( 3.367 9.113 -1.088) 9.776 7.136 ( 0.875 0.448 0.667) 1.188 8.197 ( 2.801 -5.281 0.321) 5.987 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -7.607 -1.983 2.040) 8.121 2.307 ( -7.043 0.262 3.955) 8.082 2.480 ( -5.454 3.186 -1.862) 6.585 2.681 ( -0.921 -2.732 1.009) 3.055 2.949 ( 0.885 5.252 -5.873) 7.928 3.828 ( -6.701 -2.681 1.126) 7.305 6.038 ( -7.414 0.427 -0.371) 7.435 6.227 ( -3.877 -2.852 1.267) 4.977 6.495 ( -4.363 3.800 0.926) 5.859 6.934 ( 9.486 8.183 -2.986) 12.879 7.171 ( 2.963 -0.500 2.114) 3.674 8.196 ( 2.837 -4.435 1.234) 5.407 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -11.744 -4.340 3.129) 12.905 2.166 ( -11.722 0.429 4.145) 12.440 2.402 ( -6.637 3.474 -2.012) 7.757 2.624 ( -2.466 -3.405 0.892) 4.298 3.035 ( 5.384 3.522 -3.002) 7.100 3.617 ( -14.929 -3.871 -1.488) 15.495 5.895 ( -9.230 -0.693 -0.472) 9.268 6.160 ( -1.511 -1.284 1.128) 2.281 6.456 ( -4.499 3.247 0.651) 5.586 7.136 ( 6.214 5.098 -5.755) 9.886 7.255 ( 8.191 -0.646 4.275) 9.262 8.227 ( 4.328 -2.144 2.331) 5.363 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -16.165 -3.782 2.299) 16.760 1.951 ( -15.625 0.506 3.011) 15.920 2.318 ( -5.860 1.947 -1.213) 6.293 2.537 ( -4.929 -2.461 -0.034) 5.510 3.145 ( -3.346 3.079 6.579) 7.998 3.272 ( -12.515 -4.862 -8.779) 16.041 5.723 ( -9.960 -0.851 -0.347) 10.003 6.164 ( 2.298 -0.011 0.538) 2.360 6.417 ( -2.917 1.590 0.296) 3.335 7.200 ( 1.394 0.388 -2.216) 2.647 7.449 ( 11.902 1.181 0.871) 11.992 8.311 ( 5.813 -0.141 2.092) 6.179 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -19.059 0.000 0.000) 19.059 1.667 ( -19.572 0.000 0.000) 19.572 2.242 ( -4.031 0.000 0.000) 4.031 2.390 ( -12.801 0.000 0.000) 12.801 2.768 ( -25.955 0.000 0.000) 25.955 3.339 ( 8.499 -0.000 -0.000) 8.499 5.557 ( -8.987 0.000 0.000) 8.987 6.229 ( 4.953 -0.000 -0.000) 4.953 6.396 ( -0.522 0.000 0.000) 0.522 7.202 ( -0.617 0.000 0.000) 0.617 7.657 ( 11.964 -0.000 -0.000) 11.964 8.412 ( 5.499 -0.000 -0.000) 5.499 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.000 19.005 10.613) 21.768 1.492 ( -0.000 21.443 6.418) 22.383 2.086 ( 0.000 0.060 -6.475) 6.475 2.229 ( -0.000 24.971 5.333) 25.535 2.586 ( -0.000 17.400 -3.909) 17.834 3.356 ( 0.000 -8.593 -2.385) 8.917 5.467 ( -0.000 7.925 -0.442) 7.937 6.279 ( 0.000 -4.746 -0.063) 4.746 6.385 ( 0.000 -2.047 0.288) 2.067 7.041 ( 0.000 2.595 -10.561) 10.876 7.804 ( 0.000 -11.759 2.956) 12.125 8.498 ( 0.000 -2.724 -0.830) 2.848 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -3.871 18.894 11.153) 22.279 1.740 ( 2.813 17.928 0.516) 18.155 2.119 ( 5.478 1.636 -5.978) 8.272 2.453 ( 2.595 9.852 2.671) 10.532 2.817 ( 5.035 23.630 -5.348) 24.745 3.279 ( 1.213 -6.994 2.116) 7.407 5.574 ( 3.090 8.844 0.136) 9.369 6.222 ( -1.778 -3.602 -0.091) 4.018 6.381 ( 1.257 -0.779 0.061) 1.480 7.051 ( 2.758 -0.315 -8.035) 8.501 7.674 ( -2.984 -11.237 2.630) 11.920 8.431 ( -4.089 -3.029 -1.567) 5.325 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.800 15.232 7.518) 17.081 1.942 ( 3.403 14.967 -2.532) 15.556 2.255 ( 7.793 4.918 -3.211) 9.759 2.541 ( 0.661 4.481 -0.916) 4.621 3.028 ( 2.983 3.620 -6.668) 8.153 3.366 ( 7.474 9.507 7.810) 14.396 5.735 ( 5.096 9.396 1.126) 10.748 6.160 ( -2.186 -1.621 -0.692) 2.808 6.414 ( 2.128 1.692 -0.569) 2.778 7.069 ( 3.762 -3.568 -5.916) 7.866 7.510 ( -5.236 -9.819 2.671) 11.444 8.307 ( -6.075 -2.898 -2.355) 7.131 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 1.508 11.572 3.576) 12.205 2.124 ( 3.052 12.164 -3.003) 12.896 2.428 ( 6.342 6.335 -0.684) 8.990 2.586 ( 0.986 3.338 -0.799) 3.571 3.037 ( 2.116 -3.626 -1.333) 4.405 3.626 ( 6.875 10.650 3.391) 13.122 5.918 ( 5.065 8.845 2.061) 10.399 6.128 ( -0.463 0.960 -1.473) 1.818 6.473 ( 1.650 3.909 -1.570) 4.524 7.067 ( 3.077 -5.410 -4.917) 7.931 7.331 ( -7.029 -7.278 2.995) 10.552 8.180 ( -4.368 -2.815 -2.129) 5.616 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 3.189 9.802 1.942) 10.489 2.253 ( 1.869 8.270 -3.453) 9.155 2.561 ( 2.889 4.135 0.572) 5.077 2.637 ( 1.232 2.715 1.126) 3.187 3.054 ( 2.005 0.660 0.613) 2.198 3.788 ( 3.416 3.961 0.412) 5.247 6.068 ( 3.227 6.125 2.022) 7.212 6.166 ( 2.726 4.007 -1.448) 5.058 6.519 ( -0.120 3.471 -2.464) 4.259 7.030 ( -1.487 -3.799 -3.674) 5.490 7.175 ( -5.098 -3.248 2.680) 6.612 8.105 ( -0.291 -3.697 -1.073) 3.860 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 1.479 8.369 0.844) 8.541 2.335 ( 1.565 5.196 -2.739) 6.079 2.601 ( -1.123 0.747 1.443) 1.975 2.674 ( 1.514 -0.635 1.282) 2.083 3.109 ( -1.838 8.596 -0.109) 8.791 3.840 ( 2.529 -1.978 0.073) 3.211 6.172 ( 2.798 4.657 0.746) 5.484 6.253 ( 2.350 3.430 -0.283) 4.167 6.517 ( -0.749 -0.158 -2.351) 2.473 6.926 ( -7.927 2.845 -0.341) 8.429 7.132 ( 0.003 -0.162 0.274) 0.318 8.084 ( 2.761 -5.267 -0.286) 5.954 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -3.216 5.703 0.292) 6.554 2.391 ( 0.979 2.598 -1.206) 3.027 2.570 ( -2.016 -0.532 1.187) 2.399 2.682 ( 0.966 -2.589 0.221) 2.772 3.124 ( -7.695 10.960 -2.134) 13.561 3.861 ( 3.281 -3.834 1.643) 5.308 6.227 ( -2.584 3.153 0.199) 4.081 6.290 ( 0.722 -0.468 -0.131) 0.870 6.514 ( 2.661 -0.982 -0.562) 2.892 6.862 ( -5.953 9.169 0.106) 10.933 7.137 ( -0.111 0.545 -0.041) 0.558 8.084 ( 3.737 -6.045 0.048) 7.107 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -7.694 1.207 0.624) 7.813 2.398 ( -2.349 1.009 1.236) 2.839 2.553 ( -1.127 1.805 -1.163) 2.425 2.660 ( 0.035 -3.481 0.243) 3.489 3.063 ( -8.337 7.400 -3.120) 11.575 3.870 ( -0.131 -2.472 1.919) 3.133 6.155 ( -6.374 -0.043 -0.134) 6.375 6.266 ( -2.684 -1.294 0.350) 3.001 6.566 ( 1.379 1.777 0.796) 2.386 6.912 ( 1.133 9.540 -1.175) 9.679 7.137 ( 0.636 -1.195 0.576) 1.471 8.094 ( 3.929 -4.894 0.405) 6.289 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -10.191 -1.029 0.903) 10.283 2.335 ( -6.868 0.514 1.560) 7.062 2.532 ( -4.577 3.042 -1.417) 5.676 2.620 ( -0.783 -3.341 0.717) 3.505 3.013 ( -1.494 2.861 -2.261) 3.940 3.791 ( -8.073 -1.353 0.629) 8.209 6.034 ( -7.775 -0.285 -0.163) 7.782 6.196 ( -3.683 -0.880 0.451) 3.814 6.565 ( -3.996 2.164 0.626) 4.587 7.060 ( 7.198 6.416 -3.167) 10.149 7.150 ( 3.183 -3.238 2.439) 5.154 8.132 ( 4.699 -2.197 0.695) 5.234 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -12.983 0.000 0.000) 12.983 2.184 ( -11.569 0.000 0.000) 11.569 2.441 ( -7.195 0.000 0.000) 7.195 2.583 ( -2.153 0.000 0.000) 2.153 3.065 ( 5.924 -0.000 -0.000) 5.924 3.571 ( -17.378 0.000 0.000) 17.378 5.886 ( -9.667 0.000 0.000) 9.667 6.152 ( -0.924 0.000 0.000) 0.924 6.495 ( -5.029 0.000 0.000) 5.029 7.168 ( 2.298 -0.000 -0.000) 2.298 7.260 ( 11.212 -0.000 -0.000) 11.212 8.212 ( 5.761 -0.000 -0.000) 5.761 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.000 15.933 8.719) 18.163 1.900 ( -0.000 17.379 2.977) 17.632 2.049 ( 0.000 0.541 -7.659) 7.678 2.525 ( -0.000 6.909 -0.352) 6.918 2.951 ( 0.000 12.805 -9.678) 16.051 3.246 ( -0.000 4.003 8.427) 9.330 5.635 ( -0.000 9.280 0.004) 9.280 6.212 ( 0.000 -1.964 0.374) 1.999 6.357 ( 0.000 -0.893 0.042) 0.894 6.996 ( 0.000 -1.950 -7.247) 7.504 7.596 ( 0.000 -10.994 1.769) 11.136 8.434 ( 0.000 -3.081 -1.110) 3.275 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -4.227 8.780 3.442) 10.335 2.033 ( 1.616 13.461 0.226) 13.559 2.166 ( 7.902 7.500 -2.715) 11.228 2.568 ( 0.276 3.338 -3.973) 5.197 2.966 ( 1.373 -4.464 -3.957) 6.122 3.432 ( 3.563 18.297 7.157) 19.967 5.755 ( 3.480 9.301 0.582) 9.948 6.185 ( -1.891 -0.022 -0.092) 1.893 6.378 ( 2.729 0.535 -0.222) 2.790 6.964 ( 1.937 -4.389 -5.647) 7.410 7.480 ( -2.137 -9.839 1.306) 10.153 8.365 ( -4.178 -2.677 -1.339) 5.140 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -0.032 6.951 0.542) 6.972 2.186 ( 1.994 10.167 -0.380) 10.368 2.372 ( 7.606 8.144 -0.039) 11.143 2.597 ( 1.594 2.999 -4.005) 5.251 2.934 ( 2.630 -6.775 0.487) 7.284 3.676 ( 3.205 14.757 3.561) 15.516 5.924 ( 5.217 8.786 1.612) 10.344 6.158 ( -1.881 2.018 -1.033) 2.946 6.449 ( 3.937 2.243 -1.145) 4.673 6.941 ( 3.216 -6.193 -4.031) 8.059 7.350 ( -3.528 -7.881 1.206) 8.719 8.248 ( -6.257 -1.975 -1.405) 6.710 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 3.185 7.689 1.363) 8.434 2.289 ( 1.659 6.055 -2.246) 6.668 2.533 ( 3.696 3.765 1.133) 5.396 2.666 ( 1.348 4.845 0.099) 5.030 2.958 ( 7.409 -3.044 0.405) 8.020 3.818 ( -0.219 7.553 0.520) 7.574 6.082 ( 3.283 6.331 2.232) 7.473 6.172 ( 0.911 4.467 -1.445) 4.782 6.521 ( 2.046 1.755 -2.644) 3.776 6.943 ( 4.863 -4.461 -2.331) 6.999 7.224 ( -4.111 -5.059 1.246) 6.637 8.125 ( -5.390 -1.892 -0.988) 5.798 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 3.359 7.991 1.503) 8.798 2.355 ( 1.238 4.176 -1.837) 4.727 2.599 ( 1.889 0.676 0.446) 2.055 2.675 ( -2.237 -1.449 2.506) 3.658 3.136 ( 9.240 7.306 0.132) 11.781 3.821 ( -2.962 -0.099 -1.153) 3.180 6.171 ( 2.033 4.490 0.273) 4.936 6.255 ( 2.466 4.244 0.643) 4.950 6.515 ( -1.261 -2.081 -2.971) 3.840 7.004 ( 3.174 2.167 -1.381) 4.084 7.136 ( -2.211 -1.946 1.302) 3.221 8.032 ( -2.426 -3.245 -0.437) 4.075 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.073 7.009 0.560) 7.031 2.401 ( 0.342 3.243 -0.576) 3.312 2.597 ( -2.572 -2.160 1.052) 3.520 2.631 ( 1.360 -3.135 0.560) 3.463 3.330 ( -0.457 13.136 -0.486) 13.153 3.752 ( 1.328 -6.999 -0.259) 7.129 6.251 ( 2.364 3.486 -0.393) 4.230 6.309 ( -0.795 2.057 0.972) 2.410 6.456 ( 0.343 -3.829 -1.546) 4.144 7.032 ( -3.810 6.376 -0.084) 7.428 7.136 ( 1.330 0.319 0.091) 1.371 7.982 ( 1.200 -4.645 -0.101) 4.799 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -7.364 2.873 0.298) 7.910 2.425 ( -0.009 1.237 0.089) 1.241 2.564 ( 0.820 -0.335 -0.038) 0.886 2.622 ( 0.366 -2.571 0.003) 2.597 3.308 ( -12.167 7.001 -1.339) 14.101 3.786 ( 7.168 -3.669 1.072) 8.123 6.255 ( -5.758 0.005 0.018) 5.758 6.288 ( -0.397 0.416 -0.145) 0.593 6.497 ( 6.111 -0.475 0.099) 6.131 7.036 ( -3.529 7.448 0.274) 8.246 7.129 ( -1.430 -1.942 -0.349) 2.437 7.985 ( 3.833 -3.281 0.060) 5.046 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -9.654 0.000 0.000) 9.654 2.415 ( -2.319 0.000 0.000) 2.319 2.592 ( 1.220 -0.000 -0.000) 1.220 2.596 ( -1.283 0.000 0.000) 1.283 3.134 ( -10.491 0.000 0.000) 10.491 3.847 ( 0.732 -0.000 -0.000) 0.732 6.150 ( -6.498 0.000 0.000) 6.498 6.256 ( -3.246 0.000 0.000) 3.246 6.588 ( 3.190 -0.000 -0.000) 3.190 7.039 ( -1.153 0.000 0.000) 1.153 7.098 ( 1.117 -0.000 -0.000) 1.117 8.042 ( 4.623 -0.000 -0.000) 4.623 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 0.000 -0.100 -4.158) 4.160 2.156 ( -0.000 12.832 3.376) 13.269 2.173 ( -0.000 9.816 -3.051) 10.279 2.566 ( 0.000 0.635 -6.820) 6.850 2.902 ( -0.000 -5.509 2.512) 6.055 3.613 ( -0.000 19.468 5.865) 20.332 5.810 ( -0.000 8.301 0.331) 8.307 6.214 ( -0.000 2.076 -0.111) 2.079 6.355 ( -0.000 0.792 -0.154) 0.806 6.886 ( 0.000 -5.637 -4.240) 7.053 7.408 ( 0.000 -8.978 0.335) 8.984 8.374 ( 0.000 -2.326 -1.039) 2.548 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.998 1.473 -3.472) 3.901 2.231 ( 1.215 4.352 -4.170) 6.149 2.343 ( 6.464 10.048 0.934) 11.984 2.565 ( 1.542 0.962 -4.763) 5.098 2.865 ( -0.122 -4.808 4.949) 6.901 3.808 ( 0.501 15.481 4.039) 16.007 5.923 ( 4.208 7.202 0.716) 8.372 6.219 ( -2.217 3.562 -0.947) 4.301 6.399 ( 3.419 1.793 -0.452) 3.887 6.828 ( 1.512 -6.721 -2.523) 7.337 7.316 ( -1.384 -7.388 -0.117) 7.517 8.317 ( -3.959 -1.593 -0.939) 4.369 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 4.656 3.790 -0.792) 6.055 2.277 ( 3.208 0.889 -4.590) 5.670 2.534 ( 3.049 6.017 2.378) 7.152 2.637 ( 7.575 4.623 -3.828) 9.665 2.832 ( 0.990 -5.034 4.542) 6.852 3.928 ( -2.058 9.417 1.648) 9.779 6.077 ( 5.366 5.826 1.443) 8.051 6.218 ( -1.659 4.486 -1.545) 5.027 6.478 ( 3.615 1.444 -1.651) 4.228 6.804 ( 4.275 -6.020 -0.779) 7.425 7.225 ( -2.002 -5.139 -0.189) 5.519 8.215 ( -6.273 -0.836 -0.697) 6.367 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 5.938 5.061 0.889) 7.853 2.334 ( 4.053 0.644 -2.617) 4.867 2.589 ( 0.522 1.605 1.051) 1.988 2.718 ( -2.990 -0.257 1.333) 3.284 2.961 ( 15.463 2.501 0.429) 15.670 3.922 ( -6.208 3.386 -0.288) 7.077 6.191 ( 1.748 4.476 0.624) 4.846 6.254 ( 1.647 3.302 -0.215) 3.696 6.503 ( -0.281 -1.502 -2.314) 2.773 6.881 ( 9.450 -1.511 0.048) 9.570 7.156 ( -1.806 -2.304 0.010) 2.927 8.095 ( -6.673 -0.844 -0.369) 6.736 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 4.036 2.990 0.045) 5.023 2.413 ( 4.005 2.687 -0.165) 4.826 2.601 ( -0.471 -1.111 0.719) 1.405 2.636 ( -4.486 -1.706 0.608) 4.838 3.274 ( 16.281 4.855 0.307) 16.992 3.791 ( -9.998 -1.439 -0.823) 10.134 6.253 ( 1.231 3.642 -0.508) 3.878 6.310 ( 2.692 0.601 1.151) 2.989 6.444 ( -3.083 -2.610 -1.435) 4.286 7.045 ( 8.391 1.480 -0.370) 8.529 7.121 ( -1.121 -0.106 0.388) 1.191 7.983 ( -4.844 -1.401 -0.124) 5.044 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.214 -0.000 -0.000) 1.214 2.494 ( -7.021 0.000 0.000) 7.021 2.508 ( 3.922 -0.000 -0.000) 3.922 2.613 ( -0.166 0.000 0.000) 0.166 3.571 ( -13.474 0.000 0.000) 13.474 3.573 ( 14.437 -0.000 -0.000) 14.437 6.286 ( 0.742 -0.000 -0.000) 0.742 6.351 ( -5.237 0.000 0.000) 5.237 6.389 ( 5.543 -0.000 -0.000) 5.543 7.105 ( -1.014 0.000 0.000) 1.014 7.139 ( 0.975 -0.000 -0.000) 0.975 7.930 ( 0.101 -0.000 -0.000) 0.101 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 -0.170 -3.850) 3.854 2.196 ( 0.000 -2.212 -10.461) 10.692 2.381 ( -0.000 8.224 2.635) 8.636 2.566 ( -0.000 2.821 -0.805) 2.934 2.849 ( -0.000 -2.958 5.119) 5.912 3.958 ( -0.000 12.762 3.615) 13.264 5.944 ( -0.000 5.078 0.300) 5.087 6.281 ( -0.000 4.958 -1.567) 5.200 6.383 ( -0.000 1.995 -0.125) 1.998 6.745 ( 0.000 -6.954 -0.692) 6.988 7.260 ( 0.000 -6.029 -0.709) 6.071 8.335 ( 0.000 -1.203 -0.703) 1.393 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 4.433 1.210 -1.545) 4.848 2.173 ( 4.135 -3.546 -7.900) 9.596 2.508 ( 6.317 5.675 1.316) 8.593 2.595 ( 0.256 2.457 -0.068) 2.471 2.827 ( -1.287 -2.249 3.751) 4.559 4.055 ( -1.802 8.031 2.104) 8.495 6.031 ( 5.077 3.532 0.418) 6.199 6.296 ( -2.613 4.580 -1.719) 5.547 6.435 ( 2.976 2.006 -0.648) 3.647 6.694 ( 1.760 -6.164 0.625) 6.441 7.201 ( -0.818 -4.046 -0.709) 4.188 8.292 ( -3.656 -0.595 -0.467) 3.733 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 7.388 3.486 1.664) 8.337 2.214 ( 6.672 -3.252 -4.679) 8.774 2.608 ( -0.279 1.403 0.645) 1.569 2.716 ( 11.693 3.620 -1.559) 12.339 2.785 ( -1.512 -2.404 3.045) 4.164 4.056 ( -5.116 3.151 0.516) 6.031 6.160 ( 5.927 2.094 0.525) 6.308 6.287 ( -1.963 2.624 -0.951) 3.412 6.484 ( 1.180 0.162 -0.987) 1.547 6.716 ( 6.788 -2.697 0.689) 7.337 7.156 ( -0.930 -1.724 -0.342) 1.989 8.204 ( -6.248 -0.170 -0.205) 6.254 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 5.283 -0.000 -0.000) 5.283 2.314 ( 7.910 -0.000 -0.000) 7.910 2.608 ( -0.406 0.000 0.000) 0.406 2.712 ( -4.656 0.000 0.000) 4.656 2.996 ( 17.652 -0.000 -0.000) 17.652 3.953 ( -8.686 0.000 0.000) 8.686 6.253 ( 3.809 -0.000 -0.000) 3.809 6.274 ( -0.760 0.000 0.000) 0.760 6.474 ( -1.672 0.000 0.000) 1.672 6.868 ( 11.573 -0.000 -0.000) 11.573 7.135 ( -0.725 0.000 0.000) 0.725 8.086 ( -7.275 0.000 0.000) 7.275 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 -0.059 -1.431) 1.433 2.085 ( 0.000 -2.440 -4.664) 5.264 2.499 ( -0.000 2.816 0.888) 2.953 2.616 ( -0.000 1.541 0.249) 1.561 2.831 ( -0.000 -1.057 1.877) 2.154 4.138 ( -0.000 4.330 1.281) 4.516 6.008 ( -0.000 1.554 0.092) 1.557 6.365 ( 0.000 3.824 -1.788) 4.221 6.417 ( -0.000 1.115 -0.023) 1.115 6.630 ( 0.000 -4.376 1.168) 4.529 7.175 ( 0.000 -2.168 -0.523) 2.230 8.318 ( 0.000 -0.329 -0.241) 0.408 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 7.415 -0.000 -0.000) 7.415 2.095 ( 3.438 -0.000 -0.000) 3.438 2.568 ( 6.485 -0.000 -0.000) 6.485 2.622 ( -0.281 0.000 0.000) 0.281 2.816 ( -1.540 0.000 0.000) 1.540 4.139 ( -2.618 0.000 0.000) 2.618 6.066 ( 5.488 -0.000 -0.000) 5.488 6.343 ( -2.972 0.000 0.000) 2.972 6.456 ( 2.325 -0.000 -0.000) 2.325 6.626 ( 2.375 -0.000 -0.000) 2.375 7.159 ( -0.567 0.000 0.000) 0.567 8.286 ( -3.518 0.000 0.000) 3.518 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( -0.000 0.000 23.901) 23.901 0.212 ( -0.000 0.000 23.901) 23.901 0.367 ( -0.000 0.000 41.564) 41.564 2.139 ( 0.000 -0.000 -1.881) 1.881 2.139 ( 0.000 -0.000 -1.881) 1.881 4.094 ( 0.000 -0.000 -5.256) 5.256 5.244 ( 0.000 0.000 -0.033) 0.033 5.244 ( 0.000 -0.000 -0.033) 0.033 6.477 ( -0.000 0.000 0.069) 0.069 6.477 ( -0.000 0.000 0.069) 0.069 8.255 ( -0.000 0.000 1.318) 1.318 8.643 ( 0.000 -0.000 -0.511) 0.511 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 14.708 8.492 7.228) 18.458 0.475 ( 13.268 7.661 14.140) 20.849 1.011 ( 32.561 18.799 21.367) 43.246 2.152 ( 1.004 0.580 -1.217) 1.681 2.170 ( 3.800 2.194 -3.804) 5.808 3.638 ( -5.903 -3.408 1.917) 7.081 5.276 ( 2.588 1.494 0.374) 3.011 6.456 ( -2.101 -1.213 0.147) 2.430 6.459 ( -1.444 -0.834 -0.120) 1.671 6.766 ( 27.472 15.861 -47.515) 57.131 8.195 ( -6.407 -3.699 3.704) 8.273 8.539 ( -3.084 -1.781 1.628) 3.916 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 17.128 9.889 0.910) 19.799 0.838 ( 16.301 9.411 3.392) 19.126 1.785 ( 31.327 18.087 14.906) 39.124 2.177 ( 1.468 0.847 -0.462) 1.757 2.273 ( 6.412 3.702 -5.932) 9.487 3.536 ( -3.834 -2.214 -1.805) 4.781 5.361 ( 4.886 2.821 0.631) 5.677 6.382 ( -4.396 -2.538 -0.161) 5.079 6.417 ( -2.119 -1.223 -0.269) 2.462 7.036 ( 10.162 5.867 -16.807) 20.498 8.020 ( -9.856 -5.691 4.696) 12.312 8.473 ( -3.264 -1.885 -3.753) 5.319 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 16.661 9.619 -1.573) 19.303 1.206 ( 16.374 9.454 -2.874) 19.124 2.214 ( 1.885 1.088 0.425) 2.217 2.391 ( 8.053 4.650 1.068) 9.360 2.481 ( 24.582 14.193 1.225) 28.412 3.460 ( -2.512 -1.450 1.248) 3.158 5.494 ( 6.778 3.913 0.721) 7.860 6.271 ( -5.045 -2.913 -0.605) 5.857 6.370 ( -1.784 -1.030 -0.361) 2.092 7.179 ( 5.689 3.284 -6.138) 8.990 7.794 ( -11.474 -6.625 3.959) 13.828 8.370 ( -4.292 -2.478 -6.149) 7.898 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 14.378 8.301 -3.075) 16.885 1.544 ( 15.170 8.758 -6.732) 18.766 2.264 ( 2.310 1.334 1.444) 3.033 2.520 ( 5.521 3.188 -4.209) 7.639 2.945 ( 13.237 7.642 0.617) 15.297 3.470 ( 3.632 2.097 7.423) 8.526 5.659 ( 7.576 4.374 0.683) 8.774 6.174 ( -2.960 -1.709 -1.056) 3.577 6.342 ( -0.562 -0.324 -0.384) 0.754 7.244 ( 1.064 0.614 -2.069) 2.407 7.532 ( -12.839 -7.412 2.046) 14.965 8.272 ( -2.326 -1.343 -5.647) 6.253 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 10.548 6.090 -3.955) 12.805 1.840 ( 13.278 7.666 -8.302) 17.435 2.325 ( 2.699 1.558 2.355) 3.907 2.617 ( 4.122 2.380 -3.236) 5.756 3.062 ( -0.716 -0.413 1.772) 1.955 3.658 ( 8.980 5.184 6.697) 12.343 5.823 ( 6.590 3.805 0.534) 7.628 6.149 ( 1.224 0.707 -1.473) 2.042 6.346 ( 1.009 0.582 -0.307) 1.205 7.215 ( -5.664 -3.270 3.884) 7.607 7.242 ( -10.299 -5.946 -5.083) 12.934 8.244 ( 0.760 0.439 -2.940) 3.068 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.202 3.581 -3.768) 8.092 2.087 ( 10.948 6.321 -7.893) 14.904 2.392 ( 2.389 1.379 2.529) 3.742 2.678 ( 1.814 1.047 -2.097) 2.964 3.006 ( -4.058 -2.343 3.853) 6.067 3.837 ( 5.263 3.038 3.853) 7.195 5.944 ( 4.070 2.350 