----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:45:04]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 216 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.558145540865030 0.000000000000000 0.000000000000000 b -1.779072770432515 3.081444428751436 0.000000000000000 c 0.000000000000000 0.000000000000000 5.391203750000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.60553214061617 6.941 2 Li 0.33333333333333 0.66666666666667 0.39446785938383 6.941 *3 N 0.66666666666667 0.33333333333333 0.22538430180627 14.007 4 N 0.33333333333333 0.66666666666667 0.77461569819373 14.007 *5 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.558145540865030 0.000000000000000 0.000000000000000 b -1.779072770432515 3.081444428751436 0.000000000000000 c 0.000000000000000 0.000000000000000 5.391203750000000 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.60553214061617 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.39446785938383 6.941 > 2 *3 N 0.66666666666667 0.33333333333333 0.22538430180627 14.007 > 3 4 N 0.33333333333333 0.66666666666667 0.77461569819373 14.007 > 4 *5 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 5 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.674436622595090 0.000000000000000 0.000000000000000 b -5.337218311297545 9.244333286254308 0.000000000000000 c 0.000000000000000 0.000000000000000 10.782407500000000 Atomic positions (fractional): *1 Li 0.22222222222222 0.11111111111111 0.30276607030809 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30276607030809 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30276607030809 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30276607030809 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30276607030809 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30276607030809 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30276607030809 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30276607030809 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30276607030809 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80276607030809 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80276607030809 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80276607030809 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80276607030809 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80276607030809 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80276607030809 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80276607030809 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80276607030809 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80276607030809 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19723392969191 6.941 > 2 20 Li 0.44444444444444 0.22222222222222 0.19723392969191 6.941 > 2 21 Li 0.77777777777778 0.22222222222222 0.19723392969191 6.941 > 2 22 Li 0.11111111111111 0.55555555555556 0.19723392969191 6.941 > 2 23 Li 0.44444444444444 0.55555555555556 0.19723392969191 6.941 > 2 24 Li 0.77777777777778 0.55555555555556 0.19723392969191 6.941 > 2 25 Li 0.11111111111111 0.88888888888889 0.19723392969191 6.941 > 2 26 Li 0.44444444444444 0.88888888888889 0.19723392969191 6.941 > 2 27 Li 0.77777777777778 0.88888888888889 0.19723392969191 6.941 > 2 28 Li 0.11111111111111 0.22222222222222 0.69723392969191 6.941 > 2 29 Li 0.44444444444444 0.22222222222222 0.69723392969191 6.941 > 2 30 Li 0.77777777777778 0.22222222222222 0.69723392969191 6.941 > 2 31 Li 0.11111111111111 0.55555555555556 0.69723392969191 6.941 > 2 32 Li 0.44444444444444 0.55555555555556 0.69723392969191 6.941 > 2 33 Li 0.77777777777778 0.55555555555556 0.69723392969191 6.941 > 2 34 Li 0.11111111111111 0.88888888888889 0.69723392969191 6.941 > 2 35 Li 0.44444444444444 0.88888888888889 0.69723392969191 6.941 > 2 36 Li 0.77777777777778 0.88888888888889 0.69723392969191 6.941 > 2 *37 N 0.22222222222222 0.11111111111111 0.11269215090313 14.007 > 3 38 N 0.55555555555556 0.11111111111111 0.11269215090313 14.007 > 3 39 N 0.88888888888889 0.11111111111111 0.11269215090313 14.007 > 3 40 N 0.22222222222222 0.44444444444444 0.11269215090313 14.007 > 3 41 N 0.55555555555556 0.44444444444444 0.11269215090313 14.007 > 3 42 N 0.88888888888889 0.44444444444444 0.11269215090313 14.007 > 3 43 N 0.22222222222222 0.77777777777778 0.11269215090313 14.007 > 3 44 N 0.55555555555556 0.77777777777778 0.11269215090313 14.007 > 3 45 N 0.88888888888889 0.77777777777778 0.11269215090313 14.007 > 3 46 N 0.22222222222222 0.11111111111111 0.61269215090313 14.007 > 3 47 N 0.55555555555556 0.11111111111111 0.61269215090313 14.007 > 3 48 N 0.88888888888889 0.11111111111111 0.61269215090313 14.007 > 3 49 N 0.22222222222222 0.44444444444444 0.61269215090313 14.007 > 3 50 N 0.55555555555556 0.44444444444444 0.61269215090313 14.007 > 3 51 N 0.88888888888889 0.44444444444444 0.61269215090313 14.007 > 3 52 N 0.22222222222222 0.77777777777778 0.61269215090313 14.007 > 3 53 N 0.55555555555556 0.77777777777778 0.61269215090313 14.007 > 3 54 N 0.88888888888889 0.77777777777778 0.61269215090313 14.007 > 3 55 N 0.11111111111111 0.22222222222222 0.38730784909687 14.007 > 4 56 N 0.44444444444444 0.22222222222222 0.38730784909687 14.007 > 4 57 N 0.77777777777778 0.22222222222222 0.38730784909687 14.007 > 4 58 N 0.11111111111111 0.55555555555556 0.38730784909687 14.007 > 4 59 N 0.44444444444444 0.55555555555556 0.38730784909687 14.007 > 4 60 N 0.77777777777778 0.55555555555556 0.38730784909687 14.007 > 4 61 N 0.11111111111111 0.88888888888889 0.38730784909687 14.007 > 4 62 N 0.44444444444444 0.88888888888889 0.38730784909687 14.007 > 4 63 N 0.77777777777778 0.88888888888889 0.38730784909687 14.007 > 4 64 N 0.11111111111111 0.22222222222222 0.88730784909687 14.007 > 4 65 N 0.44444444444444 0.22222222222222 0.88730784909687 14.007 > 4 66 N 0.77777777777778 0.22222222222222 0.88730784909687 14.007 > 4 67 N 0.11111111111111 0.55555555555556 0.88730784909687 14.007 > 4 68 N 0.44444444444444 0.55555555555556 0.88730784909687 14.007 > 4 69 N 0.77777777777778 0.55555555555556 0.88730784909687 14.007 > 4 70 N 0.11111111111111 0.88888888888889 0.88730784909687 14.007 > 4 71 N 0.44444444444444 0.88888888888889 0.88730784909687 14.007 > 4 72 N 0.77777777777778 0.88888888888889 0.88730784909687 14.007 > 4 *73 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 5 74 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 5 75 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 5 76 Ce 0.00000000000000 0.33333333333333 0.00000000000000 140.116 > 5 77 Ce 0.33333333333333 0.33333333333333 0.00000000000000 140.116 > 5 78 Ce 0.66666666666667 0.33333333333333 0.00000000000000 140.116 > 5 79 Ce 0.00000000000000 0.66666666666667 0.00000000000000 140.116 > 5 80 Ce 0.33333333333333 0.66666666666667 0.00000000000000 140.116 > 5 81 Ce 0.66666666666667 0.66666666666667 0.00000000000000 140.116 > 5 82 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 5 83 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 5 84 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 5 85 Ce 0.00000000000000 0.33333333333333 0.50000000000000 140.116 > 5 86 Ce 0.33333333333333 0.33333333333333 0.50000000000000 140.116 > 5 87 Ce 0.66666666666667 0.33333333333333 0.50000000000000 140.116 > 5 88 Ce 0.00000000000000 0.66666666666667 0.50000000000000 140.116 > 5 89 Ce 0.33333333333333 0.66666666666667 0.50000000000000 140.116 > 5 90 Ce 0.66666666666667 0.66666666666667 0.50000000000000 140.116 > 5 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8761427 0.0000000 0.0000000 0.0000000 9.8761427 0.0000000 0.0000000 0.0000000 6.8291296 -------------------------- Born effective charges -------------------------- 1 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 2 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 3 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 4 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 5 Ce 5.9147357 0.0000000 0.0000000 0.0000000 5.9147357 0.0000000 0.0000000 0.0000000 2.7498609 ---------------------------------------------------------------------------- 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: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 196 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True ----- Solver_atoms: 1 -- 90 / 90 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.153 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.164 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 270/270 Permutation basis: 2400/2400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 224 Number of blocks in projector: 196 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (224, 218), data: False |-- (56, 53), data: True |-- (66, 66), data: True |-- (102, 99), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 22:45:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:07]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.558145540865030 0.000000000000000 0.000000000000000 b -1.779072770432515 3.081444428751436 0.000000000000000 c 0.000000000000000 0.000000000000000 5.391203750000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.60553214061617 6.941 2 Li 0.33333333333333 0.66666666666667 0.39446785938383 6.941 3 N 0.66666666666667 0.33333333333333 0.22538430180627 14.007 4 N 0.33333333333333 0.66666666666667 0.77461569819373 14.007 5 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674436622595090 0.000000000000000 0.000000000000000 b -5.337218311297545 9.244333286254308 0.000000000000000 c 0.000000000000000 0.000000000000000 10.782407500000000 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.30276607030809 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30276607030809 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30276607030809 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30276607030809 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30276607030809 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30276607030809 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30276607030809 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30276607030809 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30276607030809 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80276607030809 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80276607030809 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80276607030809 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80276607030809 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80276607030809 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80276607030809 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80276607030809 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80276607030809 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80276607030809 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19723392969191 6.941 > 19 20 Li 0.44444444444444 0.22222222222222 0.19723392969191 6.941 > 19 21 Li 0.77777777777778 0.22222222222222 0.19723392969191 6.941 > 19 22 Li 0.11111111111111 0.55555555555556 0.19723392969191 6.941 > 19 23 Li 0.44444444444444 0.55555555555556 0.19723392969191 6.941 > 19 24 Li 0.77777777777778 0.55555555555556 0.19723392969191 6.941 > 19 25 Li 0.11111111111111 0.88888888888889 0.19723392969191 6.941 > 19 26 Li 0.44444444444444 0.88888888888889 0.19723392969191 6.941 > 19 27 Li 0.77777777777778 0.88888888888889 0.19723392969191 6.941 > 19 28 Li 0.11111111111111 0.22222222222222 0.69723392969191 6.941 > 19 29 Li 0.44444444444444 0.22222222222222 0.69723392969191 6.941 > 19 30 Li 0.77777777777778 0.22222222222222 0.69723392969191 6.941 > 19 31 Li 0.11111111111111 0.55555555555556 0.69723392969191 6.941 > 19 32 Li 0.44444444444444 0.55555555555556 0.69723392969191 6.941 > 19 33 Li 0.77777777777778 0.55555555555556 0.69723392969191 6.941 > 19 34 Li 0.11111111111111 0.88888888888889 0.69723392969191 6.941 > 19 35 Li 0.44444444444444 0.88888888888889 0.69723392969191 6.941 > 19 36 Li 0.77777777777778 0.88888888888889 0.69723392969191 6.941 > 19 37 N 0.22222222222222 0.11111111111111 0.11269215090313 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.11269215090313 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.11269215090313 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.11269215090313 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.11269215090313 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.11269215090313 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.11269215090313 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.11269215090313 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.11269215090313 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.61269215090313 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.61269215090313 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.61269215090313 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.61269215090313 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.61269215090313 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.61269215090313 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.61269215090313 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.61269215090313 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.61269215090313 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.38730784909687 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.38730784909687 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.38730784909687 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.38730784909687 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.38730784909687 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.38730784909687 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.38730784909687 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.38730784909687 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.38730784909687 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.88730784909687 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.88730784909687 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.88730784909687 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.88730784909687 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.88730784909687 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.88730784909687 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.88730784909687 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.88730784909687 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.88730784909687 14.007 > 55 73 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 73 74 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 73 75 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 73 76 Ce 0.00000000000000 0.33333333333333 0.00000000000000 140.116 > 73 77 Ce 0.33333333333333 0.33333333333333 0.00000000000000 140.116 > 73 78 Ce 0.66666666666667 0.33333333333333 0.00000000000000 140.116 > 73 79 Ce 0.00000000000000 0.66666666666667 0.00000000000000 140.116 > 73 80 Ce 0.33333333333333 0.66666666666667 0.00000000000000 140.116 > 73 81 Ce 0.66666666666667 0.66666666666667 0.00000000000000 140.116 > 73 82 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 73 83 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 73 84 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 73 85 Ce 0.00000000000000 0.33333333333333 0.50000000000000 140.116 > 73 86 Ce 0.33333333333333 0.33333333333333 0.50000000000000 140.116 > 73 87 Ce 0.66666666666667 0.33333333333333 0.50000000000000 140.116 > 73 88 Ce 0.00000000000000 0.66666666666667 0.50000000000000 140.116 > 73 89 Ce 0.33333333333333 0.66666666666667 0.50000000000000 140.116 > 73 90 Ce 0.66666666666667 0.66666666666667 0.50000000000000 140.116 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8761427 0.0000000 0.0000000 0.0000000 9.8761427 0.0000000 0.0000000 0.0000000 6.8291296 -------------------------- Born effective charges -------------------------- 1 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 2 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 3 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 4 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 5 Ce 5.9147357 0.0000000 0.0000000 0.0000000 5.9147357 0.0000000 0.0000000 0.0000000 2.7498609 ---------------------------------------------------------------------------- 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[ 37, 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[ 73, 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 22:45:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:45:12]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.558145540865030 0.000000000000000 0.000000000000000 b -1.779072770432515 3.081444428751436 0.000000000000000 c 0.000000000000000 0.000000000000000 5.391203750000000 Atomic positions (fractional): 1 Li 0.66666666666667 0.33333333333333 0.60553214061617 6.941 2 Li 0.33333333333333 0.66666666666667 0.39446785938383 6.941 3 N 0.66666666666667 0.33333333333333 0.22538430180627 14.007 4 N 0.33333333333333 0.66666666666667 0.77461569819373 14.007 5 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.674436622595090 0.000000000000000 0.000000000000000 b -5.337218311297545 9.244333286254308 0.000000000000000 c 0.000000000000000 0.000000000000000 10.782407500000000 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.30276607030809 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.30276607030809 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.30276607030809 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.30276607030809 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.30276607030809 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.30276607030809 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.30276607030809 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.30276607030809 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.30276607030809 6.941 > 1 10 Li 0.22222222222222 0.11111111111111 0.80276607030809 6.941 > 1 11 Li 0.55555555555556 0.11111111111111 0.80276607030809 6.941 > 1 12 Li 0.88888888888889 0.11111111111111 0.80276607030809 6.941 > 1 13 Li 0.22222222222222 0.44444444444444 0.80276607030809 6.941 > 1 14 Li 0.55555555555556 0.44444444444444 0.80276607030809 6.941 > 1 15 Li 0.88888888888889 0.44444444444444 0.80276607030809 6.941 > 1 16 Li 0.22222222222222 0.77777777777778 0.80276607030809 6.941 > 1 17 Li 0.55555555555556 0.77777777777778 0.80276607030809 6.941 > 1 18 Li 0.88888888888889 0.77777777777778 0.80276607030809 6.941 > 1 19 Li 0.11111111111111 0.22222222222222 0.19723392969191 6.941 > 19 20 Li 0.44444444444444 0.22222222222222 0.19723392969191 6.941 > 19 21 Li 0.77777777777778 0.22222222222222 0.19723392969191 6.941 > 19 22 Li 0.11111111111111 0.55555555555556 0.19723392969191 6.941 > 19 23 Li 0.44444444444444 0.55555555555556 0.19723392969191 6.941 > 19 24 Li 0.77777777777778 0.55555555555556 0.19723392969191 6.941 > 19 25 Li 0.11111111111111 0.88888888888889 0.19723392969191 6.941 > 19 26 Li 0.44444444444444 0.88888888888889 0.19723392969191 6.941 > 19 27 Li 0.77777777777778 0.88888888888889 0.19723392969191 6.941 > 19 28 Li 0.11111111111111 0.22222222222222 0.69723392969191 6.941 > 19 29 Li 0.44444444444444 0.22222222222222 0.69723392969191 6.941 > 19 30 Li 0.77777777777778 0.22222222222222 0.69723392969191 6.941 > 19 31 Li 0.11111111111111 0.55555555555556 0.69723392969191 6.941 > 19 32 Li 0.44444444444444 0.55555555555556 0.69723392969191 6.941 > 19 33 Li 0.77777777777778 0.55555555555556 0.69723392969191 6.941 > 19 34 Li 0.11111111111111 0.88888888888889 0.69723392969191 6.941 > 19 35 Li 0.44444444444444 0.88888888888889 0.69723392969191 6.941 > 19 36 Li 0.77777777777778 0.88888888888889 0.69723392969191 6.941 > 19 37 N 0.22222222222222 0.11111111111111 0.11269215090313 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.11269215090313 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.11269215090313 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.11269215090313 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.11269215090313 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.11269215090313 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.11269215090313 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.11269215090313 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.11269215090313 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.61269215090313 14.007 > 37 47 N 0.55555555555556 0.11111111111111 0.61269215090313 14.007 > 37 48 N 0.88888888888889 0.11111111111111 0.61269215090313 14.007 > 37 49 N 0.22222222222222 0.44444444444444 0.61269215090313 14.007 > 37 50 N 0.55555555555556 0.44444444444444 0.61269215090313 14.007 > 37 51 N 0.88888888888889 0.44444444444444 0.61269215090313 14.007 > 37 52 N 0.22222222222222 0.77777777777778 0.61269215090313 14.007 > 37 53 N 0.55555555555556 0.77777777777778 0.61269215090313 14.007 > 37 54 N 0.88888888888889 0.77777777777778 0.61269215090313 14.007 > 37 55 N 0.11111111111111 0.22222222222222 0.38730784909687 14.007 > 55 56 N 0.44444444444444 0.22222222222222 0.38730784909687 14.007 > 55 57 N 0.77777777777778 0.22222222222222 0.38730784909687 14.007 > 55 58 N 0.11111111111111 0.55555555555556 0.38730784909687 14.007 > 55 59 N 0.44444444444444 0.55555555555556 0.38730784909687 14.007 > 55 60 N 0.77777777777778 0.55555555555556 0.38730784909687 14.007 > 55 61 N 0.11111111111111 0.88888888888889 0.38730784909687 14.007 > 55 62 N 0.44444444444444 0.88888888888889 0.38730784909687 14.007 > 55 63 N 0.77777777777778 0.88888888888889 0.38730784909687 14.007 > 55 64 N 0.11111111111111 0.22222222222222 0.88730784909687 14.007 > 55 65 N 0.44444444444444 0.22222222222222 0.88730784909687 14.007 > 55 66 N 0.77777777777778 0.22222222222222 0.88730784909687 14.007 > 55 67 N 0.11111111111111 0.55555555555556 0.88730784909687 14.007 > 55 68 N 0.44444444444444 0.55555555555556 0.88730784909687 14.007 > 55 69 N 0.77777777777778 