0.303) 4.710 6.222 ( 5.591 3.228 -1.742) 6.687 6.380 ( 1.860 1.074 -0.144) 2.153 6.932 ( -13.209 -7.627 0.579) 15.264 7.163 ( -2.219 -1.281 -1.859) 3.165 8.271 ( 1.721 0.994 -0.867) 2.168 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 2.655 1.533 -2.388) 3.886 2.275 ( 7.228 4.173 -5.384) 9.933 2.434 ( 0.522 0.301 1.730) 1.832 2.680 ( -0.949 -0.548 -0.708) 1.304 2.931 ( -3.038 -1.754 1.337) 3.754 3.918 ( 1.266 0.731 3.039) 3.372 6.004 ( 1.273 0.735 0.110) 1.475 6.377 ( 8.274 4.777 -1.724) 9.708 6.414 ( 0.952 0.550 -0.011) 1.099 6.663 ( -10.495 -6.059 0.904) 12.152 7.128 ( -0.478 -0.276 -0.413) 0.690 8.301 ( 0.838 0.484 -0.079) 0.971 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.335 -0.193 -0.127) 0.407 2.340 ( -1.673 -0.966 1.664) 2.549 2.418 ( -2.181 -1.259 0.167) 2.524 2.677 ( 1.816 1.049 -1.239) 2.436 2.881 ( -1.022 -0.590 -3.893) 4.068 3.913 ( -2.618 -1.511 2.478) 3.909 6.003 ( -1.401 -0.809 -0.016) 1.618 6.405 ( -7.426 -4.287 1.245) 8.665 6.415 ( -0.896 -0.518 0.051) 1.036 6.641 ( 10.075 5.817 -1.502) 11.731 7.142 ( 1.675 0.967 1.093) 2.222 8.305 ( -0.365 -0.211 0.447) 0.614 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -4.412 -2.547 3.126) 5.978 2.226 ( -8.894 -5.135 7.350) 12.629 2.346 ( -3.585 -2.070 -2.329) 4.750 2.710 ( -0.655 -0.378 1.596) 1.766 2.896 ( 4.927 2.844 -8.634) 10.340 3.803 ( -7.987 -4.611 0.265) 9.227 5.940 ( -4.280 -2.471 -0.191) 4.946 6.255 ( -5.645 -3.259 1.897) 6.789 6.383 ( -1.732 -1.000 0.143) 2.005 6.891 ( 11.846 6.839 -3.594) 14.143 7.209 ( 3.808 2.198 2.766) 5.194 8.296 ( -0.477 -0.276 1.780) 1.864 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -10.331 -5.964 5.984) 13.346 2.005 ( -13.041 -7.529 9.576) 17.845 2.266 ( -2.439 -1.408 -4.342) 5.175 2.657 ( -3.899 -2.251 1.197) 4.659 3.018 ( 6.310 3.643 -3.650) 8.149 3.550 ( -13.890 -8.019 -4.508) 16.660 5.813 ( -6.808 -3.931 -0.466) 7.875 6.177 ( -1.612 -0.931 1.644) 2.484 6.352 ( -0.882 -0.509 0.305) 1.064 7.108 ( 8.038 4.641 -6.799) 11.506 7.336 ( 7.030 4.059 4.172) 9.127 8.309 ( 1.170 0.676 3.944) 4.169 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -15.053 -8.691 7.041) 18.754 1.704 ( -16.509 -9.531 10.160) 21.601 2.213 ( -1.313 -0.758 -4.335) 4.592 2.542 ( -6.943 -4.009 -1.087) 8.091 2.995 ( -16.049 -9.266 6.006) 19.480 3.303 ( 1.590 0.918 -11.095) 11.245 5.646 ( -7.701 -4.446 -0.733) 8.923 6.193 ( 2.467 1.424 0.974) 3.011 6.350 ( 0.603 0.348 0.441) 0.825 7.197 ( 2.162 1.248 -6.348) 6.822 7.540 ( 9.774 5.643 2.144) 11.487 8.374 ( 3.259 1.881 5.181) 6.403 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -17.658 -10.195 7.942) 21.882 1.335 ( -19.016 -10.979 10.082) 24.161 2.178 ( -0.815 -0.471 -3.711) 3.829 2.250 ( -21.943 -12.669 -6.839) 26.244 2.577 ( -15.260 -8.810 4.564) 18.202 3.413 ( 6.651 3.840 -3.601) 8.482 5.479 ( -6.765 -3.906 -0.868) 7.860 6.278 ( 4.625 2.670 0.206) 5.345 6.378 ( 1.737 1.003 0.481) 2.062 7.190 ( -0.917 -0.529 -4.956) 5.068 7.766 ( 9.973 5.758 0.828) 11.545 8.467 ( 3.350 1.934 4.172) 5.689 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -18.654 -10.770 9.760) 23.648 0.925 ( -20.119 -11.616 10.338) 25.428 1.581 ( -33.337 -19.247 -5.669) 38.910 2.154 ( -0.439 -0.253 -3.084) 3.125 2.349 ( -8.139 -4.699 2.002) 9.609 3.537 ( 4.891 2.824 -1.436) 5.827 5.348 ( -4.709 -2.719 -0.784) 5.493 6.381 ( 4.180 2.413 -0.301) 4.836 6.423 ( 2.000 1.155 0.415) 2.347 7.139 ( -2.036 -1.175 -7.055) 7.436 7.984 ( 9.204 5.314 1.326) 10.710 8.530 ( 1.282 0.740 2.096) 2.566 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 23.617 8.017) 24.941 0.635 ( -0.000 18.429 17.626) 25.501 0.948 ( -0.000 28.991 24.846) 38.181 2.111 ( 0.000 -0.517 -4.246) 4.277 2.195 ( -0.000 6.103 -2.090) 6.451 3.640 ( 0.000 -8.834 1.198) 8.914 5.264 ( -0.000 2.456 -0.398) 2.488 6.446 ( 0.000 -1.864 -1.591) 2.451 6.465 ( 0.000 -1.399 0.271) 1.425 6.618 ( 0.000 36.866 -45.835) 58.821 8.205 ( -0.000 -7.160 3.515) 7.976 8.562 ( -0.000 -2.487 1.398) 2.853 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -1.741 17.953 16.796) 24.647 0.882 ( 4.689 24.483 2.008) 25.009 1.561 ( 24.159 25.390 16.412) 38.700 2.123 ( 3.388 -0.405 -4.122) 5.350 2.264 ( 0.980 7.968 -3.326) 8.690 3.544 ( -2.088 -5.279 -2.960) 6.402 5.324 ( 3.289 3.650 0.034) 4.913 6.402 ( -1.867 -3.993 -0.480) 4.434 6.436 ( -1.447 -1.535 0.158) 2.115 6.876 ( 10.138 13.594 -24.532) 29.823 8.089 ( -5.107 -9.311 4.645) 11.591 8.512 ( -3.547 -1.000 -1.903) 4.148 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 7.122 15.050 9.813) 19.327 1.205 ( 6.724 21.990 -2.105) 23.092 2.150 ( 8.950 3.812 -2.295) 9.995 2.262 ( 18.205 14.383 11.896) 26.073 2.364 ( 3.825 10.605 -6.920) 13.228 3.462 ( -1.087 -4.153 -1.754) 4.637 5.439 ( 5.275 5.104 0.481) 7.356 6.308 ( -3.798 -4.526 -0.621) 5.941 6.396 ( -1.860 -0.655 -0.113) 1.975 7.068 ( 8.488 5.138 -11.490) 15.181 7.898 ( -8.261 -9.497 4.754) 13.455 8.413 ( -5.324 -1.835 -4.734) 7.357 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 10.673 11.854 3.632) 16.360 1.512 ( 7.512 18.721 -4.839) 20.744 2.242 ( 3.568 2.454 -1.081) 4.463 2.453 ( 4.501 4.476 -4.209) 7.616 2.804 ( 16.255 14.735 2.878) 22.128 3.440 ( 2.602 -1.568 3.715) 4.799 5.596 ( 6.461 6.327 0.741) 9.073 6.201 ( -3.493 -3.539 -0.926) 5.058 6.367 ( -1.623 0.953 -0.355) 1.915 7.187 ( 5.050 0.711 -5.646) 7.609 7.662 ( -10.706 -9.123 3.982) 14.619 8.291 ( -4.319 -2.139 -5.530) 7.335 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 10.850 8.863 -0.631) 14.024 1.784 ( 7.093 15.231 -6.116) 17.880 2.323 ( 2.254 4.308 0.856) 4.937 2.555 ( 4.707 2.906 -3.720) 6.666 3.053 ( 3.334 3.049 -0.052) 4.518 3.575 ( 9.007 4.341 6.933) 12.168 5.771 ( 6.143 6.804 0.846) 9.206 6.137 ( -0.577 -1.282 -1.277) 1.899 6.362 ( -0.817 2.637 -0.489) 2.803 7.212 ( 0.680 -2.124 -4.679) 5.183 7.389 ( -12.896 -8.295 3.076) 15.639 8.219 ( -0.198 -1.539 -3.583) 3.905 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 8.362 6.339 -2.381) 10.760 2.007 ( 6.451 11.662 -6.675) 14.906 2.405 ( 1.271 5.283 1.984) 5.785 2.638 ( 3.491 1.623 -2.488) 4.584 3.054 ( -2.666 -1.566 2.178) 3.782 3.779 ( 7.139 3.724 4.455) 9.202 5.924 ( 3.955 6.372 0.762) 7.538 6.158 ( 3.686 1.214 -1.586) 4.192 6.386 ( 0.146 3.583 -0.447) 3.614 7.080 ( -12.157 -7.327 -2.526) 14.417 7.180 ( -2.874 -2.172 0.444) 3.629 8.225 ( 2.811 -1.394 -1.225) 3.368 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 3.819 4.528 -2.489) 6.425 2.193 ( 6.608 8.000 -6.128) 12.051 2.469 ( -0.554 4.928 2.257) 5.449 2.679 ( 0.781 0.403 -1.553) 1.785 2.979 ( -4.279 -2.012 1.762) 5.046 3.900 ( 3.334 1.119 3.547) 4.994 6.023 ( 0.690 5.463 0.466) 5.526 6.265 ( 7.071 2.074 -1.557) 7.532 6.429 ( 0.738 3.887 -0.358) 3.973 6.804 ( -12.189 -5.404 -0.173) 13.335 7.134 ( -1.051 -0.835 -0.557) 1.453 8.259 ( 3.023 -1.996 -0.185) 3.627 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.337 2.664 -1.497) 3.074 2.329 ( 3.595 3.638 -3.179) 6.022 2.483 ( -3.428 3.075 1.864) 4.968 2.675 ( -0.614 0.977 -1.046) 1.557 2.898 ( -3.274 -1.192 -1.877) 3.957 3.938 ( -0.283 -0.798 3.682) 3.778 6.054 ( -2.536 3.966 0.170) 4.710 6.366 ( 2.953 -2.394 -0.304) 3.814 6.496 ( 0.446 3.711 -0.844) 3.832 6.607 ( -4.079 1.412 0.444) 4.340 7.129 ( 0.809 0.359 0.436) 0.987 8.278 ( 1.951 -2.797 0.171) 3.415 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -2.621 -0.366 0.732) 2.746 2.331 ( -4.663 -1.260 3.098) 5.738 2.427 ( -5.944 1.693 0.164) 6.183 2.702 ( 1.684 1.396 -0.073) 2.189 2.849 ( 0.005 1.497 -7.204) 7.358 3.887 ( -5.376 -2.717 2.697) 6.600 6.016 ( -5.260 1.527 -0.014) 5.478 6.306 ( -4.225 -4.893 1.235) 6.581 6.439 ( -4.312 1.887 0.397) 4.724 6.767 ( 10.060 7.904 -2.545) 13.045 7.170 ( 3.065 0.940 1.729) 3.643 8.276 ( 1.354 -3.087 0.934) 3.498 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -7.097 -5.416 4.386) 9.947 2.195 ( -10.625 -2.243 6.076) 12.443 2.334 ( -6.349 2.161 -2.518) 7.164 2.689 ( -2.328 -2.686 1.328) 3.795 2.928 ( 6.851 5.379 -7.403) 11.431 3.705 ( -12.585 -5.288 -0.037) 13.651 5.910 ( -7.581 -0.918 -0.182) 7.639 6.204 ( -3.106 -2.800 1.511) 4.446 6.398 ( -3.392 2.310 0.362) 4.120 6.998 ( 9.308 6.760 -5.480) 12.742 7.262 ( 5.957 1.266 3.304) 6.928 8.283 ( 2.287 -2.262 2.485) 4.065 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -12.586 -9.946 7.000) 17.502 1.974 ( -15.429 -1.888 6.472) 16.838 2.256 ( -4.597 2.695 -3.883) 6.593 2.602 ( -4.738 -3.584 0.033) 5.941 3.087 ( 5.734 4.427 0.348) 7.252 3.366 ( -18.027 -7.453 -5.709) 20.325 5.752 ( -8.988 -2.257 -0.374) 9.275 6.172 ( 0.788 -0.545 1.067) 1.434 6.375 ( -2.042 2.282 0.372) 3.085 7.145 ( 4.268 3.406 -6.913) 8.809 7.422 ( 9.704 2.468 3.141) 10.494 8.332 ( 4.181 -0.704 3.662) 5.602 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -16.268 -12.220 7.904) 21.828 1.683 ( -19.725 -1.218 5.834) 20.606 2.205 ( -3.139 2.213 -3.684) 5.322 2.440 ( -11.307 -4.636 -1.703) 12.338 2.846 ( -24.924 -7.378 2.332) 26.098 3.303 ( 8.585 2.923 -4.674) 10.202 5.577 ( -8.723 -2.214 -0.479) 9.012 6.220 ( 4.212 0.890 0.370) 4.320 6.377 ( -0.122 1.674 0.339) 1.713 7.181 ( 0.310 1.120 -5.833) 5.948 7.633 ( 11.131 2.804 1.732) 11.609 8.419 ( 4.930 0.042 2.894) 5.717 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -17.862 -11.945 8.776) 23.211 1.325 ( -23.004 -1.903 3.462) 23.341 2.026 ( -31.774 -4.706 0.333) 32.122 2.171 ( -2.048 1.663 -3.138) 4.100 2.476 ( -12.240 -4.061 0.412) 12.903 3.454 ( 7.052 2.037 -1.781) 7.553 5.426 ( -7.061 -1.094 -0.370) 7.154 6.315 ( 5.431 1.007 -0.183) 5.526 6.402 ( 1.459 0.709 0.252) 1.642 7.154 ( -2.323 0.754 -6.661) 7.094 7.850 ( 11.265 2.000 1.932) 11.603 8.496 ( 3.586 -0.629 0.629) 3.694 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 23.028 6.291) 23.872 1.090 ( -0.000 18.906 13.676) 23.334 1.668 ( -0.000 32.117 15.160) 35.515 2.071 ( 0.000 -0.388 -6.133) 6.145 2.335 ( 0.000 9.675 -3.564) 10.311 3.490 ( 0.000 -6.649 -4.047) 7.784 5.336 ( -0.000 5.342 -0.417) 5.358 6.373 ( 0.000 -4.598 -0.555) 4.631 6.430 ( 0.000 -2.258 0.290) 2.277 6.863 ( 0.000 13.295 -20.332) 24.293 8.042 ( -0.000 -11.366 4.263) 12.139 8.530 ( 0.000 -1.306 -2.057) 2.437 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -3.878 19.346 14.684) 24.595 1.350 ( 2.379 22.360 0.631) 22.495 2.062 ( 5.002 6.153 -5.008) 9.379 2.173 ( 13.701 18.321 10.912) 25.346 2.426 ( 0.804 12.385 -6.000) 13.785 3.412 ( -0.038 -6.215 -2.992) 6.898 5.423 ( 3.295 6.626 0.027) 7.400 6.308 ( -1.989 -4.964 -0.473) 5.368 6.405 ( -0.406 -1.614 0.132) 1.669 6.966 ( 5.437 6.863 -12.907) 15.597 7.908 ( -3.782 -11.695 4.084) 12.952 8.470 ( -4.276 -1.791 -3.370) 5.732 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.193 17.666 11.284) 20.963 1.598 ( 3.539 19.656 -3.150) 20.219 2.168 ( 6.771 2.873 -5.078) 8.938 2.442 ( 2.268 5.545 -0.675) 6.028 2.729 ( 13.005 20.447 0.540) 24.238 3.375 ( 2.693 -3.727 1.795) 4.936 5.568 ( 5.350 7.888 0.708) 9.557 6.216 ( -3.090 -4.150 -0.726) 5.225 6.392 ( -0.332 0.380 -0.288) 0.580 7.076 ( 6.106 1.179 -7.650) 9.859 7.723 ( -6.578 -10.937 3.913) 13.349 8.346 ( -6.214 -2.186 -4.446) 7.947 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 3.007 13.956 5.690) 15.368 1.831 ( 4.313 16.739 -4.109) 17.768 2.307 ( 5.797 5.251 -1.924) 8.055 2.515 ( 2.417 3.929 -2.806) 5.399 3.019 ( 5.323 5.973 -2.186) 8.294 3.485 ( 8.662 4.297 6.297) 11.539 5.749 ( 5.936 8.717 1.286) 10.624 6.137 ( -1.920 -2.135 -1.110) 3.079 6.401 ( -0.292 2.833 -0.823) 2.965 7.133 ( 3.708 -2.740 -5.737) 7.360 7.503 ( -9.214 -9.278 3.676) 13.583 8.221 ( -3.933 -2.240 -3.831) 5.930 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.782 10.699 2.097) 11.905 2.031 ( 3.600 13.260 -4.593) 14.487 2.440 ( 3.007 7.092 0.514) 7.721 2.589 ( 3.422 2.427 -1.984) 4.640 3.070 ( 0.129 -0.774 0.033) 0.785 3.702 ( 7.994 4.975 3.792) 10.150 5.928 ( 4.693 8.408 1.667) 9.772 6.119 ( 1.376 0.517 -1.535) 2.125 6.429 ( -0.365 4.455 -1.205) 4.629 7.108 ( -0.909 -4.762 -6.137) 7.821 7.271 ( -9.804 -5.866 3.871) 12.063 8.164 ( 0.804 -2.660 -1.777) 3.298 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 3.706 8.268 0.317) 9.066 2.182 ( 3.222 9.559 -4.672) 11.117 2.539 ( 0.254 6.377 1.972) 6.679 2.654 ( 2.464 1.485 -1.237) 3.131 3.038 ( -3.136 -0.295 0.625) 3.211 3.848 ( 4.997 1.164 2.384) 5.657 6.066 ( 2.249 6.901 1.469) 7.405 6.184 ( 4.604 2.715 -1.553) 5.566 6.463 ( -0.269 4.183 -1.276) 4.382 6.945 ( -9.923 -4.419 -2.362) 11.116 7.148 ( -2.306 -1.434 0.830) 2.839 8.171 ( 3.528 -3.691 -0.380) 5.120 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 0.268 6.035 -0.609) 6.071 2.302 ( 3.422 6.047 -3.718) 7.880 2.570 ( -2.367 2.326 2.444) 4.122 2.690 ( 0.451 1.628 -0.603) 1.794 2.971 ( -5.609 2.547 -1.692) 6.388 3.918 ( 2.771 -1.396 3.052) 4.352 6.142 ( -1.238 5.698 0.734) 5.877 6.286 ( 4.695 0.920 -0.875) 4.863 6.500 ( 1.467 2.807 -1.206) 3.389 6.750 ( -9.657 1.142 0.095) 9.725 7.127 ( -0.155 0.253 0.086) 0.308 8.192 ( 3.663 -4.761 0.022) 6.007 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -3.128 2.874 -0.193) 4.252 2.372 ( 0.211 2.156 -1.046) 2.405 2.533 ( -3.893 0.670 1.633) 4.274 2.702 ( -0.009 0.372 0.180) 0.413 2.902 ( -5.554 5.349 -4.970) 9.174 3.928 ( -0.895 -2.419 3.360) 4.235 6.130 ( -5.187 2.916 0.245) 5.955 6.311 ( -0.777 -2.969 0.245) 3.078 6.529 ( -1.870 1.736 -0.041) 2.552 6.722 ( 2.235 8.796 -1.036) 9.135 7.142 ( 1.399 0.465 0.724) 1.643 8.200 ( 3.059 -5.210 0.338) 6.051 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -6.483 -1.853 1.771) 6.972 2.335 ( -5.835 -0.050 2.120) 6.209 2.469 ( -5.980 2.549 -0.396) 6.513 2.691 ( -0.689 -2.971 1.319) 3.323 2.893 ( 0.418 7.002 -6.796) 9.767 3.843 ( -7.577 -3.187 2.105) 8.485 6.037 ( -7.508 0.351 0.237) 7.520 6.235 ( -3.607 -3.024 0.726) 4.763 6.501 ( -4.450 3.955 0.510) 5.975 6.904 ( 8.283 7.988 -3.699) 12.087 7.190 ( 3.894 -0.329 2.038) 4.407 8.206 ( 3.411 -4.433 1.100) 5.701 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -10.710 -5.559 4.125) 12.752 2.194 ( -11.061 -0.815 2.025) 11.275 2.386 ( -7.076 3.925 -1.564) 8.241 2.631 ( -2.701 -3.535 0.617) 4.492 3.004 ( 6.726 5.291 -3.965) 9.431 3.612 ( -16.417 -3.965 0.390) 16.893 5.894 ( -9.354 -0.701 0.260) 9.384 6.168 ( -1.456 -1.592 0.520) 2.220 6.460 ( -4.575 3.202 0.260) 5.590 7.084 ( 5.928 5.657 -6.037) 10.178 7.289 ( 8.069 -0.624 3.478) 8.808 8.245 ( 4.925 -2.685 1.630) 5.841 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -15.573 -6.392 4.978) 17.555 1.968 ( -15.077 -1.508 0.608) 15.165 2.303 ( -6.134 3.157 -2.113) 7.215 2.538 ( -5.223 -2.386 0.346) 5.752 3.167 ( 6.833 1.173 -5.984) 9.158 3.233 ( -22.582 -1.234 4.505) 23.060 5.722 ( -10.078 -0.710 0.255) 10.106 6.167 ( 2.274 -0.350 0.019) 2.301 6.419 ( -2.906 1.418 0.023) 3.233 7.168 ( 1.738 2.869 -4.709) 5.782 7.464 ( 11.333 0.139 2.286) 11.562 8.323 ( 6.013 -1.510 0.628) 6.232 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -18.571 -3.818 4.600) 19.510 1.656 ( -19.580 -3.111 -2.350) 19.965 2.233 ( -4.263 1.612 -1.993) 4.975 2.402 ( -11.627 1.278 2.678) 12.000 2.759 ( -25.811 -1.336 -2.016) 25.924 3.345 ( 7.554 2.236 1.236) 7.975 5.558 ( -9.055 0.293 0.338) 9.066 6.227 ( 4.979 -0.209 -0.395) 4.999 6.396 ( -0.478 -0.197 -0.088) 0.525 7.185 ( -1.087 2.371 -3.799) 4.608 7.667 ( 12.073 -0.523 2.007) 12.250 8.404 ( 5.434 -1.808 -1.816) 6.008 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 17.879 10.163) 20.566 1.536 ( -0.000 20.886 3.898) 21.247 2.026 ( 0.000 -0.182 -7.099) 7.101 2.302 ( -0.000 21.268 10.687) 23.803 2.533 ( 0.000 17.074 -8.084) 18.891 3.339 ( 0.000 -6.468 -1.366) 6.611 5.465 ( -0.000 8.005 -0.101) 8.006 6.279 ( 0.000 -4.503 -0.086) 4.504 6.387 ( 0.000 -2.096 0.115) 2.099 6.947 ( 0.000 5.068 -10.488) 11.648 7.832 ( 0.000 -12.406 3.213) 12.816 8.480 ( 0.000 -2.223 -3.195) 3.893 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -3.731 17.308 10.276) 20.471 1.737 ( 0.968 17.403 -0.428) 17.435 2.064 ( 6.309 2.376 -6.420) 9.310 2.470 ( 1.187 6.257 0.014) 6.369 2.771 ( 6.037 21.595 -3.782) 22.740 3.307 ( 2.084 -2.412 3.863) 5.009 5.577 ( 3.401 8.968 0.404) 9.600 6.221 ( -2.045 -3.469 -0.235) 4.034 6.380 ( 1.114 -0.854 -0.137) 1.411 6.983 ( 3.322 0.968 -7.302) 8.081 7.698 ( -2.747 -11.892 2.658) 12.491 8.408 ( -4.477 -2.332 -3.527) 6.158 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -2.253 12.470 4.226) 13.358 1.930 ( 2.269 16.013 0.658) 16.187 2.226 ( 8.734 6.104 -3.474) 11.208 2.522 ( 0.906 3.890 -3.525) 5.327 2.982 ( 4.084 4.353 -3.626) 6.983 3.432 ( 6.672 9.006 7.031) 13.231 5.746 ( 5.452 9.617 1.217) 11.122 6.153 ( -2.501 -1.671 -0.764) 3.103 6.408 ( 1.814 1.505 -0.821) 2.496 7.019 ( 4.073 -2.995 -5.222) 7.268 7.533 ( -4.812 -10.410 2.473) 11.731 8.281 ( -6.314 -2.057 -3.406) 7.463 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.457 10.506 2.625) 10.926 2.104 ( 1.821 12.544 -1.165) 12.729 2.423 ( 6.947 7.267 -0.531) 10.067 2.573 ( 1.911 3.876 -2.167) 4.835 3.028 ( 2.847 -2.446 -0.852) 3.849 3.656 ( 5.888 8.803 3.298) 11.093 5.936 ( 5.289 9.198 2.052) 10.807 6.115 ( -0.731 0.761 -1.362) 1.723 6.458 ( 1.411 3.477 -1.755) 4.142 7.026 ( 2.873 -4.702 -4.461) 7.090 7.355 ( -6.523 -7.818 2.484) 10.480 8.161 ( -4.119 -2.129 -2.251) 5.155 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 2.743 9.634 2.371) 10.294 2.226 ( 1.333 8.791 -2.647) 9.277 2.565 ( 3.223 3.770 0.445) 4.979 2.645 ( 1.506 4.456 0.600) 4.741 3.056 ( 2.166 0.589 -0.124) 2.248 3.793 ( 3.290 2.716 0.699) 4.323 6.086 ( 2.727 5.470 1.934) 6.411 6.155 ( 3.060 4.848 -1.152) 5.847 6.497 ( -0.021 2.884 -2.402) 3.753 6.998 ( -0.974 -2.473 -3.589) 4.466 7.197 ( -5.436 -3.898 2.251) 7.057 8.097 ( 0.086 -3.413 -0.822) 3.512 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.756 8.413 1.446) 8.570 2.312 ( 1.510 6.072 -2.505) 6.740 2.611 ( -0.282 0.458 0.733) 0.909 2.687 ( 0.580 -0.099 1.593) 1.698 3.102 ( -2.489 8.466 -1.511) 8.953 3.845 ( 3.439 -2.675 0.977) 4.465 6.177 ( 2.892 4.010 0.489) 4.968 6.252 ( 1.968 4.231 0.084) 4.667 6.497 ( -0.217 -0.252 -2.096) 2.122 6.920 ( -7.050 3.394 -0.825) 7.867 7.135 ( -0.630 -0.333 0.485) 0.862 8.082 ( 2.926 -5.222 -0.132) 5.987 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -3.478 5.911 0.541) 6.880 2.379 ( 1.354 3.549 -1.604) 4.124 2.582 ( -2.222 -1.144 1.384) 2.857 2.684 ( 0.724 -2.810 0.431) 2.933 3.101 ( -8.462 11.321 -3.037) 14.457 3.879 ( 3.941 -4.262 2.288) 6.239 6.230 ( -2.696 2.890 0.379) 3.971 6.288 ( 0.804 -0.315 -0.246) 0.898 6.508 ( 3.227 -0.464 -0.839) 3.366 6.863 ( -6.165 9.125 0.150) 11.014 7.137 ( 0.058 0.419 -0.059) 0.427 8.085 ( 3.844 -6.028 0.063) 7.149 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -7.395 1.235 0.809) 7.541 2.402 ( -1.488 1.308 -0.302) 2.004 2.549 ( -1.866 1.065 0.190) 2.157 2.665 ( 0.419 -3.471 0.789) 3.584 3.034 ( -9.032 8.700 -3.370) 12.986 3.887 ( -0.225 -3.193 1.930) 3.738 6.156 ( -6.361 -0.122 0.421) 6.376 6.268 ( -2.471 -1.380 0.034) 2.830 6.568 ( 1.747 1.839 -0.308) 2.556 6.901 ( -0.019 9.704 -1.153) 9.772 7.142 ( 1.297 -1.256 0.632) 1.913 8.097 ( 4.159 -4.953 0.289) 6.474 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -9.706 -1.873 1.637) 10.019 2.340 ( -6.609 -0.261 -0.399) 6.626 2.522 ( -4.511 3.180 -0.682) 5.562 2.631 ( -1.020 -3.454 1.564) 3.926 2.992 ( -1.617 4.941 -2.302) 5.686 3.798 ( -8.290 -2.004 0.804) 8.567 6.037 ( -7.793 -0.382 0.733) 7.837 6.197 ( -3.617 -1.103 -0.187) 3.787 6.567 ( -3.927 1.909 -0.392) 4.384 7.028 ( 5.505 6.908 -3.750) 9.597 7.172 ( 4.587 -3.011 2.596) 6.070 8.136 ( 4.904 -2.651 0.255) 5.581 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -12.704 -2.043 1.714) 12.981 2.175 ( -11.639 -1.265 -1.961) 11.871 2.439 ( -7.350 1.171 -0.420) 7.454 2.585 ( -2.306 -0.626 0.432) 2.428 3.061 ( 5.305 1.597 -0.930) 5.618 3.578 ( -16.669 0.233 1.652) 16.752 5.890 ( -9.723 -0.021 0.909) 9.765 6.148 ( -0.895 -0.333 -0.693) 1.180 6.493 ( -4.928 -0.239 -0.612) 4.971 7.150 ( 3.049 4.089 -3.734) 6.322 7.275 ( 10.389 -2.863 2.894) 11.158 8.208 ( 5.622 -1.007 -0.898) 5.782 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -16.031 0.797 0.711) 16.067 1.917 ( -16.160 -2.304 -4.665) 16.977 2.324 ( -6.030 -0.439 0.096) 6.047 2.537 ( -4.393 1.971 -0.125) 4.816 3.089 ( -7.426 -1.521 -5.796) 9.542 3.350 ( -8.725 5.166 8.744) 13.389 5.728 ( -10.006 0.909 0.880) 10.086 6.157 ( 2.411 -0.265 -0.981) 2.616 6.414 ( -2.809 -1.699 -0.532) 3.326 7.204 ( 1.004 2.418 -1.346) 2.944 7.451 ( 12.366 -2.656 1.441) 12.730 8.287 ( 5.350 -1.095 -3.222) 6.341 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.000 15.657 5.844) 16.712 1.912 ( -0.000 16.190 -0.125) 16.190 1.984 ( 0.000 0.039 -5.826) 5.826 2.507 ( 0.000 3.801 -4.359) 5.783 2.889 ( -0.000 12.442 -3.808) 13.011 3.321 ( -0.000 7.396 8.346) 11.151 5.636 ( -0.000 9.370 0.308) 9.375 6.213 ( 0.000 -1.913 -0.059) 1.913 6.356 ( 0.000 -0.950 -0.138) 0.960 6.939 ( 0.000 -0.909 -5.594) 5.668 7.611 ( 0.000 -11.655 1.513) 11.753 8.415 ( 0.000 -2.366 -3.148) 3.938 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -2.725 5.647 -4.438) 7.682 2.061 ( 0.692 12.963 5.330) 14.034 2.138 ( 8.223 9.245 -3.666) 12.905 2.522 ( 0.875 2.112 -6.183) 6.592 2.950 ( 1.207 -0.346 0.186) 1.269 3.496 ( 2.850 16.156 7.248) 17.935 5.761 ( 3.813 9.375 0.730) 10.147 6.182 ( -2.142 -0.151 -0.603) 2.230 6.374 ( 2.501 0.479 -0.467) 2.589 6.922 ( 2.011 -3.588 -3.767) 5.578 7.490 ( -1.872 -10.465 0.840) 10.665 8.347 ( -4.296 -1.921 -2.826) 5.489 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 1.694 6.270 -1.779) 6.734 2.185 ( 1.375 8.030 -0.332) 8.154 2.373 ( 8.250 10.037 0.336) 12.996 2.558 ( 2.840 2.838 -4.466) 6.006 2.948 ( 1.696 -4.586 2.335) 5.418 3.707 ( 2.155 13.327 3.429) 13.929 5.937 ( 5.713 8.889 1.490) 10.671 6.148 ( -2.128 1.790 -1.262) 3.054 6.437 ( 3.400 2.064 -1.427) 4.225 6.912 ( 3.165 -5.296 -2.409) 6.623 7.358 ( -3.073 -8.500 0.626) 9.060 8.232 ( -6.239 -1.275 -2.122) 6.712 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 4.130 7.416 0.724) 8.520 2.270 ( 1.742 5.451 -1.943) 6.043 2.544 ( 3.027 3.910 1.338) 5.123 2.662 ( 3.623 6.130 -0.849) 7.171 2.967 ( 6.193 -2.872 1.602) 7.012 3.821 ( -1.041 6.771 0.224) 6.854 6.101 ( 2.917 5.686 1.911) 6.670 6.160 ( 1.508 5.039 -1.320) 5.423 6.497 ( 1.646 1.482 -2.572) 3.394 6.926 ( 4.608 -3.280 -1.470) 5.844 7.233 ( -3.580 -5.662 0.765) 6.743 8.116 ( -5.214 -1.448 -1.130) 5.528 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 3.448 7.422 1.243) 8.277 2.341 ( 1.419 4.725 -1.289) 5.099 2.602 ( 1.515 0.806 0.400) 1.762 2.694 ( -1.958 -1.605 1.930) 3.183 3.137 ( 8.940 7.595 0.149) 11.732 3.812 ( -2.894 -0.496 -1.029) 3.111 6.171 ( 1.838 4.089 -0.158) 4.486 6.263 ( 2.705 4.623 0.986) 5.447 6.491 ( -1.091 -1.834 -2.524) 3.305 6.992 ( 3.016 2.767 -1.202) 4.266 7.146 ( -2.031 -2.291 1.021) 3.227 8.028 ( -2.263 -3.094 -0.377) 3.852 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.180 6.165 0.389) 6.180 2.398 ( 0.128 4.363 -0.111) 4.366 2.605 ( -2.212 -1.840 0.665) 2.953 2.637 ( 0.673 -4.187 0.614) 4.285 3.323 ( -1.519 13.626 -1.052) 13.751 3.753 ( 2.525 -7.247 0.270) 7.679 6.248 ( 2.439 3.330 -0.337) 4.141 6.317 ( -1.363 2.157 0.779) 2.668 6.444 ( 1.095 -3.380 -1.261) 3.770 7.032 ( -3.249 6.536 -0.030) 7.300 7.137 ( 0.779 0.179 -0.027) 0.800 7.981 ( 1.280 -4.616 -0.064) 4.791 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -7.169 2.588 0.489) 7.637 2.424 ( -0.228 1.523 -0.312) 1.571 2.566 ( 0.619 -0.727 0.643) 1.151 2.622 ( 0.531 -2.587 0.127) 2.644 3.296 ( -12.338 8.077 -1.294) 14.803 3.794 ( 7.291 -4.451 0.761) 8.576 6.256 ( -5.763 -0.110 0.253) 5.769 6.287 ( -0.310 0.543 -0.085) 0.631 6.495 ( 6.137 -0.323 -0.642) 6.179 7.039 ( -3.831 7.548 0.404) 8.474 7.125 ( -1.163 -2.019 -0.399) 2.364 7.986 ( 3.881 -3.313 0.008) 5.103 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -9.579 -0.580 0.640) 9.618 2.409 ( -2.504 -0.312 -1.425) 2.898 2.591 ( -0.772 3.088 -0.038) 3.184 2.606 ( 0.830 -2.924 1.882) 3.575 3.134 ( -10.533 1.606 0.026) 10.655 3.845 ( 0.796 -0.957 -0.447) 1.322 6.152 ( -6.395 -0.130 0.538) 6.419 6.255 ( -3.357 -0.049 -0.194) 3.363 6.582 ( 3.135 -0.054 -1.324) 3.404 7.035 ( -1.486 1.422 -0.718) 2.179 7.101 ( 1.399 -1.097 0.844) 1.968 8.041 ( 4.576 -0.201 -0.182) 4.584 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -10.423 -0.109 0.063) 10.424 2.314 ( -7.218 -1.263 -3.003) 7.918 2.545 ( -4.892 -2.087 1.378) 5.495 2.619 ( -0.923 2.428 0.392) 2.627 3.031 ( -1.441 -0.944 1.893) 2.559 3.787 ( -7.393 0.908 -0.331) 7.456 6.040 ( -7.646 0.126 1.015) 7.714 6.190 ( -3.894 0.671 -1.011) 4.079 6.556 ( -3.803 -2.243 -1.507) 4.665 7.077 ( 8.282 -3.835 0.038) 9.127 7.137 ( 2.040 1.239 0.112) 2.390 8.125 ( 4.325 1.826 -1.009) 4.802 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -12.221 2.574 -1.559) 12.586 2.124 ( -12.403 -1.602 -5.292) 13.579 2.419 ( -6.667 -2.681 1.771) 7.401 2.615 ( -2.555 2.956 -1.108) 4.061 3.056 ( 3.468 -1.859 1.759) 4.310 3.637 ( -12.601 3.933 3.037) 13.545 5.902 ( -9.223 0.525 1.118) 9.305 6.148 ( -1.484 1.068 -1.583) 2.419 6.449 ( -4.300 -3.135 -0.956) 5.407 7.181 ( 4.184 -2.305 3.616) 5.991 7.217 ( 10.477 -1.733 -3.442) 11.164 8.205 ( 3.530 1.806 -2.609) 4.747 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 0.656 -6.189) 6.224 2.124 ( 0.000 6.991 -7.940) 10.579 2.195 ( -0.000 11.862 4.842) 12.812 2.513 ( 0.000 1.928 -4.821) 5.192 2.934 ( -0.000 -2.863 4.519) 5.350 3.665 ( -0.000 17.883 5.878) 18.825 5.814 ( -0.000 8.286 0.479) 8.300 6.209 ( 0.000 1.779 -1.076) 2.079 6.353 ( -0.000 0.803 -0.259) 0.844 6.858 ( 0.000 -4.751 -1.956) 5.138 7.408 ( 0.000 -9.474 -0.302) 9.479 8.359 ( 0.000 -1.641 -2.325) 2.845 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.034 2.323 -3.866) 4.948 2.173 ( 3.670 1.481 -8.525) 9.399 2.358 ( 5.545 10.326 2.330) 11.950 2.537 ( 0.966 3.008 -1.730) 3.603 2.911 ( -0.502 -4.176 5.409) 6.852 3.841 ( -0.127 14.451 3.426) 14.852 5.929 ( 4.530 7.127 0.675) 8.472 6.207 ( -2.260 3.273 -1.655) 4.308 6.394 ( 3.054 1.788 -0.653) 3.599 6.815 ( 1.432 -5.823 -0.426) 6.011 7.312 ( -1.182 -7.725 -0.805) 7.857 8.305 ( -3.948 -0.988 -1.718) 4.417 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.612 4.618 -0.453) 7.282 2.232 ( 5.023 0.133 -5.708) 7.604 2.555 ( 2.553 5.530 2.275) 6.502 2.610 ( 7.816 5.503 -2.413) 9.859 2.875 ( 0.366 -4.947 4.981) 7.029 3.938 ( -2.874 8.918 0.733) 9.399 6.088 ( 5.814 5.582 1.148) 8.141 6.203 ( -1.603 4.528 -1.757) 5.114 6.464 ( 2.968 1.460 -1.608) 3.678 6.803 ( 4.170 -5.222 0.547) 6.705 7.221 ( -1.684 -5.332 -0.714) 5.637 8.207 ( -6.207 -0.388 -1.003) 6.299 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 5.864 5.220 0.892) 7.901 2.311 ( 5.362 0.881 -2.647) 6.044 2.598 ( 0.374 1.340 0.873) 1.643 2.727 ( -1.977 -0.066 0.531) 2.048 2.972 ( 14.325 1.828 2.020) 14.581 3.917 ( -6.736 3.481 -0.983) 7.646 6.193 ( 1.004 4.233 -0.071) 4.351 6.254 ( 2.780 3.429 0.187) 4.419 6.485 ( -0.459 -0.871 -1.762) 2.018 6.883 ( 9.008 -1.284 0.325) 9.105 7.155 ( -1.438 -2.432 -0.168) 2.830 8.092 ( -6.605 -0.600 -0.421) 6.645 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 3.738 2.781 0.014) 4.659 2.411 ( 4.641 2.939 -0.303) 5.501 2.606 ( -0.270 -1.191 0.462) 1.305 2.641 ( -4.882 -2.530 0.478) 5.519 3.279 ( 16.199 4.604 0.812) 16.860 3.783 ( -10.050 -0.840 -1.026) 10.137 6.249 ( 1.260 3.690 -0.423) 3.922 6.319 ( 2.923 0.212 0.810) 3.041 6.434 ( -3.216 -1.669 -0.884) 3.730 7.041 ( 7.889 1.774 -0.510) 8.102 7.125 ( -0.647 -0.402 0.517) 0.920 7.982 ( -4.807 -1.292 -0.109) 4.979 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 1.107 0.483 0.000) 1.208 2.494 ( -6.548 -3.276 0.013) 7.322 2.508 ( 3.723 2.040 -0.015) 4.245 2.613 ( -0.157 -0.093 0.002) 0.183 3.571 ( -13.329 2.422 0.052) 13.548 3.573 ( 14.210 -2.025 -0.052) 14.354 6.286 ( 0.701 0.363 0.052) 0.791 6.350 ( -4.513 -1.415 -0.149) 4.732 6.390 ( 4.764 1.455 0.097) 4.983 7.105 ( -0.873 -0.168 -0.006) 0.889 7.139 ( 0.844 0.183 0.005) 0.864 7.930 ( 0.092 0.040 -0.000) 0.100 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -7.317 -3.210 0.000) 7.990 2.422 ( -0.415 -0.889 -0.567) 1.133 2.567 ( 1.499 -0.230 0.739) 1.687 2.622 ( 0.388 2.595 0.126) 2.627 3.319 ( -11.946 -6.216 1.165) 13.517 3.776 ( 6.878 3.212 -1.202) 7.686 6.255 ( -5.532 -0.033 0.094) 5.533 6.289 ( -0.630 -0.476 0.291) 0.841 6.493 ( 5.704 0.782 -0.804) 5.813 7.035 ( -3.316 -7.330 -0.145) 8.047 7.131 ( -1.538 1.835 0.279) 2.410 7.985 ( 3.746 3.268 -0.100) 4.972 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( -7.957 -1.537 -0.272) 8.109 2.382 ( -3.417 -0.875 -2.288) 4.205 2.568 ( -0.437 -2.211 1.976) 2.997 2.660 ( -0.171 3.261 0.262) 3.276 3.087 ( -7.677 -6.396 2.403) 10.277 3.854 ( 0.039 2.175 -1.550) 2.671 6.158 ( -6.225 -0.049 0.589) 6.253 6.262 ( -3.058 1.131 -0.546) 3.306 6.555 ( 1.026 -1.511 -1.688) 2.487 6.921 ( 1.873 -9.247 0.865) 9.475 7.133 ( 0.128 0.976 -0.365) 1.050 8.090 ( 3.657 4.886 -0.442) 6.119 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -8.483 1.454 -1.734) 8.780 2.268 ( -8.165 -0.749 -4.782) 9.492 2.499 ( -5.258 -3.375 2.374) 6.684 2.672 ( -1.332 2.419 -0.897) 2.904 2.994 ( 1.204 -3.931 4.305) 5.953 3.824 ( -5.556 2.600 0.148) 6.136 6.044 ( -7.306 -0.673 0.909) 7.393 6.214 ( -4.172 2.725 -1.633) 5.243 6.485 ( -4.131 -3.429 -1.199) 5.501 6.954 ( 10.309 -8.099 1.518) 13.198 7.155 ( 2.038 0.392 -1.564) 2.598 8.185 ( 2.245 4.526 -1.129) 5.176 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.000 0.838 -3.489) 3.588 2.104 ( 0.000 -0.998 -10.068) 10.118 2.403 ( -0.000 7.424 2.277) 7.766 2.565 ( -0.000 3.690 0.396) 3.711 2.895 ( -0.000 -3.934 5.218) 6.535 3.984 ( -0.000 11.905 2.345) 12.134 5.946 ( -0.000 4.973 0.295) 4.982 6.264 ( 0.000 4.689 -2.314) 5.229 6.382 ( -0.000 2.066 -0.154) 2.072 6.747 ( 0.000 -6.212 1.063) 6.302 7.251 ( 0.000 -6.026 -1.400) 6.187 8.326 ( 0.000 -0.701 -1.223) 1.409 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.540 2.340 -0.604) 6.045 2.108 ( 4.552 -1.514 -6.742) 8.274 2.518 ( 5.982 5.167 0.820) 7.947 2.598 ( -0.070 2.536 0.659) 2.621 2.861 ( -1.161 -3.743 4.042) 5.630 4.067 ( -2.138 7.443 0.502) 7.760 6.034 ( 5.268 3.375 0.280) 6.262 6.279 ( -2.410 4.867 -1.888) 5.750 6.429 ( 2.606 2.025 -0.566) 3.349 6.703 ( 1.642 -5.903 1.545) 6.319 7.192 ( -0.701 -3.766 -1.228) 4.023 8.287 ( -3.628 -0.218 -0.689) 3.700 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.495 4.608 2.504) 9.148 2.175 ( 7.362 -2.089 -4.148) 8.705 2.613 ( -0.312 0.878 0.464) 1.041 2.703 ( 9.548 3.628 -1.439) 10.315 2.816 ( 0.386 -3.889 3.773) 5.432 4.054 ( -5.339 3.049 -0.904) 6.214 6.163 ( 6.040 1.732 0.183) 6.286 6.279 ( -1.762 3.339 -0.771) 3.853 6.477 ( 1.022 0.815 -0.525) 1.409 6.723 ( 6.551 -3.218 0.846) 7.347 7.152 ( -0.786 -1.367 -0.579) 1.679 8.201 ( -6.222 0.070 -0.257) 6.228 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.927 -1.122 -1.031) 6.120 2.320 ( 7.048 2.113 1.200) 7.455 2.608 ( -0.422 -0.545 -0.113) 0.698 2.710 ( -4.459 -0.639 -0.499) 4.532 3.002 ( 17.404 -0.665 1.316) 17.466 3.949 ( -8.525 0.481 -0.874) 8.583 6.251 ( 3.697 -0.075 -0.461) 3.726 6.275 ( -0.658 -0.016 0.274) 0.713 6.477 ( -1.666 1.010 0.484) 2.008 6.868 ( 11.528 -0.243 -0.064) 11.531 7.135 ( -0.659 0.123 0.025) 0.671 8.086 ( -7.270 0.150 -0.013) 7.272 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.469 -3.433 -0.176) 5.639 2.414 ( 3.283 -2.052 0.179) 3.876 2.594 ( -0.803 0.980 -0.991) 1.609 2.631 ( -3.857 0.772 -0.555) 3.972 3.274 ( 15.929 -5.221 0.215) 16.764 3.797 ( -9.648 2.159 0.502) 9.899 6.257 ( 1.359 -3.832 0.423) 4.087 6.299 ( 2.327 -0.667 -1.163) 2.686 6.458 ( -3.027 3.499 1.711) 4.933 7.047 ( 8.801 -0.930 0.057) 8.851 7.119 ( -1.514 -0.466 -0.107) 1.588 7.984 ( -4.866 1.515 0.118) 5.098 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.195 -7.589 -0.528) 7.610 2.408 ( 0.315 -2.222 0.858) 2.403 2.587 ( -2.442 2.101 -1.278) 3.466 2.627 ( 1.802 2.325 -0.414) 2.971 3.332 ( 0.360 -12.943 -0.172) 12.949 3.757 ( 0.256 6.979 0.758) 7.025 6.254 ( 2.391 -3.823 0.293) 4.519 6.300 ( -0.341 -1.766 -0.924) 2.022 6.470 ( -0.558 4.377 1.587) 4.689 7.033 ( -4.280 -6.318 0.080) 7.632 7.135 ( 1.824 -0.419 -0.166) 1.879 7.983 ( 1.108 4.706 0.121) 4.836 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -3.137 -5.515 -0.091) 6.346 2.399 ( 0.008 -1.607 0.464) 1.672 2.563 ( -1.113 -0.347 -0.479) 1.260 2.680 ( 1.227 2.427 -0.066) 2.720 3.137 ( -6.848 -11.001 0.772) 12.981 3.851 ( 2.575 3.781 -0.601) 4.614 6.226 ( -2.278 -3.457 -0.059) 4.140 6.291 ( 0.538 0.646 0.039) 0.841 6.517 ( 1.710 1.650 0.198) 2.385 6.862 ( -5.627 -9.324 -0.039) 10.890 7.137 ( -0.262 -0.577 0.015) 0.634 8.084 ( 3.606 6.094 -0.018) 7.081 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -4.296 -1.975 -0.694) 4.779 2.359 ( -3.996 -0.053 -2.389) 4.656 2.532 ( -1.727 -2.846 1.495) 3.649 2.699 ( -0.553 0.297 -0.282) 0.688 2.969 ( -2.420 -5.781 2.160) 6.628 3.892 ( -0.635 1.910 -0.364) 2.046 6.131 ( -4.815 -3.306 0.377) 5.853 6.301 ( -1.937 3.332 -0.777) 3.932 6.520 ( -3.058 -0.904 -0.969) 3.333 6.741 ( 4.037 -9.245 0.892) 10.127 7.131 ( 0.379 -0.399 -0.492) 0.738 8.194 ( 2.562 5.372 -0.235) 5.956 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 0.975 -0.454) 1.076 2.056 ( 0.000 0.956 -1.872) 2.102 2.504 ( -0.000 2.181 0.234) 2.193 2.620 ( -0.000 1.245 0.577) 1.372 2.850 ( -0.000 -2.825 2.298) 3.642 4.141 ( -0.000 3.710 -0.718) 3.778 6.009 ( -0.000 1.478 0.043) 1.479 6.351 ( -0.000 4.872 -1.354) 5.057 6.416 ( -0.000 1.148 -0.044) 1.148 6.640 ( 0.000 -5.055 1.234) 5.204 7.169 ( 0.000 -1.595 -0.944) 1.853 8.315 ( 0.000 -0.033 -0.333) 0.335 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 6.680 -0.084 -0.197) 6.684 2.111 ( 3.813 3.893 3.256) 6.348 2.564 ( 6.319 -0.398 -0.760) 6.377 2.624 ( -0.113 -0.292 0.457) 0.554 2.819 ( -1.460 -1.957 0.656) 2.528 4.131 ( -2.539 -0.395 -1.886) 3.187 6.065 ( 5.447 -0.142 -0.126) 5.450 6.344 ( -3.017 1.178 0.281) 3.251 6.458 ( 2.382 0.621 0.313) 2.481 6.626 ( 2.413 -1.244 -0.149) 2.718 7.157 ( -0.542 0.568 -0.339) 0.855 8.286 ( -3.514 0.217 -0.050) 3.521 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 6.965 -2.371 -0.797) 7.401 2.256 ( 5.528 4.007 4.722) 8.301 2.601 ( -0.042 -2.064 -1.001) 2.294 2.727 ( 13.014 -1.039 0.361) 13.060 2.767 ( -2.684 -1.362 -0.500) 3.051 4.045 ( -4.631 -3.134 -1.861) 5.893 6.154 ( 5.726 -2.467 -0.768) 6.282 6.296 ( -2.127 -2.044 0.941) 3.096 6.494 ( 1.417 0.413 1.317) 1.978 6.711 ( 6.977 2.543 -0.435) 7.439 7.158 ( -0.972 1.984 0.052) 2.210 8.205 ( -6.254 0.347 0.110) 6.264 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 5.721 -4.998 -0.854) 7.645 2.357 ( 3.015 -0.479 2.439) 3.907 2.579 ( 0.728 -1.840 -1.266) 2.349 2.704 ( -3.479 0.170 -1.822) 3.931 2.964 ( 15.641 -2.986 1.176) 15.967 3.922 ( -5.415 -3.133 -0.438) 6.271 6.183 ( 2.407 -4.850 -1.153) 5.536 6.258 ( 0.700 -3.079 0.538) 3.203 6.524 ( -0.064 2.079 2.476) 3.234 6.882 ( 9.638 2.016 0.232) 9.850 7.155 ( -2.042 2.029 -0.206) 2.886 8.098 ( -6.685 1.047 0.248) 6.771 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 3.467 -8.418 -1.475) 9.223 2.373 ( 1.115 -3.514 2.188) 4.287 2.595 ( 2.291 -0.456 -0.403) 2.371 2.651 ( -2.469 1.094 -2.804) 3.893 3.135 ( 8.855 -7.361 -0.094) 11.515 3.831 ( -2.645 -0.086 1.077) 2.857 6.166 ( 2.417 -4.992 -0.746) 5.596 6.252 ( 2.102 -3.711 -0.098) 4.266 6.542 ( -1.429 2.327 2.929) 4.005 7.016 ( 3.161 -1.504 1.363) 3.756 7.123 ( -2.326 1.485 -1.425) 3.106 8.036 ( -2.524 3.446 0.421) 4.292 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.171 -8.075 -0.236) 8.365 2.360 ( 1.373 -4.301 2.716) 5.269 2.586 ( -1.736 -1.111 -1.991) 2.866 2.665 ( 2.418 1.129 -0.775) 2.778 3.104 ( -1.547 -9.056 -1.276) 9.276 3.843 ( 1.965 1.421 0.843) 2.567 6.165 ( 2.889 -5.149 -0.814) 5.961 6.257 ( 2.507 -2.671 0.534) 3.702 6.537 ( -1.308 0.099 2.223) 2.581 6.926 ( -8.630 -2.678 -0.291) 9.041 7.131 ( 0.533 0.243 0.044) 0.587 8.087 ( 2.575 5.403 0.398) 5.999 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -0.000 0.972 2.236) 2.438 2.136 ( -0.000 5.429 6.788) 8.692 2.489 ( 0.000 -3.398 -1.465) 3.700 2.615 ( 0.000 -1.769 0.116) 1.773 2.817 ( 0.000 -0.813 -1.244) 1.486 4.118 ( 0.000 -4.788 -3.131) 5.721 6.007 ( 0.000 -1.626 -0.125) 1.631 6.381 ( -0.000 -3.251 1.923) 3.777 6.417 ( 0.000 -1.079 -0.002) 1.079 6.620 ( -0.000 4.341 -0.919) 4.437 7.178 ( -0.000 2.643 0.036) 2.644 8.319 ( -0.000 0.526 0.094) 0.534 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 3.457 -0.282 2.172) 4.092 2.242 ( 2.916 4.403 7.604) 9.258 2.495 ( 6.395 -5.870 -1.720) 8.850 2.600 ( 1.150 -1.799 1.375) 2.540 2.797 ( -1.376 0.477 -3.062) 3.391 4.030 ( -1.345 -8.326 -3.442) 9.109 6.027 ( 4.808 -3.682 -0.485) 6.075 6.309 ( -2.719 -4.560 1.228) 5.449 6.440 ( 3.359 -2.152 0.528) 4.024 6.693 ( 1.841 7.106 0.510) 7.358 7.205 ( -0.885 4.210 0.109) 4.303 8.295 ( -3.651 0.801 0.141) 3.741 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 3.533 -3.553 0.613) 5.048 2.311 ( 2.128 -2.139 3.156) 4.366 2.513 ( 3.427 -6.035 -2.445) 7.358 2.676 ( 5.593 -4.140 4.586) 8.334 2.798 ( 2.740 5.528 -2.982) 6.853 3.910 ( -1.123 -9.609 -2.336) 9.952 6.064 ( 4.895 -6.058 -1.482) 7.928 6.230 ( -1.569 -4.480 1.113) 4.876 6.491 ( 4.364 -1.550 1.291) 4.808 6.816 ( 4.076 7.182 2.102) 8.522 7.224 ( -2.228 4.863 -0.407) 5.365 8.219 ( -6.232 1.131 0.251) 6.339 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 2.603 -8.317 -1.876) 8.914 2.310 ( 1.977 -6.154 2.429) 6.905 2.525 ( 4.256 -3.320 -0.783) 5.454 2.660 ( -0.600 -3.747 -1.197) 3.979 2.961 ( 7.645 2.674 0.925) 8.152 3.812 ( 0.724 -8.103 -0.735) 8.168 6.063 ( 3.420 -6.687 -2.064) 7.790 6.184 ( 0.708 -4.108 1.234) 4.347 6.542 ( 2.573 -2.074 2.214) 3.978 6.966 ( 4.682 5.742 3.059) 8.015 7.211 ( -4.561 4.350 -1.743) 6.540 8.132 ( -5.367 2.332 0.671) 5.891 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.090 -9.614 -1.083) 10.504 2.285 ( 2.188 -7.587 3.602) 8.679 2.555 ( 1.977 -4.708 -0.893) 5.184 2.626 ( 1.633 -0.984 -1.142) 2.222 3.045 ( 1.210 -1.020 -1.311) 2.055 3.786 ( 3.843 -5.115 -0.042) 6.398 6.052 ( 3.628 -6.429 -1.678) 7.571 6.179 ( 2.560 -3.445 1.377) 4.507 6.540 ( -0.130 -4.022 2.147) 4.561 7.061 ( -3.153 5.083 3.051) 6.715 7.151 ( -3.778 2.420 -2.587) 5.179 8.115 ( -0.527 4.137 1.141) 4.324 