0.55555555555556 0.88730784909687 14.007 > 55 70 N 0.11111111111111 0.88888888888889 0.88730784909687 14.007 > 55 71 N 0.44444444444444 0.88888888888889 0.88730784909687 14.007 > 55 72 N 0.77777777777778 0.88888888888889 0.88730784909687 14.007 > 55 73 Ce 0.00000000000000 0.00000000000000 0.00000000000000 140.116 > 73 74 Ce 0.33333333333333 0.00000000000000 0.00000000000000 140.116 > 73 75 Ce 0.66666666666667 0.00000000000000 0.00000000000000 140.116 > 73 76 Ce 0.00000000000000 0.33333333333333 0.00000000000000 140.116 > 73 77 Ce 0.33333333333333 0.33333333333333 0.00000000000000 140.116 > 73 78 Ce 0.66666666666667 0.33333333333333 0.00000000000000 140.116 > 73 79 Ce 0.00000000000000 0.66666666666667 0.00000000000000 140.116 > 73 80 Ce 0.33333333333333 0.66666666666667 0.00000000000000 140.116 > 73 81 Ce 0.66666666666667 0.66666666666667 0.00000000000000 140.116 > 73 82 Ce 0.00000000000000 0.00000000000000 0.50000000000000 140.116 > 73 83 Ce 0.33333333333333 0.00000000000000 0.50000000000000 140.116 > 73 84 Ce 0.66666666666667 0.00000000000000 0.50000000000000 140.116 > 73 85 Ce 0.00000000000000 0.33333333333333 0.50000000000000 140.116 > 73 86 Ce 0.33333333333333 0.33333333333333 0.50000000000000 140.116 > 73 87 Ce 0.66666666666667 0.33333333333333 0.50000000000000 140.116 > 73 88 Ce 0.00000000000000 0.66666666666667 0.50000000000000 140.116 > 73 89 Ce 0.33333333333333 0.66666666666667 0.50000000000000 140.116 > 73 90 Ce 0.66666666666667 0.66666666666667 0.50000000000000 140.116 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.8761427 0.0000000 0.0000000 0.0000000 9.8761427 0.0000000 0.0000000 0.0000000 6.8291296 -------------------------- Born effective charges -------------------------- 1 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 2 Li 0.7516473 0.0000000 0.0000000 0.0000000 0.7516473 0.0000000 0.0000000 0.0000000 1.2590535 3 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 4 N -3.7090152 0.0000000 0.0000000 0.0000000 -3.7090152 0.0000000 0.0000000 0.0000000 -2.6339840 5 Ce 5.9147357 0.0000000 0.0000000 0.0000000 5.9147357 0.0000000 0.0000000 0.0000000 2.7498609 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 16 16 9 ] 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: 1.07, Number of G-points: 299, Lambda: 0.33 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/234) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 234 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 7.079 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 8.739 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.977 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/234) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 29.463 17.011 10.712) 35.668 0.747 ( 31.924 18.432 11.207) 38.529 1.372 ( 58.094 33.540 -10.876) 67.957 7.082 ( 0.290 0.167 -2.126) 2.153 7.840 ( -6.734 -3.888 7.596) 10.870 8.706 ( -2.635 -1.521 -2.127) 3.712 8.826 ( 6.232 3.598 -8.128) 10.856 9.944 ( -3.801 -2.194 2.661) 5.132 10.884 ( -7.435 -4.293 5.005) 9.938 12.956 ( -0.882 -0.509 -9.663) 9.717 13.022 ( 4.471 2.581 -0.097) 5.163 14.453 ( 6.125 3.536 9.251) 11.645 14.898 ( 0.962 0.555 0.073) 1.113 15.677 ( -5.313 -3.068 0.023) 6.135 16.348 ( 0.581 0.335 -2.737) 2.818 ======================= Grid point 2 (3/234) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 28.243 16.306 11.908) 34.719 1.494 ( 31.720 18.314 10.845) 38.199 2.707 ( 55.506 32.047 -9.497) 64.793 7.089 ( 0.184 0.106 -4.457) 4.462 7.659 ( -8.030 -4.636 8.507) 12.583 8.635 ( -2.940 -1.697 -2.751) 4.369 8.968 ( 4.751 2.743 -6.730) 8.683 9.811 ( -7.548 -4.358 3.930) 9.561 10.670 ( -9.734 -5.620 3.596) 11.801 12.937 ( -0.641 -0.370 -12.821) 12.843 13.170 ( 7.854 4.534 0.045) 9.069 14.630 ( 8.355 4.824 14.359) 17.299 14.924 ( 0.963 0.556 0.761) 1.348 15.500 ( -9.420 -5.439 0.037) 10.878 16.369 ( 1.224 0.707 -5.494) 5.673 ======================= Grid point 3 (4/234) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 24.910 14.382 13.484) 31.767 2.226 ( 30.602 17.668 10.170) 36.771 3.950 ( 49.985 28.859 -6.756) 58.112 7.087 ( -0.364 -0.210 -6.696) 6.710 7.487 ( -6.159 -3.556 5.784) 9.167 8.591 ( -0.461 -0.266 -1.976) 2.046 9.009 ( -1.608 -0.928 0.929) 2.076 9.595 ( -10.738 -6.200 3.890) 12.995 10.476 ( -6.105 -3.525 -4.558) 8.395 12.929 ( -0.080 -0.046 -11.849) 11.850 13.378 ( 9.625 5.557 0.335) 11.119 14.819 ( 7.291 4.209 13.454) 15.871 14.909 ( -3.667 -2.117 6.717) 7.940 15.275 ( -8.012 -4.626 -1.304) 9.342 16.405 ( 1.845 1.065 -7.961) 8.241 ======================= Grid point 4 (5/234) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 18.968 10.951 14.913) 26.497 2.914 ( 27.766 16.031 9.079) 33.322 5.006 ( 39.015 22.525 -1.369) 45.071 7.075 ( -0.593 -0.343 -7.987) 8.016 7.404 ( 0.064 0.037 -0.744) 0.747 8.621 ( 2.992 1.728 -1.179) 3.651 8.906 ( -6.388 -3.688 7.592) 10.586 9.318 ( -12.627 -7.290 3.516) 14.998 10.384 ( -2.406 -1.389 -12.589) 12.892 12.932 ( 0.381 0.220 -10.303) 10.312 13.608 ( 9.793 5.654 0.548) 11.321 14.685 ( -14.023 -8.096 4.111) 16.706 14.970 ( 5.149 2.973 21.958) 22.749 15.195 ( 0.360 0.208 -4.008) 4.029 16.455 ( 2.325 1.343 -9.544) 9.915 ======================= Grid point 5 (6/234) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 11.159 6.443 15.355) 20.045 3.509 ( 22.733 13.125 7.452) 27.287 5.717 ( 20.888 12.060 6.472) 24.973 7.068 ( 0.238 0.138 -7.757) 7.762 7.544 ( 12.496 7.214 -10.867) 18.063 8.716 ( 4.413 2.548 -2.017) 5.480 8.750 ( -6.311 -3.644 9.472) 11.951 9.022 ( -11.955 -6.902 4.244) 14.442 10.331 ( -2.566 -1.481 -15.531) 15.811 12.946 ( 0.793 0.458 -9.530) 9.574 13.826 ( 8.597 4.963 0.577) 9.943 14.323 ( -15.793 -9.118 8.687) 20.200 15.061 ( 2.668 1.540 18.749) 19.001 15.235 ( 2.434 1.405 -3.065) 4.159 16.513 ( 2.585 1.493 -9.586) 10.040 ======================= Grid point 6 (7/234) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 3.957 2.285 13.434) 14.190 3.963 ( 15.783 9.112 5.260) 18.969 6.022 ( 7.074 4.084 8.670) 11.912 7.090 ( 1.539 0.889 -6.129) 6.381 7.939 ( 18.940 10.935 -15.276) 26.677 8.628 ( -4.010 -2.315 8.598) 9.765 8.690 ( -8.706 -5.026 -2.195) 10.290 8.894 ( 3.125 1.804 3.983) 5.374 10.255 ( -3.850 -2.223 -13.844) 14.540 12.966 ( 0.709 0.409 -8.811) 8.849 13.980 ( -12.857 -7.423 10.882) 18.407 14.002 ( 6.339 3.660 0.447) 7.334 15.102 ( 1.009 0.583 13.352) 13.403 15.291 ( 2.109 1.217 -0.993) 2.630 16.572 ( 2.390 1.380 -7.748) 8.225 ======================= Grid point 7 (8/234) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 0.254 0.147 8.054) 8.059 4.242 ( 7.925 4.575 2.689) 9.538 6.121 ( 2.296 1.326 4.983) 5.645 7.131 ( 1.714 0.990 -3.428) 3.958 8.329 ( 12.817 7.400 -11.752) 18.899 8.498 ( -6.351 -3.667 -0.063) 7.334 8.560 ( -1.976 -1.141 6.718) 7.095 8.981 ( 3.094 1.786 1.141) 3.751 10.168 ( -3.072 -1.773 -8.218) 8.951 12.973 ( -0.126 -0.073 -5.816) 5.818 13.747 ( -6.740 -3.892 8.059) 11.204 14.117 ( 3.354 1.937 0.235) 3.880 15.115 ( 0.224 0.130 7.033) 7.038 15.329 ( 1.104 0.637 -0.096) 1.278 16.619 ( 1.482 0.855 -4.308) 4.635 ======================= Grid point 8 (9/234) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( 0.000 0.000 -0.000) 0.000 4.334 ( 0.000 0.000 -0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 -0.000) 0.000 8.504 ( -0.000 -0.000 0.000) 0.000 8.519 ( 0.000 0.000 -0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 10.129 ( 0.000 0.000 0.000) 0.000 12.968 ( 0.000 0.000 0.000) 0.000 13.669 ( 0.000 0.000 -0.000) 0.000 14.157 ( 0.000 0.000 -0.000) 0.000 15.117 ( 0.000 0.000 0.000) 0.000 15.342 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/234) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 14.332 24.825 0.000) 28.665 1.497 ( 20.830 36.079 0.000) 41.660 2.331 ( 32.159 55.701 0.000) 64.318 7.093 ( 0.422 0.732 0.000) 0.845 7.696 ( -5.061 -8.766 0.000) 10.122 8.763 ( 0.283 0.490 0.000) 0.565 8.842 ( 1.871 3.241 0.000) 3.742 9.793 ( -6.873 -11.904 0.000) 13.745 10.805 ( -2.135 -3.697 0.000) 4.269 13.014 ( 1.311 2.271 0.000) 2.622 13.019 ( 0.961 1.664 0.000) 1.921 14.593 ( 5.353 9.272 0.000) 10.707 14.917 ( 0.662 1.147 0.000) 1.324 15.556 ( -4.947 -8.568 0.000) 9.894 16.360 ( 0.479 0.829 0.000) 0.957 ======================= Grid point 19 (11/234) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 26.484 14.902 6.850) 31.152 2.192 ( 17.049 36.091 6.368) 40.420 3.496 ( 40.808 43.764 -4.651) 60.019 7.106 ( -0.366 1.386 -3.428) 3.716 7.527 ( -4.478 -6.969 4.005) 9.201 8.693 ( -7.665 4.926 -1.008) 9.167 8.955 ( 6.458 -2.485 -1.920) 7.181 9.510 ( -4.771 -21.447 2.445) 22.106 10.718 ( -9.527 6.848 -0.245) 11.735 12.980 ( -4.151 4.326 -11.507) 12.976 13.177 ( 12.652 -2.452 5.166) 13.884 14.790 ( 5.289 9.815 7.855) 13.638 14.927 ( -0.730 -0.908 1.643) 2.014 15.350 ( -7.414 -8.631 -0.271) 11.382 16.383 ( 1.322 0.649 -3.916) 4.184 ======================= Grid point 20 (12/234) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 25.986 8.860 10.516) 29.400 2.830 ( 15.727 32.688 7.847) 37.114 4.594 ( 38.258 33.321 -3.165) 50.833 7.105 ( -1.482 1.771 -6.004) 6.433 7.416 ( -2.038 -2.338 2.164) 3.782 8.639 ( -2.742 3.365 -1.760) 4.684 8.955 ( -3.667 -4.158 4.647) 7.234 9.243 ( 0.668 -21.427 1.571) 21.495 10.618 ( -12.509 11.786 -6.074) 18.229 12.962 ( -2.337 3.178 -11.062) 11.744 13.398 ( 14.808 -2.354 3.881) 15.489 14.801 ( -9.133 -8.886 1.120) 12.792 14.962 ( 3.249 8.517 16.922) 19.221 15.200 ( -1.811 -2.014 -2.957) 4.010 16.419 ( 2.247 0.266 -6.923) 7.283 ======================= Grid point 21 (13/234) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 19.428 3.068 13.127) 23.646 3.401 ( 14.497 27.151 6.999) 31.564 5.454 ( 26.717 20.558 2.708) 33.819 7.096 ( -1.566 2.215 -6.826) 7.345 7.448 ( 5.623 4.805 -5.439) 9.180 8.658 ( 1.881 -1.649 -1.975) 3.187 8.787 ( -4.961 -6.909 6.118) 10.477 9.091 ( -2.665 -7.750 4.678) 9.437 10.516 ( -11.962 10.236 -11.825) 19.690 12.961 ( -1.107 2.586 -10.219) 10.599 13.635 ( 14.342 -2.023 3.328) 14.861 14.476 ( -13.677 -12.155 6.023) 19.264 15.073 ( 0.828 6.252 17.603) 18.699 15.210 ( 1.947 1.278 -4.265) 4.859 16.466 ( 3.055 -0.249 -8.475) 9.012 ======================= Grid point 22 (14/234) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 11.288 -3.332 13.730) 18.084 3.878 ( 11.605 20.950 5.126) 24.492 5.923 ( 11.155 8.141 8.059) 15.989 7.103 ( -0.516 2.962 -6.163) 6.857 7.727 ( 16.163 9.934 -12.981) 22.988 8.544 ( -1.877 -13.503 1.289) 13.694 8.790 ( 2.141 3.530 0.859) 4.217 8.984 ( -6.778 4.828 7.984) 11.532 10.398 ( -10.706 5.679 -13.985) 18.505 12.972 ( -0.435 2.037 -9.725) 9.945 13.847 ( 11.855 -2.324 3.453) 12.564 14.120 ( -12.747 -10.284 8.599) 18.498 15.124 ( -0.659 4.037 14.097) 14.679 15.265 ( 2.253 1.514 -2.011) 3.378 16.519 ( 3.564 -0.900 -8.096) 8.891 ======================= Grid point 23 (15/234) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 6.237 -8.646 10.737) 15.130 4.220 ( 6.155 15.373 3.056) 16.839 6.088 ( 3.580 2.405 6.665) 7.939 7.134 ( 0.312 3.036 -4.184) 5.179 8.117 ( 16.344 5.249 -12.172) 21.044 8.399 ( 0.082 -10.502 0.393) 10.510 8.815 ( -6.801 9.971 5.288) 13.177 8.991 ( -0.779 7.974 2.510) 8.396 10.266 ( -8.268 2.102 -11.394) 14.234 12.979 ( -0.605 0.700 -7.911) 7.964 13.827 ( -7.830 -7.041 10.523) 14.887 14.017 ( 7.625 -1.819 0.716) 7.872 15.140 ( -1.263 2.788 9.061) 9.565 15.311 ( 1.580 0.722 -0.438) 1.792 16.569 ( 3.442 -1.741 -5.775) 6.945 ======================= Grid point 24 (16/234) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 5.645 -10.801 4.096) 12.857 4.398 ( -0.986 10.570 1.011) 10.664 6.138 ( 1.120 0.215 2.347) 2.610 7.164 ( -0.087 1.935 -1.482) 2.439 8.267 ( 3.786 -7.903 -1.594) 8.907 8.419 ( 7.178 -2.160 -3.228) 8.162 8.798 ( -10.595 17.508 3.229) 20.718 9.052 ( -0.758 4.973 -0.062) 5.031 10.173 ( -3.947 1.742 -4.411) 6.170 12.968 ( -0.421 -0.465 -3.043) 3.107 13.688 ( -2.870 -1.695 4.226) 5.382 14.099 ( 4.419 -3.420 0.385) 5.601 15.142 ( -1.348 2.292 3.183) 4.147 15.335 ( 0.721 -0.106 -0.030) 0.729 16.600 ( 2.514 -2.714 -2.085) 4.246 ======================= Grid point 35 (17/234) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 12.405 21.485 0.000) 24.809 2.877 ( 18.002 31.181 0.000) 36.004 4.412 ( 25.927 44.908 0.000) 51.855 7.134 ( 0.616 1.066 0.000) 1.231 7.420 ( -1.690 -2.928 0.000) 3.381 8.732 ( -1.394 -2.414 0.000) 2.788 8.943 ( 1.288 2.231 0.000) 2.576 9.081 ( -10.815 -18.732 0.000) 21.629 10.826 ( 1.528 2.647 0.000) 3.056 13.079 ( 0.870 1.507 0.000) 1.740 13.150 ( 2.427 4.204 0.000) 4.854 14.834 ( -5.550 -9.614 0.000) 11.101 14.985 ( 5.053 8.751 0.000) 10.105 15.208 ( -2.198 -3.808 0.000) 4.397 16.398 ( 0.481 0.833 0.000) 0.961 ======================= Grid point 36 (18/234) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 14.814 10.807 5.431) 19.125 3.456 ( 13.602 28.551 3.010) 31.768 5.248 ( 24.161 29.780 0.350) 38.349 7.144 ( -0.889 1.630 -2.865) 3.413 7.425 ( 2.393 3.633 -1.197) 4.512 8.623 ( -4.215 -9.139 -1.361) 10.156 8.802 ( -4.094 -5.939 1.513) 7.370 9.020 ( 4.024 0.580 2.718) 4.890 10.815 ( -7.797 6.282 -4.033) 10.795 13.056 ( -4.948 6.020 -10.121) 12.774 13.333 ( 14.510 -3.110 7.700) 16.718 14.554 ( -10.637 -14.580 2.179) 18.179 15.129 ( 1.675 7.292 9.561) 12.140 15.193 ( 1.251 0.831 -4.376) 4.626 16.418 ( 1.556 -0.315 -3.572) 3.909 ======================= Grid point 37 (19/234) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 11.046 -1.119 9.222) 14.433 3.936 ( 10.021 25.034 3.074) 27.140 5.809 ( 13.819 14.011 4.641) 20.219 7.147 ( -0.746 2.438 -4.009) 4.751 7.596 ( 9.634 9.090 -6.971) 14.968 8.443 ( -2.280 -12.546 -1.000) 12.791 8.783 ( 1.827 2.882 0.751) 3.495 9.099 ( 0.723 7.159 6.232) 9.519 10.690 ( -12.906 5.543 -8.650) 16.496 13.040 ( -3.590 5.219 -10.959) 12.658 13.560 ( 15.350 -4.866 8.036) 17.996 14.213 ( -11.150 -13.116 4.865) 17.889 15.187 ( -0.851 4.225 10.672) 11.510 15.248 ( 1.948 2.603 -3.284) 4.621 16.446 ( 2.729 -1.684 -5.568) 6.425 ======================= Grid point 38 (20/234) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 7.046 -11.960 9.933) 17.069 4.313 ( 5.780 21.610 1.972) 22.456 6.048 ( 4.665 4.163 6.149) 8.769 7.169 ( -0.177 3.187 -3.220) 4.534 7.903 ( 14.062 6.575 -9.728) 18.320 8.304 ( -0.798 -9.031 -1.035) 9.125 8.886 ( 3.849 6.496 1.731) 7.746 9.191 ( -3.330 14.843 6.598) 16.581 10.492 ( -13.534 2.589 -10.896) 17.567 13.025 ( -3.122 3.015 -9.996) 10.898 13.742 ( 10.544 -7.630 10.356) 16.633 13.944 ( -5.777 -6.416 3.202) 9.208 15.203 ( -1.627 3.399 7.771) 8.637 15.295 ( 1.153 1.404 -0.776) 1.976 16.478 ( 3.580 -3.073 -5.408) 7.177 ======================= Grid point 39 (21/234) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 7.288 -18.118 6.484) 20.577 4.565 ( -0.485 18.268 0.898) 18.296 6.114 ( 1.611 -0.035 3.613) 3.956 7.196 ( -0.510 2.845 -1.573) 3.291 8.132 ( 6.477 -2.588 -4.872) 8.508 8.261 ( 5.446 -4.020 -2.088) 7.084 9.036 ( 2.772 10.888 2.514) 11.514 9.252 ( -9.553 17.799 3.436) 20.491 10.301 ( -9.023 0.807 -8.197) 12.217 12.988 ( -2.594 0.152 -5.677) 6.243 13.714 ( -1.980 -3.804 7.604) 8.730 13.946 ( 7.046 -4.891 0.965) 8.631 15.203 ( -2.052 3.187 4.463) 5.856 15.319 ( 0.794 0.067 -0.224) 0.828 16.505 ( 3.696 -4.331 -3.273) 6.568 ======================= Grid point 40 (22/234) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 10.695 -18.525 0.000) 21.391 4.655 ( -8.214 14.227 0.000) 16.428 6.126 ( 0.874 -1.513 0.000) 1.747 7.206 ( -1.257 2.176 0.000) 2.513 8.146 ( 2.461 -4.263 0.000) 4.922 8.321 ( 3.898 -6.751 -0.000) 7.795 9.159 ( -3.222 5.580 0.000) 6.444 9.221 ( -12.909 22.358 0.000) 25.817 10.223 ( -1.672 2.896 -0.000) 3.344 12.961 ( -0.105 0.181 0.000) 0.209 13.678 ( -0.260 0.450 -0.000) 0.519 13.987 ( 4.266 -7.389 0.000) 8.532 15.200 ( -1.891 3.275 0.000) 3.782 15.326 ( 0.363 -0.629 -0.000) 0.727 16.516 ( 3.006 -5.207 -0.000) 6.012 ======================= Grid point 53 (23/234) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 2.823 4.889 0.000) 5.646 3.982 ( 13.524 23.424 0.000) 27.048 5.753 ( 11.041 19.124 0.000) 22.082 7.167 ( 0.514 0.890 0.000) 1.027 7.561 ( 5.389 9.334 0.000) 10.778 8.394 ( -5.510 -9.543 0.000) 11.020 8.783 ( 1.193 2.067 0.000) 2.386 9.125 ( 4.860 8.418 0.000) 9.720 10.851 ( -1.591 -2.756 0.000) 3.182 13.177 ( 2.185 3.785 0.000) 4.370 13.308 ( 1.391 2.409 0.000) 2.782 14.244 ( -8.727 -15.115 0.000) 17.453 15.214 ( 0.825 1.429 0.000) 1.651 15.250 ( 2.426 4.203 0.000) 4.853 16.410 ( -0.246 -0.426 0.000) 0.491 ======================= Grid point 54 (24/234) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 0.785 -9.507 4.153) 10.405 4.412 ( 9.231 22.064 0.620) 23.925 6.016 ( 4.773 6.357 2.608) 8.366 7.192 ( 0.717 2.208 -1.216) 2.621 7.778 ( 8.349 8.244 -3.752) 12.318 8.250 ( -2.186 -6.636 -0.697) 7.022 8.878 ( 4.349 6.906 0.546) 8.180 9.333 ( 4.577 14.842 2.978) 15.815 10.716 ( -9.697 -3.019 -4.413) 11.073 13.169 ( -7.660 7.130 -11.764) 15.745 13.441 ( 13.465 -6.857 11.648) 19.079 13.979 ( -6.471 -9.173 1.726) 11.358 15.239 ( 0.324 1.527 2.228) 2.720 15.308 ( 0.312 2.598 0.513) 2.666 16.403 ( 1.151 -2.349 -2.332) 3.505 ======================= Grid point 55 (25/234) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 1.982 -19.781 5.088) 20.521 4.748 ( 3.604 21.177 0.305) 21.484 6.086 ( 1.054 -0.588 2.889) 3.131 7.228 ( 0.228 2.704 -0.647) 2.789 7.989 ( 8.411 2.473 -4.728) 9.961 8.173 ( 0.074 -4.511 -0.726) 4.570 9.061 ( 5.664 10.507 0.799) 11.963 9.548 ( -0.848 19.059 4.655) 19.637 10.483 ( -11.785 -3.585 -7.126) 14.231 13.079 ( -7.017 1.743 -7.853) 10.674 13.591 ( 10.295 -5.698 9.577) 15.172 13.848 ( -1.293 -3.642 0.738) 3.935 15.256 ( -0.390 1.839 2.620) 3.225 15.321 ( -0.649 1.053 0.363) 1.289 16.403 ( 2.463 -4.076 -2.629) 5.440 ======================= Grid point 56 (26/234) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 8.398 -22.708 2.283) 24.319 4.947 ( -4.827 18.971 0.047) 19.576 6.078 ( 1.376 -3.703 1.141) 4.112 7.249 ( -0.837 2.419 -0.112) 2.562 8.080 ( 1.962 -1.908 -1.345) 3.049 8.179 ( 4.733 -4.393 -0.944) 6.526 9.248 ( 1.861 9.793 0.188) 9.970 9.655 ( -9.618 20.130 3.329) 22.556 10.288 ( -5.349 -2.092 -4.439) 7.259 12.992 ( -3.349 0.629 -2.298) 4.110 13.676 ( 2.643 -0.169 3.338) 4.261 13.826 ( 3.785 -6.768 0.167) 7.756 15.264 ( -1.330 2.707 1.372) 3.313 15.316 ( -0.111 -0.337 -0.130) 0.378 16.405 ( 3.088 -5.168 -1.112) 6.122 ======================= Grid point 70 (27/234) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -8.909 -15.431 0.000) 17.818 4.830 ( 10.930 18.931 0.000) 21.860 6.072 ( -0.269 -0.467 0.000) 0.539 7.240 ( 1.345 2.330 0.000) 2.690 7.923 ( 3.549 6.148 0.000) 7.099 8.152 ( -2.010 -3.481 0.000) 4.020 9.063 ( 6.301 10.914 0.000) 12.603 9.652 ( 8.839 15.310 0.000) 17.678 10.580 ( -5.644 -9.776 0.000) 11.289 13.221 ( -3.527 -6.110 0.000) 7.055 13.388 ( 3.518 6.094 0.000) 7.036 13.848 ( -2.400 -4.157 0.000) 4.800 15.263 ( 0.575 0.995 0.000) 1.149 15.340 ( 0.309 0.534 0.000) 0.617 16.357 ( -1.193 -2.067 0.000) 2.386 ======================= Grid point 71 (28/234) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -2.430 -20.685 1.381) 20.873 5.163 ( 3.943 19.428 -0.082) 19.824 6.019 ( -1.092 -6.032 0.709) 6.171 7.277 ( 0.284 1.987 0.092) 2.009 8.025 ( 3.306 1.437 -1.280) 3.825 8.102 ( 0.003 -2.753 -0.089) 2.754 9.292 ( 5.451 11.567 0.009) 12.787 9.908 ( 1.784 15.141 2.954) 15.529 10.359 ( -7.628 -7.912 -3.495) 11.533 13.082 ( -5.715 -1.163 -2.316) 6.275 13.547 ( 8.449 1.181 2.907) 9.012 13.778 ( -2.000 -3.513 0.140) 4.045 15.284 ( 0.613 1.101 0.381) 1.316 15.334 ( -1.167 0.117 0.305) 1.211 16.324 ( 0.664 -3.415 -0.669) 3.543 ======================= Grid point 72 (29/234) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 10.040 -17.390 0.000) 20.081 5.311 ( -9.272 16.060 -0.000) 18.544 5.964 ( 4.160 -7.205 0.000) 8.320 7.290 ( -0.832 1.442 0.000) 1.665 8.057 ( 0.317 -0.550 0.000) 0.635 8.095 ( 1.931 -3.344 -0.000) 3.862 9.418 ( -3.773 6.535 0.000) 7.546 10.001 ( -7.242 12.544 0.000) 14.484 10.232 ( 1.593 -2.759 -0.000) 3.185 13.024 ( -1.366 2.365 0.000) 2.731 13.684 ( 2.998 -5.192 0.000) 5.995 13.690 ( 0.182 -0.315 -0.000) 0.364 15.308 ( 0.029 -0.049 -0.000) 0.057 15.309 ( -0.798 1.382 0.000) 1.596 16.312 ( 2.061 -3.570 -0.000) 4.122 ======================= Grid point 88 (30/234) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -5.542 -9.599 0.000) 11.084 5.518 ( 8.380 14.514 0.000) 16.760 5.849 ( -5.680 -9.838 0.000) 11.360 7.304 ( 0.376 0.651 0.000) 0.752 8.049 ( 0.432 0.748 0.000) 0.863 8.062 ( -0.627 -1.086 0.000) 1.254 9.490 ( 3.703 6.414 0.000) 7.407 10.125 ( 3.341 5.786 0.000) 6.682 10.206 ( -3.227 -5.589 0.000) 6.453 13.058 ( -0.441 -0.765 0.000) 0.883 13.608 ( 2.317 4.013 0.000) 4.634 13.701 ( -2.343 -4.059 0.000) 4.687 15.305 ( 0.590 1.021 0.000) 1.179 15.326 ( -0.432 -0.749 0.000) 0.865 16.274 ( -0.762 -1.319 0.000) 1.523 ======================= Grid point 271 (31/234) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.000 34.165) 34.165 0.727 ( 0.000 -0.000 34.165) 34.165 1.194 ( -0.000 0.000 56.676) 56.676 7.055 ( 0.000 0.000 -2.243) 2.243 7.055 ( -0.000 -0.000 -2.243) 2.243 8.699 ( 0.000 0.000 -3.650) 3.650 8.699 ( 0.000 -0.000 -3.650) 3.650 10.016 ( 0.000 0.000 2.523) 2.523 10.016 ( 0.000 -0.000 2.523) 2.523 11.976 ( 0.000 0.000 -17.558) 17.558 12.971 ( -0.000 0.000 0.204) 0.204 12.971 ( 0.000 -0.000 0.204) 0.204 14.949 ( 0.000 0.000 5.181) 5.181 15.733 ( -0.000 -0.000 -0.319) 0.319 18.574 ( -0.000 0.000 3.525) 3.525 ======================= Grid point 272 (32/234) ======================= q-point: ( 0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 29.136 16.822 19.244) 38.758 1.178 ( 25.112 14.498 25.963) 38.921 1.629 ( 35.245 20.349 35.861) 54.243 7.018 ( -1.457 -0.841 -3.933) 4.278 7.698 ( 14.020 8.095 -16.558) 23.157 8.635 ( -3.286 -1.897 -4.366) 5.785 8.785 ( 1.278 0.738 3.408) 3.714 10.012 ( -2.764 -1.596 3.599) 4.811 10.581 ( 17.185 9.922 -26.603) 33.188 12.275 ( 9.377 5.414 -46.990) 48.222 13.024 ( 4.569 2.638 0.245) 5.282 13.386 ( 32.842 18.961 -23.386) 44.553 14.964 ( 1.194 0.689 5.318) 5.493 15.733 ( -0.147 -0.085 0.594) 0.618 17.658 ( -43.124 -24.897 51.866) 71.900 ======================= Grid point 273 (33/234) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 25.815 14.904 19.838) 35.806 1.813 ( 28.281 16.328 18.397) 37.482 2.685 ( 50.141 28.949 9.185) 58.621 6.985 ( -1.465 -0.846 -5.374) 5.634 7.760 ( -4.460 -2.575 0.238) 5.155 8.564 ( -2.338 -1.350 -3.762) 4.631 8.879 ( 6.795 3.923 -0.819) 7.888 9.888 ( -7.709 -4.451 3.245) 9.475 10.611 ( -9.140 -5.277 -8.597) 13.613 12.410 ( 5.088 2.938 -37.592) 38.048 13.176 ( 8.123 4.690 0.544) 9.395 14.040 ( 20.477 11.822 -34.624) 41.927 15.003 ( 2.176 1.256 5.468) 6.018 15.713 ( -1.814 -1.047 5.105) 5.518 16.941 ( -20.879 -12.054 42.912) 49.221 ======================= Grid point 274 (34/234) ======================= q-point: ( 0.19 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 23.511 13.574 16.334) 31.683 2.477 ( 28.041 16.189 13.170) 34.955 3.861 ( 49.102 28.349 -0.667) 56.702 6.951 ( -1.323 -0.764 -6.093) 6.282 7.601 ( -7.885 -4.552 4.602) 10.202 8.539 ( 0.361 0.208 -2.784) 2.815 9.045 ( 5.937 3.428 2.509) 7.300 9.663 ( -11.203 -6.468 2.471) 13.170 10.313 ( -13.987 -8.076 -10.708) 19.379 12.536 ( 5.373 3.102 -25.664) 26.403 13.390 ( 9.821 5.670 0.799) 11.369 14.370 ( 8.426 4.865 -27.930) 29.576 15.064 ( 2.949 1.703 5.046) 6.088 15.648 ( -3.501 -2.022 12.804) 13.427 16.585 ( -10.609 -6.125 24.413) 27.314 ======================= Grid point 275 (35/234) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 18.227 10.524 13.429) 24.966 3.107 ( 25.342 14.631 8.945) 30.599 4.941 ( 42.166 24.345 -4.104) 48.862 6.929 ( -0.321 -0.186 -5.566) 5.578 7.428 ( -6.114 -3.530 2.850) 7.613 8.580 ( 2.889 1.668 -2.576) 4.215 9.101 ( -1.979 -1.142 10.982) 11.218 9.380 ( -12.452 -7.189 2.339) 14.568 10.042 ( -7.880 -4.549 -19.951) 21.928 12.648 ( 3.989 2.303 -16.847) 17.466 13.622 ( 9.792 5.653 0.805) 11.336 14.453 ( -0.948 -0.548 -16.566) 16.602 15.137 ( 3.157 1.823 2.958) 4.694 15.568 ( -2.943 -1.699 18.596) 18.904 16.416 ( -4.217 -2.435 8.371) 9.684 ======================= Grid point 276 (36/234) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 10.219 5.900 11.605) 16.550 3.645 ( 20.171 11.646 5.112) 23.846 5.778 ( 27.695 15.990 -0.874) 31.992 6.944 ( 1.668 0.963 -3.821) 4.279 7.365 ( 2.290 1.322 -5.328) 5.948 8.652 ( 2.303 1.329 -3.811) 4.647 8.967 ( -8.148 -4.704 10.533) 14.123 9.107 ( -9.932 -5.734 3.623) 12.027 9.951 ( -0.775 -0.447 -19.877) 19.897 12.724 ( 2.714 1.567 -11.772) 12.182 13.838 ( 8.430 4.867 0.580) 9.751 14.349 ( -7.324 -4.229 -3.352) 9.097 15.203 ( 2.262 1.306 0.175) 2.618 15.514 ( -1.835 -1.059 19.518) 19.633 16.374 ( 0.428 0.247 -1.897) 1.960 ======================= Grid point 277 (37/234) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 1.476 0.852 10.037) 10.181 4.038 ( 13.148 7.591 1.588) 15.265 6.183 ( 7.559 4.364 6.366) 10.803 7.008 ( 3.710 2.142 -1.413) 4.511 7.588 ( 15.991 9.233 -17.098) 25.166 8.625 ( -5.061 -2.922 -3.734) 6.935 8.774 ( -7.667 -4.427 3.880) 9.666 8.978 ( -0.668 -0.385 3.711) 3.790 9.969 ( 1.972 1.138 -11.758) 11.976 12.784 ( 2.640 1.524 -8.756) 9.272 14.010 ( 6.101 3.522 0.251) 7.049 14.139 ( -10.103 -5.833 5.117) 12.739 15.236 ( 0.445 0.257 -1.256) 1.357 15.470 ( -2.081 -1.202 17.068) 17.236 16.424 ( 3.563 2.057 -5.745) 7.066 ======================= Grid point 278 (38/234) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( -4.798 -2.770 7.142) 9.039 4.256 ( 5.478 3.163 -1.372) 6.473 6.232 ( -1.454 -0.839 5.748) 5.988 7.106 ( 4.332 2.501 1.108) 5.123 7.999 ( 16.567 9.565 -19.031) 26.984 8.486 ( -5.263 -3.039 -1.032) 6.164 8.625 ( -4.884 -2.820 -1.224) 5.771 9.005 ( 1.546 0.892 1.094) 2.093 10.040 ( 4.119 2.378 -3.403) 5.849 12.857 ( 3.690 2.131 -5.337) 6.829 13.898 ( -9.981 -5.763 6.699) 13.331 14.119 ( 3.122 1.802 -0.061) 3.605 15.216 ( -2.281 -1.317 -0.323) 2.654 15.419 ( -2.068 -1.194 10.964) 11.221 16.524 ( 4.593 2.652 -4.666) 7.064 ======================= Grid point 279 (39/234) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -6.937 -4.005 1.769) 8.203 4.295 ( -2.134 -1.232 -3.618) 4.377 6.160 ( -4.378 -2.528 1.409) 5.248 7.194 ( 2.866 1.655 3.680) 4.949 8.289 ( 7.620 4.399 -13.833) 16.394 8.418 ( -0.123 -0.071 -0.223) 0.264 8.545 ( -2.377 -1.372 -3.389) 4.361 9.017 ( -0.853 -0.492 -0.240) 1.013 10.162 ( 6.232 3.598 2.375) 7.577 12.965 ( 5.660 3.268 0.040) 6.536 13.690 ( -7.404 -4.275 2.246) 8.839 14.153 ( -0.193 -0.111 -0.293) 0.368 15.132 ( -4.667 -2.695 -0.058) 5.390 15.379 ( -1.411 -0.815 4.543) 4.827 16.625 ( 3.768 2.175 -1.215) 4.517 ======================= Grid point 281 (40/234) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( -6.666 -3.849 -5.191) 9.284 4.156 ( -9.737 -5.621 -5.220) 12.396 6.032 ( -6.556 -3.785 -3.422) 8.308 7.235 ( 0.764 0.441 6.225) 6.287 8.391 ( 2.642 1.525 -8.726) 9.244 8.449 ( -7.466 -4.310 -0.355) 8.628 8.487 ( 5.925 3.421 -1.074) 6.926 8.962 ( -3.736 -2.157 -0.668) 4.365 10.322 ( 7.064 4.079 5.200) 9.674 13.107 ( 5.375 3.103 7.655) 9.855 13.581 ( -0.828 -0.478 -7.311) 7.374 14.110 ( -3.494 -2.017 -0.424) 4.057 15.015 ( -4.886 -2.821 -2.918) 6.352 15.349 ( -1.230 -0.710 1.789) 2.285 16.694 ( 2.104 1.215 2.840) 3.737 ======================= Grid point 282 (41/234) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -7.295 -4.212 -10.699) 13.617 3.840 ( -17.123 -9.886 -6.159) 20.709 5.846 ( -9.710 -5.606 -7.927) 13.732 7.241 ( -0.003 -0.002 8.057) 8.057 8.164 ( -16.178 -9.340 5.656) 19.518 8.466 ( 4.198 2.424 -6.358) 7.995 8.676 ( 9.312 5.376 -4.128) 11.518 8.855 ( -4.564 -2.635 0.943) 5.353 10.473 ( 5.385 3.109 6.191) 8.774 13.157 ( -0.973 -0.562 9.987) 10.050 13.695 ( 9.729 5.617 -15.548) 19.182 13.993 ( -6.397 -3.693 -0.435) 7.400 14.918 ( -3.101 -1.790 -4.458) 5.718 15.321 ( -1.062 -0.613 1.546) 1.974 16.725 ( 0.598 0.345 6.804) 6.839 ======================= Grid point 283 (42/234) ======================= q-point: (-0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -10.558 -6.096 -11.495) 16.756 3.363 ( -23.365 -13.490 -6.202) 27.683 5.541 ( -17.474 -10.089 -9.694) 22.385 7.242 ( 0.050 0.029 8.560) 8.561 7.755 ( -16.860 -9.734 8.395) 21.201 8.599 ( 7.124 4.113 -5.003) 9.628 8.704 ( -4.635 -2.676 -3.823) 6.577 8.966 ( 11.730 6.772 -0.396) 13.550 10.558 ( 1.679 0.969 6.059) 6.362 13.110 ( -2.289 -1.322 5.955) 6.516 13.816 ( -8.529 -4.924 -0.301) 9.853 13.935 ( 8.662 5.001 -25.064) 26.986 14.888 ( 0.882 0.509 0.173) 1.033 15.306 ( 0.107 0.062 3.211) 3.214 16.729 ( -0.025 -0.014 10.903) 10.904 ======================= Grid point 284 (43/234) ======================= q-point: (-0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -15.216 -8.785 -6.427) 18.709 2.763 ( -27.492 -15.873 -4.998) 32.136 4.974 ( -31.499 -18.186 -4.552) 36.656 7.238 ( -0.565 -0.326 7.387) 7.416 7.455 ( -7.831 -4.521 3.790) 9.804 8.618 ( -2.146 -1.239 -1.664) 2.985 8.795 ( 9.363 5.405 -3.142) 11.258 9.249 ( 12.007 6.932 -2.691) 14.123 10.553 ( -1.797 -1.038 4.014) 4.519 13.061 ( -1.892 -1.092 1.527) 2.665 13.602 ( -9.588 -5.536 -0.029) 11.072 14.035 ( -0.545 -0.315 -38.376) 38.381 14.949 ( 3.264 1.884 5.636) 6.780 15.351 ( 4.289 2.476 7.169) 8.713 16.736 ( 1.037 0.599 16.510) 16.553 ======================= Grid point 285 (44/234) ======================= q-point: (-0.19 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -18.712 -10.804 3.730) 21.927 2.095 ( -29.061 -16.778 -1.932) 33.612 4.084 ( -43.559 -25.149 5.017) 50.548 7.210 ( -1.819 -1.050 4.833) 5.270 7.383 ( 0.897 0.518 -3.911) 4.046 8.611 ( 1.368 0.790 -0.235) 1.597 9.011 ( 8.202 4.736 1.188) 9.546 9.516 ( 10.601 6.121 -3.318) 12.683 10.495 ( -2.537 -1.464 -2.456) 3.823 13.016 ( -2.250 -1.299 -5.084) 5.709 13.377 ( -9.365 -5.407 0.289) 10.818 13.921 ( -8.880 -5.127 -45.150) 46.300 14.994 ( 0.453 0.262 5.299) 5.325 15.503 ( 7.672 4.429 8.409) 12.214 16.803 ( 5.373 3.102 26.320) 27.042 ======================= Grid point 286 (45/234) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -27.578 -15.922 4.642) 32.180 1.432 ( -18.762 -10.832 18.248) 28.326 2.984 ( -49.280 -28.452 15.419) 58.955 7.158 ( -2.463 -1.422 2.015) 3.485 7.454 ( 4.165 2.404 -10.480) 11.531 8.664 ( 2.641 1.525 -0.167) 3.054 9.124 ( 0.207 0.120 8.042) 8.045 9.742 ( 8.604 4.968 -2.354) 10.210 10.466 ( 0.300 0.173 -15.235) 15.239 12.934 ( -5.725 -3.305 -19.059) 20.173 13.174 ( -7.713 -4.453 0.471) 8.918 13.617 ( -17.417 -10.056 -45.293) 49.557 14.985 ( -0.899 -0.519 5.368) 5.468 15.658 ( 4.886 2.821 3.863) 6.838 17.038 ( 16.228 9.369 41.891) 45.891 ======================= Grid point 287 (46/234) ======================= q-point: (-0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -18.616 -10.748 19.374) 28.938 1.044 ( -13.506 -7.798 34.081) 37.480 1.839 ( -46.067 -26.597 30.672) 61.403 7.102 ( -2.235 -1.291 -0.335) 2.603 7.503 ( -3.979 -2.298 -19.331) 19.869 8.711 ( 0.924 0.534 -1.764) 2.062 8.978 ( -13.192 -7.616 3.813) 15.703 9.915 ( 6.079 3.510 0.055) 7.020 10.436 ( -7.903 -4.563 -27.989) 29.439 12.584 ( -30.921 -17.852 -56.441) 66.786 13.028 ( -4.553 -2.628 0.391) 5.271 13.161 ( -16.121 -9.308 -11.819) 22.050 14.962 ( -0.940 -0.543 5.333) 5.443 15.725 ( 1.133 0.654 0.331) 1.349 17.675 ( 41.160 23.764 51.342) 69.964 ======================= Grid point 289 (47/234) ======================= q-point: ( 0.06 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 22.715 11.297 27.832) 37.659 1.545 ( 29.926 25.039 6.965) 39.637 2.543 ( 17.112 54.404 18.001) 59.805 7.060 ( -5.041 3.501 -3.021) 6.841 7.618 ( 8.670 -9.196 -6.892) 14.395 8.750 ( 5.192 1.058 -4.007) 6.643 8.870 ( -17.060 9.594 5.531) 20.339 9.810 ( -1.849 -16.008 1.353) 16.171 10.638 ( 8.897 -0.252 -14.892) 17.349 12.597 ( -15.341 17.435 -36.720) 43.447 13.088 ( 4.614 3.160 1.473) 5.783 13.763 ( 26.233 16.430 -35.939) 47.431 14.985 ( 1.275 1.251 5.435) 5.721 15.703 ( -0.083 -3.340 3.044) 4.520 17.120 ( -15.931 -21.688 46.923) 54.092 ======================= Grid point 290 (48/234) ======================= q-point: ( 0.12 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 28.368 8.300 21.958) 36.821 2.309 ( 25.612 26.109 4.711) 36.876 3.499 ( 32.021 45.760 5.048) 56.079 7.016 ( -4.093 3.537 -4.711) 7.173 7.594 ( 0.630 -9.497 1.895) 9.705 8.684 ( -12.154 7.993 -0.514) 14.556 8.917 ( 10.538 -0.014 -0.740) 10.564 9.552 ( -3.311 -24.040 1.426) 24.309 10.638 ( -11.352 6.117 -7.162) 14.751 12.567 ( -3.973 10.228 -28.785) 30.805 13.245 ( 9.804 1.974 2.036) 10.205 14.235 ( 14.182 7.417 -32.097) 35.866 15.031 ( 2.456 1.334 5.328) 6.017 15.649 ( -1.048 -5.309 9.273) 10.736 16.724 ( -12.461 -8.262 31.141) 34.544 ======================= Grid point 291 (49/234) ======================= q-point: ( 0.19 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 27.049 5.357 16.728) 32.251 2.967 ( 19.476 25.772 4.915) 32.676 4.527 ( 36.706 34.723 -2.765) 50.603 6.989 ( -3.452 4.453 -4.700) 7.338 7.482 ( -3.990 -5.301 3.734) 7.613 8.605 ( -3.845 3.963 -1.481) 5.717 9.071 ( 4.210 -0.770 6.332) 7.642 9.251 ( 0.501 -24.950 -0.830) 24.969 10.428 ( -21.094 12.051 -11.737) 26.980 12.633 ( 1.167 5.889 -20.337) 21.205 13.458 ( 12.191 1.370 2.237) 12.470 14.431 ( 3.759 0.766 -22.635) 22.958 15.097 ( 3.299 1.457 3.995) 5.382 15.572 ( -1.188 -4.991 15.449) 16.279 16.495 ( -7.659 -2.684 15.331) 17.346 ======================= Grid point 292 (50/234) ======================= q-point: ( 0.25 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( 20.141 1.008 13.395) 24.210 3.517 ( 15.390 22.277 3.846) 27.348 5.435 ( 31.811 22.731 -4.236) 39.327 6.987 ( -2.492 5.429 -3.335) 6.841 7.385 ( -2.596 0.428 -0.318) 2.651 8.603 ( 0.911 -2.367 -2.978) 3.912 8.919 ( -3.035 -14.327 5.261) 15.561 9.208 ( 1.394 -1.499 7.246) 7.530 10.194 ( -18.499 12.282 -18.621) 28.979 12.707 ( 1.681 3.520 -14.002) 14.536 13.687 ( 11.981 1.088 1.917) 12.182 14.402 ( -3.820 -4.796 -8.945) 10.845 15.169 ( 3.082 1.340 1.229) 3.579 15.518 ( -0.507 -2.732 17.573) 17.791 16.389 ( -2.764 -0.512 3.081) 4.171 ======================= Grid point 293 (51/234) ======================= q-point: ( 0.31 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 10.563 -5.003 11.345) 16.289 3.954 ( 11.090 17.499 1.985) 20.813 6.035 ( 16.668 8.911 2.044) 19.010 7.012 ( -0.243 4.752 -2.304) 5.287 7.468 ( 7.772 8.964 -10.422) 15.791 8.516 ( -0.331 -14.349 -3.254) 14.717 8.848 ( 1.572 1.038 3.200) 3.713 9.162 ( -9.300 6.596 8.979) 14.513 10.053 ( -8.765 7.537 -17.973) 21.370 12.765 ( 1.650 2.550 -10.245) 10.686 13.889 ( 9.804 0.490 1.233) 9.893 14.232 ( -7.690 -7.343 2.498) 10.922 15.224 ( 1.698 0.845 -0.830) 2.070 15.486 ( -1.130 -1.484 16.968) 17.070 16.382 ( 1.907 0.118 -4.025) 4.456 ======================= Grid point 294 (52/234) ======================= q-point: ( 0.38 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( 2.830 -10.876 9.248) 14.554 4.252 ( 4.850 13.303 -0.110) 14.160 6.225 ( 2.298 0.206 6.406) 6.809 7.080 ( 2.372 4.325 -1.036) 5.040 7.800 ( 15.910 10.154 -17.083) 25.457 8.376 ( 0.781 -12.061 -2.387) 12.320 8.893 ( -4.961 8.935 1.456) 10.323 9.056 ( -8.651 7.615 2.953) 11.898 10.035 ( -0.459 4.407 -9.241) 10.248 12.825 ( 2.420 2.485 -7.082) 7.886 13.989 ( -5.198 -6.483 3.836) 9.153 14.052 ( 2.886 -1.483 3.976) 5.132 15.241 ( -0.688 0.339 -1.150) 1.382 15.441 ( -2.121 -1.567 13.681) 13.933 16.447 ( 5.109 -0.061 -5.586) 7.570 ======================= Grid point 295 (53/234) ======================= q-point: ( 0.44 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -0.619 -13.756 5.375) 14.782 4.388 ( -2.836 9.812 -2.003) 10.408 6.200 ( -2.703 -2.188 3.740) 5.107 7.165 ( 2.695 2.805 1.466) 4.157 8.125 ( 11.490 1.747 -12.821) 17.304 8.327 ( 4.567 -5.109 -3.706) 7.791 8.818 ( -15.052 14.869 -1.902) 21.243 9.049 ( -0.774 3.384 -0.214) 3.478 10.116 ( 4.020 4.840 -1.066) 6.381 12.909 ( 4.201 3.015 -2.475) 5.733 13.781 ( -8.098 -5.394 4.759) 10.832 14.110 ( 3.123 -2.808 0.665) 4.252 15.200 ( -4.131 -0.043 0.212) 4.137 15.391 ( -1.482 -1.523 7.203) 7.510 16.543 ( 5.928 -0.870 -3.313) 6.846 ======================= Grid point 296 (54/234) ======================= q-point: (-0.50 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -0.905 -12.981 -0.699) 13.032 4.349 ( -10.926 6.457 -3.546) 13.178 6.104 ( -5.205 -2.863 -0.847) 6.001 7.223 ( 1.575 1.085 4.003) 4.437 8.242 ( 6.643 -4.120 -3.811) 8.697 8.389 ( 3.680 -4.117 -5.457) 7.764 8.720 ( -11.894 13.858 -4.015) 18.698 9.044 ( -4.272 3.341 -0.942) 5.505 10.264 ( 6.024 6.336 3.170) 9.300 13.038 ( 6.278 4.021 4.110) 8.513 13.619 ( -5.106 -2.627 -1.899) 6.048 14.095 ( 0.113 -5.794 -0.097) 5.796 15.107 ( -6.164 0.490 -0.906) 6.250 15.359 ( -0.898 -1.063 2.672) 3.013 16.626 ( 4.980 -1.993 0.446) 5.383 ======================= Grid point 297 (55/234) ======================= q-point: (-0.44 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -1.447 -10.328 -6.895) 12.502 4.136 ( -18.928 3.360 -4.792) 19.812 5.958 ( -8.045 -3.355 -5.683) 10.406 7.245 ( 0.255 0.471 6.218) 6.241 8.260 ( -4.746 -10.076 1.467) 11.235 8.361 ( 5.303 -3.040 -3.028) 6.821 8.712 ( -3.349 11.880 -4.343) 13.085 8.960 ( -8.136 1.996 -0.743) 8.410 10.440 ( 5.479 7.527 4.309) 10.259 13.166 ( 2.044 3.088 10.878) 11.491 13.588 ( 4.271 0.083 -11.948) 12.689 14.006 ( -1.941 -7.444 -0.429) 7.704 15.010 ( -6.118 2.248 -3.586) 7.439 15.334 ( -0.998 -0.556 1.474) 1.864 16.675 ( 3.443 -3.011 4.369) 6.326 ======================= Grid point 298 (56/234) ======================= q-point: (-0.38 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -5.100 -8.210 -9.498) 13.551 3.760 ( -26.377 1.508 -5.778) 27.044 5.735 ( -13.378 -5.153 -9.449) 17.170 7.249 ( -0.202 0.587 7.578) 7.603 7.943 ( -15.465 -11.309 6.974) 20.388 8.479 ( 8.798 -0.704 -3.773) 9.599 8.823 ( -8.588 1.576 -0.893) 8.777 8.832 ( 6.089 5.547 -2.840) 8.712 10.589 ( 1.939 8.128 3.960) 9.247 13.163 ( -3.479 1.428 8.309) 9.120 13.678 ( 5.045 -11.049 -13.597) 18.232 13.956 ( 2.884 3.947 -4.596) 6.710 14.948 ( -4.327 4.260 -3.086) 6.811 15.315 ( -0.797 0.201 2.271) 2.415 16.690 ( 2.283 -3.638 8.161) 9.223 ======================= Grid point 299 (57/234) ======================= q-point: (-0.31 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -11.621 -7.598 -5.882) 15.078 3.256 ( -32.484 1.976 -6.336) 33.155 5.333 ( -25.183 -9.967 -8.385) 28.352 7.249 ( -0.602 0.213 7.439) 7.467 7.580 ( -12.752 -7.123 6.438) 15.963 8.636 ( 6.662 0.238 -4.007) 7.777 8.732 ( -1.988 4.599 0.453) 5.031 9.012 ( 12.001 -2.375 -2.476) 12.482 10.665 ( -3.001 8.761 2.503) 9.593 13.110 ( -3.617 0.929 2.990) 4.784 13.528 ( -1.547 -18.458 -7.662) 20.045 14.116 ( 2.455 9.259 -21.006) 23.087 14.954 ( -0.479 4.962 2.564) 5.606 15.324 ( 1.301 1.885 5.248) 5.726 16.690 ( 2.288 -3.746 12.507) 13.255 ======================= Grid point 300 (58/234) ======================= q-point: (-0.25 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -18.310 -6.809 3.582) 19.861 2.680 ( -36.521 5.004 -5.709) 37.302 4.624 ( -40.468 -15.226 -0.881) 43.246 7.216 ( -1.951 -2.817 4.413) 5.587 7.407 ( -2.630 0.238 1.292) 2.940 8.665 ( -2.036 6.122 0.067) 6.452 8.893 ( 9.069 3.465 -0.868) 9.747 9.199 ( 16.999 -9.813 -2.281) 19.760 10.670 ( -6.678 9.793 -0.881) 11.886 13.047 ( -3.126 -3.096 -6.437) 7.797 13.306 ( -2.640 -15.939 -3.028) 16.437 14.159 ( -8.215 9.202 -32.650) 34.903 15.000 ( 0.238 2.687 5.307) 5.953 15.422 ( 6.174 4.328 9.392) 12.044 16.710 ( 4.654 -3.195 19.351) 20.158 ======================= Grid point 301 (59/234) ======================= q-point: (-0.19 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -22.412 -1.177 16.178) 27.666 2.093 ( -38.138 9.269 -1.904) 39.295 3.645 ( -51.178 -16.624 8.278) 54.443 7.139 ( -1.366 -5.769 -0.303) 5.937 7.455 ( 3.107 6.414 -2.588) 7.583 8.715 ( -1.708 8.876 0.110) 9.039 8.995 ( 4.779 -9.938 2.838) 11.387 9.461 ( 20.386 -2.628 -2.128) 20.665 10.646 ( -6.916 9.826 -6.882) 13.847 12.891 ( -3.195 -17.453 -22.431) 28.600 13.157 ( -3.595 -2.538 3.529) 5.640 14.030 ( -17.572 10.688 -36.853) 42.204 15.007 ( -1.299 0.936 5.304) 5.541 15.589 ( 6.694 3.838 7.767) 10.949 16.818 ( 11.632 -2.002 31.298) 33.449 ======================= Grid point 306 (60/234) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 19.746 12.907 14.588) 27.736 2.841 ( 25.001 26.245 -2.727) 36.350 4.416 ( 20.476 42.716 -0.138) 47.370 7.115 ( -4.011 5.899 -1.258) 7.244 7.452 ( 1.312 -3.795 2.493) 4.726 8.778 ( -7.536 -0.194 4.129) 8.596 8.903 ( 7.814 -1.455 -3.543) 8.702 9.087 ( -7.852 -18.246 0.600) 19.873 10.759 ( -3.230 4.701 -6.291) 8.492 12.789 ( -9.904 11.408 -21.169) 26.007 13.269 ( 8.939 0.909 4.837) 10.204 14.331 ( 8.994 1.596 -27.603) 29.075 15.052 ( 3.029 0.546 4.617) 5.549 15.512 ( 0.492 -7.405 11.940) 14.059 16.614 ( -8.428 -2.881 19.510) 21.447 ======================= Grid point 307 (61/234) ======================= q-point: ( 0.19 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 20.072 4.647 12.394) 24.044 3.477 ( 17.891 24.455 -0.824) 30.312 5.188 ( 24.672 28.911 -5.852) 38.455 7.113 ( -3.896 6.534 -0.163) 7.609 7.435 ( -1.306 1.745 2.006) 2.962 8.602 ( -6.881 -8.028 -0.588) 10.590 8.833 ( -1.291 -8.828 0.805) 8.958 9.091 ( 9.255 1.031 4.679) 10.422 10.647 ( -15.820 8.173 -11.866) 21.398 12.772 ( -3.879 7.989 -16.427) 18.674 13.466 ( 12.515 -0.208 4.974) 13.469 14.381 ( 0.055 -5.974 -13.887) 15.117 15.122 ( 3.768 1.031 1.754) 4.283 15.471 ( 1.690 -4.404 12.928) 13.762 16.467 ( -6.403 -0.471 8.979) 11.039 ======================= Grid point 308 (62/234) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 14.485 -5.288 11.073) 18.984 3.969 ( 11.460 22.231 0.306) 25.013 5.815 ( 20.240 14.181 -4.291) 25.084 7.097 ( -3.584 4.092 -0.581) 5.470 7.487 ( 1.591 9.695 -2.948) 10.258 8.404 ( -2.934 -12.271 -2.489) 12.860 8.821 ( 2.582 1.916 2.205) 3.899 9.252 ( 4.982 5.336 8.708) 11.363 10.413 ( -19.045 8.219 -17.357) 27.047 12.797 ( -1.405 5.595 -12.122) 13.425 13.685 ( 12.597 -0.887 4.364) 13.361 14.252 ( -4.489 -9.870 -0.721) 10.867 15.193 ( 2.895 1.033 -0.511) 3.116 15.470 ( 1.279 -1.932 12.609) 12.820 16.382 ( -2.587 -0.430 0.537) 2.677 ======================= Grid point 309 (63/234) ======================= q-point: ( 0.31 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 7.443 -14.787 10.501) 19.604 4.335 ( 5.762 19.982 0.244) 20.798 6.147 ( 8.061 2.501 3.012) 8.961 7.104 ( 0.082 4.056 -3.273) 5.212 7.687 ( 8.498 10.988 -9.583) 16.875 8.264 ( -0.567 -8.997 -2.673) 9.403 8.926 ( 4.190 5.652 1.811) 7.266 9.353 ( -4.795 12.486 8.512) 15.854 10.190 ( -12.515 5.164 -17.086) 21.800 12.834 ( -0.068 4.457 -8.539) 9.633 13.872 ( 9.698 -1.994 2.767) 10.280 14.055 ( -5.789 -9.725 6.878) 13.244 15.240 ( 1.377 0.842 -1.167) 1.992 15.458 ( -1.063 -1.299 12.368) 12.481 16.369 ( 2.109 -1.447 -4.537) 5.209 ======================= Grid point 310 (64/234) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 3.682 -20.148 9.124) 22.422 4.569 ( -1.184 17.673 -0.466) 17.719 6.202 ( 0.065 -2.381 4.908) 5.456 7.162 ( 1.391 3.390 -2.065) 4.206 7.956 ( 10.839 4.950 -11.291) 16.416 8.207 ( 2.556 -5.146 -2.846) 6.412 9.060 ( 2.800 7.790 0.136) 8.279 9.309 ( -16.723 16.558 0.806) 23.548 10.122 ( -0.284 3.735 -7.806) 8.658 12.889 ( 1.629 4.012 -3.950) 5.861 13.851 ( -6.351 -6.317 4.790) 10.158 13.991 ( 6.075 -4.824 4.047) 8.750 15.255 ( -1.033 1.201 -0.673) 1.721 15.408 ( -2.454 -1.670 9.594) 10.043 16.418 ( 5.496 -2.767 -5.024) 7.944 ======================= Grid point 311 (65/234) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 3.915 -19.679 5.387) 20.775 4.642 ( -9.425 14.630 -1.282) 17.450 6.146 ( -2.681 -3.166 1.891) 4.559 7.210 ( 1.166 1.532 0.283) 1.946 8.110 ( 5.403 -1.518 -3.961) 6.869 8.253 ( 6.074 -4.047 -5.650) 9.230 9.122 ( -10.899 6.491 -3.031) 13.042 9.185 ( -9.348 17.230 -3.375) 19.891 10.225 ( 5.564 5.561 -0.370) 7.875 12.983 ( 4.436 4.536 2.232) 6.726 13.691 ( -6.067 -3.440 1.364) 7.106 14.004 ( 2.401 -7.482 1.612) 8.021 15.221 ( -4.750 2.052 0.662) 5.217 15.360 ( -0.864 -1.489 4.138) 4.482 16.491 ( 6.401 -4.103 -2.404) 7.974 ======================= Grid point 313 (66/234) ======================= q-point: (-0.50 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 