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.000 0.729 3.604) 3.677 2.279 ( -0.000 1.214 7.906) 7.999 2.358 ( 0.000 -8.744 -2.595) 9.121 2.584 ( -0.000 -0.527 3.569) 3.608 2.806 ( 0.000 1.812 -4.532) 4.881 3.922 ( 0.000 -13.171 -4.421) 13.893 5.941 ( 0.000 -5.145 -0.253) 5.151 6.290 ( 0.000 -5.408 0.533) 5.434 6.384 ( 0.000 -1.940 0.075) 1.942 6.759 ( -0.000 8.155 2.349) 8.486 7.263 ( -0.000 5.984 -0.052) 5.985 8.338 ( -0.000 1.437 0.020) 1.437 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.092 -1.794 1.817) 2.555 2.248 ( 0.770 -7.886 0.385) 7.933 2.338 ( 5.996 -8.760 -0.565) 10.630 2.620 ( 1.474 -0.088 7.260) 7.408 2.828 ( 0.487 6.431 -3.200) 7.200 3.772 ( 1.117 -16.040 -4.078) 16.588 5.917 ( 3.819 -7.233 -0.635) 8.204 6.224 ( -1.956 -3.825 0.194) 4.300 6.401 ( 3.680 -1.797 0.172) 4.099 6.858 ( 1.486 7.799 4.198) 8.981 7.314 ( -1.556 7.086 -0.653) 7.284 8.321 ( -3.865 1.922 -0.047) 4.317 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -0.907 -8.938 -3.046) 9.486 2.193 ( 2.975 -10.345 1.128) 10.823 2.373 ( 7.292 -6.499 0.134) 9.769 2.624 ( -0.082 -3.799 2.054) 4.320 2.941 ( 2.953 8.735 2.056) 9.447 3.646 ( 4.133 -15.925 -3.121) 16.746 5.910 ( 4.719 -8.677 -1.418) 9.978 6.166 ( -1.481 -2.125 0.645) 2.670 6.457 ( 4.455 -2.362 0.691) 5.089 6.982 ( 2.955 6.971 5.206) 9.189 7.336 ( -3.950 7.358 -1.875) 8.559 8.256 ( -5.997 2.534 0.429) 6.524 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 2.765 -12.157 -3.066) 12.839 2.152 ( 3.862 -11.445 3.144) 12.481 2.434 ( 5.615 -5.808 0.654) 8.105 2.588 ( 0.547 -2.828 -0.197) 2.887 3.050 ( 0.612 4.735 1.422) 4.982 3.598 ( 7.832 -12.653 -2.852) 15.151 5.901 ( 4.916 -8.587 -1.646) 10.031 6.140 ( -0.155 -1.008 1.228) 1.596 6.485 ( 1.949 -4.231 1.160) 4.801 7.111 ( 2.878 5.590 4.823) 7.925 7.303 ( -7.546 7.006 -3.301) 10.812 8.197 ( -4.211 3.602 1.649) 5.781 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 -3.448 -1.751) 3.867 2.148 ( 0.000 -9.686 1.840) 9.859 2.178 ( 0.000 -11.844 -1.715) 11.967 2.622 ( -0.000 -2.483 5.393) 5.937 2.896 ( -0.000 9.769 1.594) 9.899 3.565 ( 0.000 -20.641 -4.831) 21.199 5.808 ( 0.000 -8.254 -0.128) 8.255 6.212 ( 0.000 -2.220 -0.666) 2.317 6.356 ( 0.000 -0.813 0.024) 0.813 6.931 ( -0.000 6.573 5.841) 8.793 7.402 ( -0.000 8.619 -1.072) 8.685 8.376 ( -0.000 2.689 -0.495) 2.734 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -3.579 -13.017 -7.474) 15.431 2.037 ( 1.718 -12.995 -0.096) 13.108 2.190 ( 7.339 -4.998 3.049) 9.388 2.592 ( -0.114 -5.286 1.551) 5.510 3.015 ( 0.770 9.259 6.661) 11.432 3.375 ( 4.152 -21.230 -5.551) 22.333 5.751 ( 3.103 -9.187 -0.322) 9.702 6.184 ( -1.515 0.046 -0.342) 1.554 6.378 ( 2.888 -0.577 -0.019) 2.945 7.019 ( 1.688 5.034 6.800) 8.627 7.467 ( -2.389 9.432 -1.870) 9.908 8.370 ( -3.851 3.203 -0.430) 5.028 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.033 -16.528 -6.939) 17.925 1.962 ( 4.511 -14.356 1.654) 15.139 2.282 ( 6.850 -4.032 2.768) 8.417 2.542 ( 0.699 -5.285 -0.365) 5.344 3.095 ( 0.861 -1.807 8.486) 8.719 3.296 ( 8.403 -11.355 -7.986) 16.227 5.727 ( 4.728 -9.205 -0.785) 10.378 6.165 ( -1.801 1.668 0.426) 2.491 6.418 ( 2.434 -1.796 0.273) 3.037 7.121 ( 2.958 3.625 5.816) 7.464 7.486 ( -5.555 9.570 -2.704) 11.391 8.321 ( -5.380 3.731 0.937) 6.614 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 -16.507 -8.812) 18.712 1.858 ( 0.000 -18.127 -6.369) 19.214 2.113 ( -0.000 -0.849 6.862) 6.914 2.525 ( 0.000 -9.077 0.116) 9.077 3.039 ( -0.000 -20.334 8.578) 22.069 3.181 ( 0.000 5.284 -4.882) 7.194 5.636 ( 0.000 -9.157 0.304) 9.162 6.207 ( -0.000 2.188 -0.643) 2.281 6.356 ( -0.000 0.824 -0.215) 0.852 7.064 ( -0.000 2.716 8.000) 8.448 7.579 ( -0.000 10.604 -2.079) 10.806 8.433 ( -0.000 3.604 -1.216) 3.804 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -3.573 -19.881 -10.056) 22.564 1.723 ( 5.739 -17.927 -3.257) 19.103 2.167 ( 4.505 -1.365 4.959) 6.838 2.436 ( 2.654 -12.104 -0.861) 12.421 2.850 ( 5.189 -25.462 1.789) 26.047 3.275 ( -0.261 9.865 1.387) 9.966 5.574 ( 2.746 -8.734 0.176) 9.158 6.222 ( -1.519 3.827 -0.104) 4.119 6.379 ( 1.391 0.736 -0.224) 1.590 7.121 ( 1.913 1.032 7.623) 7.927 7.652 ( -3.144 10.888 -2.433) 11.591 8.435 ( -3.387 3.713 -0.697) 5.074 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 -19.905 -9.810) 22.191 1.422 ( 0.000 -21.796 -9.309) 23.700 2.138 ( -0.000 -0.450 5.225) 5.244 2.212 ( 0.000 -26.267 1.430) 26.305 2.600 ( 0.000 -17.670 -0.681) 17.683 3.381 ( -0.000 8.930 3.357) 9.540 5.472 ( 0.000 -7.856 0.714) 7.888 6.279 ( -0.000 5.044 -0.031) 5.044 6.382 ( -0.000 2.015 -0.418) 2.058 7.128 ( -0.000 -1.008 8.825) 8.882 7.781 ( -0.000 11.379 -2.319) 11.612 8.494 ( 0.000 3.303 -1.809) 3.766 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -0.000 0.000 23.133) 23.133 0.419 ( -0.000 0.000 23.133) 23.133 0.730 ( -0.000 0.000 40.731) 40.731 2.115 ( 0.000 -0.000 -3.689) 3.689 2.115 ( 0.000 -0.000 -3.689) 3.689 4.026 ( 0.000 -0.000 -10.193) 10.193 5.244 ( 0.000 -0.000 -0.059) 0.059 5.244 ( 0.000 -0.000 -0.059) 0.059 6.478 ( -0.000 0.000 0.126) 0.126 6.478 ( -0.000 0.000 0.126) 0.126 8.272 ( -0.000 0.000 2.480) 2.480 8.636 ( 0.000 -0.000 -1.020) 1.020 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 8.919 5.149 15.090) 18.270 0.643 ( 7.529 4.347 22.356) 23.987 1.216 ( 27.393 15.815 24.686) 40.124 2.130 ( 3.343 1.930 -5.186) 6.465 2.133 ( 1.525 0.881 -3.022) 3.498 3.643 ( -9.190 -5.306 -1.325) 10.694 5.278 ( 2.720 1.570 0.218) 3.148 6.361 ( 41.505 23.963 -41.448) 63.363 6.457 ( -2.046 -1.181 0.036) 2.363 6.458 ( -1.517 -0.876 -0.008) 1.752 8.228 ( -5.311 -3.066 3.705) 7.165 8.548 ( -4.915 -2.837 0.280) 5.682 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 14.459 8.348 6.642) 17.968 0.910 ( 11.363 6.560 12.602) 18.192 1.911 ( 28.421 16.409 12.352) 35.065 2.165 ( 2.036 1.175 -2.214) 3.229 2.225 ( 6.322 3.650 -4.134) 8.389 3.510 ( -3.272 -1.889 -4.155) 5.616 5.365 ( 4.974 2.872 0.370) 5.755 6.380 ( -4.522 -2.611 -0.408) 5.238 6.415 ( -2.182 -1.260 -0.111) 2.522 6.867 ( 17.286 9.980 -20.696) 28.753 8.066 ( -9.851 -5.688 5.477) 12.625 8.440 ( -4.692 -2.709 -3.700) 6.561 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 15.128 8.734 2.216) 17.609 1.208 ( 12.990 7.500 3.416) 15.383 2.211 ( 2.509 1.449 -1.220) 3.144 2.334 ( 8.268 4.773 -9.845) 13.714 2.554 ( 22.025 12.716 11.102) 27.750 3.462 ( -0.126 -0.073 -0.771) 0.785 5.499 ( 6.828 3.942 0.437) 7.896 6.265 ( -5.168 -2.984 -0.687) 6.007 6.368 ( -1.833 -1.058 -0.190) 2.125 7.108 ( 8.830 5.098 -9.681) 14.060 7.835 ( -12.102 -6.987 5.183) 14.905 8.317 ( -4.644 -2.681 -5.671) 7.805 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 13.353 7.709 -0.531) 15.427 1.502 ( 13.223 7.634 -2.691) 15.504 2.270 ( 2.961 1.710 -0.016) 3.419 2.473 ( 6.500 3.753 -6.122) 9.686 2.960 ( 11.126 6.424 2.590) 13.106 3.525 ( 5.698 3.290 5.030) 8.282 5.664 ( 7.587 4.380 0.464) 8.773 6.166 ( -3.107 -1.794 -0.864) 3.690 6.339 ( -0.582 -0.336 -0.242) 0.714 7.207 ( 2.166 1.251 -6.126) 6.617 7.559 ( -13.765 -7.947 3.715) 16.323 8.228 ( -1.557 -0.899 -4.227) 4.594 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 9.977 5.760 -2.371) 11.762 1.777 ( 12.481 7.206 -5.713) 15.503 2.341 ( 3.201 1.848 1.236) 3.897 2.586 ( 4.801 2.772 -3.708) 6.670 3.076 ( 0.215 0.124 1.325) 1.348 3.714 ( 8.134 4.696 5.680) 10.976 5.827 ( 6.545 3.779 0.426) 7.569 6.138 ( 1.051 0.607 -1.059) 1.610 6.344 ( 1.039 0.600 -0.224) 1.220 7.173 ( -4.291 -2.478 -7.626) 9.094 7.265 ( -11.673 -6.740 4.620) 14.249 8.224 ( 1.564 0.903 -1.509) 2.353 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 6.240 3.602 -3.188) 7.879 2.022 ( 10.980 6.339 -6.797) 14.386 2.412 ( 2.475 1.429 2.037) 3.509 2.658 ( 2.301 1.329 -2.344) 3.543 3.030 ( -3.936 -2.273 1.761) 4.875 3.876 ( 4.775 2.757 4.718) 7.257 5.947 ( 3.992 2.305 0.284) 4.618 6.208 ( 5.460 3.152 -1.290) 6.435 6.379 ( 1.918 1.107 -0.105) 2.217 6.927 ( -12.416 -7.168 -1.774) 14.446 7.154 ( -2.315 -1.336 -0.192) 2.680 8.267 ( 2.017 1.164 -0.161) 2.334 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 3.242 1.872 -2.877) 4.721 2.223 ( 8.593 4.961 -6.283) 11.745 2.451 ( 0.175 0.101 2.052) 2.062 2.671 ( -0.516 -0.298 -1.236) 1.372 2.936 ( -4.325 -2.497 -0.235) 5.000 3.954 ( 1.014 0.585 4.951) 5.087 6.005 ( 1.217 0.703 0.133) 1.412 6.363 ( 8.222 4.747 -1.597) 9.628 6.414 ( 0.982 0.567 0.013) 1.134 6.669 ( -9.966 -5.754 0.386) 11.514 7.126 ( -0.070 -0.040 0.121) 0.146 8.301 ( 0.931 0.538 0.118) 1.082 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.804 0.464 -1.528) 1.788 2.343 ( 2.042 1.179 -1.213) 2.652 2.425 ( -3.011 -1.738 1.220) 3.685 2.661 ( 1.468 0.848 -2.118) 2.713 2.847 ( -3.005 -1.735 -3.424) 4.875 3.945 ( -3.383 -1.953 4.546) 5.993 6.003 ( -1.451 -0.838 0.040) 1.676 6.413 ( -6.456 -3.727 0.632) 7.481 6.415 ( -0.881 -0.508 0.059) 1.019 6.628 ( 9.036 5.217 -1.375) 10.524 7.152 ( 2.196 1.268 1.166) 2.791 8.310 ( -0.059 -0.034 0.508) 0.512 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -2.591 -1.496 1.551) 3.370 2.284 ( -7.171 -4.140 5.671) 10.036 2.330 ( -5.041 -2.910 -1.201) 5.943 2.724 ( 0.297 0.171 1.766) 1.799 2.812 ( 4.733 2.733 -10.320) 11.678 3.815 ( -9.509 -5.490 2.435) 11.246 5.939 ( -4.376 -2.527 -0.079) 5.054 6.271 ( -5.560 -3.210 1.652) 6.629 6.384 ( -1.683 -0.972 0.106) 1.947 6.857 ( 10.716 6.187 -4.144) 13.050 7.231 ( 4.458 2.574 2.293) 5.635 8.312 ( 0.232 0.134 1.743) 1.763 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -9.352 -5.400 6.209) 12.457 2.084 ( -12.322 -7.114 8.185) 16.414 2.225 ( -2.969 -1.714 -4.978) 6.044 2.663 ( -4.337 -2.504 -0.004) 5.008 2.978 ( 9.750 5.629 -5.410) 12.490 3.525 ( -16.711 -9.648 -1.021) 19.323 5.810 ( -6.941 -4.008 -0.306) 8.021 6.191 ( -1.787 -1.032 1.491) 2.546 6.354 ( -0.810 -0.468 0.225) 0.962 7.047 ( 7.301 4.215 -6.992) 10.953 7.367 ( 7.112 4.106 2.975) 8.735 8.341 ( 1.900 1.097 3.283) 3.948 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -14.792 -8.540 8.219) 18.954 1.790 ( -16.228 -9.369 9.071) 20.819 2.168 ( -0.980 -0.566 -5.681) 5.792 2.531 ( -8.017 -4.628 -1.196) 9.334 3.050 ( -20.444 -11.803 5.291) 24.192 3.207 ( 7.287 4.207 -9.682) 12.827 5.640 ( -7.812 -4.510 -0.565) 9.038 6.201 ( 2.171 1.253 0.827) 2.640 6.353 ( 0.654 0.378 0.356) 0.835 7.134 ( 2.608 1.506 -7.801) 8.362 7.560 ( 9.189 5.305 2.339) 10.865 8.413 ( 3.331 1.923 3.459) 5.173 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -0.000 18.784 12.861) 22.765 0.794 ( -0.000 15.934 18.170) 24.167 1.197 ( -0.000 21.210 30.327) 37.008 2.066 ( 0.000 -0.960 -5.782) 5.861 2.168 ( 0.000 6.346 -3.884) 7.441 3.634 ( 0.000 -11.896 -2.857) 12.234 5.261 ( -0.000 2.358 -0.254) 2.372 6.236 ( 0.000 46.322 -35.604) 58.424 6.454 ( 0.000 -1.429 -0.808) 1.642 6.467 ( 0.000 -1.356 0.233) 1.376 8.236 ( -0.000 -6.244 3.689) 7.253 8.565 ( 0.000 -3.638 -0.526) 3.676 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.441 22.290 7.941) 23.666 0.963 ( 0.441 14.431 18.425) 23.408 1.710 ( 20.451 21.553 16.477) 33.975 2.084 ( 5.026 -0.128 -4.274) 6.599 2.229 ( 0.504 7.765 -4.450) 8.964 3.508 ( -2.102 -5.527 -5.355) 7.977 5.324 ( 3.572 3.573 0.033) 5.052 6.396 ( -1.646 -3.919 -0.766) 4.319 6.438 ( -1.567 -1.503 0.153) 2.177 6.657 ( 14.072 20.926 -24.080) 34.868 8.131 ( -4.714 -9.250 4.859) 11.462 8.492 ( -4.444 -1.983 -2.726) 5.578 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 3.069 16.508 12.460) 20.909 1.208 ( 5.264 17.488 3.605) 18.615 2.110 ( 8.538 1.939 -6.332) 10.805 2.300 ( 2.295 10.505 -7.542) 13.134 2.377 ( 19.024 14.044 13.637) 27.297 3.438 ( 0.428 -2.755 -3.508) 4.481 5.443 ( 5.415 5.179 0.318) 7.500 6.302 ( -3.849 -4.602 -0.659) 6.036 6.396 ( -1.986 -0.684 -0.053) 2.101 6.958 ( 11.506 8.379 -13.011) 19.284 7.943 ( -8.213 -9.970 5.297) 13.962 8.370 ( -6.098 -1.990 -4.925) 8.088 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 6.553 12.240 7.727) 15.890 1.481 ( 6.821 17.113 -2.152) 18.547 2.226 ( 5.403 2.352 -2.717) 6.489 2.404 ( 4.178 6.326 -6.528) 10.005 2.839 ( 14.211 11.149 4.696) 18.663 3.465 ( 4.973 0.554 1.943) 5.368 5.602 ( 6.472 6.541 0.527) 9.217 6.193 ( -3.566 -3.652 -0.748) 5.159 6.364 ( -1.663 0.815 -0.261) 1.870 7.127 ( 6.313 1.744 -7.732) 10.133 7.700 ( -11.163 -9.535 4.489) 15.352 8.246 ( -4.033 -1.745 -4.636) 6.387 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 8.131 9.498 2.244) 12.703 1.739 ( 6.438 14.607 -3.819) 16.413 2.326 ( 3.255 4.460 -0.321) 5.531 2.519 ( 5.162 3.932 -4.323) 7.797 3.056 ( 3.816 2.414 0.405) 4.533 3.628 ( 9.037 4.191 4.980) 11.137 5.778 ( 6.034 7.103 0.675) 9.344 6.127 ( -0.672 -1.477 -0.834) 1.825 6.358 ( -0.744 2.425 -0.395) 2.567 7.158 ( 0.497 -2.195 -7.086) 7.435 7.420 ( -12.887 -8.086 3.697) 15.657 8.194 ( 0.699 -1.093 -2.036) 2.414 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 6.907 7.075 -0.428) 9.897 1.954 ( 5.826 11.751 -5.281) 14.139 2.419 ( 1.812 5.468 1.188) 5.882 2.616 ( 3.778 2.176 -2.692) 5.124 3.067 ( -2.037 -1.573 0.763) 2.685 3.818 ( 7.008 2.941 4.209) 8.688 5.931 ( 3.712 6.673 0.687) 7.667 6.146 ( 3.608 0.995 -1.008) 3.876 6.383 ( 0.321 3.363 -0.374) 3.399 7.041 ( -8.639 -5.771 -5.727) 11.863 7.197 ( -5.985 -3.315 2.703) 7.357 8.219 ( 3.260 -1.238 -0.217) 3.493 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 3.211 5.209 -1.828) 6.387 2.140 ( 6.466 8.777 -5.824) 12.360 2.488 ( -0.482 5.064 2.025) 5.475 2.664 ( 1.106 0.709 -1.817) 2.242 2.986 ( -4.677 -2.640 -0.164) 5.374 3.936 ( 3.668 0.616 4.581) 5.900 6.027 ( 0.424 5.636 0.474) 5.672 6.253 ( 7.086 2.094 -1.129) 7.475 6.426 ( 0.836 3.600 -0.295) 3.708 6.797 ( -11.136 -4.944 -1.256) 12.248 7.132 ( -1.154 -0.763 0.318) 1.419 8.259 ( 3.102 -1.998 0.168) 3.693 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.545 3.394 -1.973) 3.964 2.294 ( 5.119 5.197 -4.673) 8.663 2.501 ( -3.795 3.311 2.277) 5.527 2.663 ( -0.773 0.872 -1.422) 1.839 2.879 ( -4.322 -2.318 -2.335) 5.432 3.977 ( -0.310 -1.315 5.064) 5.242 6.056 ( -2.684 4.023 0.254) 4.843 6.363 ( 3.578 -1.988 -0.473) 4.120 6.487 ( 0.893 3.954 -1.101) 4.200 6.611 ( -4.747 0.815 0.553) 4.849 7.134 ( 1.192 0.496 0.658) 1.449 8.280 ( 2.090 -2.749 0.225) 3.461 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -1.493 0.632 -0.655) 1.749 2.346 ( -1.929 -0.353 0.296) 1.983 2.438 ( -7.033 1.307 1.991) 7.425 2.694 ( 3.169 3.919 -2.166) 5.486 2.791 ( -2.617 -1.049 -5.246) 5.955 3.917 ( -6.183 -3.426 4.070) 8.157 6.016 ( -5.364 1.566 0.191) 5.591 6.315 ( -3.680 -4.829 0.721) 6.115 6.442 ( -4.368 1.972 0.304) 4.802 6.744 ( 9.035 7.370 -2.735) 11.976 7.185 ( 3.619 1.140 1.487) 4.075 8.284 ( 1.854 -2.908 0.858) 3.554 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -5.069 -4.446 3.237) 7.479 2.236 ( -8.981 -3.008 2.938) 9.916 2.320 ( -8.264 1.837 -0.279) 8.471 2.697 ( -2.931 -2.981 0.035) 4.181 2.861 ( 8.416 7.050 -7.205) 13.132 3.714 ( -14.044 -5.972 1.990) 15.390 5.909 ( -7.757 -0.848 0.145) 7.805 6.216 ( -2.954 -3.059 1.064) 4.383 6.400 ( -3.436 2.402 0.247) 4.200 6.949 ( 8.126 6.201 -5.638) 11.674 7.287 ( 6.447 1.622 2.402) 7.069 8.302 ( 3.033 -2.178 1.960) 4.217 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -11.454 -10.106 7.779) 17.142 2.021 ( -13.880 -3.733 3.754) 14.856 2.221 ( -5.698 3.552 -3.921) 7.776 2.600 ( -5.091 -3.436 -0.528) 6.165 3.069 ( 10.053 6.087 -4.629) 12.631 3.344 ( -22.185 -8.088 0.842) 23.628 5.750 ( -9.219 -2.131 -0.017) 9.462 6.179 ( 0.736 -0.892 0.725) 1.365 6.377 ( -2.012 2.273 0.220) 3.044 7.082 ( 4.053 3.854 -7.234) 9.144 7.447 ( 9.360 2.398 2.528) 9.987 8.358 ( 4.628 -1.183 2.206) 5.262 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.000 21.557 7.127) 22.705 1.209 ( -0.000 17.142 13.082) 21.563 1.825 ( -0.000 27.437 19.437) 33.624 2.013 ( 0.000 -0.613 -6.964) 6.991 2.294 ( 0.000 8.826 -5.623) 10.465 3.447 ( 0.000 -6.158 -5.706) 8.395 5.334 ( -0.000 5.356 -0.112) 5.357 6.368 ( 0.000 -4.273 -0.528) 4.305 6.432 ( 0.000 -2.275 0.150) 2.280 6.686 ( 0.000 19.432 -19.168) 27.295 8.081 ( -0.000 -11.625 4.492) 12.462 8.505 ( 0.000 -1.839 -3.567) 4.014 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.454 20.085 3.062) 20.322 1.379 ( -2.994 18.176 13.955) 23.110 2.004 ( 3.852 2.735 -7.452) 8.823 2.289 ( 14.087 19.802 14.377) 28.236 2.361 ( 0.414 10.457 -8.725) 13.626 3.382 ( 0.643 -4.213 -3.668) 5.622 5.424 ( 3.507 6.707 0.216) 7.572 6.304 ( -2.136 -4.864 -0.394) 5.327 6.406 ( -0.491 -1.677 0.000) 1.747 6.854 ( 6.702 10.549 -12.310) 17.543 7.946 ( -3.554 -12.317 4.327) 13.530 8.434 ( -4.655 -1.799 -4.689) 6.848 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -1.306 15.055 8.655) 17.414 1.584 ( 1.836 19.739 2.332) 19.961 2.120 ( 8.217 3.580 -5.781) 10.666 2.413 ( 0.943 6.375 -5.722) 8.618 2.750 ( 12.819 15.919 4.009) 20.829 3.389 ( 4.151 -0.554 1.285) 4.381 5.574 ( 5.520 8.114 0.672) 9.836 6.210 ( -3.244 -4.163 -0.587) 5.310 6.389 ( -0.473 0.199 -0.375) 0.635 7.008 ( 6.909 2.791 -7.514) 10.583 7.758 ( -6.369 -11.615 4.029) 13.846 8.305 ( -6.325 -1.743 -4.915) 8.198 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 1.703 12.555 4.828) 13.559 1.809 ( 2.822 17.170 0.057) 17.400 2.287 ( 7.143 5.730 -2.463) 9.483 2.483 ( 2.691 4.990 -4.357) 7.150 3.006 ( 5.659 4.506 -0.939) 7.295 3.533 ( 8.558 4.848 4.630) 10.871 5.759 ( 5.984 9.098 1.087) 10.943 6.129 ( -2.046 -2.291 -0.722) 3.155 6.394 ( -0.328 2.481 -0.814) 2.632 7.081 ( 3.577 -2.119 -6.063) 7.351 7.535 ( -9.170 -9.657 3.380) 13.739 8.190 ( -3.236 -1.722 -3.168) 4.845 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 3.628 10.589 3.115) 11.619 1.999 ( 2.392 13.583 -2.503) 14.017 2.442 ( 3.930 7.499 -0.052) 8.467 2.569 ( 3.596 3.375 -2.494) 5.526 3.067 ( 0.879 -0.673 -0.576) 1.248 3.733 ( 7.671 3.852 3.098) 9.126 5.942 ( 4.575 8.931 1.440) 10.138 6.107 ( 1.266 0.207 -0.930) 1.585 6.419 ( -0.200 3.966 -1.081) 4.115 7.053 ( -1.242 -3.939 -6.090) 7.359 7.302 ( -9.569 -6.178 3.080) 11.799 8.152 ( 1.525 -2.470 -0.844) 3.023 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 2.414 8.607 1.723) 9.104 2.144 ( 2.686 10.279 -4.025) 11.361 2.554 ( 0.780 6.517 1.533) 6.741 2.642 ( 2.323 2.452 -1.505) 3.698 3.036 ( -3.206 -0.859 -1.014) 3.470 3.871 ( 5.603 0.320 2.826) 6.284 6.079 ( 1.820 7.111 1.404) 7.473 6.172 ( 4.680 2.730 -1.057) 5.520 6.452 ( 0.059 3.646 -1.056) 3.796 6.920 ( -8.260 -3.231 -3.342) 9.479 7.159 ( -3.448 -1.905 1.477) 4.207 8.170 ( 3.748 -3.723 0.096) 5.284 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.575 6.562 0.033) 6.587 2.269 ( 3.384 7.146 -3.892) 8.813 2.591 ( -1.980 1.987 2.122) 3.518 2.685 ( 0.141 2.843 -0.545) 2.899 2.950 ( -6.147 1.468 -2.979) 6.986 3.949 ( 3.447 -2.025 3.855) 5.554 6.148 ( -1.565 5.674 0.763) 5.936 6.279 ( 4.906 1.201 -0.705) 5.100 6.490 ( 1.549 2.500 -1.061) 3.126 6.749 ( -8.998 1.560 -0.309) 9.137 7.129 ( -0.126 0.147 0.384) 0.430 8.193 ( 3.707 -4.794 0.132) 6.062 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -3.081 3.616 -0.467) 4.774 2.356 ( 1.417 3.350 -2.446) 4.383 2.551 ( -4.068 -0.181 2.373) 4.713 2.704 ( 0.070 1.442 0.425) 1.505 2.857 ( -6.765 4.769 -5.125) 9.736 3.960 ( -0.889 -3.185 3.864) 5.086 6.134 ( -5.260 2.919 0.550) 6.041 6.311 ( -0.412 -2.836 -0.107) 2.868 6.526 ( -1.057 1.996 -0.677) 2.358 6.714 ( 0.886 8.360 -0.746) 8.440 7.148 ( 1.850 0.439 0.662) 2.013 8.203 ( 3.287 -5.167 0.279) 6.130 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -5.405 -1.076 1.018) 5.604 2.343 ( -4.737 -0.092 -0.207) 4.742 2.474 ( -6.553 1.498 1.457) 6.878 2.703 ( -1.026 -3.294 1.348) 3.704 2.833 ( 0.140 9.050 -6.423) 11.098 3.864 ( -8.048 -3.983 2.636) 9.359 6.042 ( -7.585 0.467 0.814) 7.643 6.239 ( -3.382 -3.228 0.096) 4.676 6.503 ( -4.335 3.861 -0.042) 5.805 6.871 ( 6.946 7.723 -3.737) 11.039 7.206 ( 4.592 -0.075 1.610) 4.867 8.215 ( 3.858 -4.514 0.751) 5.985 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -9.147 -5.955 4.235) 11.707 2.201 ( -10.597 -1.798 -0.261) 10.751 2.376 ( -8.014 3.730 -0.656) 8.864 2.633 ( -3.047 -3.169 -0.230) 4.403 2.968 ( 6.973 6.690 -3.816) 10.390 3.623 ( -16.672 -4.157 2.041) 17.303 5.899 ( -9.576 -0.546 0.935) 9.637 6.169 ( -1.320 -1.966 -0.107) 2.371 6.461 ( -4.502 3.002 -0.198) 5.415 7.031 ( 5.310 5.949 -5.865) 9.899 7.316 ( 8.171 -0.262 2.641) 8.591 8.255 ( 5.226 -3.315 0.647) 6.223 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.000 19.437 3.186) 19.696 1.597 ( -0.000 16.460 7.628) 18.142 1.966 ( 0.000 -0.021 -6.051) 6.051 2.392 ( -0.000 8.669 3.752) 9.446 2.463 ( -0.000 24.662 -1.884) 24.734 3.330 ( 0.000 -3.064 -0.786) 3.163 5.465 ( -0.000 8.085 0.253) 8.089 6.278 ( 0.000 -4.402 -0.128) 4.404 6.387 ( 0.000 -2.153 -0.076) 2.154 6.861 ( 0.000 7.828 -8.928) 11.874 7.861 ( 0.000 -13.180 3.333) 13.594 8.444 ( 0.000 -1.904 -4.954) 5.308 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.344 14.738 -2.515) 15.133 1.788 ( -0.126 16.674 10.048) 19.468 2.009 ( 6.448 3.319 -5.740) 9.249 2.439 ( 0.466 4.739 -7.101) 8.549 2.766 ( 6.123 18.501 2.596) 19.661 3.343 ( 2.453 1.967 4.166) 5.219 5.581 ( 3.616 9.084 0.594) 9.795 6.218 ( -2.225 -3.484 -0.400) 4.154 6.378 ( 0.969 -0.955 -0.338) 1.402 6.926 ( 3.563 2.545 -5.559) 7.076 7.721 ( -2.496 -12.732 2.616) 13.236 8.371 ( -4.547 -1.712 -4.918) 6.913 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.073 10.574 -2.100) 10.781 1.965 ( -0.301 15.251 6.894) 16.739 2.194 ( 9.831 7.306 -3.684) 12.791 2.480 ( 1.817 4.145 -5.879) 7.419 2.963 ( 3.880 4.549 -0.715) 6.022 3.489 ( 5.820 9.025 5.866) 12.237 5.756 ( 5.715 9.824 1.080) 11.417 6.147 ( -2.638 -1.824 -0.718) 3.286 6.400 ( 1.549 1.262 -0.952) 2.213 6.979 ( 3.875 -2.085 -3.848) 5.846 7.553 ( -4.417 -11.186 2.161) 12.219 8.248 ( -6.064 -1.312 -3.918) 7.338 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 2.803 9.841 0.553) 10.248 2.106 ( 0.132 11.594 1.611) 11.706 2.419 ( 7.472 8.572 -0.189) 11.374 2.549 ( 3.048 4.480 -3.282) 6.336 3.022 ( 2.755 -1.368 -0.336) 3.094 3.683 ( 4.989 7.377 2.701) 9.306 5.953 ( 5.543 9.589 1.625) 11.194 6.105 ( -0.881 0.423 -0.949) 1.362 6.443 ( 1.264 3.019 -1.632) 3.657 6.990 ( 2.283 -3.719 -3.562) 5.633 7.375 ( -6.118 -8.401 1.868) 10.559 8.142 ( -3.496 -1.658 -1.984) 4.348 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 3.026 9.281 2.064) 9.978 2.209 ( 0.439 8.865 -1.183) 8.954 2.569 ( 3.109 3.465 0.368) 4.670 2.647 ( 2.254 6.232 -0.021) 6.627 3.052 ( 1.670 0.724 -0.848) 2.008 3.800 ( 3.481 1.630 0.848) 3.936 6.101 ( 2.175 4.215 1.361) 4.935 6.147 ( 3.555 6.167 -0.487) 7.135 6.478 ( 0.127 2.367 -1.941) 3.064 6.968 ( -0.981 -1.193 -3.143) 3.502 7.214 ( -5.434 -4.396 1.710) 7.196 8.091 ( 0.531 -3.334 -0.435) 3.404 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.270 8.119 1.863) 8.334 2.292 ( 1.115 6.906 -2.030) 7.284 2.614 ( 0.314 0.351 0.153) 0.495 2.701 ( 0.059 0.282 1.573) 1.599 3.083 ( -3.315 8.663 -2.675) 9.654 3.856 ( 4.474 -3.362 1.651) 5.835 6.180 ( 3.114 3.411 0.304) 4.629 6.254 ( 1.472 4.828 0.300) 5.056 6.481 ( 0.202 -0.340 -1.534) 1.584 6.912 ( -6.241 4.165 -1.062) 7.578 7.140 ( -1.171 -0.678 0.560) 1.464 8.081 ( 3.039 -5.269 0.036) 6.082 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -3.868 5.986 0.834) 7.176 2.364 ( 1.250 4.461 -1.756) 4.955 2.593 ( -1.899 -1.362 1.146) 2.603 2.689 ( 0.574 -3.145 0.684) 3.270 3.073 ( -9.035 12.009 -3.367) 15.401 3.900 ( 4.444 -4.953 2.461) 7.095 6.234 ( -2.612 2.747 0.569) 3.833 6.286 ( 0.770 -0.238 -0.358) 0.881 6.500 ( 3.340 -0.202 -0.996) 3.491 6.865 ( -6.244 9.212 0.165) 11.130 7.136 ( 0.222 0.213 -0.066) 0.315 8.085 ( 3.908 -6.042 0.061) 7.195 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -7.172 1.571 0.863) 7.393 2.394 ( -1.212 1.585 -1.533) 2.516 2.555 ( -2.221 0.373 1.168) 2.537 2.674 ( 0.964 -3.343 1.357) 3.735 3.005 ( -9.714 10.072 -3.137) 14.340 3.903 ( -0.229 -4.174 1.632) 4.487 6.162 ( -6.199 -0.163 0.927) 6.270 6.266 ( -2.435 -1.392 -0.301) 2.821 6.561 ( 2.008 1.701 -1.381) 2.972 6.892 ( -1.272 9.741 -0.890) 9.864 7.148 ( 1.942 -1.190 0.557) 2.344 8.099 ( 4.302 -5.047 0.116) 6.633 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -9.077 -2.202 1.989) 9.549 2.329 ( -6.436 -0.890 -1.912) 6.772 2.520 ( -4.737 2.723 0.203) 5.467 2.646 ( -1.672 -3.102 1.775) 3.946 2.973 ( -1.678 6.808 -1.885) 7.261 3.805 ( -8.037 -2.736 0.837) 8.531 6.047 ( -7.706 -0.411 1.524) 7.866 6.193 ( -3.692 -1.306 -0.785) 3.994 6.559 ( -3.593 1.553 -1.400) 4.157 6.996 ( 4.015 7.061 -3.579) 8.876 7.194 ( 5.468 -2.454 2.227) 6.394 8.137 ( 4.905 -3.106 -0.231) 5.810 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 7.371 -7.685) 10.648 1.898 ( -0.000 13.985 -2.934) 14.289 1.995 ( -0.000 7.763 6.663) 10.230 2.448 ( 0.000 3.257 -8.364) 8.976 2.885 ( -0.000 11.858 2.415) 12.102 3.391 ( -0.000 9.486 7.572) 12.138 5.640 ( -0.000 9.412 0.562) 9.429 6.210 ( 0.000 -2.077 -0.675) 2.184 6.354 ( 0.000 -0.989 -0.296) 1.032 6.900 ( 0.000 0.275 -3.106) 3.118 7.623 ( 0.000 -12.521 1.289) 12.587 8.380 ( 0.000 -1.563 -4.640) 4.896 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -1.006 5.880 -6.468) 8.799 2.076 ( 5.404 5.486 -5.117) 9.245 2.132 ( 3.721 13.800 5.006) 15.145 2.468 ( 1.304 3.333 -5.700) 6.730 2.964 ( 0.531 1.883 2.726) 3.355 3.557 ( 2.116 14.647 6.527) 16.175 5.768 ( 4.037 9.396 0.758) 10.255 6.175 ( -2.170 -0.424 -1.160) 2.496 6.370 ( 2.233 0.417 -0.636) 2.359 6.900 ( 1.849 -2.717 -1.301) 3.535 7.495 ( -1.604 -11.271 0.426) 11.393 8.317 ( -4.205 -1.040 -3.833) 5.784 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 3.378 6.854 -2.606) 8.073 2.173 ( 2.806 4.580 -2.702) 6.012 2.381 ( 8.385 11.689 1.478) 14.461 2.523 ( 2.855 3.679 -3.146) 5.620 2.972 ( 0.693 -2.823 3.103) 4.252 3.735 ( 1.126 11.861 2.829) 12.246 5.949 ( 6.096 8.969 1.121) 10.902 6.137 ( -2.121 1.475 -1.361) 2.920 6.424 ( 2.950 1.882 -1.397) 3.768 6.899 ( 2.719 -4.396 -0.525) 5.196 7.361 ( -2.606 -9.185 0.104) 9.548 8.211 ( -5.957 -0.537 -2.476) 6.474 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 5.008 7.597 0.283) 9.104 2.254 ( 2.567 4.416 -1.926) 5.459 2.556 ( 2.237 3.659 1.315) 4.486 2.653 ( 5.504 7.440 -1.104) 9.320 2.985 ( 4.590 -2.183 2.266) 5.565 3.822 ( -1.623 5.874 -0.111) 6.095 6.114 ( 1.923 4.454 0.965) 4.947 6.150 ( 2.878 6.132 -0.710) 6.811 6.477 ( 1.397 1.310 -2.000) 2.769 6.917 ( 3.956 -2.305 -0.513) 4.607 7.238 ( -3.026 -6.163 0.299) 6.872 8.106 ( -4.871 -1.072 -1.076) 5.103 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 3.602 6.887 0.781) 7.811 2.332 ( 1.785 5.007 -0.709) 5.363 2.605 ( 1.158 0.920 0.277) 1.505 2.708 ( -1.615 -1.679 1.200) 2.621 3.138 ( 7.941 8.224 0.123) 11.433 3.804 ( -2.422 -1.052 -0.713) 2.736 6.169 ( 1.861 3.852 -0.267) 4.287 6.271 ( 2.790 4.789 0.849) 5.607 6.472 ( -0.956 -1.631 -1.684) 2.531 6.983 ( 2.749 3.266 -0.825) 4.348 7.153 ( -1.847 -2.527 0.645) 3.196 8.026 ( -2.064 -3.019 -0.254) 3.665 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.395 5.309 0.146) 5.326 2.399 ( -0.115 5.319 0.327) 5.330 2.609 ( -1.693 -1.411 0.297) 2.224 2.642 ( 0.059 -5.125 0.474) 5.148 3.312 ( -2.572 14.333 -1.388) 14.628 3.757 ( 3.567 -7.673 0.707) 8.491 6.245 ( 2.544 3.255 -0.177) 4.135 6.322 ( -1.819 2.202 0.460) 2.893 6.435 ( 1.515 -3.120 -0.840) 3.569 7.032 ( -2.722 6.772 0.106) 7.300 7.136 ( 0.280 0.007 -0.185) 0.336 7.981 ( 1.335 -4.622 -0.018) 4.811 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -6.692 2.397 0.510) 7.127 2.420 ( -1.055 1.640 -0.438) 1.998 2.574 ( 0.824 -0.804 1.059) 1.565 2.624 ( 0.921 -2.657 0.258) 2.824 3.285 ( -12.457 9.250 -1.063) 15.552 3.799 ( 7.245 -5.407 0.346) 9.047 6.259 ( -5.485 -0.353 0.282) 5.503 6.287 ( -0.468 0.882 0.167) 1.013 6.486 ( 5.812 -0.340 -1.266) 5.958 7.043 ( -4.228 7.619 0.430) 8.724 7.122 ( -0.735 -2.056 -0.368) 2.214 7.986 ( 3.881 -3.359 -0.045) 5.133 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -9.363 -1.020 1.165) 9.490 2.392 ( -2.981 -0.561 -2.138) 3.712 2.592 ( -1.382 2.360 0.261) 2.747 2.627 ( 1.724 -2.149 2.653) 3.825 3.134 ( -10.649 3.006 0.057) 11.065 3.840 ( 0.977 -1.778 -0.826) 2.190 6.159 ( -6.073 -0.268 0.851) 6.138 6.253 ( -3.699 -0.065 -0.210) 3.706 6.565 ( 2.976 -0.080 -2.361) 3.800 7.027 ( -2.182 2.016 -1.156) 3.188 7.111 ( 1.955 -1.439 1.309) 2.758 8.039 ( 4.442 -0.364 -0.332) 4.470 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 2.168 -6.348) 6.708 2.039 ( 0.000 4.847 -10.924) 11.951 2.237 ( -0.000 10.364 4.656) 11.361 2.483 ( 0.000 4.444 -2.057) 4.897 2.976 ( -0.000 -1.549 4.914) 5.153 3.714 ( -0.000 16.148 5.137) 16.945 5.818 ( -0.000 8.212 0.547) 8.231 6.196 ( 0.000 1.414 -1.943) 2.403 6.351 ( 0.000 0.847 -0.323) 0.906 6.853 ( 0.000 -4.033 0.711) 4.095 7.403 ( 0.000 -10.104 -0.870) 10.142 8.334 ( 0.000 -0.737 -3.199) 3.283 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.041 3.761 -3.336) 5.876 2.091 ( 5.624 1.077 -9.785) 11.337 2.380 ( 4.785 9.400 2.561) 10.854 2.531 ( 0.565 4.397 0.091) 4.434 2.958 ( -0.760 -3.828 5.141) 6.455 3.867 ( -0.688 13.101 2.381) 13.333 5.934 ( 4.736 7.019 0.531) 8.484 6.190 ( -2.090 3.049 -2.109) 4.256 6.388 ( 2.674 1.809 -0.662) 3.296 6.821 ( 1.213 -5.272 1.722) 5.678 7.302 ( -0.948 -8.096 -1.404) 8.272 8.288 ( -3.840 -0.203 -2.191) 4.426 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 6.224 5.773 0.203) 8.492 2.179 ( 6.932 0.174 -6.001) 9.171 2.574 ( 1.368 4.311 2.011) 4.950 2.594 ( 8.154 6.529 -1.231) 10.518 2.919 ( 0.126 -4.856 4.875) 6.882 3.940 ( -3.472 8.176 -0.295) 8.888 6.096 ( 6.138 5.354 0.659) 8.172 6.188 ( -1.394 4.638 -1.669) 5.123 6.451 ( 2.518 1.581 -1.191) 3.203 6.813 ( 3.772 -4.909 1.710) 6.422 7.213 ( -1.290 -5.442 -1.139) 5.707 8.198 ( -6.050 0.135 -1.133) 6.157 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 5.541 5.245 0.595) 7.652 2.289 ( 6.672 1.412 -2.208) 7.169 2.605 ( 0.241 1.113 0.718) 1.346 2.728 ( -0.837 0.149 -0.241) 0.884 2.995 ( 12.733 1.226 3.141) 13.172 3.905 ( -6.917 3.403 -1.559) 7.865 6.191 ( 0.632 4.204 -0.436) 4.274 6.256 ( 3.571 3.412 0.250) 4.946 6.472 ( -0.584 -0.316 -0.971) 1.176 6.887 ( 8.411 -1.349 0.613) 8.541 7.153 ( -1.001 -2.407 -0.321) 2.627 8.088 ( -6.494 -0.357 -0.402) 6.516 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 3.644 2.752 0.029) 4.567 2.408 ( 5.070 2.920 -0.479) 5.870 2.609 ( -0.228 -1.351 0.235) 1.390 2.644 ( -4.981 -3.012 0.187) 5.824 3.288 ( 15.682 4.503 1.218) 16.362 3.774 ( -9.784 -0.468 -1.087) 9.855 6.246 ( 1.346 3.796 -0.247) 4.035 6.324 ( 3.024 -0.265 0.336) 3.054 6.429 ( -3.347 -0.812 -0.232) 3.452 7.037 ( 7.502 1.767 -0.460) 7.721 7.130 ( -0.302 -0.402 0.486) 0.699 7.981 ( -4.761 -1.206 -0.076) 4.912 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.806 0.887 0.000) 1.198 2.495 ( -5.068 -5.938 0.008) 7.807 2.508 ( 3.011 3.672 -0.009) 4.749 2.613 ( -0.129 -0.162 0.001) 0.207 3.571 ( -13.177 3.273 0.081) 13.577 3.572 ( 13.825 -2.549 -0.081) 14.058 6.286 ( 0.556 0.659 0.033) 0.863 6.349 ( -2.850 -2.687 -0.090) 3.918 6.391 ( 2.979 2.771 0.057) 4.069 7.105 ( -0.512 -0.383 -0.004) 0.640 7.139 ( 0.507 0.400 0.003) 0.646 7.930 ( 0.067 0.074 -0.000) 0.100 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -7.077 -3.504 0.310) 7.903 2.415 ( -1.192 -0.706 -0.860) 1.631 2.576 ( 2.376 -0.741 1.188) 2.758 2.624 ( 0.609 2.653 0.264) 2.735 3.327 ( -11.678 -5.900 0.761) 13.106 3.765 ( 6.443 3.208 -1.098) 7.280 6.256 ( -5.039 0.030 -0.059) 5.039 6.293 ( -1.027 -0.739 0.622) 1.410 6.483 ( 4.979 1.207 -1.332) 5.293 7.034 ( -3.234 -7.150 -0.082) 7.848 7.134 ( -1.485 1.655 0.220) 2.234 7.984 ( 3.635 3.279 -0.121) 4.897 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 2.091 -2.687) 3.405 2.023 ( 0.000 1.399 -7.976) 8.098 2.421 ( -0.000 6.517 1.690) 6.732 2.572 ( -0.000 3.956 1.047) 4.092 2.939 ( -0.000 -4.647 4.854) 6.720 3.998 ( -0.000 10.714 0.790) 10.744 5.949 ( -0.000 4.849 0.238) 4.854 6.242 ( 0.000 4.705 -2.508) 5.331 6.381 ( -0.000 2.142 -0.156) 2.148 6.763 ( -0.000 -6.120 2.587) 6.644 7.236 ( 0.000 -5.966 -1.962) 6.281 8.314 ( 0.000 -0.016 -1.524) 1.524 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 6.783 3.079 0.117) 7.450 2.058 ( 4.061 1.513 -4.333) 6.128 2.523 ( 5.576 4.486 0.237) 7.160 2.606 ( -0.080 2.420 1.144) 2.678 2.897 ( -1.002 -4.888 3.964) 6.373 4.064 ( -2.322 6.638 -1.178) 7.130 6.036 ( 5.351 3.234 0.101) 6.253 6.264 ( -2.183 5.379 -1.661) 6.038 6.425 ( 2.341 2.137 -0.370) 3.191 6.720 ( 1.505 -6.334 2.166) 6.861 7.180 ( -0.541 -3.386 -1.588) 3.779 8.281 ( -3.576 0.264 -0.793) 3.672 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 7.725 -0.765 -3.240) 8.412 2.171 ( 7.035 5.630 3.191) 9.559 2.616 ( -0.105 0.425 0.187) 0.477 2.691 ( 7.935 3.098 -1.125) 8.592 2.851 ( 1.661 -4.758 4.039) 6.459 4.040 ( -5.270 2.850 -2.233) 6.394 6.163 ( 6.044 1.448 -0.178) 6.218 6.274 ( -1.565 4.046 -0.434) 4.360 6.474 ( 0.965 1.432 -0.035) 1.728 6.731 ( 6.311 -4.010 0.894) 7.530 7.146 ( -0.558 -0.963 -0.718) 1.325 8.199 ( -6.181 0.329 -0.272) 6.195 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 6.762 -1.173 -1.270) 6.979 2.333 ( 5.596 3.055 1.655) 6.587 2.606 ( -0.446 -1.140 -0.336) 1.269 2.704 ( -3.972 -1.090 -0.819) 4.200 3.019 ( 16.747 -1.247 2.415) 16.967 3.938 ( -8.060 0.909 -1.647) 8.277 6.246 ( 3.577 -0.353 -0.689) 3.660 6.278 ( -0.552 0.172 0.404) 0.705 6.482 ( -1.670 1.895 0.838) 2.661 6.867 ( 11.408 -0.480 -0.117) 11.419 7.135 ( -0.475 0.225 0.047) 0.527 8.086 ( -7.254 0.273 -0.028) 7.259 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 4.958 -4.040 -0.371) 6.406 2.417 ( 2.574 -1.092 0.328) 2.815 2.584 ( -1.070 0.680 -1.153) 1.713 2.627 ( -3.219 -0.008 -0.408) 3.244 3.278 ( 15.210 -5.669 0.689) 16.246 3.800 ( -9.056 2.900 0.097) 9.510 6.260 ( 1.806 -4.395 0.085) 4.752 6.291 ( 1.717 -0.310 -0.745) 1.897 6.473 ( -3.076 4.276 1.648) 5.519 7.046 ( 8.894 -0.321 -0.268) 8.903 7.119 ( -1.596 -1.128 0.193) 1.964 7.985 ( -4.869 1.615 0.090) 5.130 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.000 2.007 0.581) 2.090 2.052 ( -0.000 4.314 1.058) 4.442 2.503 ( -0.000 1.544 -0.438) 1.605 2.626 ( -0.000 0.920 0.891) 1.281 2.871 ( -0.000 -4.318 2.488) 4.984 4.126 ( 0.000 3.003 -2.652) 4.006 6.009 ( -0.000 1.411 -0.013) 1.411 6.342 ( -0.000 6.118 -0.725) 6.160 6.416 ( -0.000 1.172 -0.057) 1.173 6.651 ( 0.000 -6.186 1.151) 6.292 7.159 ( 0.000 -0.995 -1.213) 1.569 8.312 ( 0.000 0.307 -0.378) 0.488 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 5.441 0.708 0.497) 5.509 2.148 ( 4.030 6.390 5.100) 9.115 2.555 ( 5.954 -0.806 -1.418) 6.173 2.629 ( 0.258 -0.506 0.869) 1.038 2.827 ( -1.228 -3.671 1.273) 4.074 4.107 ( -2.307 -0.732 -3.562) 4.306 6.063 ( 5.333 -0.261 -0.229) 5.344 6.348 ( -3.136 2.102 0.495) 3.807 6.462 ( 2.533 1.283 0.624) 2.907 6.624 ( 2.520 -2.374 -0.296) 3.475 7.153 ( -0.473 1.047 -0.610) 1.301 8.285 ( -3.503 0.392 -0.108) 3.527 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 6.284 -1.460 -0.062) 6.452 2.296 ( 4.201 4.224 4.282) 7.336 2.589 ( 0.468 -2.814 -1.624) 3.282 2.720 ( 6.739 1.700 -1.303) 7.071 2.780 ( 3.433 -4.732 2.997) 6.570 4.024 ( -3.939 -2.987 -2.972) 5.768 6.147 ( 5.493 -2.789 -0.855) 6.219 6.303 ( -2.232 -1.694 0.760) 2.903 6.506 ( 1.696 0.738 1.406) 2.323 6.709 ( 7.064 2.854 -0.090) 7.619 7.157 ( -0.910 2.102 -0.242) 2.303 8.205 ( -6.234 0.430 -0.020) 6.249 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 5.327 -5.125 -0.855) 7.441 2.377 ( 2.337 -0.310 2.149) 3.190 2.567 ( 1.031 -1.933 -1.410) 2.605 2.688 ( -3.515 -0.249 -1.789) 3.952 2.980 ( 14.892 -3.241 2.407) 15.429 3.915 ( -4.469 -2.753 -1.106) 5.364 6.172 ( 2.771 -5.200 -1.225) 6.018 6.263 ( 0.193 -2.894 0.537) 2.950 6.545 ( 0.190 2.471 2.159) 3.287 6.886 ( 9.511 2.785 0.548) 9.926 7.152 ( -2.110 1.616 -0.399) 2.687 8.099 ( -6.633 1.175 0.076) 6.737 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.000 1.638 2.754) 3.204 2.201 ( -0.000 7.507 7.713) 10.763 2.474 ( 0.000 -3.858 -1.893) 4.297 2.618 ( 0.000 -1.783 0.606) 1.883 2.810 ( 0.000 -2.570 -0.398) 2.601 4.084 ( 0.000 -5.016 -4.612) 6.814 6.006 ( 0.000 -1.681 -0.136) 1.687 6.398 ( -0.000 -3.424 1.677) 3.812 6.417 ( 0.000 -1.047 -0.026) 1.047 6.614 ( -0.000 5.113 -0.451) 5.133 7.176 ( -0.000 2.960 -0.432) 2.991 8.319 ( -0.000 0.584 -0.097) 0.592 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 2.598 0.173 2.280) 3.461 2.301 ( 1.372 3.422 5.506) 6.627 2.478 ( 5.996 -5.768 -2.112) 8.584 2.622 ( 2.554 0.281 3.529) 4.365 2.774 ( -1.403 -1.536 -1.875) 2.800 3.996 ( -0.819 -8.274 -4.332) 9.376 6.023 ( 4.509 -3.799 -0.467) 5.914 6.317 ( -2.689 -4.766 0.576) 5.502 6.443 ( 3.668 -2.426 0.231) 4.404 6.702 ( 1.879 8.522 1.625) 8.877 7.203 ( -0.905 4.230 -0.499) 4.355 8.295 ( -3.611 0.793 -0.242) 3.705 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 2.474 -4.074 -0.083) 4.767 2.333 ( 1.961 -3.277 1.827) 4.234 2.492 ( 3.902 -5.662 -2.325) 7.259 2.706 ( -0.046 -4.124 1.474) 4.380 2.791 ( 7.221 6.140 2.226) 9.736 3.888 ( -0.196 -9.458 -2.695) 9.837 6.051 ( 4.486 -6.239 -1.258) 7.786 6.237 ( -1.369 -4.496 0.541) 4.731 6.500 ( 5.052 -1.705 0.685) 5.376 6.840 ( 3.675 8.521 3.166) 9.805 7.218 ( -2.351 4.478 -1.029) 5.161 8.219 ( -6.081 1.222 -0.265) 6.208 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -0.000 0.518 2.547) 2.599 2.325 ( -0.000 -2.249 2.328) 3.237 2.338 ( 0.000 -8.666 -1.913) 8.874 2.634 ( -0.000 3.386 7.915) 8.609 2.770 ( 0.000 0.550 -3.547) 3.589 3.882 ( 0.000 -13.040 -4.581) 13.821 5.939 ( 0.000 -5.163 -0.163) 5.166 6.291 ( 0.000 -5.864 -0.447) 5.881 6.385 ( 0.000 -1.911 0.013) 1.911 6.785 ( -0.000 9.560 3.558) 10.200 7.259 ( -0.000 5.865 -0.838) 5.924 8.335 ( 0.000 1.350 -0.715) 1.528 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -0.986 -3.802 -0.880) 4.026 2.248 ( 1.342 -8.715 -0.331) 8.824 2.328 ( 5.613 -7.975 -1.519) 9.870 2.678 ( -0.006 -2.738 4.872) 5.589 2.818 ( 1.594 10.019 1.769) 10.298 3.738 ( 1.612 -15.975 -3.414) 16.415 5.912 ( 3.439 -7.214 -0.435) 8.004 6.222 ( -1.566 -4.004 -0.489) 4.327 6.402 ( 3.803 -1.786 -0.073) 4.202 6.900 ( 1.406 8.944 5.238) 10.460 7.304 ( -1.702 6.781 -1.498) 7.150 8.316 ( -3.672 1.909 -1.081) 4.277 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 -8.405 -5.430) 10.007 2.145 ( 0.000 -13.171 -5.514) 14.278 2.180 ( -0.000 -5.255 4.811) 7.124 2.655 ( -0.000 -4.787 2.021) 5.196 2.929 ( -0.000 12.611 5.303) 13.681 3.532 ( 0.000 -20.846 -2.493) 20.995 