4.911 -14.470 -0.079) 15.281 4.534 ( -17.413 10.801 -2.061) 20.594 6.050 ( -5.203 -2.265 -2.679) 6.275 7.235 ( 0.918 0.036 2.329) 2.504 8.171 ( 4.002 -3.686 -0.193) 5.445 8.260 ( 1.615 -7.182 -2.892) 7.909 8.965 ( -12.075 7.244 -3.709) 14.561 9.187 ( -9.899 12.100 -3.246) 15.967 10.406 ( 7.274 7.040 1.017) 10.174 13.136 ( 6.169 5.885 8.946) 12.358 13.569 ( -3.740 -3.334 -5.765) 7.638 13.937 ( 0.088 -8.368 0.023) 8.368 15.148 ( -5.951 3.199 -1.008) 6.831 15.342 ( -0.377 -0.365 1.753) 1.830 16.551 ( 5.613 -5.197 1.149) 7.735 ======================= Grid point 314 (67/234) ======================= q-point: (-0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 2.414 -7.528 -3.924) 8.826 4.258 ( -24.145 7.539 -3.081) 25.482 5.905 ( -9.622 -1.493 -7.373) 12.213 7.246 ( 0.738 -0.679 4.224) 4.341 8.043 ( -8.582 -10.659 3.453) 14.113 8.303 ( 7.839 -2.846 -1.201) 8.426 8.862 ( -5.498 2.493 -0.742) 6.082 9.089 ( -13.044 10.534 -3.348) 17.097 10.603 ( 6.205 7.336 -0.553) 9.625 13.251 ( -1.835 5.599 11.789) 13.179 13.494 ( 2.396 -10.922 -12.047) 16.437 13.903 ( 3.931 -0.491 -1.245) 4.153 15.087 ( -5.402 4.613 -2.941) 7.688 15.335 ( -0.744 0.840 2.025) 2.315 16.581 ( 4.323 -5.851 4.596) 8.606 ======================= Grid point 315 (68/234) ======================= q-point: (-0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -5.054 -1.513 -2.490) 5.834 3.853 ( -29.455 6.211 -4.398) 30.423 5.651 ( -18.212 -2.553 -9.829) 20.852 7.249 ( 0.499 -1.083 5.496) 5.624 7.735 ( -13.281 -8.832 5.631) 16.914 8.438 ( 11.092 -3.086 -1.372) 11.595 8.808 ( -1.779 -0.651 2.922) 3.482 8.993 ( -7.847 8.191 -3.885) 11.990 10.752 ( 2.719 5.833 -2.649) 6.960 13.193 ( -5.550 -2.522 -1.241) 6.221 13.390 ( -1.124 -10.005 -3.165) 10.554 14.079 ( 9.744 6.483 -6.718) 13.494 15.055 ( -3.969 5.323 -1.749) 6.867 15.338 ( -0.327 2.286 4.114) 4.718 16.588 ( 3.431 -6.072 7.953) 10.577 ======================= Grid point 316 (69/234) ======================= q-point: (-0.31 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -14.537 3.668 4.791) 15.739 3.366 ( -33.172 6.950 -5.022) 34.262 5.172 ( -32.799 -4.735 -6.729) 33.815 7.222 ( -1.888 -3.444 4.364) 5.871 7.477 ( -6.898 -2.993 3.440) 8.268 8.639 ( 13.588 -0.469 -0.461) 13.604 8.807 ( 2.441 0.736 2.700) 3.713 8.968 ( -1.658 2.208 -2.220) 3.543 10.808 ( -0.940 1.910 -4.642) 5.107 13.018 ( -4.166 -14.085 -14.813) 20.861 13.300 ( -4.511 2.546 5.495) 7.552 14.281 ( 3.915 6.751 -17.885) 19.513 15.052 ( -2.140 4.245 2.319) 5.290 15.386 ( 2.628 4.071 8.656) 9.920 16.587 ( 3.791 -6.001 12.236) 14.146 ======================= Grid point 324 (70/234) ======================= q-point: ( 0.19 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 10.388 -0.881 6.115) 12.086 3.957 ( 16.678 22.781 -2.083) 28.310 5.660 ( 14.770 17.476 -8.403) 24.375 7.196 ( -3.753 1.633 2.638) 4.870 7.586 ( 0.034 12.139 2.122) 12.323 8.383 ( -6.971 -9.193 -1.068) 11.586 8.804 ( 1.551 2.021 1.719) 3.073 9.153 ( 11.215 5.235 2.797) 12.689 10.737 ( -9.835 0.538 -10.654) 14.509 12.960 ( -8.188 10.479 -13.685) 19.082 13.459 ( 11.168 -0.522 7.804) 13.635 14.193 ( -1.607 -11.842 -4.226) 12.676 15.142 ( 4.316 1.054 -0.975) 4.549 15.405 ( 3.238 -2.104 7.520) 8.453 16.463 ( -6.524 -0.092 5.444) 8.497 ======================= Grid point 325 (71/234) ======================= q-point: ( 0.25 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 6.160 -12.933 8.509) 16.661 4.416 ( 10.160 21.693 -0.052) 23.954 6.013 ( 10.937 5.690 -3.228) 12.744 7.154 ( -2.098 2.095 -2.065) 3.613 7.719 ( 1.480 11.384 -1.725) 11.608 8.221 ( -3.142 -5.912 -1.982) 6.982 8.904 ( 4.757 6.009 1.691) 7.849 9.421 ( 9.100 10.928 5.364) 15.199 10.506 ( -16.020 0.868 -15.054) 22.000 12.941 ( -5.150 8.601 -10.020) 14.174 13.652 ( 11.937 -2.790 8.178) 14.736 14.026 ( -3.216 -11.285 3.057) 12.126 15.214 ( 2.633 1.161 -1.283) 3.151 15.438 ( 1.941 -1.305 7.832) 8.174 16.366 ( -3.501 -1.241 -0.782) 3.796 ======================= Grid point 326 (72/234) ======================= q-point: ( 0.31 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 3.263 -21.144 11.040) 24.075 4.755 ( 3.470 21.101 0.424) 21.388 6.147 ( 3.220 -2.326 2.881) 4.907 7.175 ( 0.880 2.897 -4.813) 5.686 7.872 ( 5.184 6.981 -5.864) 10.488 8.142 ( -0.353 -3.871 -2.138) 4.436 9.071 ( 5.070 8.581 0.234) 9.969 9.653 ( -0.207 15.981 5.010) 16.749 10.244 ( -12.121 -0.032 -14.951) 19.247 12.950 ( -2.734 6.869 -4.849) 8.841 13.798 ( 9.276 -6.278 8.712) 14.189 13.871 ( -3.524 -6.691 2.919) 8.107 15.261 ( 1.390 1.233 -0.583) 1.948 15.433 ( -1.271 -1.263 8.379) 8.568 16.324 ( 1.171 -2.901 -4.797) 5.727 ======================= Grid point 327 (73/234) ======================= q-point: ( 0.38 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 4.834 -22.499 11.416) 25.689 4.950 ( -5.204 19.320 0.230) 20.010 6.126 ( 0.057 -5.175 3.497) 6.245 7.214 ( 0.471 1.803 -3.541) 4.002 8.016 ( 5.211 1.559 -5.105) 7.460 8.130 ( 3.022 -3.234 -3.036) 5.368 9.223 ( 1.208 8.107 -2.184) 8.483 9.661 ( -16.468 16.465 -3.242) 23.512 10.178 ( 3.722 1.830 -5.363) 6.780 12.992 ( 0.347 6.114 1.804) 6.385 13.747 ( -3.994 -3.847 2.665) 6.153 13.860 ( 4.942 -7.787 4.018) 10.061 15.290 ( -0.161 2.128 0.386) 2.169 15.376 ( -3.006 -1.457 6.358) 7.182 16.342 ( 4.807 -4.427 -4.907) 8.173 ======================= Grid point 328 (74/234) ======================= q-point: (-0.56 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 9.042 -16.709 8.438) 20.788 4.948 ( -14.678 14.566 0.126) 20.679 6.075 ( -0.564 -3.545 0.684) 3.654 7.227 ( -0.049 0.260 -2.107) 2.124 8.083 ( 3.029 -1.299 -0.902) 3.417 8.151 ( 3.017 -5.453 -3.624) 7.209 9.213 ( -9.422 3.480 -2.824) 10.433 9.551 ( -13.522 16.557 -6.272) 22.278 10.323 ( 8.135 3.469 -1.638) 8.994 13.099 ( 4.558 6.762 7.921) 11.369 13.623 ( -6.014 -4.390 -1.706) 7.639 13.840 ( 2.192 -6.912 1.639) 7.434 15.272 ( -4.697 2.327 1.806) 5.544 15.340 ( 0.354 0.084 2.148) 2.178 16.389 ( 5.958 -5.510 -2.508) 8.494 ======================= Grid point 329 (75/234) ======================= q-point: (-0.50 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 10.595 -6.845 4.150) 13.279 4.743 ( -21.438 8.572 -0.185) 23.089 6.024 ( -3.925 0.079 -3.393) 5.189 7.222 ( 0.182 -1.239 -0.713) 1.441 8.047 ( -3.275 -7.662 0.792) 8.370 8.167 ( 4.740 -2.334 -1.407) 5.468 9.039 ( -11.297 1.728 -1.097) 11.481 9.463 ( -14.828 12.745 -3.932) 19.944 10.511 ( 9.492 2.239 -4.306) 10.661 13.272 ( 6.691 5.147 9.347) 12.595 13.439 ( -7.544 -7.131 -3.282) 10.887 13.833 ( 2.815 -1.197 -0.741) 3.148 15.212 ( -4.440 2.433 -0.680) 5.108 15.357 ( -0.107 2.065 2.343) 3.125 16.432 ( 5.410 -5.991 0.378) 8.081 ======================= Grid point 330 (76/234) ======================= q-point: (-0.44 0.19 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 5.676 2.528 2.662) 6.760 4.392 ( -25.456 4.522 -1.151) 25.881 5.913 ( -11.018 2.638 -7.172) 13.409 7.212 ( 0.896 -2.536 1.198) 2.945 7.848 ( -9.432 -8.176 2.506) 12.732 8.247 ( 7.079 -2.404 -0.991) 7.541 8.885 ( -7.318 0.757 1.068) 7.434 9.299 ( -15.083 8.909 -0.449) 17.523 10.675 ( 8.063 -1.682 -8.020) 11.496 13.189 ( -5.022 -14.627 -11.062) 19.014 13.426 ( -1.446 9.598 11.739) 15.232 13.953 ( 9.450 3.895 -0.669) 10.243 15.169 ( -3.681 3.054 -2.055) 5.206 15.376 ( -0.625 3.132 3.957) 5.085 16.456 ( 4.255 -5.929 2.953) 7.873 ======================= Grid point 341 (77/234) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -2.916 -15.649 9.148) 18.360 4.837 ( 11.395 19.395 0.794) 22.509 6.063 ( 4.009 -0.307 -1.317) 4.231 7.194 ( -0.420 1.855 -3.877) 4.318 7.914 ( -1.121 7.666 -0.891) 7.799 8.136 ( -2.697 -3.120 -1.507) 4.391 9.062 ( 6.219 9.343 -0.065) 11.223 9.657 ( 13.062 11.053 0.262) 17.113 10.459 ( -11.853 -5.015 -10.980) 16.917 13.129 ( -7.998 8.894 -4.997) 12.963 13.555 ( 10.296 -6.078 11.979) 16.925 13.848 ( -1.358 -5.570 0.076) 5.734 15.244 ( 2.237 1.806 -0.540) 2.925 15.411 ( 1.987 -1.480 4.969) 5.552 16.332 ( -4.820 -2.009 -2.113) 5.634 ======================= Grid point 342 (78/234) ======================= q-point: ( 0.31 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -0.778 -19.329 14.642) 24.261 5.175 ( 3.682 19.883 1.245) 20.260 6.054 ( 0.215 -6.872 2.537) 7.328 7.222 ( 0.753 1.723 -5.568) 5.877 7.977 ( 1.733 3.624 -3.202) 5.137 8.082 ( -0.393 -2.384 -1.719) 2.965 9.263 ( 4.577 9.842 -2.422) 11.122 9.945 ( 4.930 11.404 0.402) 12.431 10.200 ( -10.350 -3.592 -11.185) 15.657 13.099 ( -4.391 7.065 2.971) 8.833 13.653 ( 7.822 -5.834 7.806) 12.496 13.778 ( -2.023 -3.961 -0.232) 4.454 15.292 ( 1.385 1.869 0.934) 2.506 15.405 ( -1.043 -1.485 5.713) 5.994 16.259 ( -0.300 -3.198 -5.483) 6.354 ======================= Grid point 343 (79/234) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 6.700 -15.065 16.145) 23.076 5.325 ( -9.349 16.710 1.326) 19.194 5.992 ( 3.147 -7.805 2.571) 8.799 7.238 ( -0.352 0.682 -5.046) 5.104 8.035 ( 2.150 0.529 -2.272) 3.172 8.066 ( 1.243 -2.887 -2.414) 3.963 9.371 ( -3.171 5.779 -4.170) 7.800 9.926 ( -12.592 9.283 -6.514) 16.946 10.200 ( 7.573 0.117 -3.423) 8.311 13.128 ( -0.066 6.558 9.289) 11.371 13.672 ( -4.735 -5.608 -0.733) 7.376 13.720 ( 5.162 -3.145 2.797) 6.661 15.334 ( 1.134 1.603 2.245) 2.983 15.354 ( -3.097 -0.314 4.141) 5.181 16.254 ( 3.413 -3.856 -5.603) 7.610 ======================= Grid point 345 (80/234) ======================= q-point: (-0.56 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 14.179 -4.801 12.980) 19.813 5.179 ( -19.243 6.619 1.440) 20.401 6.022 ( 3.956 -0.959 0.690) 4.129 7.226 ( -1.235 -0.226 -4.655) 4.821 8.026 ( -1.550 -4.008 -1.191) 4.459 8.083 ( 2.976 -0.928 -1.832) 3.616 9.261 ( -11.396 1.214 -2.656) 11.764 9.827 ( -12.190 10.338 -4.942) 16.729 10.333 ( 9.487 -3.187 -5.637) 11.486 13.207 ( 2.705 0.532 8.996) 9.409 13.526 ( -5.630 -0.819 1.265) 5.829 13.775 ( 3.309 -0.418 -0.086) 3.336 15.290 ( -3.192 0.015 1.561) 3.553 15.377 ( 0.748 2.523 3.373) 4.278 16.289 ( 4.679 -3.806 -3.892) 7.178 ======================= Grid point 359 (81/234) ======================= q-point: ( 0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -3.934 -7.771 19.297) 21.171 5.539 ( 8.311 14.869 2.026) 17.155 5.875 ( -5.239 -10.014 2.348) 11.543 7.245 ( 0.361 0.597 -5.821) 5.863 8.025 ( -0.244 1.251 -2.276) 2.609 8.043 ( -0.389 -1.401 -1.789) 2.305 9.432 ( 3.015 5.384 -5.022) 7.956 10.070 ( 8.021 1.593 -5.181) 9.681 10.149 ( -7.697 -0.929 -5.149) 9.307 13.195 ( -0.409 1.753 12.504) 12.633 13.610 ( 3.368 1.862 0.424) 3.872 13.697 ( -2.885 -3.915 -0.319) 4.874 15.334 ( 0.879 2.072 2.865) 3.643 15.373 ( -0.286 -1.619 4.088) 4.407 16.206 ( -1.290 -1.656 -6.499) 6.829 ======================= Grid point 542 (82/234) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 0.000 29.044) 29.044 1.384 ( 0.000 -0.000 29.044) 29.044 2.305 ( -0.000 0.000 50.281) 50.281 6.990 ( -0.000 0.000 -3.930) 3.930 6.990 ( 0.000 -0.000 -3.930) 3.930 8.605 ( 0.000 0.000 -4.993) 4.993 8.605 ( 0.000 -0.000 -4.993) 4.993 10.080 ( 0.000 0.000 3.383) 3.383 10.080 ( 0.000 -0.000 3.383) 3.383 11.508 ( 0.000 0.000 -26.078) 26.078 12.977 ( 0.000 0.000 0.312) 0.312 12.977 ( 0.000 -0.000 0.312) 0.312 15.046 ( 0.000 0.000 3.169) 3.169 15.749 ( 0.000 0.000 2.246) 2.246 18.667 ( 0.000 0.000 5.032) 5.032 ======================= Grid point 543 (83/234) ======================= q-point: ( 0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 20.829 12.026 23.918) 33.920 1.707 ( 18.038 10.414 23.830) 31.649 2.484 ( 15.416 8.900 41.992) 45.609 6.930 ( -2.278 -1.315 -4.382) 5.111 7.370 ( 19.193 11.081 -13.728) 26.070 8.542 ( -2.752 -1.589 -4.321) 5.364 8.860 ( 9.315 5.378 2.420) 11.025 10.080 ( -3.250 -1.876 2.714) 4.631 10.142 ( 12.318 7.112 -13.433) 19.564 11.504 ( -1.731 -1.000 -31.094) 31.158 13.032 ( 4.804 2.774 0.472) 5.567 13.164 ( 14.911 8.609 -4.993) 17.928 15.065 ( 1.507 0.870 3.562) 3.964 15.760 ( 0.915 0.528 2.439) 2.658 18.305 ( -25.645 -14.806 18.190) 34.753 ======================= Grid point 544 (84/234) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 23.655 13.657 17.534) 32.457 2.187 ( 22.318 12.885 16.587) 30.647 3.053 ( 32.802 18.938 22.925) 44.274 6.883 ( -1.661 -0.959 -4.053) 4.484 7.659 ( 5.154 2.975 -9.181) 10.941 8.490 ( -1.410 -0.814 -3.225) 3.612 8.958 ( 3.503 2.022 8.061) 9.019 9.936 ( -8.697 -5.021 1.313) 10.128 10.364 ( -1.834 -1.059 -13.822) 13.983 11.574 ( 11.197 6.465 -39.006) 41.093 13.190 ( 8.388 4.843 0.783) 9.718 13.556 ( 16.403 9.470 -14.673) 23.959 15.110 ( 2.260 1.305 4.073) 4.837 15.778 ( 0.242 0.140 2.726) 2.741 17.682 ( -25.350 -14.636 27.427) 40.113 ======================= Grid point 545 (85/234) ======================= q-point: ( 0.19 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 19.501 11.259 12.325) 25.670 2.726 ( 23.191 13.389 9.969) 28.574 3.934 ( 40.254 23.241 6.625) 46.951 6.856 ( -0.526 -0.304 -2.661) 2.730 7.649 ( -4.624 -2.670 -0.521) 5.365 8.483 ( 0.782 0.452 -2.588) 2.741 9.118 ( 9.666 5.581 4.745) 12.128 9.691 ( -11.721 -6.767 0.294) 13.538 10.072 ( -19.112 -11.035 -11.542) 24.905 11.942 ( 16.682 9.631 -29.636) 35.346 13.408 ( 9.859 5.692 0.882) 11.418 13.890 ( 11.984 6.919 -18.110) 22.792 15.169 ( 2.632 1.520 4.329) 5.290 15.761 ( -1.639 -0.946 1.990) 2.746 17.156 ( -19.387 -11.193 26.220) 34.476 ======================= Grid point 546 (86/234) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 15.110 8.724 6.424) 18.593 3.251 ( 21.238 12.261 4.403) 24.915 4.866 ( 38.380 22.159 -2.957) 44.416 6.865 ( 1.427 0.824 -0.316) 1.677 7.500 ( -7.252 -4.187 3.484) 9.070 8.522 ( 2.265 1.308 -2.982) 3.967 9.342 ( 5.898 3.405 11.508) 13.373 9.409 ( -11.861 -6.848 0.426) 13.702 9.608 ( -16.347 -9.438 -20.125) 27.592 12.276 ( 11.394 6.578 -18.059) 22.343 13.638 ( 9.590 5.537 0.683) 11.094 14.120 ( 7.753 4.476 -14.799) 17.297 15.224 ( 1.781 1.028 4.517) 4.963 15.714 ( -1.897 -1.096 -0.433) 2.233 16.773 ( -13.434 -7.756 21.546) 26.549 ======================= Grid point 547 (87/234) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 8.550 4.936 2.575) 10.203 3.701 ( 16.734 9.661 0.012) 19.323 5.691 ( 31.066 17.936 -6.833) 36.516 6.926 ( 3.796 2.191 2.281) 4.941 7.341 ( -5.492 -3.171 2.559) 6.838 8.568 ( 1.034 0.597 -4.218) 4.384 9.076 ( -17.200 -9.931 -4.288) 20.319 9.163 ( -8.447 -4.877 1.765) 9.913 9.647 ( 8.755 5.055 -4.481) 11.058 12.482 ( 6.725 3.882 -10.969) 13.439 13.848 ( 8.111 4.683 0.314) 9.371 14.244 ( 2.412 1.393 -6.193) 6.791 15.234 ( -1.035 -0.598 2.355) 2.641 15.701 ( 1.043 0.602 -1.012) 1.573 16.521 ( -8.154 -4.708 14.940) 17.659 ======================= Grid point 548 (88/234) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 0.542 0.313 1.291) 1.435 4.022 ( 10.551 6.091 -3.012) 12.550 6.248 ( 14.430 8.331 -1.022) 16.693 7.038 ( 5.533 3.195 4.202) 7.647 7.315 ( 5.423 3.131 -7.548) 9.807 8.544 ( -3.034 -1.752 -3.987) 5.308 8.730 ( -11.973 -6.912 -7.949) 15.947 9.039 ( -2.249 -1.298 2.125) 3.355 9.844 ( 7.904 4.563 -0.227) 9.129 12.620 ( 5.664 3.270 -6.554) 9.259 14.012 ( 5.794 3.345 -0.060) 6.690 14.216 ( -4.872 -2.813 2.804) 6.286 15.192 ( -2.101 -1.213 -3.130) 3.961 15.735 ( 0.619 0.357 5.979) 6.022 16.398 ( -1.897 -1.095 4.882) 5.351 ======================= Grid point 549 (89/234) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -6.558 -3.786 1.416) 7.704 4.190 ( 3.791 2.189 -4.670) 6.401 6.356 ( -2.840 -1.640 6.015) 6.850 7.173 ( 5.711 3.297 5.060) 8.312 7.603 ( 16.574 9.569 -17.889) 26.197 8.458 ( -3.443 -1.988 -1.570) 4.275 8.515 ( -6.543 -3.777 -8.313) 11.233 9.023 ( -0.025 -0.014 0.517) 0.517 10.020 ( 7.219 4.168 0.456) 8.348 12.771 ( 7.662 4.424 -2.291) 9.139 14.033 ( -10.136 -5.852 6.660) 13.467 14.115 ( 2.903 1.676 -0.329) 3.369 15.142 ( -2.323 -1.341 -6.166) 6.725 15.685 ( -4.853 -2.802 12.568) 13.761 16.440 ( 4.910 2.835 -2.985) 6.407 ======================= Grid point 550 (90/234) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( -10.555 -6.094 0.908) 12.222 4.199 ( -3.093 -1.786 -5.288) 6.382 6.215 ( -8.140 -4.700 4.201) 10.296 7.292 ( 4.275 2.468 5.443) 7.348 7.973 ( 13.560 7.829 -16.253) 22.568 8.409 ( -3.029 -1.749 -8.524) 9.214 8.412 ( -0.164 -0.095 -0.328) 0.379 9.010 ( -1.399 -0.808 -0.462) 1.680 10.184 ( 6.850 3.955 -0.991) 7.971 12.987 ( 10.710 6.184 2.258) 12.572 13.773 ( -11.417 -6.592 6.236) 14.584 14.145 ( -0.297 -0.171 -0.450) 0.566 15.069 ( -4.168 -2.406 -6.036) 7.720 15.543 ( -6.360 -3.672 10.485) 12.801 16.585 ( 6.702 3.869 -2.623) 8.171 ======================= Grid point 552 (91/234) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -11.100 -6.409 -1.242) 12.877 4.045 ( -10.091 -5.826 -5.166) 12.745 5.994 ( -10.656 -6.152 0.073) 12.305 7.368 ( 2.184 1.261 6.137) 6.635 8.214 ( 7.381 4.261 -8.745) 12.211 8.339 ( -3.929 -2.268 -8.887) 9.978 8.456 ( 3.749 2.164 -1.861) 4.712 8.956 ( -2.954 -1.705 0.080) 3.411 10.342 ( 6.611 3.817 -3.349) 8.336 13.256 ( 11.360 6.559 2.820) 13.417 13.519 ( -9.879 -5.703 5.643) 12.726 14.101 ( -3.475 -2.006 -0.414) 4.034 14.952 ( -5.195 -2.999 -4.338) 7.402 15.419 ( -3.946 -2.278 5.333) 7.015 16.732 ( 5.584 3.224 0.735) 6.489 ======================= Grid point 553 (92/234) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( -9.363 -5.406 -3.286) 11.300 3.729 ( -16.733 -9.661 -4.271) 19.788 5.714 ( -13.447 -7.764 -4.482) 16.161 7.400 ( 0.642 0.371 6.767) 6.808 8.168 ( -10.578 -6.107 -4.302) 12.950 8.370 ( 6.320 3.649 -3.683) 8.175 8.557 ( 3.667 2.117 -6.459) 7.723 8.902 ( -0.304 -0.175 2.911) 2.932 10.487 ( 5.418 3.128 -4.663) 7.803 13.290 ( -8.111 -4.683 -6.563) 11.437 13.494 ( 6.141 3.545 6.475) 9.602 13.986 ( -6.246 -3.606 -0.218) 7.215 14.878 ( -0.023 -0.014 -0.684) 0.685 15.356 ( -1.480 -0.855 2.149) 2.746 16.846 ( 4.294 2.479 4.815) 6.912 ======================= Grid point 554 (93/234) ======================= q-point: (-0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -7.062 -4.077 -1.112) 8.230 3.272 ( -21.910 -12.650 -2.289) 25.403 5.349 ( -18.224 -10.522 -8.329) 22.632 7.399 ( -0.732 -0.423 6.188) 6.245 7.858 ( -14.786 -8.537 1.449) 17.135 8.542 ( 8.548 4.935 -0.836) 9.906 8.578 ( -1.355 -0.782 -7.375) 7.539 8.996 ( 7.872 4.545 2.620) 9.460 10.577 ( 1.877 1.083 -4.056) 4.598 13.097 ( -8.701 -5.024 -11.565) 15.320 13.547 ( -1.266 -0.731 -5.977) 6.153 13.814 ( -8.257 -4.767 0.118) 9.535 14.962 ( 6.084 3.512 5.535) 8.943 15.353 ( 1.568 0.905 1.347) 2.257 16.945 ( 4.528 2.614 9.610) 10.940 ======================= Grid point 555 (94/234) ======================= q-point: (-0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -5.766 -3.329 8.205) 10.567 2.723 ( -24.477 -14.132 1.283) 28.293 4.834 ( -26.157 -15.102 -8.354) 31.337 7.359 ( -2.769 -1.599 3.926) 5.063 7.534 ( -11.776 -6.799 3.304) 13.993 8.551 ( -0.170 -0.098 -4.553) 4.557 8.774 ( 11.229 6.483 0.896) 12.997 9.220 ( 10.560 6.097 -0.026) 12.193 10.560 ( -3.521 -2.033 -3.071) 5.095 12.856 ( -12.334 -7.121 -24.917) 28.700 13.480 ( -3.647 -2.106 -9.962) 10.816 13.607 ( -9.276 -5.356 0.503) 10.723 15.083 ( 3.175 1.833 6.864) 7.782 15.449 ( 6.398 3.694 2.731) 7.877 17.081 ( 7.639 4.410 15.701) 18.009 ======================= Grid point 556 (95/234) ======================= q-point: (-0.19 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -23.576 -13.611 7.179) 28.153 2.163 ( -6.038 -3.486 22.325) 23.389 4.121 ( -34.251 -19.775 -1.790) 39.590 7.273 ( -4.391 -2.535 1.005) 5.169 7.334 ( -5.348 -3.088 -0.876) 6.237 8.576 ( 2.006 1.158 -3.056) 3.834 9.059 ( 12.673 7.317 3.397) 15.023 9.474 ( 10.913 6.301 -0.552) 12.614 10.403 ( -10.103 -5.833 -5.644) 12.960 12.514 ( -16.695 -9.639 -40.690) 45.026 13.386 ( -4.583 -2.646 -7.371) 9.074 13.388 ( -9.168 -5.293 0.771) 10.615 15.115 ( 0.090 0.052 5.672) 5.673 15.606 ( 6.026 3.479 3.176) 7.649 17.328 ( 13.946 8.052 22.441) 27.622 ======================= Grid point 557 (96/234) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -18.062 -10.428 16.073) 26.331 2.005 ( -7.849 -4.531 33.647) 34.846 3.275 ( -36.416 -21.025 11.529) 43.602 7.166 ( -4.539 -2.621 -1.344) 5.411 7.259 ( -2.040 -1.178 -7.855) 8.200 8.625 ( 1.688 0.975 -3.498) 4.005 9.298 ( 3.543 2.045 8.933) 9.825 9.725 ( 10.344 5.972 0.777) 11.969 10.110 ( -12.078 -6.973 -17.464) 22.349 12.090 ( -19.056 -11.002 -47.021) 51.915 13.187 ( -7.764 -4.483 0.760) 8.997 13.255 ( -6.658 -3.844 -4.019) 8.675 15.100 ( -1.258 -0.726 4.681) 4.901 15.711 ( 2.934 1.694 2.678) 4.319 17.746 ( 21.789 12.580 25.881) 36.095 ======================= Grid point 558 (97/234) ======================= q-point: (-0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -6.301 -3.638 25.990) 26.989 1.749 ( -15.513 -8.956 31.005) 35.808 2.542 ( -22.234 -12.837 35.825) 44.074 7.068 ( -3.767 -2.175 -2.927) 5.242 7.169 ( -7.686 -4.437 -12.510) 15.338 8.641 ( -0.447 -0.258 -4.620) 4.648 8.970 ( -26.905 -15.534 -3.366) 31.250 9.945 ( 8.037 4.640 2.585) 9.633 10.057 ( 4.855 2.803 -8.784) 10.420 11.671 ( -14.623 -8.443 -35.323) 39.152 13.037 ( -4.773 -2.756 0.501) 5.535 13.085 ( -7.283 -4.205 -1.438) 8.532 15.065 ( -1.440 -0.831 3.652) 4.012 15.748 ( 0.448 0.259 2.388) 2.443 18.315 ( 24.470 14.128 17.942) 33.470 ======================= Grid point 560 (98/234) ======================= q-point: ( 0.06 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 27.616 13.031 15.898) 34.427 2.007 ( 11.842 11.556 30.777) 34.943 2.965 ( 11.664 36.178 21.030) 43.441 6.982 ( -7.084 5.002 -4.043) 9.568 7.447 ( 14.855 -1.522 -9.049) 17.460 8.634 ( -2.048 4.834 -6.135) 8.075 9.036 ( -12.721 9.031 9.600) 18.318 9.833 ( -0.845 -19.653 0.359) 19.675 10.288 ( 18.392 8.258 -16.401) 25.990 11.734 ( -10.667 20.196 -40.318) 46.338 13.111 ( 4.294 4.607 0.901) 6.362 13.369 ( 15.995 10.443 -9.047) 21.137 15.094 ( 1.228 1.678 4.169) 4.659 15.751 ( 1.333 -1.774 2.658) 3.462 17.867 ( -16.140 -24.173 25.807) 38.870 ======================= Grid point 561 (99/234) ======================= q-point: ( 0.12 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 18.471 8.508 21.111) 29.313 2.419 ( 28.864 15.111 9.029) 33.808 3.655 ( 24.058 35.872 8.255) 43.974 6.933 ( -4.742 5.631 -2.837) 7.889 7.585 ( 5.663 -6.258 -2.928) 8.933 8.631 ( -8.539 9.922 -4.564) 13.863 8.985 ( 5.605 -0.275 7.595) 9.443 9.565 ( -2.939 -25.110 -0.090) 25.282 10.449 ( -10.961 7.231 -10.343) 16.716 11.868 ( 4.283 18.775 -35.768) 40.623 13.277 ( 9.344 3.627 1.201) 10.095 13.741 ( 14.039 8.483 -16.259) 23.096 15.140 ( 2.167 1.374 4.433) 5.122 15.745 ( 0.733 -3.420 2.671) 4.401 17.354 ( -17.789 -16.050 26.583) 35.787 ======================= Grid point 562 (100/234) ======================= q-point: ( 0.19 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 19.524 4.735 13.124) 23.996 3.041 ( 22.179 18.178 3.361) 28.873 4.486 ( 31.821 28.650 -1.567) 42.847 6.929 ( -3.274 7.420 -0.861) 8.156 7.547 ( -2.529 -5.164 1.988) 6.084 8.575 ( -5.603 5.867 -1.558) 8.261 9.157 ( 11.188 -9.147 -1.351) 14.515 9.265 ( -1.141 -15.931 5.781) 16.986 10.168 ( -27.357 10.308 -12.589) 31.830 12.170 ( 9.694 11.989 -22.919) 27.622 13.495 ( 11.166 3.055 1.325) 11.652 14.020 ( 9.638 5.696 -16.392) 19.850 15.194 ( 2.514 0.797 4.543) 5.253 15.708 ( -0.302 -4.161 1.315) 4.374 16.934 ( -14.814 -10.138 22.815) 29.030 ======================= Grid point 563 (101/234) ======================= q-point: ( 0.25 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( 15.427 0.708 6.037) 16.581 3.560 ( 15.959 17.884 0.765) 23.981 5.308 ( 32.485 20.027 -7.379) 38.869 6.967 ( -1.812 8.482 1.385) 8.783 7.425 ( -6.104 -1.986 3.603) 7.361 8.541 ( -1.553 -2.748 -2.939) 4.313 8.961 ( -0.957 -17.205 -1.424) 17.291 9.403 ( 6.280 1.979 11.252) 13.037 9.801 ( -23.941 12.482 -17.972) 32.434 12.412 ( 6.881 6.790 -13.759) 16.816 13.717 ( 10.605 2.462 1.045) 10.937 14.196 ( 5.376 2.615 -10.127) 11.760 15.231 ( 0.980 -0.407 3.908) 4.049 15.672 ( 1.025 -2.752 -0.812) 3.047 16.628 ( -10.556 -6.514 17.322) 21.305 ======================= Grid point 564 (102/234) ======================= q-point: ( 0.31 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 8.276 -4.610 2.695) 9.850 3.959 ( 9.817 15.717 -1.338) 18.580 5.987 ( 25.202 10.938 -6.393) 28.207 7.018 ( -0.285 4.301 2.909) 5.200 7.349 ( -2.466 5.746 -0.729) 6.295 8.434 ( -0.463 -13.146 -4.404) 13.871 8.874 ( -0.506 0.170 -1.328) 1.431 9.297 ( -19.843 8.430 1.397) 21.604 9.762 ( 5.155 5.644 -6.594) 10.095 12.566 ( 4.832 4.603 -8.438) 10.758 13.906 ( 8.450 1.170 0.446) 8.543 14.248 ( -0.625 -1.221 -0.504) 1.461 15.217 ( -1.422 -0.795 -0.192) 1.640 15.697 ( 3.173 -1.032 1.814) 3.798 16.431 ( -5.350 -4.383 9.510) 11.759 ======================= Grid point 565 (103/234) ======================= q-point: ( 0.38 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 0.941 -9.864 2.473) 10.213 4.218 ( 2.825 13.219 -3.065) 13.860 6.333 ( 6.158 0.853 3.208) 6.996 7.080 ( 5.846 0.977 0.647) 5.963 7.494 ( 7.767 12.440 -10.340) 17.944 8.309 ( 1.350 -11.528 -3.847) 12.228 8.856 ( -10.454 10.741 -5.068) 15.822 9.083 ( -9.430 4.723 -0.083) 10.547 9.932 ( 7.587 4.143 -1.019) 8.705 12.701 ( 5.682 5.006 -4.260) 8.689 14.016 ( 3.555 -3.409 0.274) 4.933 14.163 ( -5.122 -1.844 5.699) 7.881 15.181 ( -2.263 0.327 -4.548) 5.090 15.710 ( -0.928 -2.686 9.960) 10.357 16.371 ( 2.686 -1.924 -0.591) 3.356 ======================= Grid point 566 (104/234) ======================= q-point: ( 0.44 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -4.282 -12.776 2.962) 13.797 4.322 ( -4.814 10.663 -4.147) 12.412 6.295 ( -5.605 -3.988 5.500) 8.807 7.212 ( 6.699 0.792 2.542) 7.208 7.812 ( 13.369 9.436 -15.509) 22.545 8.256 ( 3.285 -7.192 -3.574) 8.677 8.732 ( -15.651 14.073 -5.524) 21.760 9.043 ( -1.618 1.965 -0.354) 2.570 10.103 ( 7.134 4.069 -1.031) 8.277 12.883 ( 8.467 6.734 0.433) 10.827 13.884 ( -8.649 -7.766 5.188) 12.729 14.131 ( 0.449 -0.976 1.675) 1.989 15.137 ( -3.858 1.007 -5.797) 7.035 15.606 ( -5.525 -4.693 11.991) 14.012 16.467 ( 8.309 -0.402 -3.911) 9.192 ======================= Grid point 567 (105/234) ======================= q-point: (-0.50 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -6.642 -12.202 1.978) 14.033 4.263 ( -12.597 7.760 -4.564) 15.484 6.112 ( -9.266 -5.292 1.958) 10.849 7.315 ( 4.603 -0.198 4.445) 6.402 8.092 ( 10.328 3.662 -10.869) 15.434 8.263 ( 3.549 -5.112 -5.609) 8.378 8.633 ( -10.802 13.063 -4.146) 17.451 9.020 ( -3.674 2.077 -1.090) 4.359 10.266 ( 6.751 3.988 -3.254) 8.489 13.132 ( 10.813 8.088 4.120) 14.117 13.641 ( -10.190 -6.058 5.000) 12.866 14.097 ( -1.118 -5.019 0.452) 5.162 15.056 ( -6.661 1.384 -4.774) 8.312 15.465 ( -4.685 -3.721 7.609) 9.680 16.616 ( 8.726 -0.843 -1.433) 8.883 ======================= Grid point 568 (106/234) ======================= q-point: (-0.44 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -6.923 -8.531 -0.323) 10.991 4.038 ( -20.110 4.700 -4.383) 21.111 5.868 ( -12.029 -6.066 -2.616) 13.724 7.372 ( 2.636 -0.754 5.655) 6.284 8.216 ( -2.770 -7.095 -4.953) 9.085 8.267 ( 7.634 0.500 -5.850) 9.631 8.628 ( -4.056 11.541 -4.008) 12.873 8.956 ( -5.321 1.643 0.446) 5.587 10.422 ( 6.366 3.908 -5.721) 9.409 13.354 ( 0.638 -0.598 -9.779) 9.818 13.453 ( -1.356 2.339 16.196) 16.420 13.999 ( -2.116 -7.333 -0.187) 7.634 14.957 ( -6.131 3.341 -2.688) 7.481 15.379 ( -2.265 -1.448 3.222) 4.196 16.745 ( 7.445 -1.782 2.427) 8.031 ======================= Grid point 569 (107/234) ======================= q-point: (-0.38 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -6.639 -3.209 -0.768) 7.414 3.660 ( -26.628 2.335 -3.515) 26.960 5.559 ( -15.916 -7.253 -7.093) 18.874 7.395 ( 0.888 -0.894 6.017) 6.147 8.001 ( -11.151 -9.480 -1.006) 14.671 8.409 ( 8.136 0.337 -3.214) 8.755 8.689 ( -3.162 9.954 -5.955) 12.023 8.910 ( 1.105 0.077 4.250) 4.392 10.556 ( 4.154 3.565 -6.674) 8.631 13.185 ( -8.072 -6.775 -10.587) 14.938 13.519 ( -0.251 -1.951 4.864) 5.247 13.911 ( -2.803 -0.892 -0.691) 3.022 14.950 ( 0.341 6.133 2.051) 6.476 15.352 ( -0.284 0.640 1.406) 1.571 16.847 ( 6.743 -2.265 6.842) 9.870 ======================= Grid point 570 (108/234) ======================= q-point: (-0.31 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -7.170 1.716 4.669) 8.727 3.168 ( -31.143 1.748 -1.712) 31.239 5.141 ( -22.729 -9.541 -9.491) 26.414 7.380 ( -1.389 -1.796 4.750) 5.265 7.681 ( -13.131 -8.313 3.006) 15.829 8.546 ( 5.414 1.321 -4.509) 7.169 8.737 ( -0.163 10.559 -0.201) 10.562 9.010 ( 10.771 -3.924 2.269) 11.686 10.624 ( -0.651 3.217 -6.158) 6.978 12.943 ( -9.289 -11.946 -19.523) 24.702 13.430 ( -2.930 -6.332 1.433) 7.122 13.843 ( -8.825 5.940 -5.997) 12.212 15.057 ( 3.279 4.942 6.340) 8.682 15.397 ( 3.617 3.617 1.845) 5.438 16.953 ( 8.236 -1.762 12.265) 14.878 ======================= Grid point 571 (109/234) ======================= q-point: (-0.25 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -9.131 4.693 16.591) 19.510 2.628 ( -32.685 3.879 1.236) 32.938 4.548 ( -32.245 -12.315 -6.351) 35.096 7.282 ( -5.206 -7.141 1.931) 9.045 7.450 ( -6.468 -0.275 2.200) 6.837 8.623 ( -0.785 7.344 -3.807) 8.309 8.928 ( 9.391 7.899 3.524) 12.768 9.172 ( 15.907 -10.205 0.277) 18.901 10.594 ( -7.017 4.087 -6.106) 10.159 12.607 ( -11.723 -17.590 -31.500) 37.935 13.318 ( -3.533 -4.448 2.377) 6.157 13.722 ( -13.111 8.772 -10.488) 18.943 15.121 ( 0.322 1.851 5.893) 6.185 15.541 ( 6.260 5.089 3.218) 8.686 17.124 ( 13.106 -0.275 18.953) 23.044 ======================= Grid point 572 (110/234) ======================= q-point: (-0.19 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -28.392 9.113 13.796) 32.855 2.194 ( -14.172 5.904 21.814) 26.675 3.777 ( -39.630 -13.053 3.432) 41.865 7.111 ( -3.197 -9.744 -1.716) 10.398 7.411 ( -3.506 7.485 -2.260) 8.569 8.668 ( -2.610 6.397 -4.368) 8.174 9.109 ( 8.234 -8.409 8.353) 14.432 9.425 ( 20.714 -0.299 -1.428) 20.766 10.466 ( -13.901 7.529 -9.594) 18.492 12.184 ( -13.813 -20.822 -41.100) 48.099 13.212 ( -5.122 -1.577 2.008) 5.723 13.564 ( -15.418 9.345 -11.093) 21.169 15.122 ( -1.332 0.588 5.013) 5.221 15.680 ( 3.984 3.711 2.971) 6.202 17.424 ( 20.934 0.839 25.006) 32.623 ======================= Grid point 577 (111/234) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 17.353 3.886 19.451) 26.354 2.809 ( 26.601 22.133 1.120) 34.623 4.381 ( 16.494 33.978 -3.674) 37.948 7.101 ( -5.051 10.432 0.011) 11.590 7.495 ( 3.051 -1.816 1.235) 3.759 8.782 ( -0.743 3.301 -5.451) 6.416 8.914 ( -4.299 -8.002 5.833) 10.795 9.116 ( 0.160 -14.813 3.017) 15.117 10.580 ( -8.027 4.940 -10.672) 14.239 12.259 ( -3.456 19.074 -28.238) 34.251 13.344 ( 8.308 3.127 2.668) 9.269 13.890 ( 12.095 6.092 -14.956) 20.177 15.157 ( 2.162 0.201 4.937) 5.394 15.642 ( 1.346 -6.613 2.768) 7.295 17.069 ( -12.583 -11.733 21.608) 27.620 ======================= Grid point 578 (112/234) ======================= q-point: ( 0.19 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 17.605 -0.718 10.641) 20.583 3.455 ( 20.435 22.253 -0.042) 30.212 5.028 ( 23.155 23.871 -9.100) 34.478 7.129 ( -4.567 10.613 1.497) 11.650 7.493 ( -2.203 1.006 3.210) 4.021 8.595 ( -10.562 -9.217 -0.146) 14.019 8.820 ( 2.265 -5.919 -1.929) 6.625 9.221 ( 13.033 0.062 7.757) 15.167 10.354 ( -22.236 7.269 -15.551) 28.091 12.418 ( 1.979 12.490 -16.910) 21.115 13.544 ( 10.931 2.102 2.790) 11.475 14.107 ( 7.674 2.526 -11.580) 14.120 15.196 ( 2.202 -0.690 4.421) 4.987 15.604 ( 1.952 -5.713 1.238) 6.163 16.757 ( -11.817 -7.320 16.844) 21.839 ======================= Grid point 579 (113/234) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 13.131 -6.814 5.897) 15.925 3.965 ( 12.277 21.710 -0.142) 24.942 5.653 ( 25.214 13.946 -10.338) 30.612 7.121 ( -5.525 4.047 2.522) 7.298 7.479 ( -3.490 8.481 1.950) 9.376 8.349 ( -4.592 -11.682 -2.627) 12.824 8.853 ( 2.979 2.292 0.639) 3.813 9.448 ( 9.313 2.956 9.812) 13.847 10.021 ( -22.882 8.799 -19.377) 31.249 12.561 ( 2.365 8.320 -10.198) 13.372 13.751 ( 10.159 1.094 2.104) 10.432 14.208 ( 3.278 -1.832 -2.933) 4.765 15.214 ( 0.847 -0.935 2.079) 2.432 15.610 ( 4.044 -3.187 0.587) 5.182 16.507 ( -9.108 -5.483 11.011) 15.306 ======================= Grid point 580 (114/234) ======================= q-point: ( 0.31 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 6.518 -12.832 5.463) 15.395 4.329 ( 4.840 20.417 -0.727) 20.996 6.142 ( 17.594 4.614 -4.047) 18.633 7.051 ( -2.371 -0.005 -0.746) 2.486 7.558 ( 0.272 12.240 -2.658) 12.528 8.203 ( -0.762 -8.187 -3.085) 8.782 8.950 ( 2.939 5.459 0.326) 6.208 9.488 ( -15.633 10.608 1.971) 18.995 9.866 ( 1.004 4.371 -11.291) 12.150 12.683 ( 3.045 7.382 -5.676) 9.797 13.901 ( 6.406 -1.491 0.583) 6.603 14.188 ( -1.201 -4.758 5.779) 7.581 15.214 ( -0.522 0.673 -1.709) 1.910 15.660 ( 3.532 -2.499 5.108) 6.694 16.337 ( -3.485 -4.911 2.787) 6.635 ======================= Grid point 581 (115/234) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 1.039 -16.268 7.222) 17.829 4.547 ( -2.830 18.723 -1.742) 19.015 6.307 ( 1.096 -3.104 4.776) 5.800 7.094 ( 6.121 0.440 -4.640) 7.694 7.733 ( 6.495 10.003 -8.700) 14.763 8.148 ( 1.868 -5.013 -2.762) 6.020 9.049 ( 0.629 7.312 -1.339) 7.460 9.256 ( -21.009 12.623 -5.351) 25.087 10.011 ( 7.839 3.616 -3.251) 9.224 12.835 ( 5.434 8.432 -0.980) 10.079 13.903 ( -2.181 -6.664 0.923) 7.073 14.118 ( -0.838 -3.376 7.785) 8.527 15.210 ( -1.953 2.521 -3.816) 4.973 15.635 ( -2.764 -4.408 10.929) 12.104 16.312 ( 5.720 -3.962 -4.644) 8.365 ======================= Grid point 582 (116/234) ======================= q-point: ( 0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -1.753 -15.431 8.048) 17.492 4.603 ( -11.161 16.311 -2.488) 19.920 6.202 ( -6.448 -5.065 3.621) 8.964 7.208 ( 6.289 -1.174 -0.829) 6.451 7.957 ( 9.189 4.825 -10.143) 14.512 8.154 ( 3.388 -3.860 -3.340) 6.127 9.042 ( -17.937 13.398 -4.855) 22.909 9.112 ( -2.182 7.135 -2.764) 7.957 10.181 ( 7.259 3.302 -4.215) 9.020 13.051 ( 8.466 9.891 4.021) 13.627 13.735 ( -7.552 -6.685 2.811) 10.470 14.062 ( -1.340 -5.786 4.572) 7.495 15.187 ( -4.621 3.903 -4.018) 7.261 15.507 ( -4.998 -4.841 9.287) 11.604 16.421 ( 10.072 -4.026 -4.193) 11.629 ======================= Grid point 584 (117/234) ======================= q-point: (-0.50 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -2.393 -10.200 6.428) 12.292 4.484 ( -19.275 13.028 -2.705) 23.421 6.008 ( -9.794 -4.749 -1.119) 10.942 7.287 ( 4.965 -2.551 2.335) 6.051 8.129 ( 7.595 -0.153 -7.001) 10.330 8.158 ( 1.471 -5.295 -3.186) 6.352 8.901 ( -11.892 10.825 -2.526) 16.279 9.114 ( -6.896 8.620 -3.447) 11.565 10.335 ( 7.181 2.389 -7.315) 10.526 13.300 ( 7.026 6.938 2.475) 10.180 13.544 ( -6.796 -2.528 7.089) 10.141 13.951 ( -2.332 -8.364 1.691) 8.846 15.122 ( -7.284 4.654 -2.667) 9.046 15.402 ( -2.412 -2.149 4.472) 5.517 16.556 ( 9.974 -4.934 -0.582) 11.143 ======================= Grid point 585 (118/234) ======================= q-point: (-0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -2.641 -2.122 3.987) 5.233 4.197 ( -26.170 9.784 -2.587) 28.059 5.760 ( -13.494 -4.072 -6.183) 15.392 7.335 ( 3.808 -2.992 4.085) 6.336 8.049 ( -5.202 -8.821 -2.496) 10.541 8.258 ( 7.874 -1.534 -2.981) 8.557 8.845 ( -5.003 7.036 -1.082) 8.701 9.048 ( -10.361 9.224 -0.793) 13.895 10.481 ( 7.204 1.127 -10.266) 12.592 13.237 ( -7.559 -9.689 -10.306) 16.038 13.556 ( -1.817 4.904 15.141) 16.018 13.886 ( 3.246 -1.208 -0.312) 3.478 15.059 ( -4.953 5.813 -0.659) 7.665 15.371 ( -0.826 0.957 1.657) 2.084 16.667 ( 8.928 -5.643 3.689) 11.188 ======================= Grid point 586 (119/234) ======================= q-point: (-0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -4.279 5.866 4.629) 8.611 3.779 ( -31.121 7.998 -2.216) 32.209 5.439 ( -19.057 -3.850 -10.007) 21.866 7.355 ( 1.752 -3.225 4.356) 5.696 7.808 ( -10.903 -9.224 1.333) 14.343 8.395 ( 10.111 -1.610 -2.615) 10.567 8.851 ( 0.825 0.481 -0.468) 1.063 8.973 ( -9.026 11.367 3.114) 14.845 10.596 ( 5.409 -1.139 -11.663) 12.907 12.963 ( -9.095 -14.582 -14.380) 22.408 13.493 ( -6.267 1.691 7.563) 9.967 13.975 ( 0.512 5.818 -3.028) 6.579 15.080 ( 0.154 5.805 3.264) 6.662 15.394 ( 1.129 3.713 1.187) 4.058 16.763 ( 8.879 -5.703 8.651) 13.645 ======================= Grid point 587 (120/234) ======================= q-point: (-0.31 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -7.790 11.124 10.690) 17.283 3.290 ( -33.416 8.661 -1.260) 34.543 4.993 ( -27.705 -3.945 -9.965) 29.706 7.301 ( -3.961 -6.587 2.718) 8.152 7.549 ( -7.560 -4.168 3.169) 9.196 8.605 ( 13.040 3.532 -2.309) 13.706 8.863 ( 4.248 -7.813 -0.353) 8.900 8.978 ( -3.974 12.065 5.637) 13.897 10.636 ( 2.295 -4.753 -11.554) 12.702 12.631 ( -11.099 -15.661 -20.546) 28.117 13.410 ( -6.348 3.871 4.624) 8.756 13.981 ( -6.906 6.904 -10.421) 14.282 15.141 ( 0.475 3.281 5.229) 6.191 15.496 ( 4.755 5.636 2.353) 7.740 16.880 ( 11.237 -5.177 14.818) 19.304 ======================= Grid point 595 (121/234) ======================= q-point: ( 0.19 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 12.862 -4.966 7.409) 15.652 3.924 ( 19.231 23.347 -0.435) 30.251 5.442 ( 15.808 17.139 -11.775) 26.121 7.259 ( -6.155 1.676 3.014) 7.055 7.633 ( -2.388 11.792 2.217) 12.234 8.354 ( -7.786 -9.847 -1.578) 12.652 8.837 ( 1.554 3.026 1.177) 3.600 9.237 ( 15.791 1.903 5.128) 16.712 10.445 ( -16.163 1.568 -16.457) 23.120 12.685 ( -4.171 14.082 -12.217) 19.103 13.589 ( 9.593 2.525 4.890) 11.059 14.104 ( 5.237 -3.357 -3.836) 7.308 15.170 ( 2.769 -1.490 2.990) 4.339 15.496 ( 4.198 -4.425 1.119) 6.202 16.632 ( -10.835 -5.241 10.216) 15.787 ======================= Grid point 596 (122/234) ======================= q-point: ( 0.25 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 8.489 -11.512 8.201) 16.488 4.422 ( 10.823 22.771 0.830) 25.226 5.878 ( 17.925 8.357 -9.410) 21.902 7.137 ( -6.959 -0.906 0.876) 7.072 7.703 ( -2.756 11.155 -0.023) 11.490 8.174 ( -3.862 -5.631 -2.424) 7.246 8.938 ( 4.287 5.380 1.407) 7.021 9.535 ( 12.948 5.462 5.075) 14.941 10.148 ( -19.474 3.671 -18.296) 26.971 12.766 ( -1.718 12.145 -6.774) 14.012 13.769 ( 8.000 0.782 3.333) 8.702 14.109 ( 2.463 -8.039 4.898) 9.731 15.207 ( 1.939 0.611 0.252) 2.048 15.549 ( 5.512 -2.825 1.887) 6.475 16.400 ( -9.157 -5.204 4.510) 11.458 ======================= Grid point 597 (123/234) ======================= q-point: ( 0.31 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 3.791 -15.872 11.883) 20.186 4.767 ( 2.477 22.283 0.723) 22.432 6.179 ( 10.257 -0.941 -0.705) 10.324 7.051 ( -1.135 0.216 -5.813) 5.926 7.775 ( 0.015 8.611 -3.249) 9.204 8.093 ( -0.514 -3.448 -2.459) 4.266 9.073 ( 3.599 6.565 -0.010) 7.487 9.720 ( -9.163 11.637 -0.180) 14.813 9.928 ( -0.904 1.633 -13.202) 13.333 12.879 ( 0.911 12.109 -1.887) 12.289 13.850 ( 1.798 -3.426 0.029) 3.870 14.058 ( 1.900 -7.865 11.361) 13.948 15.247 ( 0.658 2.637 -1.146) 2.949 15.601 ( 2.541 -3.153 6.507) 7.664 16.230 ( -2.815 -5.659 -3.241) 7.103 ======================= Grid point 598 (124/234) ======================= q-point: ( 0.38 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 1.454 -15.817 15.204) 21.987 4.954 ( -6.484 20.784 -0.030) 21.772 6.213 ( -0.607 -6.161 4.559) 7.688 7.096 ( 4.672 -0.316 -7.811) 9.107 7.887 ( 4.398 5.319 -6.433) 9.435 8.074 ( 1.675 -2.935 -2.323) 4.100 9.175 ( 0.161 5.617 -2.190) 6.031 9.536 ( -18.890 13.475 -7.799) 24.479 10.073 ( 8.393 2.200 -5.258) 10.146 13.051 ( 4.262 12.840 3.621) 14.005 13.770 ( -4.104 -6.218 -0.030) 7.450 14.012 ( 0.446 -7.107 10.386) 12.593 15.281 ( -1.005 4.425 -1.636) 4.824 15.543 ( -4.217 -4.380 9.144) 10.981 16.212 ( 6.873 -5.732 -7.300) 11.549 ======================= Grid point 599 (125/234) ======================= q-point: (-0.56 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 1.755 -10.637 15.232) 18.661 4.949 ( -15.880 16.768 -0.180) 23.095 6.096 ( -5.136 -5.038 1.250) 7.302 7.166 ( 4.869 -2.828 -3.754) 6.768 8.014 ( 5.643 0.927 -6.648) 8.770 8.077 ( 2.087 -3.758 -2.009) 4.745 9.153 ( -7.817 3.174 -2.541) 8.811 9.415 ( -12.031 16.170 -6.515) 21.182 10.221 ( 7.194 0.102 -7.733) 10.562 13.276 ( 5.767 11.348 7.223) 14.636 13.615 ( -5.690 -5.089 1.208) 7.729 13.917 ( -2.328 -7.514 6.925) 10.480 15.287 ( -5.056 5.442 -1.485) 7.575 15.422 ( -3.114 -3.070 5.889) 7.335 16.312 ( 10.478 -6.394 -4.592) 13.106 ======================= Grid point 600 (126/234) ======================= q-point: (-0.50 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 2.797 -1.720 11.730) 12.181 4.742 ( -23.227 10.957 0.118) 25.682 5.940 ( -9.312 -1.144 -4.599) 10.448 7.214 ( 4.934 -4.480 -0.055) 6.665 8.022 ( -1.264 -6.784 -3.270) 7.637 8.122 ( 5.599 -1.361 -2.536) 6.295 9.024 ( -9.088 2.989 -0.294) 9.572 9.377 ( -11.575 14.757 -4.348) 19.252 10.335 ( 7.792 -3.131 -11.547) 14.278 13.274 ( -8.065 -9.037 -4.554) 12.940 13.635 ( 2.957 10.060 16.725) 19.740 13.822 ( 0.468 -2.860 0.041) 2.898 15.213 ( -6.646 3.293 -0.236) 7.421 15.399 ( -0.475 2.434 1.836) 3.086 16.430 ( 10.377 -7.050 -0.326) 12.550 ======================= Grid point 601 (127/234) ======================= q-point: (-0.44 0.19 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 1.922 7.483 7.870) 11.028 4.377 ( -27.724 6.475 -0.024) 28.470 5.734 ( -15.207 2.417 -9.600) 18.146 7.251 ( 4.770 -5.172 2.426) 7.442 7.871 ( -6.801 -8.562 -0.292) 10.939 8.212 ( 7.323 -2.635 -2.303) 8.117 8.913 ( -6.120 1.546 1.407) 6.467 9.302 ( -12.473 13.389 0.457) 18.304 10.425 ( 8.182 -7.780 -14.950) 18.735 12.986 ( -9.965 -13.264 -8.392) 18.592 13.648 ( -6.440 5.064 8.974) 12.151 13.964 ( 7.296 7.075 2.469) 10.459 15.159 ( -3.131 3.583 0.549) 4.789 15.430 ( -0.225 4.876 1.020) 4.987 16.533 ( 9.661 -7.144 4.479) 12.824 ======================= Grid point 612 (128/234) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 2.280 -10.618 14.019) 17.734 4.866 ( 12.200 20.438 2.039) 23.889 5.995 ( 9.893 3.352 -5.573) 11.839 7.117 ( -5.846 -0.862 -2.781) 6.531 7.887 ( -3.433 6.708 -1.746) 7.735 8.093 ( -3.003 -3.022 -2.472) 4.925 9.063 ( 5.249 6.820 0.162) 8.608 9.646 ( 15.465 4.687 -1.639) 16.243 10.180 ( -14.406 0.012 -14.509) 20.446 13.050 ( -3.849 15.359 -2.835) 16.086 13.784 ( 4.258 0.819 5.348) 6.885 13.895 ( 3.704 -12.346 9.049) 15.749 15.247 ( 2.657 3.349 0.352) 4.290 15.495 ( 5.380 -2.589 2.293) 6.396 16.292 ( -9.807 -5.452 -1.080) 11.272 ======================= Grid point 613 (129/234) ======================= q-point: ( 0.31 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.790 -12.253 20.423) 23.830 5.212 ( 2.796 21.090 2.252) 21.393 6.106 ( 4.060 -6.224 1.849) 7.658 7.060 ( -0.405 0.494 -9.371) 9.393 7.905 ( -0.497 4.363 -3.510) 5.622 8.037 ( -0.503 -2.363 -2.433) 3.429 9.209 ( 3.021 6.567 -2.469) 7.638 9.919 ( 8.135 5.027 -2.986) 10.018 9.942 ( -11.943 2.166 -12.599) 17.495 13.167 ( -0.673 15.632 3.030) 15.937 13.767 ( -2.085 -4.624 -0.722) 5.123 13.881 ( 4.893 -9.113 14.301) 17.650 15.319 ( 1.222 4.341 1.118) 4.646 15.536 ( 1.481 -3.163 6.159) 7.080 16.112 ( -2.964 -5.744 -8.073) 10.342 ======================= Grid point 614 (130/234) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 2.563 -8.862 23.329) 25.087 5.361 ( -9.949 18.355 1.930) 20.967 6.060 ( 1.570 -8.626 3.711) 9.521 7.082 ( 2.196 -0.954 -9.900) 10.185 7.957 ( 2.362 1.867 -4.778) 5.648 8.018 ( 0.873 -2.502 -2.199) 3.443 9.275 ( -2.407 3.846 -4.499) 6.390 9.770 ( -11.834 9.479 -7.842) 17.070 10.088 ( 7.149 -1.050 -7.036) 10.086 13.339 ( 2.066 14.625 8.925) 17.257 13.653 ( -5.185 -5.441 -1.100) 7.596 13.847 ( 2.007 -8.334 10.971) 13.923 15.382 ( 0.463 5.124 1.639) 5.400 15.466 ( -4.973 -3.016 6.382) 8.635 16.091 ( 6.434 -5.717 -9.663) 12.940 ======================= Grid point 616 (131/234) ======================= q-point: (-0.56 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 6.139 -1.231 20.557) 21.490 5.221 ( -20.100 7.894 2.487) 21.738 6.028 ( -0.514 -0.364 -0.497) 0.803 7.103 ( 2.574 -3.096 -6.724) 7.837 7.976 ( -0.220 -3.891 -3.609) 5.312 8.036 ( 3.265 -0.431 -2.442) 4.100 9.201 ( -7.990 1.452 -2.728) 8.567 9.708 ( -9.361 12.517 -6.217) 16.822 10.161 ( 5.986 -6.517 -10.046) 13.387 13.348 ( -9.792 -7.003 2.493) 12.294 13.645 ( 6.248 10.034 8.492) 14.554 13.807 ( -0.095 -2.623 6.402) 6.919 15.341 ( -6.116 -0.888 2.602) 6.706 15.441 ( 0.137 5.264 2.287) 5.741 16.181 ( 9.602 -5.907 -5.867) 12.709 ======================= Grid point 630 (132/234) ======================= q-point: ( 