5.808 ( 0.000 -8.153 0.096) 8.154 6.203 ( 0.000 -2.201 -1.183) 2.499 6.356 ( 0.000 -0.863 -0.109) 0.870 6.986 ( -0.000 7.510 6.720) 10.078 7.389 ( -0.000 8.375 -1.942) 8.597 8.365 ( 0.000 2.654 -2.035) 3.345 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.000 0.000 21.795) 21.795 0.617 ( -0.000 0.000 21.795) 21.795 1.082 ( -0.000 0.000 39.199) 39.199 2.075 ( 0.000 -0.000 -5.318) 5.318 2.075 ( 0.000 -0.000 -5.318) 5.318 3.917 ( 0.000 -0.000 -14.472) 14.472 5.243 ( 0.000 -0.000 -0.073) 0.073 5.243 ( 0.000 -0.000 -0.073) 0.073 6.479 ( -0.000 0.000 0.161) 0.161 6.479 ( -0.000 0.000 0.161) 0.161 8.298 ( -0.000 0.000 3.355) 3.355 8.625 ( 0.000 -0.000 -1.515) 1.515 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 4.940 2.852 17.959) 18.843 0.847 ( 6.321 3.649 23.206) 24.327 1.437 ( 20.504 11.838 24.978) 34.415 2.082 ( 3.545 2.046 -5.506) 6.861 2.099 ( 2.032 1.173 -4.693) 5.247 3.609 ( -10.070 -5.814 -6.372) 13.259 5.279 ( 2.798 1.615 0.024) 3.231 6.054 ( 42.354 24.453 -28.344) 56.527 6.457 ( -2.233 -1.289 -0.009) 2.579 6.459 ( -1.564 -0.903 0.107) 1.810 8.262 ( -4.580 -2.645 3.999) 6.631 8.544 ( -5.510 -3.181 -1.093) 6.456 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 11.442 6.606 10.871) 17.110 1.050 ( 6.761 3.904 18.747) 20.307 1.969 ( 19.618 11.327 -0.746) 22.666 2.138 ( 2.615 1.510 -3.875) 4.913 2.231 ( 11.957 6.903 6.887) 15.429 3.463 ( -2.431 -1.404 -6.635) 7.204 5.367 ( 5.039 2.909 0.042) 5.818 6.375 ( -4.523 -2.611 -0.683) 5.267 6.415 ( -2.231 -1.288 0.070) 2.578 6.687 ( 22.525 13.005 -19.382) 32.438 8.115 ( -9.532 -5.503 5.602) 12.350 8.408 ( -5.887 -3.399 -3.730) 7.754 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 13.149 7.591 5.701) 16.218 1.265 ( 8.834 5.101 9.343) 13.833 2.193 ( 3.175 1.833 -2.814) 4.622 2.242 ( 10.071 5.815 -10.779) 15.856 2.651 ( 18.279 10.553 10.520) 23.583 3.447 ( 2.308 1.333 -2.755) 3.833 5.502 ( 6.897 3.982 0.072) 7.964 6.260 ( -5.202 -3.003 -0.593) 6.035 6.367 ( -1.887 -1.089 0.020) 2.179 7.016 ( 11.407 6.586 -10.899) 17.097 7.882 ( -12.603 -7.276 5.238) 15.466 8.272 ( -4.631 -2.674 -4.484) 6.979 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 10.612 6.127 2.059) 12.426 1.500 ( 11.943 6.895 2.090) 13.948 2.263 ( 3.701 2.137 -1.449) 4.513 2.417 ( 7.910 4.567 -6.409) 11.158 2.984 ( 9.022 5.209 2.631) 10.745 3.558 ( 7.572 4.372 2.626) 9.130 5.667 ( 7.649 4.416 0.160) 8.833 6.160 ( -3.167 -1.829 -0.442) 3.684 6.338 ( -0.627 -0.362 -0.053) 0.726 7.143 ( 2.738 1.581 -8.124) 8.718 7.592 ( -14.198 -8.197 3.629) 16.791 8.200 ( -0.712 -0.411 -2.015) 2.176 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.029 5.213 -0.563) 10.441 1.743 ( 11.007 6.355 -2.097) 12.882 2.347 ( 3.870 2.235 0.101) 4.470 2.553 ( 5.530 3.193 -3.672) 7.366 3.084 ( 0.413 0.238 0.577) 0.748 3.756 ( 8.142 4.701 3.974) 10.207 5.830 ( 6.558 3.786 0.241) 7.576 6.131 ( 0.907 0.524 -0.383) 1.115 6.342 ( 1.036 0.598 -0.098) 1.201 7.103 ( -4.255 -2.457 -8.180) 9.542 7.303 ( -11.326 -6.539 3.899) 13.647 8.218 ( 2.021 1.167 0.117) 2.337 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.843 3.373 -2.226) 7.105 1.970 ( 10.189 5.883 -4.767) 12.695 2.427 ( 2.840 1.640 1.364) 3.552 2.637 ( 2.718 1.569 -2.396) 3.949 3.038 ( -4.072 -2.351 -0.031) 4.703 3.917 ( 4.987 2.879 4.630) 7.389 5.949 ( 3.952 2.281 0.216) 4.568 6.200 ( 5.251 3.032 -0.572) 6.091 6.378 ( 1.957 1.130 -0.048) 2.260 6.902 ( -10.558 -6.096 -3.612) 12.715 7.159 ( -3.201 -1.848 1.334) 3.929 8.268 ( 2.021 1.167 0.517) 2.390 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 3.367 1.944 -2.823) 4.805 2.167 ( 8.861 5.116 -6.361) 12.048 2.469 ( 0.172 0.099 1.972) 1.982 2.659 ( -0.151 -0.087 -1.437) 1.447 2.928 ( -5.020 -2.898 -1.368) 5.956 4.002 ( 1.100 0.635 5.712) 5.852 6.007 ( 1.180 0.681 0.133) 1.369 6.350 ( 7.873 4.545 -1.235) 9.174 6.415 ( 1.007 0.581 0.036) 1.163 6.670 ( -9.043 -5.221 -0.140) 10.443 7.130 ( 0.077 0.044 0.656) 0.662 8.302 ( 0.908 0.524 0.265) 1.081 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 1.495 0.863 -2.485) 3.026 2.318 ( 5.340 3.083 -4.482) 7.623 2.438 ( -3.477 -2.008 1.879) 4.433 2.642 ( 0.168 0.097 -2.091) 2.100 2.823 ( -3.831 -2.212 -2.062) 4.880 3.990 ( -3.970 -2.292 5.541) 7.191 6.004 ( -1.479 -0.854 0.089) 1.710 6.415 ( -5.157 -2.977 -0.190) 5.958 6.416 ( -0.877 -0.506 0.057) 1.014 6.618 ( 7.496 4.328 -0.901) 8.703 7.162 ( 2.534 1.463 1.068) 3.114 8.314 ( 0.222 0.128 0.450) 0.518 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -0.695 -0.401 -0.635) 1.024 2.322 ( -4.964 -2.866 2.659) 6.319 2.327 ( -6.605 -3.813 0.480) 7.642 2.716 ( 6.836 3.947 -9.876) 12.643 2.745 ( -1.892 -1.092 1.892) 2.890 3.844 ( -10.658 -6.153 3.936) 12.921 5.938 ( -4.444 -2.565 0.046) 5.131 6.283 ( -5.377 -3.104 1.182) 6.320 6.384 ( -1.656 -0.956 0.051) 1.913 6.820 ( 9.518 5.495 -4.150) 11.748 7.248 ( 4.861 2.806 1.606) 5.838 8.326 ( 0.815 0.471 1.353) 1.648 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.000 13.452 16.522) 21.306 0.949 ( -0.000 13.759 16.917) 21.806 1.466 ( -0.000 15.680 30.184) 34.014 2.010 ( 0.000 -1.257 -6.845) 6.959 2.128 ( 0.000 6.560 -5.130) 8.328 3.586 ( 0.000 -11.951 -7.951) 14.355 5.259 ( -0.000 2.333 -0.068) 2.334 5.976 ( 0.000 45.848 -23.725) 51.622 6.450 ( 0.000 -2.573 -0.172) 2.578 6.469 ( 0.000 -1.352 0.156) 1.361 8.270 ( -0.000 -5.698 4.037) 6.983 8.555 ( 0.000 -4.332 -1.792) 4.688 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -0.248 17.938 10.606) 20.840 1.137 ( 0.290 11.913 19.973) 23.257 1.823 ( 11.127 14.777 7.091) 19.810 2.063 ( 9.052 3.333 0.283) 9.650 2.193 ( 1.880 7.610 -2.562) 8.247 3.449 ( -1.868 -4.958 -7.860) 9.479 5.324 ( 3.661 3.614 0.023) 5.144 6.383 ( 1.090 0.161 -3.365) 3.541 6.439 ( -1.619 -1.520 0.076) 2.222 6.469 ( 13.454 21.423 -17.001) 30.479 8.175 ( -4.294 -9.082 4.953) 11.201 8.465 ( -4.937 -3.054 -3.443) 6.750 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 3.956 17.804 6.044) 19.214 1.303 ( 0.270 11.112 16.290) 19.720 2.043 ( 9.637 2.861 -8.609) 13.236 2.232 ( 1.895 9.437 -7.937) 12.476 2.495 ( 17.291 12.313 12.685) 24.729 3.401 ( 1.859 -0.879 -5.027) 5.431 5.445 ( 5.441 5.352 0.094) 7.633 6.297 ( -3.891 -4.596 -0.510) 6.043 6.395 ( -2.026 -0.784 -0.002) 2.172 6.846 ( 13.545 11.285 -12.141) 21.406 7.990 ( -8.134 -10.397 5.263) 14.211 8.327 ( -6.283 -2.326 -4.694) 8.180 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 4.426 10.693 5.114) 12.652 1.481 ( 4.614 15.865 6.625) 17.801 2.196 ( 7.285 2.701 -3.912) 8.699 2.344 ( 4.595 7.743 -7.059) 11.441 2.880 ( 11.918 8.105 4.170) 15.004 3.474 ( 6.874 2.748 0.264) 7.408 5.605 ( 6.456 6.820 0.215) 9.393 6.188 ( -3.563 -3.704 -0.347) 5.151 6.362 ( -1.656 0.616 -0.123) 1.771 7.055 ( 6.865 2.906 -8.240) 11.112 7.738 ( -11.618 -9.912 3.890) 15.759 8.212 ( -3.113 -1.606 -2.916) 4.558 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 5.925 9.463 4.073) 11.885 1.720 ( 5.150 13.534 -0.003) 14.481 2.318 ( 4.236 4.805 -1.429) 6.563 2.481 ( 5.851 4.828 -4.242) 8.692 3.058 ( 3.815 1.663 0.064) 4.162 3.662 ( 9.337 4.521 2.788) 10.742 5.782 ( 5.965 7.432 0.381) 9.537 6.123 ( -0.704 -1.635 -0.140) 1.786 6.355 ( -0.670 2.184 -0.231) 2.296 7.092 ( 0.146 -1.770 -7.687) 7.889 7.450 ( -12.682 -8.045 3.041) 15.323 8.185 ( 1.560 -1.028 -0.160) 1.875 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 5.025 7.572 1.941) 9.293 1.915 ( 4.941 11.161 -3.437) 12.681 2.425 ( 2.476 5.840 0.337) 6.352 2.592 ( 4.071 2.619 -2.664) 5.525 3.068 ( -1.873 -1.810 -0.593) 2.671 3.851 ( 7.459 2.759 3.288) 8.606 5.936 ( 3.542 6.993 0.487) 7.854 6.141 ( 3.511 0.742 -0.160) 3.592 6.380 ( 0.464 3.152 -0.234) 3.194 6.987 ( -6.721 -4.393 -6.347) 10.235 7.222 ( -7.251 -4.090 2.905) 8.817 8.221 ( 3.432 -1.361 0.763) 3.770 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 1.912 5.810 -0.681) 6.155 2.092 ( 5.894 8.911 -4.957) 11.778 2.504 ( -0.200 5.366 1.577) 5.596 2.648 ( 1.380 0.934 -1.882) 2.514 2.978 ( -4.900 -3.142 -1.661) 6.054 3.978 ( 4.352 0.422 4.675) 6.401 6.031 ( 0.209 5.834 0.403) 5.851 6.246 ( 6.931 1.960 -0.466) 7.218 6.423 ( 0.906 3.348 -0.194) 3.474 6.782 ( -9.722 -4.182 -2.047) 10.779 7.139 ( -1.513 -0.970 1.077) 2.095 8.262 ( 3.011 -2.127 0.463) 3.716 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 0.159 4.016 -1.904) 4.447 2.248 ( 5.525 6.430 -5.627) 10.175 2.521 ( -3.880 3.721 2.245) 5.826 2.651 ( -0.888 0.612 -1.451) 1.808 2.859 ( -4.471 -3.014 -2.226) 5.833 4.024 ( -0.154 -1.797 5.388) 5.682 6.058 ( -2.804 4.144 0.296) 5.012 6.358 ( 3.929 -1.684 -0.582) 4.315 6.477 ( 0.763 3.776 -1.096) 4.005 6.616 ( -4.709 0.602 0.530) 4.776 7.140 ( 1.384 0.494 0.777) 1.662 8.282 ( 2.169 -2.739 0.219) 3.501 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.961 1.595 -1.761) 2.563 2.336 ( 0.489 0.885 -2.476) 2.674 2.458 ( -7.512 1.700 2.439) 8.079 2.661 ( 1.704 4.799 -4.875) 7.050 2.767 ( -2.577 -2.776 -0.482) 3.818 3.956 ( -6.650 -4.182 4.594) 9.100 6.019 ( -5.464 1.736 0.363) 5.744 6.319 ( -3.172 -4.772 0.100) 5.731 6.444 ( -4.246 1.998 0.089) 4.693 6.721 ( 7.787 6.672 -2.425) 10.537 7.196 ( 3.968 1.271 1.052) 4.298 8.291 ( 2.258 -2.782 0.604) 3.634 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 18.503 9.881) 20.976 1.314 ( -0.000 15.222 10.556) 18.524 1.952 ( 0.000 -0.485 -6.552) 6.570 1.986 ( -0.000 23.058 15.130) 27.579 2.247 ( 0.000 7.990 -3.279) 8.637 3.390 ( 0.000 -4.635 -7.221) 8.581 5.334 ( -0.000 5.409 0.208) 5.413 6.364 ( 0.000 -3.349 -0.411) 3.374 6.432 ( 0.000 -2.317 -0.014) 2.318 6.533 ( 0.000 23.127 -15.413) 27.793 8.121 ( -0.000 -11.836 4.621) 12.706 8.469 ( 0.000 -2.641 -4.549) 5.260 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -1.207 17.743 3.558) 18.137 1.506 ( -0.190 15.327 13.901) 20.693 1.937 ( 2.938 2.892 -7.315) 8.397 2.270 ( 2.162 11.022 -11.380) 15.989 2.421 ( 10.922 15.821 14.690) 24.195 3.348 ( 1.177 -1.386 -4.153) 4.534 5.426 ( 3.563 6.837 0.366) 7.718 6.302 ( -2.282 -4.846 -0.242) 5.362 6.405 ( -0.534 -1.769 -0.156) 1.855 6.754 ( 7.459 13.873 -10.001) 18.658 7.984 ( -3.337 -12.943 4.377) 14.064 8.390 ( -4.687 -2.080 -5.410) 7.454 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 1.401 14.075 -0.570) 14.156 1.673 ( -2.232 16.724 13.452) 21.579 2.069 ( 9.454 4.613 -5.714) 11.971 2.348 ( 1.919 7.457 -8.692) 11.612 2.791 ( 10.688 11.693 4.919) 16.588 3.398 ( 5.077 2.761 0.680) 5.819 5.580 ( 5.562 8.370 0.524) 10.063 6.206 ( -3.283 -4.219 -0.342) 5.357 6.386 ( -0.532 -0.025 -0.405) 0.669 6.947 ( 7.030 4.538 -6.259) 10.449 7.792 ( -6.293 -12.316 3.703) 14.318 8.262 ( -5.770 -1.583 -4.644) 7.574 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 3.278 11.474 0.546) 11.946 1.844 ( -0.550 16.088 7.335) 17.690 2.264 ( 8.187 6.435 -2.800) 10.783 2.440 ( 3.720 5.954 -5.165) 8.716 3.000 ( 5.361 3.339 -0.498) 6.335 3.566 ( 8.271 5.631 2.815) 10.394 5.767 ( 5.995 9.460 0.713) 11.222 6.125 ( -2.025 -2.459 -0.185) 3.191 6.387 ( -0.300 2.114 -0.653) 2.233 7.029 ( 2.966 -1.161 -5.492) 6.349 7.561 ( -9.249 -10.021 2.553) 13.874 8.167 ( -2.047 -1.633 -1.899) 3.235 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 4.047 10.244 2.193) 11.230 1.993 ( -0.045 13.044 1.557) 13.137 2.439 ( 4.657 8.282 -0.534) 9.517 2.546 ( 4.021 4.045 -2.785) 6.347 3.059 ( 1.033 -0.766 -1.227) 1.778 3.756 ( 7.671 3.415 1.986) 8.628 5.953 ( 4.540 9.426 0.953) 10.505 6.103 ( 1.212 -0.153 -0.098) 1.225 6.411 ( -0.034 3.527 -0.753) 3.606 7.002 ( -1.666 -2.906 -5.549) 6.482 7.326 ( -9.298 -6.449 2.291) 11.545 8.149 ( 2.198 -2.646 0.210) 3.446 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 1.549 8.483 2.879) 9.091 2.113 ( 1.480 10.643 -2.835) 11.113 2.566 ( 1.290 6.629 1.124) 6.847 2.628 ( 2.293 3.520 -1.735) 4.545 3.021 ( -3.462 -1.423 -2.401) 4.447 3.896 ( 6.451 -0.087 2.722) 7.002 6.090 ( 1.477 7.407 1.090) 7.631 6.166 ( 4.732 2.496 -0.316) 5.359 6.445 ( 0.306 3.220 -0.654) 3.300 6.889 ( -7.036 -1.938 -3.569) 8.124 7.173 ( -4.108 -2.467 1.681) 5.078 8.173 ( 3.813 -3.937 0.534) 5.507 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.783 6.829 0.994) 7.127 2.234 ( 2.973 8.072 -3.878) 9.436 2.607 ( -1.225 1.328 1.394) 2.282 2.682 ( -0.359 4.577 -0.134) 4.593 2.921 ( -6.238 0.516 -3.720) 7.282 3.983 ( 4.119 -2.575 3.894) 6.226 6.155 ( -1.783 5.710 0.680) 6.020 6.274 ( 4.908 1.260 -0.393) 5.082 6.481 ( 1.451 2.172 -0.787) 2.728 6.745 ( -8.190 2.138 -0.625) 8.488 7.134 ( -0.199 -0.135 0.613) 0.659 8.195 ( 3.668 -4.888 0.210) 6.114 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -3.532 4.277 -0.390) 5.560 2.330 ( 1.829 4.537 -3.486) 6.006 2.572 ( -3.553 -0.700 2.243) 4.260 2.710 ( -0.247 3.313 0.924) 3.448 2.814 ( -7.228 3.456 -4.460) 9.169 3.994 ( -0.791 -4.067 3.692) 5.549 6.140 ( -5.250 3.076 0.772) 6.133 6.309 ( -0.258 -2.770 -0.461) 2.820 6.518 ( -0.439 2.042 -1.182) 2.400 6.710 ( -0.309 7.910 -0.327) 7.923 7.154 ( 2.155 0.367 0.492) 2.241 8.205 ( 3.440 -5.158 0.162) 6.202 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 16.613 3.541) 16.986 1.639 ( -0.000 13.808 1.063) 13.849 1.931 ( 0.000 1.630 -1.164) 2.003 2.313 ( 0.000 8.675 -13.752) 16.259 2.551 ( -0.000 20.259 13.571) 24.384 3.325 ( 0.000 0.878 -0.539) 1.030 5.469 ( -0.000 8.150 0.564) 8.170 6.276 ( 0.000 -4.518 -0.305) 4.528 6.386 ( 0.000 -2.210 -0.256) 2.224 6.794 ( 0.000 10.511 -6.140) 12.173 7.890 ( 0.000 -14.021 3.341) 14.414 8.395 ( 0.000 -1.800 -5.975) 6.240 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -2.337 12.015 -4.309) 12.977 1.863 ( 5.018 14.707 5.246) 16.401 1.973 ( 2.795 4.489 -0.920) 5.368 2.357 ( 1.390 6.206 -10.527) 12.299 2.806 ( 4.348 14.409 5.860) 16.151 3.378 ( 2.520 5.686 3.807) 7.292 5.587 ( 3.695 9.173 0.693) 9.914 6.214 ( -2.235 -3.672 -0.639) 4.346 6.375 ( 0.841 -1.063 -0.483) 1.439 6.888 ( 3.435 4.203 -2.987) 6.196 7.743 ( -2.283 -13.677 2.445) 14.080 8.324 ( -4.310 -1.233 -5.578) 7.156 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.898 10.159 -3.607) 10.946 2.032 ( -1.455 11.441 7.227) 13.611 2.162 ( 11.102 9.051 -3.487) 14.742 2.425 ( 2.861 5.486 -6.048) 8.652 2.965 ( 2.815 4.502 0.929) 5.390 3.534 ( 4.883 9.276 4.414) 11.374 5.764 ( 5.835 9.981 0.799) 11.589 6.141 ( -2.526 -2.072 -0.665) 3.334 6.392 ( 1.382 1.015 -0.877) 1.926 6.953 ( 3.160 -1.005 -1.951) 3.848 7.570 ( -4.144 -12.008 1.672) 12.813 8.214 ( -5.341 -0.775 -3.781) 6.589 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 4.337 9.914 -0.574) 10.837 2.127 ( -0.509 8.940 2.709) 9.356 2.420 ( 7.886 10.354 0.297) 13.019 2.518 ( 3.776 5.027 -3.430) 7.162 3.021 ( 2.058 -0.426 -0.038) 2.102 3.703 ( 4.244 6.471 1.756) 7.935 5.964 ( 5.732 9.896 0.959) 11.476 6.098 ( -0.802 0.040 -0.453) 0.922 6.430 ( 1.218 2.627 -1.169) 3.123 6.964 ( 1.321 -2.638 -2.301) 3.741 7.388 ( -5.812 -8.903 1.166) 10.696 8.127 ( -2.601 -1.496 -1.361) 3.295 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 3.788 9.090 1.077) 9.906 2.206 ( -0.418 8.127 0.645) 8.163 2.572 ( 2.681 3.049 0.193) 4.065 2.645 ( 3.203 8.056 -0.360) 8.677 3.041 ( 0.606 1.008 -1.517) 1.919 3.807 ( 3.941 0.905 0.842) 4.131 6.109 ( 1.882 2.739 0.678) 3.392 6.146 ( 3.934 7.558 0.121) 8.521 6.464 ( 0.272 1.990 -1.124) 2.302 6.943 ( -1.341 -0.012 -2.428) 2.774 7.227 ( -5.247 -4.794 1.164) 7.202 8.089 ( 0.961 -3.468 0.021) 3.599 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.413 7.522 1.725) 7.728 2.278 ( 0.159 7.590 -1.088) 7.669 2.614 ( 0.609 0.410 -0.254) 0.777 2.714 ( -0.017 0.381 1.293) 1.348 3.056 ( -4.128 9.219 -3.410) 10.661 3.873 ( 5.406 -3.909 1.969) 6.955 6.183 ( 3.305 2.979 0.324) 4.462 6.257 ( 1.093 5.097 0.232) 5.218 6.471 ( 0.414 -0.421 -0.772) 0.972 6.902 ( -5.661 5.024 -1.059) 7.642 7.145 ( -1.514 -1.121 0.534) 1.958 8.082 ( 3.080 -5.396 0.194) 6.217 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -4.250 5.793 1.117) 7.271 2.348 ( 0.759 5.402 -1.771) 5.736 2.602 ( -1.336 -1.246 0.715) 1.961 2.696 ( 0.649 -3.581 0.865) 3.740 3.044 ( -9.369 12.910 -3.135) 16.257 3.921 ( 4.741 -5.756 2.213) 7.779 6.239 ( -2.379 2.761 0.701) 3.711 6.282 ( 0.625 -0.263 -0.421) 0.799 6.491 ( 3.054 -0.226 -1.005) 3.223 6.866 ( -6.217 9.403 0.152) 11.273 7.136 ( 0.355 -0.041 -0.061) 0.363 8.086 ( 3.914 -6.083 0.046) 7.234 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 5.921 -9.162) 10.908 1.859 ( 0.000 10.587 -6.086) 12.211 2.059 ( -0.000 8.951 7.257) 11.524 2.374 ( 0.000 5.880 -7.711) 9.697 2.919 ( -0.000 10.053 4.733) 11.111 3.453 ( -0.000 11.018 6.460) 12.772 5.646 ( -0.000 9.401 0.724) 9.429 6.201 ( 0.000 -2.418 -1.305) 2.748 6.351 ( 0.000 -1.001 -0.409) 1.081 6.886 ( -0.000 1.458 -0.061) 1.460 7.633 ( 0.000 -13.535 1.016) 13.573 8.335 ( 0.000 -0.774 -5.430) 5.485 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.385 6.697 -6.366) 9.248 2.009 ( 8.262 4.414 -9.361) 13.243 2.185 ( 2.032 11.460 6.069) 13.126 2.428 ( 1.347 5.942 -3.130) 6.850 2.992 ( -0.176 2.774 3.417) 4.404 3.610 ( 1.394 13.513 5.262) 14.569 5.774 ( 4.124 9.362 0.681) 10.253 6.162 ( -1.976 -0.770 -1.595) 2.654 6.364 ( 1.990 0.373 -0.646) 2.125 6.900 ( 1.421 -1.909 1.399) 2.760 7.497 ( -1.342 -12.200 -0.005) 12.274 8.281 ( -3.919 -0.149 -4.243) 5.778 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 4.726 7.880 -2.234) 9.456 2.136 ( 5.971 2.398 -5.521) 8.478 2.399 ( 7.681 11.888 2.357) 14.348 2.505 ( 2.051 4.845 -1.017) 5.359 3.000 ( -0.153 -1.506 3.090) 3.441 3.756 ( 0.228 10.519 1.869) 10.687 5.957 ( 6.294 8.996 0.631) 10.997 6.125 ( -1.855 1.160 -1.338) 2.564 6.414 ( 2.665 1.753 -1.019) 3.349 6.903 ( 1.891 -3.638 1.386) 4.328 7.359 ( -2.146 -9.881 -0.406) 10.119 8.190 ( -5.451 0.121 -2.424) 5.967 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.536 7.981 0.072) 9.714 2.236 ( 4.133 3.440 -2.091) 5.770 2.566 ( 1.505 3.211 0.914) 3.662 2.645 ( 6.470 8.383 -0.624) 10.608 3.006 ( 3.031 -1.164 2.367) 4.018 3.819 ( -1.869 4.999 -0.433) 5.355 6.117 ( 0.751 3.129 -0.135) 3.221 6.148 ( 4.510 7.291 -0.024) 8.573 6.463 ( 1.298 1.233 -1.053) 2.076 6.917 ( 3.005 -1.607 0.505) 3.445 7.239 ( -2.489 -6.553 -0.165) 7.011 8.097 ( -4.420 -0.831 -0.842) 4.576 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 3.707 6.567 0.259) 7.546 2.328 ( 2.397 4.920 -0.215) 5.477 2.607 ( 0.820 1.057 0.099) 1.341 2.715 ( -1.249 -1.780 0.405) 2.212 3.139 ( 6.414 9.118 0.048) 11.148 3.799 ( -1.618 -1.674 -0.255) 2.342 6.167 ( 2.009 3.703 -0.118) 4.215 6.277 ( 2.801 4.837 0.328) 5.599 6.462 ( -0.879 -1.516 -0.591) 1.849 6.978 ( 2.395 3.646 -0.295) 4.372 7.157 ( -1.671 -2.683 0.220) 3.169 8.024 ( -1.863 -3.031 -0.090) 3.559 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 0.537 4.741 -0.002) 4.771 2.403 ( -0.168 5.826 0.529) 5.853 2.610 ( -1.299 -1.074 0.004) 1.685 2.644 ( -0.210 -5.693 0.170) 5.699 3.300 ( -3.416 15.121 -1.435) 15.568 3.765 ( 4.248 -8.193 0.985) 9.281 6.245 ( 2.613 3.179 0.033) 4.115 6.325 ( -1.965 2.306 0.095) 3.031 6.429 ( 1.473 -3.103 -0.350) 3.453 7.034 ( -2.347 7.059 0.294) 7.445 7.133 ( -0.073 -0.204 -0.355) 0.416 7.981 ( 1.355 -4.661 0.031) 4.854 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 3.829 -5.734) 6.895 1.940 ( 0.000 4.512 -11.216) 12.090 2.275 ( -0.000 8.948 