0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -1.665 -4.061 26.826) 27.183 5.597 ( 8.265 15.487 3.383) 17.877 5.936 ( -4.173 -9.664 3.235) 11.012 7.065 ( -0.418 0.025 -11.345) 11.353 7.962 ( -0.407 1.537 -3.541) 3.882 7.993 ( -0.507 -1.813 -2.826) 3.395 9.316 ( 1.865 3.193 -5.444) 6.581 9.929 ( 6.891 0.996 -7.791) 10.449 10.015 ( -5.980 0.598 -7.368) 9.508 13.476 ( 0.759 13.469 8.987) 16.209 13.653 ( 5.544 -6.915 2.754) 9.281 13.722 ( -5.400 -5.285 8.685) 11.512 15.414 ( 0.696 4.401 4.392) 6.256 15.475 ( 1.316 -2.731 5.264) 6.074 16.012 ( -3.007 -3.433 -12.009) 12.847 ======================= Grid point 813 (133/234) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 0.000 20.022) 20.022 1.897 ( 0.000 -0.000 20.022) 20.022 3.219 ( 0.000 0.000 36.925) 36.925 6.904 ( -0.000 0.000 -4.049) 4.049 6.904 ( 0.000 -0.000 -4.049) 4.049 8.510 ( 0.000 0.000 -3.912) 3.912 8.510 ( 0.000 -0.000 -3.912) 3.912 10.145 ( 0.000 0.000 2.629) 2.629 10.145 ( -0.000 -0.000 2.629) 2.629 10.976 ( 0.000 0.000 -23.647) 23.647 12.983 ( 0.000 0.000 0.273) 0.273 12.983 ( 0.000 -0.000 0.273) 0.273 15.070 ( -0.000 0.000 -0.357) 0.357 15.819 ( -0.000 0.000 3.948) 3.948 18.765 ( 0.000 0.000 4.118) 4.118 ======================= Grid point 814 (134/234) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 16.470 9.509 21.384) 28.617 2.115 ( 12.255 7.076 14.889) 20.541 3.256 ( 4.149 2.396 31.166) 31.533 6.853 ( -1.513 -0.873 -2.644) 3.169 7.134 ( 14.021 8.095 -9.433) 18.738 8.468 ( -1.708 -0.986 -2.663) 3.314 8.873 ( 22.349 12.903 -0.781) 25.818 10.002 ( -3.937 -2.273 -1.521) 4.794 10.118 ( -4.690 -2.708 0.894) 5.489 10.923 ( -5.402 -3.119 -24.895) 25.665 13.042 ( 5.063 2.923 0.476) 5.865 13.100 ( 9.107 5.258 -1.784) 10.666 15.100 ( 2.225 1.285 0.146) 2.573 15.829 ( 0.741 0.428 3.696) 3.794 18.561 ( -16.073 -9.280 8.166) 20.276 ======================= Grid point 815 (135/234) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 16.222 9.366 8.333) 20.501 2.509 ( 19.797 11.430 19.962) 30.349 3.481 ( 16.731 9.660 15.927) 25.038 6.834 ( -0.021 -0.012 -0.329) 0.329 7.437 ( 10.258 5.923 -11.069) 16.212 8.438 ( -0.702 -0.405 -1.705) 1.888 9.177 ( 3.157 1.822 12.148) 12.683 9.940 ( -9.970 -5.756 -0.860) 11.545 10.104 ( 3.721 2.149 -10.070) 10.948 10.874 ( 9.329 5.386 -28.646) 30.605 13.206 ( 8.524 4.921 0.651) 9.864 13.350 ( 11.225 6.481 -6.440) 14.473 15.160 ( 2.756 1.591 0.977) 3.329 15.837 ( -0.501 -0.289 2.745) 2.805 18.097 ( -21.888 -12.637 13.843) 28.817 ======================= Grid point 816 (136/234) ======================= q-point: ( 0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 17.927 10.350 2.250) 20.823 2.874 ( 11.797 6.811 12.665) 18.600 4.050 ( 30.118 17.389 2.544) 34.870 6.855 ( 1.854 1.071 2.726) 3.467 7.579 ( 1.911 1.103 -5.577) 5.998 8.438 ( 0.624 0.360 -1.680) 1.828 9.234 ( 3.316 1.914 5.488) 6.692 9.676 ( -12.084 -6.977 -1.747) 14.063 9.895 ( -15.911 -9.186 -3.899) 18.782 11.393 ( 27.011 15.595 -22.444) 38.425 13.423 ( 9.726 5.615 0.552) 11.244 13.605 ( 10.577 6.106 -10.125) 15.864 15.227 ( 2.987 1.724 1.410) 3.726 15.789 ( -3.759 -2.170 0.874) 4.427 17.595 ( -20.163 -11.641 16.111) 28.313 ======================= Grid point 817 (137/234) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 8.378 4.837 1.123) 9.739 3.273 ( 17.244 9.956 -2.337) 20.049 4.798 ( 32.321 18.661 -4.469) 37.588 6.923 ( 3.895 2.249 5.788) 7.330 7.553 ( -3.440 -1.986 1.481) 4.240 8.462 ( 1.229 0.709 -2.705) 3.055 9.205 ( -10.861 -6.270 -14.482) 19.157 9.399 ( -11.046 -6.377 -1.365) 12.827 9.632 ( -0.902 -0.521 13.113) 13.154 11.951 ( 19.531 11.276 -12.471) 25.771 13.648 ( 9.285 5.361 0.246) 10.724 13.856 ( 10.963 6.329 -10.918) 16.717 15.295 ( 2.402 1.387 2.040) 3.443 15.669 ( -5.803 -3.350 -2.775) 7.253 17.173 ( -15.803 -9.124 15.988) 24.261 ======================= Grid point 818 (138/234) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 5.413 3.125 -6.531) 9.040 3.646 ( 14.220 8.210 -5.011) 17.167 5.524 ( 29.151 16.830 -8.911) 34.820 7.034 ( 5.443 3.143 7.792) 10.011 7.441 ( -5.765 -3.329 6.437) 9.260 8.482 ( 0.180 0.104 -4.008) 4.014 8.842 ( -16.139 -9.318 -13.032) 22.740 9.180 ( -7.263 -4.193 -0.110) 8.387 9.746 ( 6.935 4.004 9.381) 12.334 12.309 ( 11.741 6.779 -5.024) 14.458 13.850 ( 7.787 4.496 -0.096) 8.992 14.108 ( 9.787 5.650 -6.950) 13.267 15.275 ( -5.575 -3.219 1.082) 6.528 15.600 ( 1.945 1.123 -6.491) 6.868 16.849 ( -12.142 -7.010 14.600) 20.242 ======================= Grid point 819 (139/234) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 0.829 0.479 -8.318) 8.372 3.926 ( 9.441 5.450 -5.887) 12.389 6.133 ( 21.687 12.521 -9.211) 26.682 7.169 ( 5.837 3.370 7.990) 10.453 7.308 ( -4.434 -2.560 6.103) 7.967 8.464 ( -1.546 -0.893 -3.681) 4.091 8.521 ( -10.831 -6.253 -10.292) 16.197 9.064 ( -2.845 -1.643 0.369) 3.306 9.900 ( 5.913 3.414 4.083) 7.955 12.546 ( 9.437 5.448 -0.040) 10.897 14.007 ( 5.560 3.210 -0.343) 6.429 14.261 ( 2.147 1.240 1.502) 2.899 15.094 ( -7.792 -4.499 -6.555) 11.132 15.730 ( 7.533 4.349 -4.060) 9.599 16.593 ( -9.682 -5.590 11.414) 15.977 ======================= Grid point 820 (140/234) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -4.644 -2.681 -5.607) 7.758 4.081 ( 3.687 2.129 -5.511) 6.964 6.446 ( 3.149 1.818 1.177) 3.822 7.298 ( 5.052 2.917 6.572) 8.788 7.331 ( 8.364 4.829 -6.545) 11.666 8.333 ( -5.547 -3.203 -8.368) 10.538 8.425 ( -1.473 -0.850 -1.568) 2.313 9.025 ( -1.035 -0.598 -0.326) 1.239 10.022 ( 4.610 2.662 -0.509) 5.347 12.781 ( 10.948 6.321 3.316) 13.070 14.106 ( 2.801 1.617 -0.444) 3.265 14.185 ( -7.973 -4.603 8.288) 12.387 14.962 ( -3.624 -2.092 -11.530) 12.266 15.869 ( 1.824 1.053 4.062) 4.575 16.432 ( -2.270 -1.311 2.821) 3.851 ======================= Grid point 821 (141/234) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -9.166 -5.292 -1.200) 10.652 4.095 ( -2.576 -1.487 -4.444) 5.348 6.335 ( -10.014 -5.782 7.102) 13.570 7.401 ( 3.686 2.128 4.651) 6.305 7.644 ( 15.576 8.993 -14.959) 23.394 8.240 ( -2.911 -1.681 -7.076) 7.834 8.405 ( -0.116 -0.067 -0.275) 0.306 8.999 ( -1.339 -0.773 -0.513) 1.629 10.121 ( 3.952 2.282 -4.487) 6.399 13.046 ( 10.670 6.160 2.899) 12.657 13.960 ( -9.389 -5.421 11.942) 16.130 14.136 ( -0.262 -0.151 -0.396) 0.499 14.890 ( -3.108 -1.794 -11.151) 11.714 15.768 ( -8.542 -4.932 10.487) 14.397 16.519 ( 7.867 4.542 -3.694) 9.806 ======================= Grid point 823 (142/234) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -10.836 -6.256 2.578) 12.775 3.959 ( -9.020 -5.208 -2.877) 10.805 6.044 ( -14.263 -8.235 4.862) 17.172 7.469 ( 2.127 1.228 3.280) 4.098 7.977 ( 11.484 6.630 -14.775) 19.853 8.182 ( -1.648 -0.952 -4.740) 5.108 8.417 ( 0.940 0.543 -1.702) 2.018 8.965 ( -1.247 -0.720 0.803) 1.649 10.215 ( 4.229 2.442 -7.727) 9.141 13.191 ( -0.263 -0.152 -6.096) 6.103 13.826 ( -1.386 -0.800 20.095) 20.159 14.094 ( -3.305 -1.908 -0.208) 3.822 14.817 ( -2.296 -1.326 -8.716) 9.110 15.562 ( -7.923 -4.574 8.000) 12.153 16.722 ( 8.711 5.029 -1.766) 10.213 ======================= Grid point 824 (143/234) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -8.243 -4.759 5.484) 10.985 3.676 ( -14.900 -8.602 -0.652) 17.217 5.674 ( -17.413 -10.053 0.821) 20.123 7.498 ( 0.217 0.125 2.228) 2.242 8.022 ( -5.765 -3.328 -9.663) 11.734 8.301 ( 9.891 5.711 -2.607) 11.715 8.436 ( 0.432 0.250 -4.774) 4.800 8.964 ( 1.660 0.958 2.907) 3.482 10.320 ( 4.567 2.637 -10.128) 11.419 13.054 ( -9.836 -5.679 -12.124) 16.613 13.788 ( -4.707 -2.718 16.767) 17.626 13.985 ( -5.955 -3.438 0.104) 6.877 14.857 ( 6.775 3.912 -1.446) 7.956 15.420 ( -4.086 -2.359 4.135) 6.273 16.916 ( 7.953 4.592 1.759) 9.351 ======================= Grid point 825 (144/234) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -1.747 -1.009 9.536) 9.747 3.275 ( -18.989 -10.963 2.509) 22.069 5.222 ( -21.401 -12.356 -3.500) 24.958 7.473 ( -2.472 -1.427 0.368) 2.878 7.830 ( -10.031 -5.791 -3.666) 12.149 8.438 ( 0.091 0.053 -5.341) 5.342 8.543 ( 10.872 6.277 0.554) 12.566 9.057 ( 6.224 3.594 3.054) 7.809 10.413 ( 2.929 1.691 -10.905) 11.418 12.752 ( -16.310 -9.417 -17.048) 25.403 13.613 ( -8.411 -4.856 7.614) 12.341 13.821 ( -7.910 -4.567 0.481) 9.147 15.083 ( 10.000 5.773 5.795) 12.920 15.373 ( 0.583 0.337 0.984) 1.192 17.107 ( 8.776 5.067 5.711) 11.632 ======================= Grid point 826 (145/234) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 4.590 2.650 17.097) 17.900 2.810 ( -20.090 -11.599 6.834) 24.183 4.665 ( -26.120 -15.081 -7.012) 30.965 7.381 ( -5.187 -2.995 -2.122) 6.355 7.579 ( -10.855 -6.267 0.981) 12.573 8.456 ( 1.476 0.852 -4.026) 4.372 8.818 ( 12.688 7.325 2.945) 14.944 9.244 ( 9.546 5.512 2.135) 11.228 10.435 ( -1.615 -0.933 -8.986) 9.178 12.277 ( -24.043 -13.881 -25.722) 37.846 13.449 ( -5.392 -3.113 2.630) 6.759 13.621 ( -9.008 -5.201 0.794) 10.431 15.211 ( 1.103 0.637 5.040) 5.198 15.491 ( 8.371 4.833 2.081) 9.887 17.348 ( 12.238 7.066 9.724) 17.154 ======================= Grid point 827 (146/234) ======================= q-point: (-0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -17.502 -10.105 12.288) 23.652 2.707 ( 4.946 2.855 27.899) 28.478 4.014 ( -28.697 -16.568 -7.971) 34.081 7.243 ( -6.244 -3.605 -3.917) 8.205 7.341 ( -9.204 -5.314 1.340) 10.712 8.500 ( 2.028 1.171 -3.797) 4.461 9.142 ( 15.085 8.709 4.333) 17.949 9.493 ( 11.468 6.621 2.230) 13.429 10.292 ( -12.256 -7.076 -4.758) 14.930 11.678 ( -25.025 -14.448 -36.690) 46.703 13.340 ( -4.516 -2.608 0.381) 5.229 13.406 ( -9.126 -5.269 0.887) 10.575 15.202 ( -1.270 -0.733 2.578) 2.966 15.674 ( 6.421 3.707 3.667) 8.272 17.692 ( 17.081 9.862 12.691) 23.453 ======================= Grid point 828 (147/234) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -11.246 -6.493 17.925) 22.134 2.699 ( -9.371 -5.411 31.274) 33.094 3.422 ( -17.728 -10.235 2.508) 20.623 7.102 ( -5.606 -3.237 -4.685) 7.991 7.148 ( -7.484 -4.321 -2.714) 9.058 8.537 ( 0.945 0.546 -4.454) 4.586 9.496 ( 9.014 5.204 9.947) 14.397 9.767 ( 11.532 6.658 3.047) 13.660 9.801 ( -23.797 -13.739 -11.513) 29.793 11.221 ( -12.895 -7.445 -36.888) 39.780 13.203 ( -7.979 -4.606 0.696) 9.239 13.218 ( -6.025 -3.478 -0.455) 6.972 15.159 ( -2.368 -1.367 1.181) 2.978 15.783 ( 2.974 1.717 3.992) 5.266 18.133 ( 19.885 11.481 12.579) 26.181 ======================= Grid point 829 (148/234) ======================= q-point: (-0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -2.578 -1.489 21.271) 21.478 2.264 ( -22.085 -12.751 18.315) 31.397 3.237 ( -1.976 -1.141 29.578) 29.665 6.981 ( -6.642 -3.835 -5.850) 9.646 6.987 ( -4.237 -2.446 -4.690) 6.777 8.540 ( -0.671 -0.387 -4.653) 4.717 8.893 ( -31.580 -18.233 -3.329) 36.618 9.983 ( 14.785 8.536 -0.099) 17.073 10.010 ( 8.600 4.965 3.413) 10.500 11.025 ( -5.003 -2.889 -27.364) 27.968 13.047 ( -5.030 -2.904 0.379) 5.821 13.068 ( -6.139 -3.544 -0.295) 7.095 15.100 ( -2.277 -1.314 0.137) 2.632 15.819 ( 0.380 0.219 3.929) 3.953 18.567 ( 15.428 8.907 7.983) 19.521 ======================= Grid point 831 (149/234) ======================= q-point: ( 0.06 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 19.447 6.613 16.452) 26.317 2.563 ( 4.889 22.058 21.593) 31.253 3.355 ( 8.514 9.692 15.827) 20.418 6.915 ( -5.394 6.168 -2.000) 8.434 7.264 ( 13.188 4.743 -8.251) 16.263 8.523 ( -2.467 3.681 -4.359) 6.216 9.239 ( -4.500 16.378 9.239) 19.335 9.805 ( 0.347 -19.793 -2.683) 19.977 10.048 ( 14.038 5.728 -6.061) 16.328 11.003 ( -8.813 10.754 -30.572) 33.585 13.127 ( 4.145 5.216 0.663) 6.695 13.256 ( 8.995 8.985 -3.004) 13.064 15.143 ( 1.492 2.606 0.824) 3.114 15.819 ( 0.879 -1.816 3.533) 4.069 18.245 ( -12.749 -19.988 12.185) 26.656 ======================= Grid point 832 (150/234) ======================= q-point: ( 0.12 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 21.842 8.685 7.519) 24.679 2.839 ( 7.557 11.558 19.817) 24.154 3.774 ( 21.265 19.989 2.057) 29.257 6.911 ( -2.960 7.282 0.770) 7.898 7.484 ( 8.261 0.136 -6.179) 10.317 8.535 ( -3.480 7.752 -3.980) 9.383 9.190 ( -2.356 -2.156 10.788) 11.251 9.562 ( -1.633 -22.442 0.580) 22.509 10.243 ( -10.675 6.787 -8.912) 15.474 11.196 ( 14.579 23.219 -28.063) 39.233 13.295 ( 9.042 4.164 0.458) 9.966 13.512 ( 9.287 8.611 -7.049) 14.494 15.199 ( 2.205 2.025 1.429) 3.317 15.796 ( -0.670 -3.905 2.201) 4.532 17.782 ( -16.939 -17.144 15.084) 28.432 ======================= Grid point 833 (151/234) ======================= q-point: ( 0.19 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 13.047 3.111 3.004) 13.746 3.146 ( 13.892 15.084 6.109) 21.397 4.436 ( 29.095 19.906 -3.862) 35.464 6.957 ( -1.094 8.556 3.433) 9.283 7.555 ( 1.226 -1.811 -0.989) 2.400 8.537 ( -5.174 7.283 -2.162) 9.192 9.089 ( -0.544 -18.884 -3.450) 19.204 9.428 ( 5.283 -4.253 7.960) 10.458 9.951 ( -24.511 5.576 -7.166) 26.138 11.749 ( 19.130 18.373 -16.883) 31.442 13.511 ( 10.696 3.595 0.170) 11.286 13.756 ( 9.145 8.095 -9.499) 15.472 15.261 ( 2.765 1.423 1.835) 3.611 15.710 ( -3.513 -5.322 -0.391) 6.389 17.338 ( -15.581 -13.136 15.562) 25.641 ======================= Grid point 834 (152/234) ======================= q-point: ( 0.25 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 9.426 -0.311 -3.337) 10.004 3.556 ( 12.147 17.521 -1.531) 21.375 5.150 ( 30.767 15.705 -7.710) 35.393 7.040 ( 0.522 8.354 5.513) 10.023 7.511 ( -4.053 -1.098 4.300) 6.010 8.485 ( -4.351 -2.340 -2.394) 5.490 8.878 ( -2.165 -12.163 -5.628) 13.576 9.486 ( -13.605 7.052 -10.225) 18.423 9.660 ( -1.081 1.303 11.266) 11.393 12.178 ( 12.821 10.911 -8.146) 18.703 13.729 ( 9.917 2.894 -0.009) 10.331 14.004 ( 9.704 7.681 -8.353) 14.931 15.303 ( -0.007 -0.977 2.628) 2.804 15.597 ( -2.313 -3.216 -4.950) 6.341 16.975 ( -12.373 -10.261 14.685) 21.773 ======================= Grid point 835 (153/234) ======================= q-point: ( 0.31 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 5.946 -2.665 -6.759) 9.389 3.901 ( 7.042 16.654 -4.212) 18.566 5.810 ( 27.936 11.331 -9.812) 31.703 7.123 ( 1.171 3.105 6.908) 7.663 7.418 ( -5.934 2.776 6.534) 9.253 8.346 ( -1.740 -11.772 -3.828) 12.500 8.787 ( -6.082 5.403 -6.452) 10.383 9.223 ( -16.350 5.362 -5.069) 17.938 9.798 ( 8.488 1.296 6.330) 10.667 12.449 ( 8.780 7.291 -2.248) 11.632 13.908 ( 7.807 1.271 -0.238) 7.914 14.220 ( 6.236 4.996 -2.175) 8.282 15.197 ( -7.598 -3.716 -2.198) 8.739 15.634 ( 6.496 1.800 -5.372) 8.619 16.685 ( -9.670 -9.180 12.676) 18.397 ======================= Grid point 836 (154/234) ======================= q-point: ( 0.38 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.820 -5.331 -5.213) 7.501 4.132 ( 1.005 14.569 -5.009) 15.439 6.311 ( 16.795 5.371 -5.708) 18.534 7.124 ( 2.945 -5.505 4.985) 7.989 7.422 ( -1.097 10.460 2.459) 10.800 8.228 ( 0.927 -9.429 -3.747) 10.189 8.718 ( -12.832 13.164 -7.113) 19.711 9.073 ( -5.330 1.889 -0.800) 5.711 9.944 ( 6.612 1.178 1.188) 6.820 12.674 ( 9.130 7.424 1.901) 11.920 14.015 ( 4.622 -2.827 -0.297) 5.426 14.282 ( -2.799 1.123 5.906) 6.631 15.042 ( -6.383 -0.252 -9.095) 11.114 15.796 ( 7.655 1.824 -1.103) 7.946 16.453 ( -5.775 -8.181 7.659) 12.607 ======================= Grid point 837 (155/234) ======================= q-point: ( 0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -4.575 -7.328 -0.955) 8.691 4.227 ( -5.618 11.929 -4.748) 14.015 6.416 ( -4.328 -4.128 5.429) 8.077 7.228 ( 12.674 -3.732 -1.896) 13.347 7.571 ( 5.431 11.588 -5.833) 14.064 8.181 ( 1.948 -5.520 -3.437) 6.788 8.624 ( -12.708 13.768 -4.436) 19.254 9.033 ( -2.141 1.296 -0.636) 2.583 10.057 ( 5.178 0.889 -3.205) 6.154 12.931 ( 10.613 8.551 3.968) 14.195 13.977 ( -2.232 -9.433 3.067) 10.167 14.208 ( -5.367 2.167 6.637) 8.806 14.964 ( -4.612 2.349 -11.003) 12.160 15.833 ( -3.776 -4.404 8.807) 10.545 16.395 ( 6.740 -2.443 -2.482) 7.587 ======================= Grid point 838 (156/234) ======================= q-point: (-0.50 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -8.451 -7.384 3.177) 11.663 4.174 ( -12.525 8.889 -3.758) 15.812 6.193 ( -11.962 -8.017 5.860) 15.547 7.382 ( 7.726 -2.621 1.304) 8.262 7.832 ( 11.344 7.702 -12.924) 18.843 8.167 ( 1.012 -3.106 -3.640) 4.891 8.564 ( -9.254 12.579 -2.402) 15.800 9.005 ( -2.647 1.426 -0.337) 3.025 10.151 ( 4.832 0.703 -6.843) 8.406 13.169 ( 5.436 5.509 -0.692) 7.771 13.831 ( -1.937 -5.631 11.519) 12.967 14.132 ( -4.616 -1.701 4.167) 6.447 14.905 ( -5.530 3.354 -9.746) 11.697 15.648 ( -8.076 -6.493 9.410) 13.997 16.567 ( 11.705 0.163 -3.306) 12.164 ======================= Grid point 839 (157/234) ======================= q-point: (-0.44 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( -9.207 -4.644 5.775) 11.819 3.969 ( -19.165 5.780 -2.064) 20.124 5.863 ( -15.307 -9.494 2.268) 18.154 7.457 ( 3.793 -2.026 2.093) 4.782 8.027 ( 2.834 -1.905 -12.366) 12.829 8.183 ( 5.470 1.207 -2.539) 6.150 8.554 ( -5.968 11.792 -2.673) 13.483 8.978 ( -1.904 1.833 1.517) 3.047 10.248 ( 5.489 0.721 -9.772) 11.231 13.152 ( -7.141 -3.782 -9.584) 12.536 13.839 ( 0.262 2.609 19.556) 19.731 14.002 ( -3.850 -7.153 0.959) 8.180 14.871 ( -2.054 6.251 -5.656) 8.676 15.473 ( -5.305 -3.869 5.712) 8.703 16.771 ( 11.133 -0.090 -0.114) 11.134 ======================= Grid point 840 (158/234) ======================= q-point: (-0.38 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -6.035 0.598 7.749) 9.840 3.627 ( -24.549 3.397 0.515) 24.788 5.461 ( -18.977 -10.625 -2.046) 21.845 7.475 ( 0.516 -2.264 1.194) 2.611 7.924 ( -7.059 -5.872 -5.973) 10.954 8.340 ( 8.587 0.139 -3.343) 9.216 8.596 ( -2.831 12.498 -2.755) 13.107 8.994 ( 2.162 1.699 3.851) 4.732 10.353 ( 5.402 0.434 -11.800) 12.985 12.909 ( -12.657 -8.933 -13.374) 20.466 13.717 ( -9.651 -4.874 10.774) 15.264 13.917 ( -4.324 -0.974 1.475) 4.671 14.998 ( 6.965 8.663 2.247) 11.340 15.386 ( -1.945 -0.827 2.198) 3.050 16.960 ( 10.839 -0.102 3.774) 11.478 ======================= Grid point 841 (159/234) ======================= q-point: (-0.31 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.653 5.630 11.374) 12.708 3.196 ( -27.402 2.903 4.431) 27.910 4.973 ( -23.941 -11.570 -6.035) 27.266 7.423 ( -3.204 -3.570 -0.972) 4.894 7.703 ( -10.115 -6.300 -0.699) 11.937 8.461 ( 3.466 3.356 -3.255) 5.820 8.733 ( 5.496 10.192 -0.106) 11.580 9.088 ( 7.591 -0.558 4.861) 9.032 10.430 ( 2.787 -0.274 -12.048) 12.369 12.516 ( -19.326 -13.660 -18.733) 30.183 13.514 ( -7.395 -3.938 5.350) 9.941 13.785 ( -9.986 1.044 -0.767) 10.070 15.189 ( 4.001 3.844 6.034) 8.197 15.415 ( 5.016 4.049 0.443) 6.461 17.167 ( 12.825 0.909 7.937) 15.110 ======================= Grid point 842 (160/234) ======================= q-point: (-0.25 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -6.765 2.818 11.126) 13.323 2.789 ( -17.682 8.810 16.850) 25.965 4.387 ( -29.170 -11.361 -8.261) 32.376 7.284 ( -6.392 -7.227 -2.123) 9.879 7.484 ( -8.866 -1.944 1.140) 9.148 8.539 ( -0.741 7.057 -3.616) 7.964 8.990 ( 12.952 8.316 1.828) 15.500 9.235 ( 12.210 -5.808 5.818) 14.719 10.430 ( -3.122 -0.042 -9.758) 10.245 11.965 ( -25.438 -15.786 -27.428) 40.602 13.372 ( -5.548 -2.723 2.762) 6.769 13.610 ( -11.651 2.719 -2.269) 12.177 15.220 ( -0.924 0.451 3.393) 3.546 15.595 ( 7.545 5.030 2.654) 9.448 17.446 ( 17.319 2.361 11.730) 21.050 ======================= Grid point 843 (161/234) ======================= q-point: (-0.19 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -21.689 6.445 11.716) 25.480 2.791 ( -3.428 4.167 29.510) 29.999 3.759 ( -29.213 -7.050 -5.371) 30.528 7.081 ( -5.654 -9.730 -1.332) 11.332 7.354 ( -8.254 4.676 -2.983) 9.945 8.567 ( -2.447 3.474 -4.709) 6.343 9.318 ( 10.491 2.549 10.447) 15.023 9.402 ( 19.193 -5.852 0.001) 20.065 10.288 ( -16.241 4.319 -7.013) 18.210 11.373 ( -21.202 -14.835 -35.456) 43.895 13.247 ( -6.173 -1.866 1.458) 6.612 13.436 ( -12.049 3.687 -3.056) 12.965 15.192 ( -2.260 -0.165 1.815) 2.904 15.745 ( 4.524 3.253 3.387) 6.520 17.821 ( 22.259 2.431 13.706) 26.253 ======================= Grid point 848 (162/234) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 12.986 5.911 5.511) 15.295 3.008 ( 17.495 10.269 17.055) 26.503 4.262 ( 16.017 26.433 -7.455) 31.793 7.109 ( -3.807 11.351 0.437) 11.981 7.498 ( 4.261 2.143 -0.706) 4.822 8.668 ( 3.484 3.681 -4.846) 7.012 8.992 ( -13.461 -16.147 1.249) 21.059 9.257 ( 6.219 -6.781 10.329) 13.833 10.339 ( -11.833 2.697 -12.236) 17.234 11.720 ( 8.627 26.851 -22.195) 35.889 13.385 ( 7.427 4.804 1.432) 8.961 13.681 ( 8.921 8.034 -6.286) 13.552 15.234 ( 1.833 1.227 2.303) 3.189 15.681 ( -0.567 -7.215 1.596) 7.411 17.440 ( -12.484 -15.940 13.864) 24.539 ======================= Grid point 849 (163/234) ======================= q-point: ( 0.19 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 10.638 -2.201 1.902) 11.029 3.509 ( 17.199 20.537 4.658) 27.190 4.837 ( 22.637 19.346 -8.749) 31.037 7.164 ( -2.959 10.246 1.693) 10.798 7.553 ( -0.387 2.430 2.463) 3.482 8.593 ( -12.888 -10.196 -0.117) 16.434 8.769 ( 4.202 -1.709 -2.510) 5.184 9.390 ( 12.312 -1.689 7.806) 14.675 10.051 ( -22.288 4.094 -12.599) 25.928 12.117 ( 9.322 17.815 -11.499) 23.162 13.583 ( 9.615 3.615 0.991) 10.320 13.917 ( 9.091 7.588 -6.902) 13.706 15.276 ( 1.848 -0.274 2.895) 3.445 15.587 ( -1.533 -6.397 -1.743) 6.805 17.077 ( -12.277 -12.349 13.088) 21.783 ======================= Grid point 850 (164/234) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 9.177 -4.095 -2.058) 10.258 3.969 ( 9.678 22.666 0.028) 24.645 5.435 ( 26.470 12.513 -9.932) 30.918 7.186 ( -3.596 3.868 3.611) 6.398 7.550 ( -3.892 5.793 4.495) 8.302 8.304 ( -6.531 -11.165 -1.525) 13.024 8.846 ( 2.328 4.657 -1.163) 5.335 9.591 ( 5.769 1.955 -4.487) 7.565 9.708 ( -17.252 4.711 -2.017) 17.997 12.402 ( 6.744 11.657 -4.702) 14.264 13.775 ( 8.587 1.841 0.361) 8.790 14.145 ( 8.402 5.789 -3.071) 10.656 15.256 ( -2.802 -3.172 1.491) 4.487 15.550 ( 3.273 -1.456 -4.750) 5.949 16.759 ( -10.658 -11.014 11.646) 19.249 ======================= Grid point 851 (165/234) ======================= q-point: ( 0.31 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 5.193 -6.031 -1.248) 8.055 4.301 ( 2.199 22.193 -2.179) 22.407 5.994 ( 24.669 7.038 -9.182) 27.247 7.101 ( -5.015 -4.291 5.237) 8.425 7.562 ( -3.142 9.367 2.587) 10.213 8.147 ( -1.223 -7.031 -2.154) 7.454 8.935 ( 0.342 7.575 -1.771) 7.787 9.368 ( -20.454 8.789 -9.811) 24.328 9.811 ( 9.433 0.250 2.670) 9.807 12.621 ( 6.527 10.187 0.030) 12.099 13.903 ( 5.282 -1.728 -0.329) 5.568 14.294 ( 3.186 2.018 4.406) 5.800 15.151 ( -5.437 -0.349 -4.685) 7.186 15.660 ( 8.495 0.557 -3.439) 9.182 16.476 ( -8.459 -11.337 8.936) 16.731 ======================= Grid point 852 (166/234) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 0.052 -7.515 2.904) 8.057 4.495 ( -4.960 20.558 -3.288) 21.402 6.360 ( 9.437 -0.455 -0.821) 9.483 7.011 ( 4.145 -5.170 -1.354) 6.763 7.631 ( 0.306 9.203 -1.414) 9.316 8.100 ( 1.641 -4.013 -1.791) 4.691 8.995 ( -5.692 12.085 -3.997) 13.944 9.147 ( -13.104 6.755 -4.055) 15.291 9.957 ( 6.896 0.252 -2.428) 7.315 12.860 ( 8.475 11.195 3.411) 14.449 13.907 ( 0.033 -7.029 -0.371) 7.039 14.300 ( -2.890 0.151 9.704) 10.127 15.084 ( -4.643 4.077 -8.740) 10.704 15.796 ( 4.537 -1.879 3.338) 5.938 16.267 ( -0.415 -9.828 1.361) 9.931 ======================= Grid point 853 (167/234) ======================= q-point: ( 0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -4.465 -7.219 7.279) 11.182 4.540 ( -12.382 18.210 -3.444) 22.289 6.296 ( -8.230 -7.342 5.419) 12.288 7.154 ( 13.096 -3.769 -4.782) 14.442 7.765 ( 5.237 7.305 -7.058) 11.429 8.104 ( 2.367 -2.908 -1.728) 4.128 8.943 ( -15.308 16.760 -4.097) 23.066 9.075 ( -2.388 2.957 -1.098) 3.956 10.062 ( 5.368 -0.322 -6.490) 8.429 13.130 ( 7.934 10.862 3.180) 13.822 13.790 ( -2.344 -8.476 2.000) 9.019 14.218 ( -5.803 -1.327 10.826) 12.355 15.052 ( -5.294 5.992 -9.205) 12.193 15.707 ( -6.565 -7.372 9.477) 13.684 16.326 ( 12.681 -4.482 -4.827) 14.290 ======================= Grid point 855 (168/234) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -6.884 -4.171 9.458) 12.419 4.427 ( -19.733 15.218 -2.559) 25.051 6.019 ( -12.995 -8.874 2.483) 15.930 7.311 ( 9.168 -4.314 -0.631) 10.152 7.930 ( 6.378 1.918 -10.365) 12.321 8.117 ( 2.499 -2.170 -1.715) 3.728 8.859 ( -11.858 14.477 -1.382) 18.764 9.064 ( -3.848 5.359 -1.157) 6.698 10.147 ( 5.447 -1.208 -9.674) 11.168 13.238 ( -4.876 0.400 -5.628) 7.457 13.773 ( 7.212 0.350 8.830) 11.407 14.063 ( -8.598 -4.075 11.765) 15.131 15.016 ( -5.780 7.023 -7.531) 11.808 15.523 ( -5.599 -5.409 6.739) 10.297 16.528 ( 13.994 -3.872 -2.153) 14.678 ======================= Grid point 856 (169/234) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.332 1.432 9.095) 11.174 4.161 ( -25.974 12.125 -0.679) 28.673 5.672 ( -16.260 -8.768 -1.962) 18.577 7.394 ( 5.262 -4.113 1.111) 6.771 7.951 ( -2.275 -4.859 -6.742) 8.616 8.191 ( 7.456 -0.715 -3.189) 8.141 8.822 ( -7.452 11.402 -0.726) 13.641 9.055 ( -4.320 7.517 1.403) 8.783 10.234 ( 6.535 -2.556 -12.386) 14.235 13.033 ( -11.712 -8.067 -9.517) 17.113 13.840 ( -8.352 -6.459 5.737) 12.016 13.939 ( 2.266 5.948 11.236) 12.913 15.029 ( -0.426 8.205 -2.495) 8.587 15.417 ( -2.710 -1.368 3.018) 4.280 16.727 ( 13.227 -3.927 1.823) 13.918 ======================= Grid point 857 (170/234) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -3.419 7.300 8.029) 11.377 3.778 ( -29.821 10.013 2.176) 31.532 5.267 ( -20.585 -7.592 -6.116) 22.777 7.408 ( 0.840 -4.333 0.308) 4.425 7.797 ( -7.720 -6.378 -2.053) 10.222 8.342 ( 10.429 -0.096 -2.280) 10.676 8.818 ( -3.256 5.817 -1.681) 6.875 9.077 ( -2.637 9.427 5.914) 11.436 10.316 ( 6.759 -4.988 -14.351) 16.629 12.690 ( -15.666 -12.029 -11.685) 22.949 13.636 ( -9.094 -1.659 5.859) 10.945 13.954 ( -6.115 3.840 0.948) 7.283 15.158 ( 4.730 6.148 3.738) 8.611 15.400 ( 0.763 2.502 -0.053) 2.616 16.922 ( 13.542 -3.303 6.202) 15.257 ======================= Grid point 858 (171/234) ======================= q-point: (-0.31 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -1.498 9.582 8.168) 12.680 3.347 ( -29.629 9.977 6.716) 31.977 4.792 ( -26.184 -4.842 -8.686) 28.009 7.319 ( -5.100 -6.815 -1.119) 8.586 7.598 ( -7.344 -3.525 1.529) 8.288 8.565 ( 10.741 6.050 -1.176) 12.384 8.819 ( 3.126 -4.230 -2.764) 5.942 9.151 ( -0.424 9.824 9.652) 13.779 10.358 ( 5.593 -8.365 -14.532) 17.675 12.244 ( -21.420 -11.365 -15.792) 28.937 13.491 ( -7.893 1.975 3.345) 8.797 13.838 ( -10.456 3.597 -4.059) 11.779 15.241 ( 0.132 1.784 4.000) 4.381 15.516 ( 6.874 4.893 0.341) 8.445 17.149 ( 16.010 -2.421 10.536) 19.318 ======================= Grid point 866 (172/234) ======================= q-point: ( 0.19 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 10.099 -3.812 3.982) 11.505 3.955 ( 19.324 22.647 3.248) 29.948 5.213 ( 14.582 17.563 -9.709) 24.807 7.302 ( -5.195 2.718 0.923) 5.935 7.672 ( -1.853 8.626 1.502) 8.949 8.327 ( -8.038 -11.163 -0.926) 13.787 8.848 ( 2.525 4.759 -0.053) 5.387 9.349 ( 15.386 -2.118 5.261) 16.398 10.111 ( -17.337 1.605 -14.793) 22.847 12.476 ( 1.431 17.801 -7.828) 19.499 13.663 ( 7.164 4.430 2.352) 8.746 14.048 ( 8.498 4.717 -1.540) 9.841 15.239 ( 0.600 -3.456 3.188) 4.739 15.475 ( 2.432 -3.998 -2.293) 5.211 16.841 ( -11.296 -10.979 9.059) 18.171 ======================= Grid point 867 (173/234) ======================= q-point: ( 0.25 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 7.840 -4.891 4.342) 10.210 4.450 ( 9.585 24.091 1.589) 25.977 5.663 ( 20.417 10.072 -10.268) 24.974 7.182 ( -7.904 -3.168 3.003) 9.030 7.711 ( -3.298 8.269 0.766) 8.936 8.129 ( -4.185 -6.008 -1.761) 7.531 8.959 ( 3.495 5.695 0.606) 6.709 9.596 ( 12.910 -0.398 -0.941) 12.950 9.824 ( -18.234 5.599 -10.469) 21.759 12.669 ( 2.208 14.999 -2.488) 15.363 13.804 ( 5.071 0.936 0.531) 5.184 14.217 ( 6.970 0.868 5.165) 8.719 15.203 ( -1.165 -1.336 -1.204) 2.143 15.527 ( 6.122 -1.103 -2.843) 6.839 16.531 ( -11.031 -11.332 7.107) 17.338 ======================= Grid point 868 (174/234) ======================= q-point: ( 0.31 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 3.670 -6.124 8.348) 10.984 4.778 ( -0.049 24.184 0.021) 24.184 6.096 ( 19.418 2.902 -6.913) 20.815 6.993 ( -6.854 -5.668 0.707) 8.922 7.735 ( -2.426 6.975 -0.812) 7.429 8.048 ( -0.180 -3.364 -1.722) 3.784 9.070 ( 2.195 5.683 -0.303) 6.099 9.559 ( -17.159 9.164 -11.259) 22.476 9.819 ( 9.050 0.725 -0.737) 9.109 12.877 ( 4.415 15.095 1.666) 15.815 13.842 ( 0.801 -4.088 -0.718) 4.227 14.297 ( 2.516 -1.787 11.560) 11.965 15.187 ( -2.051 3.762 -5.358) 6.860 15.653 ( 8.797 -1.196 -1.269) 8.968 16.233 ( -8.480 -12.421 3.520) 15.446 ======================= Grid point 869 (175/234) ======================= q-point: ( 0.38 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -0.546 -6.048 13.021) 14.368 4.941 ( -8.575 22.832 -1.322) 24.425 6.295 ( 2.349 -5.824 2.800) 6.876 6.922 ( 6.408 -3.659 -7.627) 10.612 7.781 ( 0.719 5.561 -3.536) 6.629 8.035 ( 1.853 -2.856 -1.386) 3.675 9.137 ( -0.520 3.989 -1.439) 4.272 9.383 ( -15.607 13.603 -6.421) 21.676 9.957 ( 6.325 -0.351 -5.643) 8.483 13.132 ( 6.498 15.397 4.085) 17.204 13.757 ( -3.148 -7.240 -1.040) 7.963 14.273 ( -2.277 -2.980 14.564) 15.039 15.197 ( -3.376 6.826 -7.173) 10.462 15.721 ( -1.492 -5.352 7.066) 8.988 16.069 ( 6.588 -9.397 -5.535) 12.741 ======================= Grid point 870 (176/234) ======================= q-point: (-0.56 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -3.318 -3.523 15.221) 15.972 4.934 ( -16.937 19.651 -1.379) 25.979 6.132 ( -9.290 -8.472 2.455) 12.811 7.070 ( 11.967 -4.569 -5.698) 14.020 7.868 ( 3.522 3.017 -6.475) 7.965 8.044 ( 2.510 -3.081 -1.340) 4.194 9.116 ( -5.594 2.658 -1.054) 6.282 9.302 ( -10.867 16.156 -4.022) 19.882 10.039 ( 4.791 -2.244 -8.905) 10.358 13.339 ( -2.017 7.652 -0.547) 7.933 13.660 ( 3.185 -2.853 2.330) 4.870 14.164 ( -6.032 -3.247 16.626) 17.982 15.193 ( -5.606 7.556 -7.704) 12.160 15.560 ( -5.657 -6.469 6.946) 11.050 16.214 ( 15.208 -6.361 -4.673) 17.134 ======================= Grid point 871 (177/234) ======================= q-point: (-0.50 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -3.928 1.470 13.427) 14.067 4.744 ( -24.080 14.431 0.044) 28.073 5.856 ( -13.152 -6.118 -2.854) 14.784 7.209 ( 9.680 -5.620 -0.882) 11.228 7.921 ( 0.799 -2.404 -5.905) 6.425 8.073 ( 4.447 -2.106 -2.172) 5.379 9.028 ( -7.223 3.344 0.590) 7.982 9.299 ( -8.444 15.550 -2.658) 17.894 10.088 ( 5.214 -5.173 -11.393) 13.555 13.171 ( -12.713 -6.654 -5.425) 15.341 13.800 ( 5.795 0.450 0.314) 5.821 14.043 ( -5.133 3.917 19.477) 20.519 15.157 ( -5.390 5.937 -5.520) 9.735 15.450 ( -2.515 -1.060 3.325) 4.302 16.423 ( 15.323 -6.073 -0.459) 16.489 ======================= Grid point 872 (178/234) ======================= q-point: (-0.44 0.19 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -2.796 7.186 8.675) 11.606 4.396 ( -28.385 8.907 1.820) 29.805 5.550 ( -17.270 -1.617 -7.467) 18.884 7.295 ( 6.303 -5.480 1.342) 8.459 7.841 ( -4.504 -5.879 -2.383) 7.780 8.160 ( 7.841 -1.995 -2.466) 8.458 8.938 ( -6.135 2.061 1.033) 6.554 9.315 ( -7.490 15.284 0.926) 17.046 10.117 ( 6.530 -9.718 -13.719) 18.036 12.838 ( -14.497 -10.179 -6.175) 18.759 13.764 ( -5.710 -0.560 2.565) 6.285 14.081 ( -2.128 7.396 8.281) 11.306 15.163 ( 0.566 4.385 -0.634) 4.467 15.432 ( -1.110 3.025 -0.138) 3.226 16.628 ( 14.782 -5.299 4.265) 16.272 ======================= Grid point 883 (179/234) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 4.954 -2.683 12.767) 13.954 4.917 ( 12.764 21.192 2.668) 24.883 5.845 ( 12.357 7.906 -8.118) 16.766 7.090 ( -9.823 -5.446 -0.053) 11.232 7.844 ( -3.037 4.551 -2.172) 5.886 8.041 ( -2.782 -3.259 -2.419) 4.921 9.068 ( 4.069 5.028 0.298) 6.475 9.589 ( 13.803 -0.195 -3.603) 14.267 9.916 ( -11.920 3.367 -10.139) 16.007 13.006 ( 0.541 17.637 -1.530) 17.711 13.804 ( 0.078 -1.563 -0.404) 1.616 14.182 ( 6.735 -3.508 15.274) 17.057 15.222 ( 2.362 3.344 -3.757) 5.557 15.502 ( 6.031 -1.292 -0.715) 6.209 16.302 ( -12.516 -11.200 1.780) 16.890 ======================= Grid point 884 (180/234) ======================= q-point: ( 0.31 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 1.738 -3.598 17.949) 18.389 5.259 ( 0.659 22.765 2.064) 22.868 6.102 ( 11.602 -2.568 -2.640) 12.173 6.886 ( -5.663 -4.743 -6.226) 9.660 7.840 ( -1.771 3.595 -2.608) 4.781 7.988 ( 0.024 -2.801 -2.154) 3.534 9.168 ( 1.742 3.985 -1.516) 4.605 9.707 ( -6.398 5.071 -9.289) 12.366 9.845 ( 3.980 1.720 -3.939) 5.857 13.218 ( 3.118 17.605 2.088) 18.001 13.748 ( -2.374 -4.833 -1.052) 5.486 14.226 ( 2.729 -4.875 18.416) 19.245 15.298 ( -0.071 7.090 -4.546) 8.422 15.614 ( 8.034 -2.580 0.580) 8.457 15.984 ( -9.020 -11.901 -2.712) 15.177 ======================= Grid point 885 (181/234) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( -0.444 -2.522 20.918) 21.074 5.393 ( -11.167 20.794 0.927) 23.620 6.134 ( -0.133 -9.648 3.271) 10.188 6.856 ( 6.221 -3.045 -11.068) 13.057 7.863 ( 0.551 2.744 -3.952) 4.843 7.975 ( 1.643 -2.998 -1.875) 3.899 9.201 ( -1.748 2.323 -2.545) 3.864 9.628 ( -9.410 10.096 -5.533) 14.870 9.934 ( 4.658 -2.182 -7.247) 8.887 13.452 ( 2.819 14.647 2.720) 15.162 13.628 ( -4.444 -5.232 -1.260) 6.980 14.185 ( -0.886 -5.093 20.433) 21.077 15.354 ( -3.052 8.672 -5.735) 10.835 15.598 ( -5.966 -6.127 6.013) 10.454 15.893 ( 11.912 -7.953 -8.256) 16.532 ======================= Grid point 887 (182/234) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -0.907 0.938 19.208) 19.253 5.271 ( -20.734 10.739 2.113) 23.445 5.995 ( -6.820 -2.739 -2.436) 7.743 6.971 ( 10.100 -5.003 -5.735) 12.646 7.891 ( 0.490 -0.860 -4.149) 4.265 7.988 ( 2.954 -1.761 -2.097) 4.028 9.158 ( -4.955 1.392 -1.424) 5.340 9.592 ( -7.630 11.866 -4.549) 14.823 9.957 ( 2.930 -6.175 -9.016) 11.314 13.347 ( -13.952 -5.294 -1.540) 15.002 13.709 ( 6.777 4.314 0.359) 8.042 14.137 ( -1.411 1.916 21.086) 21.220 15.322 ( -7.845 3.062 -6.244) 10.484 15.487 ( -1.713 1.280 3.014) 3.695 16.080 ( 15.908 -6.435 -3.370) 17.488 ======================= Grid point 901 (183/234) ======================= q-point: ( 0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 0.084 -0.715 23.593) 23.604 5.669 ( 8.016 15.907 3.310) 18.117 5.993 ( -1.734 -7.403 1.908) 7.839 6.807 ( -2.836 -2.705 -12.534) 13.133 7.890 ( -0.033 1.522 -3.161) 3.508 7.935 ( -0.865 -2.153 -2.620) 3.500 9.227 ( 1.049 1.635 -3.068) 3.632 9.778 ( 4.537 2.567 -6.258) 8.145 9.866 ( -3.144 -0.266 -6.535) 7.257 13.531 ( 2.528 11.336 0.034) 11.614 13.653 ( -0.104 -4.710 -0.766) 4.773 14.129 ( -0.467 -3.261 24.381) 24.603 15.473 ( 0.632 9.965 -2.084) 10.200 15.554 ( 7.470 -3.219 1.614) 8.293 15.761 ( -9.737 -9.638 -8.748) 16.255 ======================= Grid point 1084 (184/234) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.000 0.000 7.243) 7.243 2.183 ( 0.000 -0.000 7.243) 7.243 3.761 ( -0.000 0.000 14.113) 14.113 6.840 ( 0.000 0.000 -1.780) 1.780 6.840 ( 0.000 -0.000 -1.780) 1.780 8.454 ( 0.000 0.000 -1.438) 1.438 8.454 ( 0.000 -0.000 -1.438) 1.438 10.183 ( 0.000 0.000 0.969) 0.969 10.183 ( 0.000 -0.000 0.969) 0.969 10.612 ( -0.000 0.000 -9.867) 9.867 12.987 ( 0.000 0.000 0.108) 0.108 12.987 ( 0.000 -0.000 0.108) 0.108 15.056 ( 0.000 0.000 -0.591) 0.591 15.884 ( 0.000 0.000 1.807) 1.807 18.825 ( 0.000 0.000 1.558) 1.558 ======================= Grid point 1085 (185/234) ======================= q-point: ( 0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 7.098 4.098 2.061) 8.451 2.390 ( 18.309 10.570 11.605) 24.117 3.703 ( -4.173 -2.409 10.968) 11.980 6.834 ( 0.724 0.418 0.983) 1.290 6.981 ( 9.914 5.724 -5.249) 12.594 8.438 ( -0.681 -0.393 -0.150) 0.801 8.850 ( 29.226 16.874 -0.969) 33.761 10.024 ( -9.682 -5.590 1.992) 11.355 10.115 ( -6.430 -3.712 -1.100) 7.505 10.537 ( -6.286 -3.629 -10.317) 12.614 13.050 ( 5.221 3.014 0.256) 6.034 13.077 ( 6.805 3.929 -0.672) 7.886 15.093 ( 2.794 1.613 -0.390) 3.249 15.888 ( 0.177 0.102 1.565) 1.578 18.670 ( -12.654 -7.306 2.573) 14.836 ======================= Grid point 1086 (186/234) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 11.295 6.521 -2.844) 13.349 2.908 ( 21.348 12.325 17.407) 30.177 3.636 ( 1.628 0.940 -1.673) 2.517 6.875 ( 2.734 1.579 4.076) 5.155 7.243 ( 11.169 6.448 -7.201) 14.770 8.424 ( -0.436 -0.252 0.454) 0.678 9.407 ( 5.415 3.126 9.023) 10.977 9.903 ( -11.092 -6.404 -2.630) 13.075 9.977 ( 9.138 5.276 -4.080) 11.314 10.434 ( 5.779 3.337 -10.533) 12.469 13.215 ( 8.469 4.890 0.217) 9.782 13.260 ( 8.194 4.731 -2.749) 9.852 15.166 ( 3.182 1.837 -0.042) 3.674 15.875 ( -1.730 -0.999 0.570) 2.077 18.282 ( -19.198 -11.084 4.568) 22.633 ======================= Grid point 1087 (187/234) ======================= q-point: ( 0.19 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 14.310 8.262 -6.253) 17.667 3.137 ( -0.523 -0.302 11.237) 11.253 3.989 ( 26.730 15.432 -7.977) 31.879 6.961 ( 4.624 2.669 7.113) 8.894 7.461 ( 7.001 4.042 -5.015) 9.513 8.418 ( -0.139 -0.080 -0.111) 0.195 9.284 ( -10.047 -5.801 -0.996) 11.644 9.624 ( -12.176 -7.030 -3.121) 14.402 9.966 ( -4.865 -2.809 9.977) 11.450 11.055 ( 34.890 20.144 -9.044) 41.290 13.429 ( 9.488 5.478 -0.028) 10.956 13.450 ( 8.210 4.740 -5.336) 10.878 15.238 ( 2.999 1.732 -0.065) 3.464 15.791 ( -5.619 -3.244 -0.914) 6.552 17.823 ( -19.125 -11.042 6.168) 22.928 ======================= Grid point 1088 (188/234) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -2.081 -1.202 -3.803) 4.498 3.165 ( 15.361 8.868 -7.673) 19.326 4.675 ( 29.736 17.168 -6.618) 34.968 7.086 ( 5.810 3.354 9.335) 11.495 7.569 ( 2.478 1.430 0.526) 2.909 8.415 ( -0.146 -0.084 -1.617) 1.626 8.989 ( -14.620 -8.441 -6.939) 18.253 9.357 ( -10.188 -5.882 -2.576) 12.042 9.914 ( 0.413 0.238 14.048) 14.056 11.794 ( 26.737 15.437 -2.116) 30.946 13.648 ( 9.017 5.206 -0.302) 10.417 13.665 ( 10.672 6.161 -7.688) 14.524 15.309 ( 2.889 1.668 -0.502) 3.373 15.612 ( -9.309 -5.375 -2.877) 11.128 17.412 ( -15.738 -9.086 7.153) 19.530 ======================= Grid point 1089 (189/234) ======================= q-point: ( 0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 0.956 0.552 -12.144) 12.194 3.513 ( 13.937 8.047 -7.317) 17.679 5.341 ( 26.844 15.498 -8.207) 32.065 7.223 ( 5.700 3.291 9.847) 11.844 7.584 ( -1.158 -0.669 7.171) 7.295 8.409 ( -0.432 -0.249 -2.852) 2.895 8.639 ( -14.341 -8.280 -6.322) 17.726 9.161 ( -6.377 -3.682 -1.633) 7.543 9.949 ( 1.949 1.125 10.104) 10.352 12.296 ( 16.701 9.643 3.843) 19.664 13.844 ( 7.607 4.392 -0.462) 8.796 13.957 ( 13.724 7.924 -7.750) 17.641 15.264 ( -10.886 -6.285 -2.331) 12.784 15.480 ( 2.684 1.550 -4.684) 5.617 17.082 ( -12.739 -7.355 7.736) 16.620 ======================= Grid point 1090 (190/234) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 2.162 1.248 -13.160) 13.394 3.800 ( 10.241 5.913 -5.812) 13.176 5.923 ( 22.561 13.025 -10.067) 27.928 7.342 ( 4.319 2.493 8.211) 9.607 7.511 ( -5.107 -2.949 12.416) 13.745 8.352 ( -9.653 -5.573 -5.786) 12.558 8.399 ( -0.282 -0.163 -2.412) 2.434 9.055 ( -2.917 -1.684 -1.190) 3.573 9.989 ( 1.363 0.787 4.884) 5.131 12.623 ( 12.235 7.064 7.158) 15.837 13.999 ( 5.507 3.180 -0.469) 6.376 14.259 ( 10.734 6.197 -2.704) 12.686 14.938 ( -14.775 -8.531 -7.455) 18.619 15.629 ( 8.708 5.028 -5.258) 11.347 16.800 ( -11.660 -6.732 7.921) 15.621 ======================= Grid point 1091 (191/234) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 0.167 0.097 -8.460) 8.463 3.981 ( 5.008 2.891 -3.824) 6.932 6.368 ( 13.932 8.044 -7.846) 17.899 7.374 ( -4.904 -2.831 9.592) 11.139 7.423 ( 2.629 1.518 5.115) 5.947 8.194 ( -4.112 -2.374 -4.847) 6.785 8.398 ( 0.166 0.096 -0.884) 0.904 9.010 ( -1.193 -0.689 -1.016) 1.712 10.015 ( 0.975 0.563 0.621) 1.286 12.894 ( 10.846 6.262 7.049) 14.371 14.098 ( 2.864 1.653 -0.352) 3.326 14.377 ( -2.944 -1.700 10.150) 10.704 14.666 ( -5.463 -3.154 -16.928) 18.065 15.855 ( 9.348 5.397 -4.329) 11.630 16.539 ( -9.820 -5.670 6.375) 13.008 ======================= Grid point 1092 (192/234) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -3.579 -2.066 -1.023) 4.258 4.029 ( -0.986 -0.569 -1.710) 2.054 6.471 ( -5.841 -3.373 4.614) 8.173 7.401 ( 8.163 4.713 -7.111) 11.807 7.470 ( 1.445 0.835 1.814) 2.465 8.136 ( -1.212 -0.700 -2.668) 3.013 8.401 ( -0.037 -0.021 -0.105) 0.113 8.991 ( -0.561 -0.324 -0.234) 0.689 10.039 ( 1.154 0.666 -2.495) 2.828 13.089 ( 4.208 2.429 1.094) 4.980 14.130 ( -0.104 -0.060 -0.157) 0.197 14.243 ( -3.408 -1.967 13.900) 14.447 14.627 ( -1.104 -0.637 -13.187) 13.248 15.938 ( -4.858 -2.805 4.977) 7.500 16.449 ( 4.488 2.591 -2.399) 5.710 ======================= Grid point 1094 (193/234) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -6.234 -3.599 6.399) 9.632 3.934 ( -7.065 -4.079 0.575) 8.178 6.187 ( -16.377 -9.455 8.539) 20.749 7.492 ( 0.317 0.183 -1.216) 1.270 7.651 ( 10.190 5.883 -15.782) 19.686 8.140 ( 2.156 1.245 0.376) 2.518 8.393 ( -0.621 -0.359 -0.479) 0.862 8.987 ( 0.372 0.215 1.195) 1.270 10.073 ( 1.770 1.022 -5.177) 5.566 13.048 ( -6.999 -4.041 -7.485) 11.015 14.093 ( -3.063 -1.769 0.095) 3.538 14.260 ( 0.772 0.446 20.816) 20.835 14.609 ( 2.542 1.467 -10.823) 11.214 15.727 ( -10.270 -5.929 7.567) 14.067 16.657 ( 10.743 6.202 -4.574) 13.221 ======================= Grid point 1095 (194/234) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -4.947 -2.856 11.786) 13.097 3.704 ( -12.392 -7.154 3.219) 14.666 5.749 ( -20.723 -11.964 6.317) 24.748 7.477 ( -1.729 -0.998 -4.191) 4.642 7.782 ( 0.668 0.386 -13.070) 13.093 8.282 ( 10.027 5.789 1.086) 11.629 8.378 ( -0.485 -0.280 -0.727) 0.918 9.018 ( 2.568 1.483 2.314) 3.762 10.122 ( 2.280 1.316 -8.266) 8.675 12.815 ( -12.351 -7.131 -10.870) 17.932 13.990 ( -5.663 -3.269 0.375) 6.549 14.105 ( -12.331 -7.119 12.478) 18.933 14.843 ( 14.815 8.554 1.224) 17.151 15.520 ( -6.976 -4.027 5.243) 9.611 16.909 ( 10.674 6.162 -2.678) 12.612 ======================= Grid point 1096 (195/234) ======================= q-point: (-0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 1.145 0.661 13.930) 13.993 3.368 ( -15.859 -9.156 6.230) 19.343 5.218 ( -24.725 -14.275 3.172) 28.726 7.404 ( -4.530 -2.615 -6.775) 8.559 7.725 ( -4.705 -2.716 -6.205) 8.247 8.379 ( 0.629 0.363 -0.394) 0.826 8.564 ( 13.221 7.633 1.749) 15.366 9.116 ( 5.942 3.431 2.638) 7.351 10.172 ( 1.813 1.047 -11.604) 11.791 12.457 ( -19.122 -11.040 -11.378) 24.839 13.787 ( -13.179 -7.609 8.663) 17.511 13.832 ( -7.655 -4.419 0.616) 8.860 15.190 ( 12.757 7.365 4.492) 15.400 15.408 ( -1.916 -1.106 2.509) 3.345 17.165 ( 11.558 6.673 -0.392) 13.352 ======================= Grid point 1097 (196/234) ======================= q-point: (-0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 8.741 5.046 13.212) 16.626 2.983 ( -16.492 -9.521 9.298) 21.192 4.589 ( -28.927 -16.701 0.400) 33.405 7.273 ( -6.376 -3.681 -7.937) 10.826 7.581 ( -7.396 -4.270 -0.477) 8.553 8.405 ( 1.419 0.819 -0.817) 1.831 8.886 ( 14.205 8.201 3.751) 16.825 9.299 ( 9.551 5.514 2.921) 11.409 10.200 ( 0.559 0.323 -13.250) 13.266 11.887 ( -29.668 -17.129 -11.575) 36.160 13.533 ( -8.381 -4.839 5.260) 11.015 13.637 ( -8.907 -5.143 0.712) 10.310 15.282 ( -1.720 -0.993 2.111) 2.899 15.548 ( 10.192 5.884 3.216) 12.200 17.468 ( 14.615 8.438 1.684) 16.959 ======================= Grid point 1098 (197/234) ======================= q-point: (-0.19 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -14.028 -8.099 11.772) 20.023 3.174 ( 12.726 7.348 12.446) 19.258 3.873 ( -31.806 -18.363 -1.845) 36.773 7.120 ( -6.357 -3.670 -7.534) 10.518 7.383 ( -9.466 -5.465 2.721) 11.264 8.437 ( 1.243 0.718 -2.052) 2.504 9.227 ( 14.968 8.642 3.756) 17.687 9.554 ( 11.954 6.902 3.425) 14.222 10.180 ( -4.018 -2.320 -7.821) 9.094 11.108 ( -34.274 -19.788 -16.013) 42.693 13.371 ( -6.105 -3.524 2.568) 7.502 13.422 ( -9.253 -5.342 0.593) 10.701 15.231 ( -2.460 -1.420 0.620) 2.907 15.748 ( 6.567 3.791 3.136) 8.206 17.854 ( 18.154 10.481 3.146) 21.197 ======================= Grid point 1099 (198/234) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 617 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -9.196 -5.310 12.678) 16.538 3.123 ( -30.647 -17.694 2.608) 35.484 3.471 ( 11.261 6.501 8.280) 15.415 6.986 ( -4.993 -2.883 -6.124) 8.411 7.145 ( -10.458 -6.038 2.342) 12.301 8.459 ( 0.558 0.322 -2.870) 2.941 9.552 ( 2.930 1.691 -5.775) 6.693 9.794 ( -21.457 -12.388 11.177) 27.181 9.838 ( 11.715 6.764 3.528) 13.980 10.592 ( -5.932 -3.425 -22.657) 23.670 