3.981) 9.794 2.474 ( -0.000 6.270 -0.033) 6.271 3.018 ( -0.000 -0.852 4.352) 4.435 3.754 ( -0.000 14.397 3.836) 14.899 5.823 ( -0.000 8.090 0.522) 8.106 6.176 ( 0.000 1.105 -2.350) 2.597 6.348 ( 0.000 0.916 -0.333) 0.975 6.870 ( -0.000 -3.623 3.308) 4.906 7.393 ( 0.000 -10.833 -1.401) 10.923 8.304 ( 0.000 0.260 -3.574) 3.583 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.053 5.489 -2.153) 7.155 2.007 ( 6.576 2.098 -8.959) 11.310 2.401 ( 4.369 8.197 2.107) 9.524 2.537 ( 0.403 5.080 1.166) 5.228 3.000 ( -0.906 -3.511 4.369) 5.678 3.882 ( -1.127 11.585 1.040) 11.686 5.938 ( 4.804 6.891 0.315) 8.406 6.171 ( -1.806 2.963 -2.114) 4.063 6.383 ( 2.387 1.862 -0.489) 3.067 6.845 ( 0.866 -5.197 3.600) 6.381 7.287 ( -0.684 -8.461 -1.911) 8.701 8.268 ( -3.654 0.643 -2.319) 4.375 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 6.242 6.954 0.637) 9.366 2.129 ( 8.590 0.930 -5.066) 10.016 2.581 ( 3.266 3.983 -0.587) 5.184 2.595 ( 5.355 6.174 1.727) 8.353 2.959 ( 0.100 -4.622 4.366) 6.359 3.933 ( -3.773 7.281 -1.310) 8.305 6.100 ( 6.240 5.154 0.059) 8.093 6.175 ( -1.050 4.846 -1.244) 5.112 6.443 ( 2.307 1.728 -0.564) 2.937 6.832 ( 3.176 -5.116 2.638) 6.574 7.201 ( -0.853 -5.437 -1.451) 5.692 8.188 ( -5.829 0.650 -1.086) 5.964 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 5.507 4.721 -0.538) 7.274 2.276 ( 7.262 2.610 -0.708) 7.749 2.610 ( 0.117 0.926 0.530) 1.073 2.723 ( -0.014 0.217 -0.845) 0.872 3.025 ( 11.240 0.937 3.595) 11.838 3.890 ( -6.700 3.147 -1.918) 7.647 6.186 ( 0.655 4.281 -0.442) 4.353 6.258 ( 3.911 3.395 0.022) 5.179 6.468 ( -0.629 0.045 -0.090) 0.638 6.894 ( 7.769 -1.720 0.881) 8.005 7.149 ( -0.568 -2.224 -0.446) 2.338 8.085 ( -6.358 -0.156 -0.322) 6.368 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 3.440 -1.579) 3.786 1.966 ( 0.000 4.339 -4.925) 6.564 2.433 ( -0.000 5.592 0.975) 5.677 2.583 ( -0.000 3.957 1.533) 4.243 2.979 ( -0.000 -5.042 4.082) 6.487 3.998 ( -0.000 9.325 -0.874) 9.365 5.950 ( -0.000 4.726 0.140) 4.728 6.221 ( 0.000 4.963 -2.121) 5.398 6.379 ( -0.000 2.210 -0.131) 2.214 6.791 ( -0.000 -6.730 3.712) 7.686 7.217 ( 0.000 -5.800 -2.334) 6.252 8.300 ( 0.000 0.742 -1.591) 1.756 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 7.192 2.551 -0.686) 7.662 2.038 ( 3.631 5.827 0.015) 6.866 2.522 ( 5.210 3.763 -0.387) 6.438 2.617 ( 0.019 2.217 1.507) 2.681 2.930 ( -0.803 -5.624 3.537) 6.693 4.046 ( -2.334 5.709 -2.744) 6.751 6.036 ( 5.317 3.129 -0.091) 6.170 6.251 ( -1.990 5.993 -1.093) 6.409 6.423 ( 2.230 2.265 -0.150) 3.182 6.740 ( 1.375 -7.355 2.472) 7.880 7.165 ( -0.359 -2.911 -1.717) 3.398 8.274 ( -3.506 0.770 -0.784) 3.674 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 7.431 0.635 -2.126) 7.755 2.201 ( 6.408 6.307 3.654) 9.705 2.615 ( 0.598 -0.004 -0.464) 0.757 2.684 ( 6.191 2.509 -0.563) 6.704 2.886 ( 2.677 -5.193 4.034) 7.100 4.015 ( -4.910 2.583 -3.292) 6.451 6.160 ( 5.962 1.298 -0.481) 6.121 6.272 ( -1.419 4.597 -0.014) 4.811 6.476 ( 1.012 1.951 0.414) 2.236 6.738 ( 6.103 -4.980 0.823) 7.920 7.140 ( -0.285 -0.569 -0.731) 0.969 8.197 ( -6.127 0.562 -0.255) 6.158 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -0.000 2.913 1.553) 3.301 2.073 ( -0.000 7.212 3.636) 8.077 2.497 ( 0.000 0.958 -1.073) 1.438 2.635 ( -0.000 0.574 1.176) 1.308 2.893 ( -0.000 -5.388 2.422) 5.907 4.095 ( 0.000 2.294 -4.298) 4.872 6.008 ( -0.000 1.365 -0.067) 1.367 6.338 ( -0.000 7.332 -0.011) 7.332 6.415 ( -0.000 1.183 -0.060) 1.185 6.660 ( 0.000 -7.587 0.935) 7.644 7.148 ( 0.000 -0.450 -1.263) 1.341 8.309 ( 0.000 0.633 -0.385) 0.741 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.324 1.601 1.349) 4.804 2.197 ( 3.625 7.757 5.827) 10.356 2.540 ( 5.555 -1.195 -1.929) 6.000 2.639 ( 0.655 -0.575 1.223) 1.501 2.841 ( -0.858 -4.896 1.817) 5.292 4.069 ( -1.941 -0.959 -4.808) 5.273 6.061 ( 5.170 -0.337 -0.288) 5.189 6.353 ( -3.288 2.584 0.598) 4.224 6.468 ( 2.725 1.970 0.907) 3.482 6.621 ( 2.681 -3.268 -0.431) 4.249 7.147 ( -0.374 1.360 -0.763) 1.603 8.284 ( -3.484 0.495 -0.171) 3.523 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.000 1.932 2.874) 3.463 2.266 ( -0.000 7.988 6.962) 10.596 2.456 ( 0.000 -4.104 -2.072) 4.598 2.627 ( -0.000 -1.226 1.333) 1.811 2.811 ( 0.000 -3.927 0.694) 3.988 4.039 ( 0.000 -4.959 -5.496) 7.402 6.005 ( 0.000 -1.710 -0.123) 1.715 6.410 ( 0.000 -4.428 1.046) 4.550 6.416 ( 0.000 -1.023 -0.046) 1.024 6.613 ( -0.000 6.681 0.211) 6.684 7.170 ( -0.000 3.065 -0.815) 3.172 8.317 ( 0.000 0.488 -0.297) 0.571 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -0.000 0.000 19.750) 19.750 0.800 ( -0.000 0.000 19.750) 19.750 1.416 ( -0.000 0.000 36.652) 36.652 2.022 ( 0.000 -0.000 -6.573) 6.573 2.022 ( 0.000 -0.000 -6.573) 6.573 3.775 ( 0.000 -0.000 -17.645) 17.645 5.242 ( 0.000 -0.000 -0.073) 0.073 5.242 ( 0.000 -0.000 -0.073) 0.073 6.480 ( -0.000 0.000 0.167) 0.167 6.480 ( -0.000 0.000 0.167) 0.167 8.330 ( -0.000 0.000 3.844) 3.844 8.609 ( 0.000 -0.000 -1.953) 1.953 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 2.764 1.596 18.119) 18.398 1.042 ( 7.920 4.573 20.884) 22.799 1.640 ( 10.762 6.213 19.995) 23.542 2.044 ( 6.079 3.510 -1.926) 7.279 2.051 ( 2.480 1.432 -6.088) 6.728 3.532 ( -8.977 -5.183 -10.863) 15.015 5.279 ( 2.807 1.620 -0.173) 3.246 5.854 ( 38.405 22.173 -17.750) 47.766 6.457 ( -2.374 -1.371 -0.086) 2.743 6.460 ( -1.577 -0.910 0.203) 1.832 8.298 ( -4.115 -2.376 4.269) 6.387 8.530 ( -5.840 -3.372 -2.071) 7.054 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.854 5.112 13.207) 16.701 1.230 ( 3.617 2.088 21.578) 21.978 1.913 ( 12.091 6.981 -10.060) 17.208 2.097 ( 3.169 1.830 -5.357) 6.488 2.327 ( 16.407 9.473 12.906) 22.924 3.395 ( -1.224 -0.707 -8.567) 8.683 5.366 ( 5.068 2.926 -0.291) 5.859 6.367 ( -3.727 -2.152 -1.133) 4.450 6.416 ( -2.257 -1.303 0.239) 2.618 6.534 ( 24.698 14.259 -15.028) 32.236 8.164 ( -9.234 -5.331 5.567) 12.028 8.374 ( -6.599 -3.810 -3.855) 8.540 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 11.077 6.395 8.436) 15.322 1.366 ( 4.810 2.777 13.324) 14.435 2.150 ( 11.734 6.774 -10.021) 16.852 2.161 ( 3.859 2.228 -4.311) 6.200 2.733 ( 15.265 8.813 7.974) 19.346 3.416 ( 4.677 2.700 -4.155) 6.814 5.501 ( 6.971 4.025 -0.304) 8.055 6.256 ( -5.132 -2.963 -0.283) 5.933 6.368 ( -1.937 -1.118 0.227) 2.248 6.921 ( 13.072 7.547 -10.206) 18.221 7.924 ( -13.232 -7.639 4.175) 15.839 8.241 ( -4.021 -2.322 -2.516) 5.282 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 10.298 5.946 4.528) 12.724 1.538 ( 7.864 4.540 6.523) 11.181 2.245 ( 4.517 2.608 -2.836) 5.937 2.364 ( 9.229 5.329 -5.449) 11.969 3.003 ( 7.397 4.271 1.363) 8.649 3.571 ( 9.132 5.272 0.355) 10.551 5.667 ( 7.750 4.474 -0.172) 8.950 6.159 ( -3.131 -1.808 0.191) 3.621 6.338 ( -0.689 -0.398 0.146) 0.809 7.068 ( 3.032 1.750 -8.481) 9.175 7.620 ( -14.347 -8.283 2.569) 16.764 8.194 ( 0.002 0.001 0.532) 0.532 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.785 4.494 1.313) 9.084 1.742 ( 9.013 5.204 2.069) 10.611 2.343 ( 4.676 2.700 -1.017) 5.494 2.523 ( 6.103 3.524 -3.212) 7.745 3.085 ( 0.268 0.155 -0.539) 0.621 3.783 ( 8.744 5.048 1.948) 10.283 5.831 ( 6.627 3.826 0.013) 7.652 6.132 ( 0.804 0.464 0.502) 1.056 6.342 ( 1.001 0.578 0.046) 1.157 7.032 ( -3.805 -2.197 -7.974) 9.104 7.334 ( -11.067 -6.390 3.159) 13.164 8.226 ( 2.058 1.188 1.609) 2.870 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.103 2.946 -1.018) 5.980 1.940 ( 8.589 4.959 -1.919) 10.102 2.436 ( 3.396 1.960 0.600) 3.967 2.617 ( 3.051 1.762 -2.244) 4.177 3.030 ( -4.298 -2.481 -1.604) 5.215 3.955 ( 5.745 3.317 3.795) 7.642 5.951 ( 3.957 2.284 0.109) 4.570 6.199 ( 4.967 2.868 0.350) 5.746 6.378 ( 1.970 1.138 0.018) 2.275 6.866 ( -8.557 -4.940 -4.411) 10.821 7.175 ( -4.112 -2.374 2.172) 5.222 8.275 ( 1.750 1.011 1.066) 2.285 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 3.098 1.788 -2.341) 4.275 2.114 ( 8.034 4.639 -5.475) 10.772 2.485 ( 0.419 0.242 1.611) 1.682 2.647 ( 0.181 0.105 -1.384) 1.400 2.913 ( -5.120 -2.956 -2.068) 6.263 4.052 ( 1.456 0.841 5.409) 5.664 6.008 ( 1.167 0.674 0.109) 1.352 6.341 ( 7.236 4.178 -0.675) 8.383 6.415 ( 1.022 0.590 0.053) 1.181 6.667 ( -7.856 -4.535 -0.594) 9.090 7.138 ( -0.049 -0.028 1.067) 1.069 8.305 ( 0.774 0.447 0.351) 0.960 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -0.000 10.290 17.595) 20.383 1.086 ( -0.000 11.684 14.001) 18.236 1.715 ( -0.000 10.220 25.120) 27.119 1.949 ( 0.000 -1.262 -6.919) 7.033 2.084 ( 0.000 7.409 -3.880) 8.364 3.498 ( 0.000 -10.060 -11.871) 15.560 5.260 ( -0.000 2.383 0.127) 2.387 5.809 ( -0.000 41.500 -14.652) 44.010 6.450 ( 0.000 -2.896 -0.023) 2.896 6.470 ( 0.000 -1.386 0.052) 1.387 8.307 ( -0.000 -5.322 4.248) 6.810 8.535 ( 0.000 -5.012 -2.610) 5.651 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -1.130 13.863 12.520) 18.714 1.306 ( 3.701 9.986 18.195) 21.083 1.824 ( 1.160 6.534 -5.033) 8.329 2.056 ( 6.323 5.573 -4.550) 9.578 2.225 ( 9.504 10.270 10.628) 17.571 3.372 ( -1.325 -3.562 -9.505) 10.236 5.324 ( 3.540 3.762 0.012) 5.166 6.296 ( 15.809 25.474 -12.986) 32.672 6.403 ( -0.732 -1.800 -1.568) 2.497 6.440 ( -1.484 -1.494 0.076) 2.107 8.219 ( -3.926 -8.946 5.046) 10.996 8.432 ( -5.181 -4.021 -4.039) 7.702 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.632 13.533 7.606) 15.943 1.456 ( -2.081 9.415 17.832) 20.272 1.963 ( 10.778 4.945 -9.308) 15.075 2.160 ( 2.640 7.924 -8.412) 11.854 2.596 ( 14.797 10.587 9.978) 20.751 3.353 ( 3.163 1.312 -5.655) 6.611 5.444 ( 5.347 5.593 -0.140) 7.739 6.294 ( -3.900 -4.525 -0.204) 5.977 6.396 ( -1.957 -0.939 0.048) 2.171 6.749 ( 14.513 13.453 -9.655) 22.019 8.034 ( -8.378 -10.835 4.592) 14.445 8.289 ( -5.676 -2.616 -3.832) 7.331 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 5.855 10.578 3.397) 12.558 1.582 ( 0.008 12.292 12.734) 17.699 2.159 ( 8.697 3.430 -4.295) 10.288 2.283 ( 5.662 8.433 -6.605) 12.116 2.908 ( 9.915 6.031 2.178) 11.808 3.470 ( 8.164 4.758 -1.081) 9.511 5.606 ( 6.412 7.116 -0.119) 9.579 6.188 ( -3.457 -3.707 0.184) 5.072 6.362 ( -1.602 0.392 0.048) 1.650 6.985 ( 6.771 3.974 -7.451) 10.824 7.766 ( -12.147 -10.107 2.423) 15.986 8.196 ( -1.717 -1.769 -0.507) 2.517 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 6.249 8.918 2.464) 11.164 1.751 ( 1.699 12.020 6.926) 13.976 2.300 ( 5.127 5.322 -2.526) 7.810 2.446 ( 6.565 5.371 -3.504) 9.177 3.055 ( 3.630 1.114 -0.841) 3.889 3.677 ( 9.728 5.147 0.543) 11.019 5.784 ( 5.941 7.738 0.043) 9.756 6.125 ( -0.643 -1.755 0.660) 1.982 6.354 ( -0.612 1.958 -0.007) 2.051 7.026 ( -0.257 -1.130 -7.223) 7.315 7.473 ( -12.312 -7.968 2.103) 14.815 8.191 ( 2.172 -1.339 1.663) 3.046 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 4.448 7.508 3.575) 9.430 1.895 ( 2.392 10.149 -0.467) 10.438 2.424 ( 3.220 6.378 -0.526) 7.164 2.569 ( 4.309 2.886 -2.395) 5.712 3.057 ( -1.996 -2.121 -1.953) 3.507 3.874 ( 8.324 3.094 1.961) 9.094 5.939 ( 3.467 7.276 0.221) 8.063 6.144 ( 3.417 0.475 0.797) 3.540 6.379 ( 0.543 2.988 -0.026) 3.037 6.932 ( -5.664 -3.299 -6.001) 8.887 7.247 ( -7.531 -4.499 2.678) 9.172 8.232 ( 3.312 -1.722 1.565) 4.048 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.043 6.458 0.600) 6.486 2.054 ( 5.030 8.138 -3.358) 10.139 2.516 ( 0.203 5.814 1.008) 5.905 2.632 ( 1.647 1.069 -1.764) 2.639 2.958 ( -4.852 -3.448 -2.772) 6.566 4.016 ( 5.217 0.515 3.986) 6.586 6.034 ( 0.079 6.022 0.267) 6.028 6.245 ( 6.613 1.678 0.327) 6.830 6.422 ( 0.919 3.158 -0.045) 3.289 6.762 ( -8.275 -3.303 -2.447) 9.240 7.151 ( -1.947 -1.344 1.557) 2.832 8.267 ( 2.770 -2.358 0.672) 3.699 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 14.935 12.499) 19.475 1.386 ( -0.000 12.843 5.198) 13.855 1.905 ( 0.000 0.417 -3.681) 3.705 2.031 ( 0.000 13.895 -5.770) 15.046 2.288 ( -0.000 12.447 12.702) 17.784 3.323 ( 0.000 -2.253 -7.754) 8.075 5.338 ( -0.000 5.491 0.494) 5.513 6.360 ( 0.000 0.905 -0.565) 1.067 6.419 ( 0.000 21.741 -10.245) 24.034 6.432 ( 0.000 -2.378 -0.177) 2.385 8.162 ( -0.000 -12.080 4.674) 12.953 8.426 ( 0.000 -3.502 -5.124) 6.206 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.240 13.701 3.581) 14.337 1.615 ( 4.802 12.605 10.333) 16.992 1.884 ( 0.174 4.644 -4.138) 6.222 2.162 ( 3.239 9.392 -12.877) 16.265 2.543 ( 8.435 14.142 12.677) 20.781 3.311 ( 1.595 1.823 -3.895) 4.586 5.430 ( 3.454 6.993 0.462) 7.813 6.300 ( -2.355 -4.984 -0.162) 5.515 6.403 ( -0.527 -1.858 -0.296) 1.954 6.681 ( 7.699 16.572 -6.488) 19.391 8.022 ( -3.228 -13.592 4.153) 14.575 8.341 ( -4.380 -2.467 -5.473) 7.431 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 1.997 11.524 -0.141) 11.697 1.792 ( -2.541 14.673 13.086) 19.824 2.021 ( 10.330 5.338 -5.099) 12.697 2.268 ( 3.722 8.305 -9.052) 12.836 2.830 ( 8.036 9.029 3.706) 12.642 3.401 ( 5.463 5.706 0.236) 7.903 5.583 ( 5.472 8.619 0.321) 10.214 6.204 ( -3.158 -4.345 -0.127) 5.372 6.383 ( -0.496 -0.250 -0.329) 0.645 6.901 ( 6.486 6.172 -4.132) 9.861 7.821 ( -6.542 -12.885 2.767) 14.713 8.226 ( -4.513 -1.741 -3.466) 5.951 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 4.596 10.689 0.277) 11.639 1.922 ( -2.451 13.760 9.712) 17.020 2.237 ( 8.978 7.223 -3.552) 12.058 2.397 ( 4.997 6.724 -4.362) 9.444 2.995 ( 4.700 2.793 -0.679) 5.510 3.582 ( 7.787 6.497 0.933) 10.184 5.772 ( 5.964 9.752 0.292) 11.435 6.126 ( -1.818 -2.646 0.289) 3.224 6.383 ( -0.218 1.801 -0.327) 1.843 6.986 ( 1.944 -0.077 -4.199) 4.628 7.579 ( -9.377 -10.189 1.394) 13.917 8.158 ( -0.617 -2.029 -0.215) 2.132 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.846 10.079 0.941) 11.223 2.026 ( -2.223 11.189 5.475) 12.653 2.432 ( 5.258 9.559 -1.123) 10.967 2.522 ( 4.420 4.247 -2.468) 6.608 3.046 ( 0.691 -0.882 -1.942) 2.242 3.767 ( 7.928 3.601 0.673) 8.733 5.959 ( 4.558 9.770 0.394) 10.789 6.106 ( 1.287 -0.488 0.661) 1.527 6.406 ( 0.098 3.214 -0.231) 3.223 6.957 ( -2.278 -1.837 -4.541) 5.403 7.342 ( -8.865 -6.631 1.574) 11.182 8.156 ( 2.684 -3.141 1.203) 4.303 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 2.722 8.331 1.659) 8.920 2.100 ( -1.704 10.097 0.735) 10.266 2.574 ( 1.649 6.533 0.853) 6.792 2.612 ( 2.433 4.818 -1.894) 5.721 2.994 ( -3.773 -1.907 -3.527) 5.505 3.918 ( 7.365 -0.048 2.169) 7.678 6.097 ( 1.304 7.751 0.564) 7.880 6.167 ( 4.742 2.031 0.525) 5.185 6.441 ( 0.412 2.951 -0.092) 2.981 6.858 ( -6.303 -0.758 -3.284) 7.147 7.188 ( -4.337 -2.995 1.641) 5.520 8.179 ( 3.716 -4.289 0.876) 5.742 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 10.251 -6.564) 12.173 1.627 ( -0.000 12.137 3.166) 12.543 1.950 ( -0.000 4.559 4.807) 6.625 2.187 ( 0.000 10.432 -14.159) 17.588 2.666 ( -0.000 16.110 11.881) 20.017 3.321 ( -0.000 4.691 -0.095) 4.692 5.475 ( -0.000 8.192 0.785) 8.229 6.272 ( 0.000 -4.822 -0.612) 4.861 6.383 ( 0.000 -2.257 -0.398) 2.292 6.756 ( -0.000 12.864 -2.475) 13.100 7.919 ( 0.000 -14.900 3.110) 15.221 8.341 ( 0.000 -1.862 -6.195) 6.469 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -1.276 9.570 -5.544) 11.133 1.858 ( 10.808 8.841 -5.041) 14.845 2.009 ( -1.676 8.253 7.252) 11.113 2.270 ( 2.370 8.985 -8.537) 12.618 2.858 ( 2.384 11.401 5.506) 12.884 3.409 ( 2.341 8.552 3.255) 9.445 5.593 ( 3.638 9.224 0.697) 9.940 6.207 ( -2.067 -3.991 -0.877) 4.579 6.370 ( 0.769 -1.152 -0.510) 1.476 6.874 ( 2.928 5.737 0.052) 6.441 7.763 ( -2.165 -14.629 1.984) 14.921 8.275 ( -3.768 -0.948 -5.385) 6.640 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 3.612 9.833 -2.965) 10.887 2.061 ( 4.369 4.005 -2.583) 6.465 2.154 ( 6.876 13.804 3.349) 15.781 2.382 ( 3.350 7.389 -3.335) 8.772 2.976 ( 1.571 4.540 1.360) 4.993 3.566 ( 3.867 9.590 2.751) 10.700 5.770 ( 5.810 10.068 0.461) 11.634 6.135 ( -2.193 -2.378 -0.643) 3.298 6.385 ( 1.342 0.821 -0.572) 1.674 6.945 ( 1.992 0.073 0.220) 2.006 7.582 ( -4.041 -12.716 0.911) 13.374 8.184 ( -4.209 -0.573 -2.958) 5.176 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 5.351 9.982 -0.343) 11.331 2.146 ( 1.051 5.771 1.280) 6.004 2.424 ( 7.973 12.519 0.400) 14.848 2.494 ( 3.435 5.158 -1.709) 6.428 3.021 ( 1.020 0.391 0.020) 1.092 3.713 ( 3.707 6.106 0.607) 7.169 5.970 ( 5.805 10.040 0.301) 11.602 6.096 ( -0.474 -0.295 -0.112) 0.570 6.423 ( 1.270 2.372 -0.426) 2.724 6.951 ( 0.050 -1.612 -0.796) 1.798 7.395 ( -5.548 -9.252 0.398) 10.796 8.118 ( -1.595 -1.693 -0.484) 2.376 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 4.199 9.058 0.245) 9.987 2.218 ( -0.296 6.707 1.857) 6.965 2.572 ( 2.197 2.661 -0.261) 3.461 2.643 ( 3.939 9.553 -0.104) 10.334 3.025 ( -0.858 1.435 -2.062) 2.655 3.814 ( 4.574 0.651 0.692) 4.672 6.114 ( 2.020 2.002 0.443) 2.879 6.147 ( 4.030 8.070 0.101) 9.021 6.459 ( 0.372 1.781 -0.063) 1.821 6.926 ( -1.995 1.009 -1.517) 2.702 7.235 ( -4.909 -5.132 0.648) 7.131 8.091 ( 1.300 -3.789 0.470) 4.033 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 6.698 -8.954) 11.181 1.791 ( 0.000 7.193 -9.230) 11.702 2.119 ( -0.000 8.264 6.459) 10.489 2.322 ( 0.000 9.329 -3.868) 10.099 2.960 ( -0.000 8.363 4.349) 9.426 3.504 ( -0.000 11.997 5.102) 13.036 5.653 ( -0.000 9.335 0.767) 9.367 6.188 ( 0.000 -2.825 -1.635) 3.264 6.347 ( 0.000 -0.984 -0.456) 1.084 6.899 ( -0.000 2.470 3.036) 3.914 7.640 ( 0.000 -14.608 0.574) 14.619 8.287 ( 0.000 -0.095 -5.425) 5.426 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 1.826 7.791 -5.316) 9.607 1.919 ( 9.300 4.058 -10.590) 14.667 2.234 ( 2.077 9.633 5.065) 11.080 2.413 ( 1.264 7.981 -0.288) 8.086 3.021 ( -0.690 3.122 2.975) 4.368 3.649 ( 0.710 12.582 3.592) 13.104 5.780 ( 4.085 9.276 0.514) 10.148 6.147 ( -1.674 -1.095 -1.688) 2.617 6.359 ( 1.850 0.366 -0.494) 1.950 6.924 ( 0.767 -1.292 3.911) 4.190 7.495 ( -1.103 -13.157 -0.534) 13.214 8.244 ( -3.464 0.618 -4.002) 5.330 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 5.709 8.825 -1.368) 10.599 2.081 ( 8.900 2.246 -6.634) 11.325 2.418 ( 6.736 10.757 1.984) 12.846 2.505 ( 1.451 5.717 1.093) 5.999 3.025 ( -0.766 -0.527 2.622) 2.782 3.767 ( -0.455 9.421 0.661) 9.455 5.960 ( 6.313 8.951 0.125) 10.954 6.114 ( -1.453 0.939 -1.137) 2.070 6.407 ( 2.589 1.693 -0.412) 3.121 6.923 ( 0.786 -3.126 3.122) 4.488 7.353 ( -1.711 -10.510 -0.951) 10.691 8.170 ( -4.789 0.584 -1.978) 5.214 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 0.000 5.573 -4.605) 7.229 1.848 ( 0.000 5.737 -9.391) 11.004 2.307 ( -0.000 7.649 3.095) 8.251 2.481 ( -0.000 7.167 1.377) 7.298 3.051 ( -0.000 -0.391 3.243) 3.267 3.780 ( -0.000 12.732 2.126) 12.909 5.827 ( -0.000 7.937 0.406) 7.948 6.156 ( 0.000 0.926 -2.138) 2.330 6.345 ( -0.000 1.001 -0.283) 1.040 6.910 ( -0.000 -3.587 5.481) 6.550 7.378 ( 0.000 -11.588 -1.933) 11.748 8.273 ( 0.000 1.210 -3.421) 3.629 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 4.927 7.381 -0.541) 8.891 1.936 ( 6.759 3.727 -6.982) 10.408 2.416 ( 4.100 7.027 1.366) 8.249 2.550 ( 0.369 5.291 1.899) 5.633 3.034 ( -0.934 -3.154 3.256) 4.628 3.885 ( -1.403 10.073 -0.458) 10.181 5.940 ( 4.744 6.758 0.057) 8.257 6.155 ( -1.524 3.027 -1.631) 3.760 6.379 ( 2.266 1.921 -0.231) 2.980 6.883 ( 0.435 -5.630 5.050) 7.575 7.269 ( -0.403 -8.733 -2.334) 9.048 8.248 ( -3.413 1.421 -2.101) 4.252 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 4.750 -0.298) 4.760 1.938 ( -0.000 7.326 -1.457) 7.470 2.438 ( -0.000 4.710 0.196) 4.714 2.598 ( -0.000 3.800 1.938) 4.266 3.010 ( -0.000 -5.123 2.973) 5.923 3.983 ( -0.000 7.899 -2.467) 8.275 5.951 ( -0.000 4.626 0.017) 4.626 6.206 ( -0.000 5.345 -1.322) 5.506 6.378 ( -0.000 2.258 -0.082) 2.259 6.827 ( -0.000 -8.006 4.362) 9.117 7.196 ( 0.000 -5.436 -2.442) 5.959 8.286 ( 0.000 1.458 -1.433) 2.044 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( -0.000 0.000 16.665) 16.665 0.961 ( -0.000 0.000 16.665) 16.665 1.721 ( -0.000 0.000 32.323) 32.323 1.962 ( 0.000 -0.000 -7.056) 7.056 1.962 ( 0.000 -0.000 -7.056) 7.056 3.612 ( 0.000 -0.000 -18.895) 18.895 5.242 ( 0.000 0.000 -0.062) 0.062 5.242 ( 0.000 -0.000 -0.062) 0.062 6.482 ( -0.000 0.000 0.145) 0.145 6.482 ( -0.000 0.000 0.145) 0.145 8.364 ( -0.000 0.000 3.846) 3.846 8.591 ( 0.000 -0.000 -2.225) 2.225 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 1.858 1.073 16.552) 16.691 1.207 ( 10.769 6.217 16.140) 20.374 1.755 ( -2.010 -1.161 5.219) 5.712 1.993 ( 2.772 1.601 -6.922) 7.626 2.078 ( 11.778 6.800 10.341) 17.084 3.425 ( -6.983 -4.031 -13.012) 15.308 5.276 ( 2.746 1.585 -0.337) 3.189 5.733 ( 34.223 19.759 -10.245) 40.824 6.456 ( -2.516 -1.453 -0.150) 2.909 6.462 ( -1.552 -0.896 0.263) 1.811 8.336 ( -3.665 -2.116 4.237) 5.989 8.509 ( -6.232 -3.598 -2.660) 7.672 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 7.068 4.081 13.779) 16.014 1.423 ( 1.762 1.017 21.893) 21.988 1.810 ( 10.229 5.906 -13.020) 17.580 2.045 ( 3.619 2.089 -6.485) 7.715 2.435 ( 15.766 9.102 10.913) 21.225 3.317 ( 0.235 0.135 -8.797) 8.802 5.362 ( 5.056 2.919 -0.569) 5.866 6.352 ( 2.461 1.421 -2.508) 3.790 6.419 ( -2.256 -1.302 0.363) 2.630 6.429 ( 19.732 11.392 -8.532) 24.329 8.212 ( -9.374 -5.412 5.218) 12.017 8.341 ( -6.518 -3.763 -3.730) 8.399 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.258 5.345 10.181) 14.762 1.489 ( 1.730 0.999 13.989) 14.131 2.072 ( 13.591 7.847 -7.188) 17.262 2.118 ( 4.508 2.603 -5.638) 7.673 2.786 ( 12.786 7.382 3.787) 15.241 3.377 ( 6.658 3.844 -4.347) 8.832 5.497 ( 7.037 4.063 -0.621) 8.150 6.255 ( -4.973 -2.871 0.192) 5.745 6.371 ( -1.972 -1.139 0.388) 2.310 6.840 ( 13.766 7.948 -8.152) 17.865 7.952 ( -13.928 -8.041 1.935) 16.199 8.231 ( -2.956 -1.707 0.403) 3.438 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 8.606 4.969 6.565) 11.910 1.610 ( 5.709 3.296 9.681) 11.712 2.214 ( 5.393 3.113 -4.155) 7.486 2.324 ( 10.058 5.807 -3.439) 12.112 3.006 ( 6.494 3.749 -0.596) 7.522 3.565 ( 10.201 5.890 -1.701) 11.901 5.664 ( 7.871 4.544 -0.470) 9.101 6.163 ( -2.995 -1.729 0.909) 3.576 6.340 ( -0.755 -0.436 0.316) 0.927 6.997 ( 3.048 1.760 -7.584) 8.361 7.637 ( -14.121 -8.153 1.261) 16.354 8.209 ( 0.364 0.210 2.872) 2.903 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 6.347 3.664 3.088) 7.953 1.779 ( 6.844 3.952 6.128) 10.000 2.329 ( 5.598 3.232 -2.093) 6.794 2.498 ( 6.373 3.680 -2.433) 7.751 3.074 ( -0.009 -0.005 -1.886) 1.886 3.790 ( 9.751 5.629 -0.147) 11.260 5.830 ( 6.740 3.891 -0.217) 7.785 6.140 ( 0.761 0.439 1.431) 1.679 6.343 ( 0.941 0.543 0.182) 1.102 6.965 ( -3.365 -1.943 -7.061) 8.059 7.359 ( -10.626 -6.135 2.506) 12.523 8.245 ( 1.701 0.982 2.749) 3.379 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 9.431 16.520) 19.022 1.189 ( -0.000 9.354 8.803) 12.845 1.863 ( -0.000 2.452 5.394) 5.925 1.894 ( 0.000 -0.683 -5.066) 5.111 2.098 ( -0.000 10.659 9.534) 14.301 3.386 ( 0.000 -7.470 -12.789) 14.811 5.262 ( -0.000 2.502 0.300) 2.520 5.710 ( -0.000 37.558 -8.321) 38.469 6.450 ( 0.000 -3.073 0.080) 3.074 6.470 ( 0.000 -1.452 -0.061) 1.454 8.344 ( -0.000 -4.856 4.097) 6.353 8.510 ( 0.000 -5.842 -3.040) 6.586 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.486 10.656 11.576) 15.804 1.449 ( 9.505 8.991 13.555) 18.839 1.767 ( -4.571 3.978 -6.533) 8.910 1.995 ( 4.464 3.883 -7.997) 9.948 2.337 ( 10.352 11.324 12.482) 19.779 3.289 ( -0.610 -1.713 -8.775) 8.961 5.324 ( 3.233 3.994 0.004) 5.139 6.201 ( 16.999 28.510 -8.178) 34.186 6.396 ( -2.042 -4.002 -0.403) 4.511 6.440 ( -1.351 -1.598 0.042) 2.093 8.263 ( -3.627 -8.903 5.066) 10.867 8.394 ( -5.236 -4.757 -4.484) 8.376 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 3.631 9.474 8.073) 12.966 1.606 ( -3.598 7.511 15.190) 17.324 1.888 ( 12.649 7.586 -7.000) 16.326 2.085 ( 3.839 6.536 -8.335) 11.266 2.664 ( 12.014 9.378 5.206) 16.106 3.306 ( 4.157 3.381 -4.516) 7.008 5.442 ( 5.149 5.866 -0.333) 7.812 6.294 ( -3.847 -4.482 0.135) 5.908 6.396 ( -1.785 -1.106 0.119) 2.103 6.679 ( 14.520 14.859 -6.186) 21.677 8.066 ( -9.333 -11.178 2.591) 14.791 8.264 ( -4.015 -2.861 -1.615) 5.187 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 6.045 7.576 5.215) 11.006 1.695 ( -1.465 11.763 12.434) 17.179 2.121 ( 8.906 3.800 -4.552) 10.699 2.232 ( 7.442 8.788 -4.290) 12.289 2.916 ( 8.553 5.170 -0.574) 10.011 3.456 ( 8.592 6.207 -2.024) 10.791 5.603 ( 6.344 7.393 -0.405) 9.750 6.192 ( -3.222 -3.709 0.671) 4.958 6.363 ( -1.522 0.197 0.237) 1.553 6.927 ( 6.102 4.802 -5.641) 9.598 7.779 ( -12.455 -9.990 0.562) 15.976 8.203 ( -0.319 -2.273 2.121) 3.125 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 6.126 7.395 3.687) 10.287 1.828 ( -0.453 10.905 9.895) 14.732 2.273 ( 6.057 5.946 -3.761) 9.284 2.421 ( 6.901 5.472 -2.000) 9.031 3.043 ( 3.380 0.884 -1.976) 4.014 3.672 ( 10.131 5.961 -1.622) 11.866 5.783 ( 5.954 7.994 -0.267) 9.971 6.134 ( -0.450 -1.870 1.342) 2.345 6.355 ( -0.587 1.808 0.251) 1.917 6.967 ( -0.792 -0.484 -5.916) 5.988 7.487 ( -11.686 -7.789 1.230) 14.098 8.213 ( 2.408 -1.938 3.115) 4.389 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -0.000 9.900 -2.687) 10.258 1.426 ( -0.000 11.615 14.138) 18.297 1.895 ( -0.000 2.286 1.596) 2.788 1.933 ( 0.000 8.769 -14.496) 16.942 2.413 ( -0.000 13.911 13.441) 19.344 3.260 ( 0.000 0.336 -5.991) 6.000 5.343 ( -0.000 5.592 0.698) 5.635 6.337 ( -0.000 28.708 -4.644) 29.082 6.370 ( 0.000 -4.377 -0.789) 4.448 6.429 ( 0.000 -2.448 -0.313) 2.468 8.203 ( -0.000 -12.465 4.528) 13.262 8.380 ( 0.000 -4.159 -5.313) 6.747 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.294 9.441 -0.158) 9.531 1.681 ( 9.827 8.337 4.577) 13.676 1.872 ( -3.779 8.749 0.593) 9.549 2.054 ( 4.773 8.407 -10.061) 13.953 2.637 ( 5.683 12.850 8.221) 16.279 3.284 ( 1.858 4.643 -2.112) 5.429 5.434 ( 3.206 7.153 0.496) 7.855 6.298 ( -2.277 -5.244 -0.239) 5.722 6.400 ( -0.449 -1.914 -0.331) 1.993 6.642 ( 7.405 18.542 -2.259) 20.094 8.055 ( -3.410 -14.248 3.247) 15.006 8.296 ( -3.612 -2.830 -4.581) 6.484 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 3.465 8.920 0.052) 9.570 1.894 ( -0.803 13.655 9.258) 16.517 1.977 ( 9.801 4.479 -5.058) 11.904 2.203 ( 5.310 9.475 -4.685) 11.829 2.853 ( 5.691 8.101 1.358) 9.993 3.403 ( 5.182 7.710 0.039) 9.290 5.585 ( 5.274 8.831 0.107) 10.287 6.204 ( -2.868 -4.541 -0.022) 5.370 6.380 ( -0.373 -0.432 -0.129) 0.585 6.876 ( 5.361 7.512 -1.443) 9.341 7.839 ( -7.145 -13.074 1.060) 14.936 8.204 ( -2.663 -2.355 -1.316) 3.791 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 5.624 9.420 1.617) 11.089 2.005 ( -2.511 10.998 8.705) 14.249 2.198 ( 9.758 8.526 -5.185) 13.957 2.371 ( 5.577 7.102 -1.039) 9.089 2.987 ( 3.912 2.923 -1.110) 5.008 3.582 ( 7.133 7.351 -0.946) 10.287 5.773 ( 5.899 9.959 -0.100) 11.575 6.129 ( -1.437 -2.866 0.560) 3.255 6.382 ( -0.100 1.607 0.120) 1.614 6.957 ( 0.598 0.951 -2.365) 2.618 7.586 ( -9.344 -10.105 0.153) 13.764 8.164 ( 0.699 -2.858 1.537) 3.319 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 8.812 -9.999) 13.328 1.641 ( -0.000 5.935 -0.892) 6.002 2.003 ( -0.000 5.833 6.814) 8.970 2.078 ( 0.000 13.808 -9.566) 16.797 2.753 ( -0.000 13.672 7.650) 15.667 3.325 ( -0.000 7.609 1.140) 7.694 5.482 ( -0.000 8.202 0.878) 8.249 6.265 ( 0.000 -5.178 -0.802) 5.240 6.379 ( 0.000 -2.288 -0.477) 2.337 6.751 ( -0.000 14.650 1.490) 14.726 7.943 ( 0.000 -15.744 2.355) 15.919 8.289 ( 0.000 -2.038 -5.464) 5.831 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.877 8.565 -5.963) 10.473 1.793 ( 11.023 5.424 -9.580) 15.578 2.073 ( -1.204 8.959 6.578) 11.179 2.220 ( 3.096 11.451 -2.138) 12.053 2.898 ( 0.924 9.892 3.397) 10.499 3.435 ( 1.873 10.260 2.683) 10.769 5.599 ( 3.470 9.229 0.602) 9.879 6.199 ( -1.814 -4.344 -0.927) 4.797 6.366 ( 0.796 -1.206 -0.410) 1.502 6.888 ( 2.109 6.949 3.072) 7.885 7.777 ( -2.208 -15.417 1.016) 15.608 8.232 ( -2.915 -0.953 -4.227) 5.223 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 8.140 -8.061) 11.456 1.702 ( 0.000 5.716 -10.707) 12.137 2.172 ( -0.000 7.270 5.379) 9.044 2.307 ( -0.000 11.386 0.307) 11.390 2.992 ( -0.000 7.439 2.697) 7.912 3.542 ( -0.000 12.279 3.518) 12.773 5.659 ( -0.000 9.225 0.679) 9.250 6.174 ( 0.000 -3.190 -1.475) 3.514 6.344 ( 0.000 -0.938 -0.425) 1.030 6.938 ( -0.000 3.176 5.693) 6.519 7.643 ( 0.000 -15.598 -0.164) 15.599 8.242 ( 0.000 0.353 -4.569) 4.582 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.000 0.000 11.845) 11.845 1.088 ( -0.000 0.000 11.845) 11.845 1.903 ( 0.000 -0.000 -6.000) 6.000 1.903 ( 0.000 -0.000 -6.000) 6.000 1.974 ( -0.000 0.000 24.384) 24.384 3.453 ( 0.000 -0.000 -16.393) 16.393 5.241 ( 0.000 0.000 -0.041) 0.041 5.241 ( 0.000 -0.000 -0.041) 0.041 6.483 ( -0.000 0.000 0.098) 0.098 6.483 ( -0.000 0.000 0.098) 0.098 8.395 ( -0.000 0.000 3.148) 3.148 8.572 ( 0.000 -0.000 -2.061) 2.061 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 2.014 1.163 13.214) 13.417 1.314 ( 13.178 7.609 7.274) 16.866 1.765 ( -6.964 -4.021 -0.072) 8.042 1.933 ( 2.714 1.567 -6.599) 7.305 2.191 ( 11.246 6.493 12.517) 18.036 3.317 ( -4.999 -2.886 -10.635) 12.101 5.273 ( 2.628 1.517 -0.442) 3.066 5.668 ( 31.313 18.079 -4.821) 36.477 6.454 ( -2.637 -1.523 -0.187) 3.051 6.465 ( -1.496 -0.863 0.276) 1.749 8.371 ( -3.012 -1.739 3.458) 4.904 8.485 ( -6.836 -3.947 -2.525) 8.287 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 6.264 3.617 12.620) 14.546 1.606 ( -2.285 -1.319 17.691) 17.887 1.693 ( 13.983 8.073 -11.384) 19.756 1.985 ( 3.795 2.191 -6.865) 8.144 2.505 ( 13.790 7.962 4.290) 16.491 3.250 ( 1.510 0.872 -5.655) 5.917 5.356 ( 5.007 2.891 -0.743) 5.829 6.324 ( 18.640 10.762 -3.103) 21.746 6.384 ( 3.716 2.145 -2.452) 4.942 6.422 ( -2.227 -1.286 0.419) 2.606 8.249 ( -11.231 -6.484 2.291) 13.170 8.315 ( -4.418 -2.551 -1.029) 5.204 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.989 4.613 10.804) 14.207 1.596 ( 1.099 0.634 9.299) 9.385 2.035 ( 14.449 8.342 -0.201) 16.685 2.063 ( 5.004 2.889 -6.626) 8.792 2.795 ( 11.416 6.591 -1.852) 13.311 3.344 ( 7.531 4.348 -3.047) 9.214 5.490 ( 7.084 4.090 -0.822) 8.221 6.259 ( -4.753 -2.744 0.639) 5.525 6.375 ( -1.988 -1.148 0.476) 2.344 6.781 ( 13.596 7.849 -5.154) 16.523 7.957 ( -14.109 -8.146 -0.655) 16.305 8.248 ( -2.120 -1.224 3.486) 4.259 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 6.513 0.913) 6.577 1.241 ( -0.000 10.782 12.972) 16.868 1.842 ( 0.000 -1.808 -6.484) 6.731 1.867 ( 0.000 0.719 -0.677) 0.988 2.210 ( -0.000 10.267 11.563) 15.463 3.288 ( 0.000 -5.249 -8.361) 9.872 5.265 ( -0.000 2.668 0.421) 2.701 5.658 ( -0.000 35.193 -3.605) 35.378 6.451 ( 0.000 -3.149 0.153) 3.153 6.469 ( 0.000 -1.541 -0.164) 1.550 8.376 ( -0.000 -3.954 3.060) 5.000 8.484 ( 0.000 -7.067 -2.637) 7.543 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.543 7.399 5.507) 9.240 1.529 ( 12.596 11.483 4.154) 17.543 1.730 ( -6.330 1.006 -1.396) 6.559 1.933 ( 3.587 2.890 -4.813) 6.662 2.420 ( 7.985 11.372 5.329) 14.882 3.230 ( -0.051 -0.246 -3.863) 3.871 5.324 ( 2.795 4.274 0.001) 5.107 6.153 ( 16.971 29.121 -2.713) 33.814 6.394 ( -2.382 -4.304 -0.110) 4.921 6.441 ( -1.146 -1.720 0.013) 2.066 8.307 ( -3.741 -9.410 4.706) 11.166 8.354 ( -4.760 -4.751 -4.515) 8.100 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.092 5.744 5.653) 9.533 1.694 ( -3.070 8.658 3.182) 9.722 1.862 ( 13.750 6.625 1.824) 15.372 2.025 ( 4.384 6.631 -3.821) 8.820 2.681 ( 9.600 9.463 -1.547) 13.569 3.279 ( 4.320 4.461 -1.326) 6.350 5.439 ( 4.882 6.133 -0.454) 7.852 6.296 ( -3.685 -4.537 0.305) 5.853 6.398 ( -1.576 -1.245 0.234) 2.022 6.642 ( 13.742 15.610 -2.118) 20.904 8.074 ( -10.497 -10.848 -0.831) 15.118 8.266 ( -1.896 -3.585 2.020) 4.531 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 7.726 -9.213) 12.023 1.553 ( -0.000 8.172 14.453) 16.603 1.789 ( 0.000 7.614 -17.953) 19.501 1.929 ( -0.000 3.877 5.619) 6.827 2.501 ( -0.000 14.231 5.591) 15.290 3.228 ( 0.000 1.969 -0.757) 2.109 5.350 ( -0.000 5.694 0.787) 5.748 6.312 ( -0.000 28.573 -0.726) 28.582 6.372 ( 0.000 -3.249 0.765) 3.338 6.426 ( 0.000 -2.516 -0.400) 2.548 8.239 ( 0.000 -13.324 3.516) 13.780 8.335 ( 0.000 -4.156 -4.553) 6.165 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -0.000 0.000 4.469) 4.469 1.162 ( -0.000 0.000 4.469) 4.469 1.863 ( 0.000 -0.000 -2.507) 2.507 1.863 ( 0.000 -0.000 -2.507) 2.507 2.130 ( -0.000 0.000 9.759) 9.759 3.344 ( 0.000 -0.000 -7.107) 7.107 5.241 ( 0.000 -0.000 -0.014) 0.014 5.241 ( 0.000 -0.000 -0.014) 0.014 6.483 ( -0.000 0.000 0.035) 0.035 6.483 ( -0.000 0.000 0.035) 0.035 8.416 ( -0.000 0.000 1.327) 1.327 8.557 ( 0.000 -0.000 -0.945) 0.945 ======================= 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 1.10e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 3.314 1.913 7.389) 8.321 1.324 ( 12.096 6.984 -4.961) 14.822 1.785 ( -5.222 -3.015 5.018) 7.845 1.884 ( 2.001 1.155 -4.124) 4.727 2.259 ( 9.063 5.232 1.407) 10.559 3.257 ( -3.930 -2.269 -1.870) 4.908 5.269 ( 2.473 1.428 -0.472) 2.895 5.645 ( 30.053 17.351 -0.490) 34.706 6.452 ( -2.714 -1.567 -0.190) 3.140 6.467 ( -1.419 -0.819 0.241) 1.656 8.390 ( -2.476 -1.430 0.417) 2.890 8.471 ( -7.264 -4.194 -0.164) 8.390 =================== 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 10.0 607.045 607.045 1412.175 0.000 -0.000 -0.000 3/40500 20.0 157.721 157.721 160.044 0.000 -0.000 -0.000 3/40500 30.0 78.400 78.400 61.933 0.000 -0.000 -0.000 3/40500 40.0 53.265 53.265 37.152 0.000 -0.000 -0.000 3/40500 50.0 40.039 40.039 26.341 0.000 -0.000 -0.000 3/40500 60.0 31.491 31.491 20.197 0.000 -0.000 -0.000 3/40500 70.0 25.604 25.604 16.246 0.000 -0.000 -0.000 3/40500 80.0 21.414 21.414 13.529 0.000 -0.000 -0.000 3/40500 90.0 18.340 18.340 11.568 0.000 -0.000 -0.000 3/40500 100.0 16.018 16.018 10.098 0.000 -0.000 -0.000 3/40500 110.0 14.215 14.215 8.961 0.000 -0.000 -0.000 3/40500 120.0 12.780 12.780 8.058 0.000 -0.000 -0.000 3/40500 130.0 11.613 11.613 7.324 0.000 -0.000 -0.000 3/40500 140.0 10.647 10.647 6.716 0.000 -0.000 -0.000 3/40500 150.0 9.834 9.834 6.204 0.000 -0.000 -0.000 3/40500 160.0 9.140 9.140 5.767 0.000 -0.000 -0.000 3/40500 170.0 8.541 8.541 5.389 0.000 -0.000 -0.000 3/40500 180.0 8.018 8.018 5.060 0.000 -0.000 -0.000 3/40500 190.0 7.557 7.557 4.769 0.000 -0.000 -0.000 3/40500 200.0 7.149 7.149 4.511 0.000 -0.000 -0.000 3/40500 210.0 6.783 6.783 4.281 0.000 -0.000 -0.000 3/40500 220.0 6.455 6.455 4.073 0.000 -0.000 -0.000 3/40500 230.0 6.157 6.157 3.885 0.000 -0.000 -0.000 3/40500 240.0 5.887 5.887 3.715 0.000 -0.000 -0.000 3/40500 250.0 5.640 5.640 3.558 0.000 -0.000 -0.000 3/40500 260.0 5.413 5.413 3.415 0.000 -0.000 -0.000 3/40500 270.0 5.205 5.205 3.284 0.000 -0.000 -0.000 3/40500 280.0 5.012 5.012 3.162 0.000 -0.000 -0.000 3/40500 290.0 4.833 4.833 3.049 0.000 -0.000 -0.000 3/40500 300.0 4.667 4.667 2.944 0.000 -0.000 -0.000 3/40500 310.0 4.513 4.513 2.846 0.000 -0.000 -0.000 3/40500 320.0 4.368 4.368 2.754 0.000 -0.000 -0.000 3/40500 330.0 4.232 4.232 2.669 0.000 -0.000 -0.000 3/40500 340.0 4.105 4.105 2.588 0.000 -0.000 -0.000 3/40500 350.0 3.985 3.985 2.513 0.000 -0.000 -0.000 3/40500 360.0 3.873 3.873 2.441 0.000 -0.000 -0.000 3/40500 370.0 3.766 3.766 2.374 0.000 -0.000 -0.000 3/40500 380.0 3.665 3.665 2.311 0.000 -0.000 -0.000 3/40500 390.0 3.570 3.570 2.250 0.000 -0.000 -0.000 3/40500 400.0 3.480 3.480 2.193 0.000 -0.000 -0.000 3/40500 410.0 3.394 3.394 2.139 0.000 -0.000 -0.000 3/40500 420.0 3.312 3.312 2.087 0.000 -0.000 -0.000 3/40500 430.0 3.234 3.234 2.038 0.000 -0.000 -0.000 3/40500 440.0 3.160 3.160 1.991 0.000 -0.000 -0.000 3/40500 450.0 3.089 3.089 1.946 0.000 -0.000 -0.000 3/40500 460.0 3.021 3.021 1.904 0.000 -0.000 -0.000 3/40500 470.0 2.957 2.957 1.863 0.000 -0.000 -0.000 3/40500 480.0 2.895 2.895 1.823 0.000 -0.000 -0.000 3/40500 490.0 2.835 2.835 1.786 0.000 -0.000 -0.000 3/40500 500.0 2.778 2.778 1.750 0.000 -0.000 -0.000 3/40500 510.0 2.723 2.723 1.715 0.000 -0.000 -0.000 3/40500 520.0 2.671 2.671 1.682 0.000 -0.000 -0.000 3/40500 530.0 2.620 2.620 1.650 0.000 -0.000 -0.000 3/40500 540.0 2.571 2.571 1.619 0.000 -0.000 -0.000 3/40500 550.0 2.524 2.524 1.590 0.000 -0.000 -0.000 3/40500 560.0 2.479 2.479 1.561 0.000 -0.000 -0.000 3/40500 570.0 2.435 2.435 1.534 0.000 -0.000 -0.000 3/40500 580.0 2.393 2.393 1.507 0.000 -0.000 -0.000 3/40500 590.0 2.353 2.353 1.481 0.000 -0.000 -0.000 3/40500 600.0 2.313 2.313 1.457 0.000 -0.000 -0.000 3/40500 610.0 2.275 2.275 1.433 0.000 -0.000 -0.000 3/40500 620.0 2.239 2.239 1.409 0.000 -0.000 -0.000 3/40500 630.0 2.203 2.203 1.387 0.000 -0.000 -0.000 3/40500 640.0 2.169 2.169 1.365 0.000 -0.000 -0.000 3/40500 650.0 2.135 2.135 1.344 0.000 -0.000 -0.000 3/40500 660.0 2.103 2.103 1.324 0.000 -0.000 -0.000 3/40500 670.0 2.071 2.071 1.304 0.000 -0.000 -0.000 3/40500 680.0 2.041 2.041 1.285 0.000 -0.000 -0.000 3/40500 690.0 2.011 2.011 1.266 0.000 -0.000 -0.000 3/40500 700.0 1.983 1.983 1.248 0.000 -0.000 -0.000 3/40500 710.0 1.955 1.955 1.230 0.000 -0.000 -0.000 3/40500 720.0 1.927 1.927 1.213 0.000 -0.000 -0.000 3/40500 730.0 1.901 1.901 1.196 0.000 -0.000 -0.000 3/40500 740.0 1.875 1.875 1.180 0.000 -0.000 -0.000 3/40500 750.0 1.850 1.850 1.164 0.000 -0.000 -0.000 3/40500 760.0 1.826 1.826 1.149 0.000 -0.000 -0.000 3/40500 770.0 1.802 1.802 1.134 0.000 -0.000 -0.000 3/40500 780.0 1.779 1.779 1.120 0.000 -0.000 -0.000 3/40500 790.0 1.757 1.757 1.105 0.000 -0.000 -0.000 3/40500 800.0 1.735 1.735 1.092 0.000 -0.000 -0.000 3/40500 810.0 1.713 1.713 1.078 0.000 -0.000 -0.000 3/40500 820.0 1.692 1.692 1.065 0.000 -0.000 -0.000 3/40500 830.0 1.672 1.672 1.052 0.000 -0.000 -0.000 3/40500 840.0 1.652 1.652 1.039 0.000 -0.000 -0.000 3/40500 850.0 1.633 1.633 1.027 0.000 -0.000 -0.000 3/40500 860.0 1.614 1.614 1.015 0.000 -0.000 -0.000 3/40500 870.0 1.595 1.595 1.004 0.000 -0.000 -0.000 3/40500 880.0 1.577 1.577 0.992 0.000 -0.000 -0.000 3/40500 890.0 1.560 1.560 0.981 0.000 -0.000 -0.000 3/40500 900.0 1.542 1.542 0.970 0.000 -0.000 -0.000 3/40500 910.0 1.525 1.525 0.959 0.000 -0.000 -0.000 3/40500 920.0 1.509 1.509 0.949 0.000 -0.000 -0.000 3/40500 930.0 1.493 1.493 0.939 0.000 -0.000 -0.000 3/40500 940.0 1.477 1.477 0.929 0.000 -0.000 -0.000 3/40500 950.0 1.461 1.461 0.919 0.000 -0.000 -0.000 3/40500 960.0 1.446 1.446 0.909 0.000 -0.000 -0.000 3/40500 970.0 1.431 1.431 0.900 0.000 -0.000 -0.000 3/40500 980.0 1.417 1.417 0.891 0.000 -0.000 -0.000 3/40500 990.0 1.402 1.402 0.882 0.000 -0.000 -0.000 3/40500 1000.0 1.388 1.388 0.873 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|