13.214 ( -8.255 -4.766 0.313) 9.537 13.224 ( -6.667 -3.849 0.956) 7.758 15.166 ( -3.096 -1.787 -0.038) 3.575 15.855 ( 2.663 1.538 2.472) 3.946 18.294 ( 18.558 10.714 3.439) 21.703 ======================= Grid point 1100 (199/234) ======================= q-point: (-0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 616 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -3.401 -1.963 11.157) 11.828 2.485 ( -22.006 -12.705 2.940) 25.580 3.685 ( 6.458 3.729 12.365) 14.440 6.890 ( -3.117 -1.800 -4.149) 5.493 6.924 ( -7.531 -4.348 0.133) 8.697 8.463 ( -0.151 -0.087 -2.591) 2.597 8.848 ( -31.496 -18.184 -0.992) 36.382 10.015 ( 13.859 8.002 2.408) 16.183 10.075 ( 7.903 4.563 2.714) 9.520 10.582 ( 1.657 0.956 -14.015) 14.145 13.052 ( -5.207 -3.006 0.081) 6.013 13.068 ( -6.035 -3.484 0.223) 6.973 15.093 ( -2.814 -1.625 -0.411) 3.275 15.884 ( 0.234 0.135 1.896) 1.915 18.671 ( 12.446 7.186 2.409) 14.572 ======================= Grid point 1102 (200/234) ======================= q-point: ( 0.06 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 10.829 6.305 7.320) 14.513 2.860 ( 9.238 30.004 7.021) 32.169 3.587 ( -0.066 -8.616 6.070) 10.539 6.901 ( -1.359 5.507 0.222) 5.676 7.130 ( 9.230 8.642 -3.984) 13.257 8.462 ( -0.574 1.882 -1.509) 2.479 9.369 ( 8.916 25.483 2.682) 27.131 9.804 ( -2.196 -16.132 3.179) 16.588 9.988 ( 3.314 -0.889 -1.385) 3.700 10.508 ( -5.803 1.748 -15.223) 16.385 13.137 ( 3.711 5.649 0.251) 6.763 13.221 ( 6.017 8.884 -0.726) 10.754 15.146 ( 1.833 3.205 -0.135) 3.694 15.876 ( -0.247 -1.664 1.590) 2.315 18.403 ( -10.648 -17.772 3.652) 21.037 ======================= Grid point 1103 (201/234) ======================= q-point: ( 0.12 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 13.061 8.748 0.147) 15.721 3.211 ( -1.377 11.252 16.338) 19.885 3.705 ( 20.184 10.319 -9.106) 24.430 6.959 ( 0.993 6.323 3.525) 7.307 7.367 ( 8.438 5.676 -4.501) 11.121 8.482 ( -1.618 5.346 -1.014) 5.677 9.340 ( -8.741 -11.414 2.802) 14.647 9.626 ( -1.366 -12.315 3.856) 12.977 10.119 ( -7.877 2.727 -1.710) 8.509 10.763 ( 23.967 27.665 -12.100) 38.551 13.293 ( 7.946 4.352 -0.604) 9.080 13.421 ( 6.122 9.048 -2.204) 11.145 15.211 ( 2.269 2.417 0.077) 3.316 15.825 ( -2.619 -4.047 0.396) 4.837 17.988 ( -15.212 -16.922 5.158) 23.331 ======================= Grid point 1104 (202/234) ======================= q-point: ( 0.19 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 9.796 2.699 -3.187) 10.649 3.234 ( -1.053 11.567 1.286) 11.686 4.325 ( 28.760 17.545 -5.986) 34.217 7.060 ( 2.842 6.598 6.236) 9.512 7.525 ( 4.741 2.781 -1.431) 5.679 8.497 ( -4.294 6.834 -1.384) 8.189 9.036 ( -7.428 -17.411 -1.700) 19.005 9.500 ( -6.192 -2.774 -2.548) 7.248 9.951 ( -7.174 -0.930 8.090) 10.853 11.511 ( 26.359 23.336 -5.416) 35.619 13.492 ( 9.889 3.728 -2.215) 10.798 13.623 ( 6.683 9.241 -3.450) 11.915 15.276 ( 2.650 1.881 -0.127) 3.253 15.695 ( -6.390 -6.085 -1.308) 8.920 17.564 ( -14.583 -14.026 6.270) 21.183 ======================= Grid point 1105 (203/234) ======================= q-point: ( 0.25 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 3.113 -2.104 -7.980) 8.820 3.481 ( 6.944 19.756 -5.821) 21.735 4.999 ( 28.658 14.594 -6.478) 32.806 7.182 ( 3.731 5.503 7.875) 10.307 7.595 ( 0.767 1.567 3.788) 4.171 8.444 ( -5.957 -0.875 -1.585) 6.226 8.776 ( -6.721 -7.061 -3.526) 10.367 9.317 ( -12.380 0.996 -6.528) 14.031 9.903 ( 2.153 -1.814 12.017) 12.342 12.100 ( 18.767 14.349 0.893) 23.641 13.709 ( 10.411 3.006 -2.225) 11.063 13.859 ( 9.155 10.507 -5.352) 14.928 15.327 ( -0.209 -0.569 -0.325) 0.688 15.501 ( -6.474 -4.595 -4.038) 8.907 17.201 ( -11.925 -11.591 7.021) 18.052 ======================= Grid point 1106 (204/234) ======================= q-point: ( 0.31 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 3.347 0.405 -11.558) 12.040 3.792 ( 5.382 18.651 -5.929) 20.297 5.615 ( 26.206 11.429 -8.523) 29.833 7.285 ( 3.234 1.482 8.252) 8.986 7.585 ( -3.363 1.351 9.027) 9.728 8.289 ( -3.587 -9.840 -1.509) 10.582 8.655 ( -9.528 8.975 -5.408) 14.162 9.138 ( -8.234 0.891 -3.457) 8.974 9.941 ( 3.458 -1.894 7.387) 8.373 12.485 ( 12.728 9.231 5.580) 16.684 13.896 ( 8.057 1.192 -0.887) 8.193 14.150 ( 10.867 10.102 -4.961) 15.645 15.125 ( -13.906 -6.349 -4.272) 15.872 15.529 ( 6.748 2.655 -4.517) 8.543 16.899 ( -10.031 -10.816 7.509) 16.552 ======================= Grid point 1107 (205/234) ======================= q-point: ( 0.38 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 1.978 1.042 -9.364) 9.627 4.028 ( 1.018 16.023 -4.595) 16.700 6.139 ( 21.285 8.332 -9.550) 24.773 7.288 ( 0.089 -7.964 9.449) 12.358 7.537 ( -4.110 5.069 8.079) 10.386 8.167 ( -0.483 -6.536 -1.949) 6.838 8.594 ( -10.489 13.349 -4.621) 17.594 9.049 ( -3.413 0.915 -1.487) 3.834 9.976 ( 2.731 -1.882 2.448) 4.123 12.775 ( 10.915 8.161 7.439) 15.527 14.006 ( 4.992 -2.832 -0.516) 5.763 14.387 ( 4.945 6.085 2.553) 8.246 14.822 ( -13.503 -2.044 -10.531) 17.246 15.721 ( 10.714 3.781 -5.207) 12.498 16.620 ( -9.068 -11.035 7.344) 16.061 ======================= Grid point 1108 (206/234) ======================= q-point: ( 0.44 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( -1.713 -0.072 -3.323) 3.739 4.144 ( -4.606 12.831 -2.846) 13.927 6.460 ( 6.266 0.994 -2.370) 6.772 7.205 ( 5.232 -9.283 2.641) 10.978 7.554 ( -1.519 7.047 2.139) 7.519 8.126 ( 0.495 -2.665 -1.715) 3.208 8.557 ( -9.114 13.138 -2.101) 16.127 9.018 ( -1.845 1.381 -0.728) 2.417 10.002 ( 2.411 -1.754 -1.258) 3.236 13.028 ( 7.903 6.936 4.940) 11.618 14.006 ( 2.573 -9.194 0.132) 9.548 14.407 ( -6.515 4.314 11.951) 14.279 14.686 ( -4.180 4.199 -15.691) 16.773 15.922 ( 5.616 0.692 -0.745) 5.708 16.396 ( -1.989 -8.076 2.825) 8.784 ======================= Grid point 1109 (207/234) ======================= q-point: (-0.50 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -5.719 -1.410 3.700) 6.956 4.123 ( -10.763 9.540 -0.865) 14.408 6.340 ( -11.750 -9.194 7.696) 16.788 7.329 ( 12.760 -4.942 -6.554) 15.172 7.628 ( 1.937 7.645 -5.879) 9.836 8.118 ( 0.757 -1.027 -1.030) 1.640 8.537 ( -7.966 12.505 -0.177) 14.828 9.006 ( -1.328 1.765 0.375) 2.241 10.029 ( 2.744 -1.559 -4.046) 5.131 13.120 ( -3.240 0.466 -3.704) 4.943 13.984 ( 6.154 -7.820 2.854) 10.352 14.346 ( -5.578 4.943 15.861) 17.525 14.668 ( -3.588 5.406 -12.687) 14.250 15.827 ( -8.593 -7.476 7.383) 13.573 16.483 ( 12.666 0.453 -4.688) 13.513 ======================= Grid point 1110 (208/234) ======================= q-point: (-0.44 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -7.189 -1.361 9.322) 11.851 3.962 ( -16.699 6.571 1.517) 18.009 5.961 ( -17.598 -12.611 7.065) 22.774 7.440 ( 4.546 -3.599 -4.151) 7.131 7.756 ( 3.696 3.369 -12.836) 13.776 8.152 ( 4.917 -0.295 -0.454) 4.946 8.535 ( -6.835 13.245 0.977) 14.937 9.014 ( 0.086 2.405 1.860) 3.042 10.069 ( 3.474 -1.444 -6.834) 7.801 12.955 ( -10.937 -5.135 -9.484) 15.360 13.995 ( 0.520 -5.887 0.644) 5.945 14.249 ( -9.196 -2.028 15.866) 18.450 14.753 ( 5.887 10.991 -4.064) 13.114 15.600 ( -7.812 -6.187 6.267) 11.772 16.734 ( 13.691 1.552 -3.612) 14.244 ======================= Grid point 1111 (209/234) ======================= q-point: (-0.38 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -3.957 0.604 11.970) 12.621 3.680 ( -21.342 4.622 4.409) 22.277 5.481 ( -21.547 -14.106 3.962) 26.057 7.432 ( -1.321 -3.020 -5.187) 6.146 7.770 ( -2.731 -1.311 -8.565) 9.085 8.287 ( 9.303 -0.075 -1.387) 9.406 8.582 ( -2.640 13.545 1.494) 13.881 9.069 ( 2.967 3.682 3.419) 5.835 10.118 ( 3.824 -1.707 -10.176) 11.004 12.659 ( -15.360 -8.319 -10.708) 20.489 13.865 ( -7.121 -8.069 2.884) 11.142 14.012 ( -13.013 -1.784 7.640) 15.196 15.047 ( 12.619 10.355 2.915) 16.582 15.446 ( -4.355 -2.984 3.556) 6.365 16.988 ( 13.526 1.915 -1.281) 13.721 ======================= Grid point 1112 (210/234) ======================= q-point: (-0.31 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 2.552 2.036 11.076) 11.547 3.332 ( -22.804 5.324 7.881) 24.708 4.916 ( -26.159 -14.782 0.816) 30.057 7.340 ( -5.124 -3.533 -6.605) 9.076 7.664 ( -6.228 -3.089 -2.811) 7.499 8.426 ( 2.909 5.036 -0.150) 5.818 8.736 ( 8.619 6.788 0.698) 10.994 9.196 ( 6.430 4.934 5.491) 9.790 10.162 ( 3.272 -2.075 -13.145) 13.704 12.216 ( -24.153 -12.142 -10.217) 28.899 13.628 ( -9.349 -6.396 5.294) 12.504 13.792 ( -11.274 -0.683 1.448) 11.387 15.289 ( 2.112 1.553 3.422) 4.310 15.437 ( 7.219 4.428 2.003) 8.703 17.262 ( 15.249 3.033 1.035) 15.582 ======================= Grid point 1113 (211/234) ======================= q-point: (-0.25 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -9.918 -2.586 7.864) 12.919 3.134 ( -2.432 11.562 12.179) 16.968 4.266 ( -30.996 -13.899 -1.866) 34.021 7.194 ( -6.642 -4.112 -6.119) 9.923 7.503 ( -8.410 -2.872 0.834) 8.926 8.491 ( -2.252 6.884 -0.968) 7.307 9.012 ( 16.876 2.734 0.818) 17.116 9.380 ( 9.246 3.183 7.420) 12.275 10.193 ( 2.160 -1.250 -12.875) 13.114 11.560 ( -34.835 -13.615 -10.953) 38.972 13.433 ( -7.248 -4.021 3.095) 8.848 13.592 ( -10.988 -0.128 0.191) 10.991 15.263 ( -2.358 -0.693 1.110) 2.697 15.653 ( 8.808 4.171 2.664) 10.103 17.598 ( 18.866 4.173 2.920) 19.542 ======================= Grid point 1114 (212/234) ======================= q-point: (-0.19 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -15.550 1.727 8.980) 18.040 3.318 ( 6.582 2.562 18.084) 19.414 3.581 ( -30.821 -6.102 -9.063) 32.701 7.036 ( -5.983 -4.577 -3.337) 8.239 7.317 ( -10.742 -0.309 0.130) 10.748 8.494 ( -2.838 2.978 -2.137) 4.636 9.365 ( 18.560 3.040 -0.766) 18.823 9.565 ( 10.550 -2.083 9.263) 14.193 10.177 ( -7.659 1.293 -4.577) 9.016 10.802 ( -31.696 -9.643 -17.093) 37.280 13.274 ( -6.988 -2.922 1.174) 7.664 13.405 ( -10.899 0.795 -0.323) 10.932 15.210 ( -3.046 -0.576 0.249) 3.109 15.806 ( 5.106 1.969 2.174) 5.889 18.001 ( 21.927 3.543 3.933) 22.557 ======================= Grid point 1119 (213/234) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 7.800 6.825 2.455) 10.651 3.305 ( 4.969 3.679 9.064) 10.972 4.114 ( 17.080 26.286 -5.247) 31.784 7.111 ( 0.339 8.107 -0.147) 8.116 7.482 ( 4.490 5.988 -0.525) 7.503 8.599 ( 3.524 4.989 -1.702) 6.341 8.997 ( -11.751 -18.514 -0.129) 21.929 9.470 ( 2.481 -5.528 7.939) 9.987 10.112 ( -9.526 -1.968 -7.954) 12.565 11.399 ( 17.216 32.173 -8.190) 37.398 13.404 ( 5.532 6.440 0.437) 8.501 13.603 ( 6.213 8.990 -1.671) 11.056 15.259 ( 1.597 2.181 0.409) 2.734 15.708 ( -2.996 -7.456 0.807) 8.076 17.631 ( -11.192 -17.582 4.636) 21.351 ======================= Grid point 1120 (214/234) ======================= q-point: ( 0.19 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 3.828 -1.273 -2.209) 4.600 3.579 ( 8.681 20.697 0.611) 22.452 4.692 ( 22.498 18.451 -4.699) 29.473 7.203 ( 1.202 6.765 2.417) 7.284 7.594 ( 2.302 4.230 1.468) 5.035 8.585 ( -12.822 -7.353 -0.888) 14.808 8.738 ( 3.779 -2.150 -0.101) 4.349 9.477 ( -0.519 -0.685 -1.540) 1.764 9.911 ( -8.189 -2.459 1.149) 8.627 11.966 ( 15.710 21.177 -2.799) 26.516 13.584 ( 7.885 5.071 -0.903) 9.418 13.819 ( 7.626 10.149 -2.815) 13.003 15.308 ( 1.797 1.051 0.362) 2.113 15.554 ( -5.448 -7.422 -1.382) 9.310 17.270 ( -11.082 -14.664 5.317) 19.135 ======================= Grid point 1121 (215/234) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 4.435 0.401 -6.167) 7.607 3.942 ( 5.004 25.078 -2.965) 25.744 5.268 ( 25.152 12.043 -5.938) 28.512 7.270 ( 0.566 2.156 4.628) 5.137 7.648 ( -0.783 3.819 4.674) 6.086 8.291 ( -7.808 -10.644 0.140) 13.202 8.816 ( 0.282 7.212 -1.462) 7.365 9.374 ( -12.420 4.248 -9.768) 16.362 9.842 ( 3.182 -3.764 8.468) 9.798 12.378 ( 11.832 13.434 2.351) 18.055 13.767 ( 7.975 2.486 -1.161) 8.434 14.080 ( 9.527 11.032 -3.399) 14.967 15.261 ( -7.549 -5.228 -1.038) 9.242 15.460 ( 2.394 0.112 -3.465) 4.214 16.945 ( -9.742 -13.625 5.965) 17.780 ======================= Grid point 1122 (216/234) ======================= q-point: ( 0.31 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 3.831 1.990 -6.187) 7.545 4.239 ( -0.265 24.656 -3.555) 24.912 5.810 ( 24.610 7.973 -7.918) 27.054 7.238 ( -2.472 -6.182 7.277) 9.863 7.651 ( -3.181 4.611 5.785) 8.053 8.121 ( -1.805 -6.165 -0.246) 6.428 8.882 ( -3.719 11.446 -3.010) 12.406 9.198 ( -11.827 5.457 -6.236) 14.441 9.884 ( 4.619 -3.333 4.412) 7.205 12.686 ( 9.944 10.975 5.879) 15.934 13.891 ( 5.091 -1.860 -0.778) 5.476 14.346 ( 7.980 8.900 -0.570) 11.967 15.033 ( -11.750 -2.337 -5.572) 13.213 15.575 ( 8.499 1.772 -4.202) 9.645 16.644 ( -8.672 -14.250 6.475) 17.894 ======================= Grid point 1123 (217/234) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.770 1.754 -2.351) 3.032 4.424 ( -5.966 22.360 -2.982) 23.334 6.264 ( 18.362 4.059 -7.316) 20.178 7.080 ( -3.070 -11.654 7.102) 13.988 7.651 ( -2.322 5.354 2.871) 6.504 8.078 ( 1.317 -3.067 -0.271) 3.349 8.907 ( -9.643 16.398 -3.781) 19.396 9.091 ( -5.445 3.399 -1.863) 6.684 9.924 ( 3.570 -2.902 -0.007) 4.601 12.965 ( 9.054 10.812 6.404) 15.488 13.892 ( 0.663 -7.619 -1.027) 7.716 14.499 ( 0.770 4.815 7.831) 9.225 14.857 ( -8.600 4.811 -11.620) 15.235 15.775 ( 11.242 1.486 -4.145) 12.074 16.356 ( -6.530 -14.776 5.747) 17.146 ======================= Grid point 1124 (218/234) ======================= q-point: ( 0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -3.607 0.671 3.089) 4.796 4.478 ( -12.069 19.456 -1.918) 22.976 6.403 ( -3.829 -6.642 3.775) 8.545 7.040 ( 11.825 -6.582 -4.450) 14.246 7.681 ( -0.260 5.313 -1.541) 5.538 8.080 ( 1.652 -2.314 -0.561) 2.898 8.885 ( -12.316 18.164 -1.417) 21.991 9.061 ( -2.065 2.652 -0.321) 3.376 9.953 ( 3.134 -2.805 -3.180) 5.273 13.173 ( 1.488 7.176 1.051) 7.404 13.814 ( 2.770 -8.467 0.483) 8.922 14.489 ( -5.186 3.120 14.248) 15.481 14.815 ( -4.955 8.007 -13.053) 16.095 15.866 ( -3.284 -6.338 4.884) 8.649 16.238 ( 10.592 -6.872 -3.033) 12.985 ======================= Grid point 1126 (219/234) ======================= q-point: (-0.50 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -6.972 0.248 7.577) 10.299 4.394 ( -18.248 16.417 -0.255) 24.547 6.113 ( -14.415 -12.788 6.463) 20.325 7.237 ( 13.071 -4.122 -6.557) 15.194 7.747 ( 1.763 4.251 -6.753) 8.172 8.087 ( 2.011 -2.108 -1.053) 3.098 8.855 ( -11.069 16.519 1.169) 19.919 9.063 ( -1.694 4.468 0.801) 4.845 9.981 ( 3.510 -3.145 -5.714) 7.407 13.106 ( -10.515 -1.759 -6.920) 12.710 13.863 ( 7.265 -4.100 1.967) 8.571 14.396 ( -7.987 0.836 16.470) 18.323 14.836 ( -1.929 9.792 -8.565) 13.152 15.662 ( -7.368 -8.138 6.428) 12.722 16.463 ( 16.501 -2.343 -4.248) 17.199 ======================= Grid point 1127 (220/234) ======================= q-point: (-0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -7.015 1.285 9.303) 11.722 4.176 ( -23.561 13.511 2.102) 27.242 5.688 ( -18.172 -13.713 3.533) 23.038 7.364 ( 5.702 -3.737 -4.147) 7.980 7.794 ( -0.472 0.632 -7.809) 7.849 8.137 ( 6.491 -0.912 -1.823) 6.803 8.830 ( -8.525 12.274 1.638) 15.033 9.103 ( -0.628 8.069 3.311) 8.744 10.013 ( 4.316 -4.207 -8.527) 10.442 12.843 ( -14.214 -5.843 -8.821) 17.719 13.874 ( -1.494 -5.628 0.817) 5.880 14.222 ( -11.736 -0.130 11.520) 16.445 14.981 ( 6.590 10.346 -0.884) 12.299 15.491 ( -4.758 -4.200 3.973) 7.487 16.729 ( 16.030 -1.636 -1.851) 16.219 ======================= Grid point 1128 (221/234) ======================= q-point: (-0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -3.185 2.881 7.797) 8.902 3.856 ( -26.357 11.034 4.740) 28.964 5.203 ( -22.094 -12.185 0.094) 25.231 7.366 ( -1.193 -3.354 -3.988) 5.346 7.735 ( -4.734 -1.989 -3.711) 6.336 8.306 ( 12.050 1.312 -1.232) 12.183 8.799 ( -5.554 5.855 -0.052) 8.071 9.207 ( 1.263 10.826 6.837) 12.866 10.044 ( 5.054 -5.944 -11.503) 13.900 12.487 ( -18.738 -8.024 -7.848) 21.842 13.726 ( -7.763 -4.666 2.970) 9.532 14.006 ( -12.775 0.739 3.542) 13.277 15.223 ( 8.834 6.094 2.501) 11.020 15.411 ( -1.015 -0.137 1.381) 1.719 16.998 ( 16.136 -0.665 0.789) 16.169 ======================= Grid point 1129 (222/234) ======================= q-point: (-0.31 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.105 2.761 4.503) 5.283 3.509 ( -23.116 9.013 6.987) 25.776 4.668 ( -27.132 -7.632 -2.670) 28.312 7.266 ( -5.693 -3.582 -3.385) 7.530 7.612 ( -6.580 -1.803 -0.188) 6.825 8.563 ( 9.801 7.346 0.821) 12.276 8.764 ( 2.594 -3.901 -2.292) 5.216 9.348 ( 2.461 9.356 8.950) 13.180 10.073 ( 5.960 -7.081 -12.258) 15.360 12.007 ( -27.265 -7.049 -6.837) 28.980 13.549 ( -8.547 -1.083 2.320) 8.922 13.795 ( -11.964 0.769 -0.398) 11.996 15.296 ( -1.495 0.131 1.491) 2.115 15.529 ( 9.320 3.389 1.017) 9.969 17.293 ( 17.973 0.089 3.073) 18.234 ======================= Grid point 1137 (223/234) ======================= q-point: ( 0.19 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 4.736 0.678 0.918) 4.872 4.023 ( 15.743 22.153 2.317) 27.276 5.069 ( 12.437 18.702 -3.739) 22.769 7.304 ( -1.448 2.560 -0.307) 2.957 7.694 ( 0.658 5.293 0.568) 5.364 8.317 ( -7.895 -12.612 -0.113) 14.880 8.842 ( 3.587 6.241 -0.284) 7.204 9.438 ( 7.587 -3.388 2.862) 8.788 9.880 ( -10.230 -0.284 -6.528) 12.139 12.368 ( 7.383 18.630 -2.626) 20.211 13.692 ( 4.615 5.430 0.574) 7.149 14.034 ( 8.416 10.812 -0.155) 13.702 15.286 ( -1.775 -4.767 1.221) 5.232 15.433 ( 0.061 -2.662 -1.271) 2.950 16.975 ( -9.917 -14.409 3.450) 17.829 ======================= Grid point 1138 (224/234) ======================= q-point: ( 0.25 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 5.217 2.885 -0.570) 5.989 4.469 ( 6.358 26.063 -0.169) 26.827 5.495 ( 19.179 10.570 -5.442) 22.564 7.245 ( -4.426 -4.654 2.886) 7.041 7.738 ( -1.345 4.470 1.881) 5.033 8.107 ( -4.125 -6.969 -0.283) 8.103 8.963 ( 2.583 6.533 -0.125) 7.026 9.469 ( -5.946 4.351 -7.600) 10.586 9.777 ( 0.981 -1.932 2.881) 3.605 12.663 ( 7.343 14.941 1.677) 16.733 13.803 ( 3.821 0.912 -0.422) 3.951 14.293 ( 8.614 9.658 1.318) 13.008 15.157 ( -5.766 -4.418 -2.461) 7.670 15.473 ( 4.403 0.886 -1.971) 4.904 16.652 ( -9.724 -15.095 4.026) 18.402 ======================= Grid point 1139 (225/234) ======================= q-point: ( 0.31 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( 3.192 3.192 1.047) 4.634 4.765 ( -2.957 26.540 -1.073) 26.726 5.943 ( 21.800 5.142 -6.824) 23.414 7.060 ( -7.018 -10.679 4.891) 13.683 7.743 ( -2.591 3.993 1.703) 5.055 8.026 ( 0.380 -3.714 -0.316) 3.747 9.060 ( 1.100 5.909 -0.651) 6.046 9.370 ( -12.130 10.601 -6.676) 17.438 9.821 ( 4.787 -2.566 1.366) 5.600 12.944 ( 7.764 14.547 4.588) 17.116 13.824 ( 0.217 -4.416 -0.914) 4.515 14.501 ( 4.981 6.206 6.162) 10.065 15.033 ( -6.344 2.187 -7.586) 10.128 15.597 ( 9.026 0.354 -3.316) 9.622 16.329 ( -8.744 -16.488 4.612) 19.225 ======================= Grid point 1140 (226/234) ======================= q-point: ( 0.38 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -0.713 2.248 4.532) 5.109 4.907 ( -10.285 24.645 -1.410) 26.743 6.296 ( 12.013 -1.342 -2.986) 12.451 6.846 ( -0.917 -10.695 1.026) 10.783 7.743 ( -1.513 3.739 -0.221) 4.039 8.018 ( 2.048 -3.220 -0.307) 3.828 9.115 ( -0.616 3.720 -0.748) 3.844 9.285 ( -12.062 14.963 -3.039) 19.458 9.868 ( 3.427 -2.495 -2.109) 4.735 13.216 ( 5.561 13.645 4.023) 15.274 13.731 ( -2.528 -7.604 -1.448) 8.143 14.578 ( -1.313 2.900 13.022) 13.405 14.985 ( -4.950 7.183 -11.803) 14.677 15.779 ( 9.425 -1.078 -1.838) 9.663 16.037 ( -2.854 -15.957 2.672) 16.429 ======================= Grid point 1141 (227/234) ======================= q-point: (-0.56 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -4.810 1.424 7.564) 9.077 4.903 ( -16.947 21.552 -1.051) 27.437 6.206 ( -10.163 -12.093 4.636) 16.462 6.938 ( 15.342 -3.817 -6.520) 17.101 7.770 ( 0.268 3.499 -2.911) 4.560 8.022 ( 2.239 -3.379 -0.726) 4.118 9.107 ( -3.793 2.402 0.046) 4.490 9.257 ( -9.391 16.665 -0.362) 19.133 9.892 ( 2.694 -3.245 -4.538) 6.195 13.293 ( -9.552 3.619 -3.317) 10.740 13.699 ( 6.957 -2.098 1.611) 7.443 14.533 ( -5.821 1.436 16.625) 17.673 14.984 ( -4.137 7.993 -11.109) 14.298 15.693 ( -6.313 -9.303 5.679) 12.596 16.121 ( 17.589 -4.917 -4.493) 18.808 ======================= Grid point 1142 (228/234) ======================= q-point: (-0.50 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -7.075 1.698 8.098) 10.887 4.747 ( -23.015 16.909 0.423) 28.562 5.846 ( -14.987 -12.457 2.174) 19.609 7.160 ( 12.744 -3.535 -4.024) 13.823 7.807 ( 0.169 1.737 -4.566) 4.888 8.036 ( 3.454 -2.594 -1.246) 4.495 9.044 ( -6.127 2.931 0.871) 6.848 9.285 ( -5.944 15.290 1.601) 16.483 9.899 ( 2.875 -5.171 -6.517) 8.802 13.054 ( -15.245 -3.237 -5.770) 16.618 13.808 ( 4.267 -1.618 0.589) 4.601 14.415 ( -9.141 1.520 14.281) 17.024 15.018 ( -0.054 7.228 -6.034) 9.416 15.525 ( -4.256 -4.650 3.666) 7.292 16.399 ( 18.279 -3.504 -2.132) 18.733 ======================= Grid point 1143 (229/234) ======================= q-point: (-0.44 0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -6.222 2.891 5.429) 8.749 4.442 ( -26.989 10.014 2.172) 28.869 5.453 ( -18.029 -7.236 -1.501) 19.484 7.293 ( 6.028 -3.092 -1.482) 6.935 7.786 ( -2.908 -1.357 -2.685) 4.184 8.119 ( 8.398 -0.881 -1.387) 8.557 8.955 ( -6.809 1.969 0.615) 7.115 9.355 ( -2.902 13.400 3.435) 14.134 9.889 ( 3.755 -7.972 -8.154) 12.006 12.728 ( -16.728 -4.970 -4.443) 18.008 13.792 ( -3.242 -1.924 0.707) 3.836 14.244 ( -12.274 2.043 6.069) 13.844 15.139 ( 6.385 4.599 -0.864) 7.916 15.442 ( -2.597 -0.419 1.119) 2.859 16.685 ( 17.627 -2.245 0.829) 17.789 ======================= Grid point 1154 (230/234) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 4.818 4.306 5.291) 8.352 4.962 ( 12.701 21.531 1.311) 25.032 5.709 ( 9.564 11.067 -3.924) 15.144 7.096 ( -8.558 -9.598 0.262) 12.862 7.809 ( -0.806 2.219 -0.993) 2.561 8.003 ( -2.346 -3.610 -1.062) 4.435 9.073 ( 2.976 4.351 0.146) 5.273 9.524 ( 6.261 1.103 -2.015) 6.669 9.779 ( -4.282 1.719 -3.240) 5.638 12.985 ( 5.867 16.483 -0.517) 17.504 13.795 ( -0.665 -1.964 -0.268) 2.090 14.459 ( 6.716 6.521 9.496) 13.334 15.099 ( -0.124 -1.010 -5.976) 6.062 15.495 ( 3.059 1.455 0.030) 3.388 16.340 ( -11.166 -15.503 1.256) 19.147 ======================= Grid point 1155 (231/234) ======================= q-point: ( 0.31 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 2.015 3.168 7.023) 7.964 5.290 ( -2.166 24.587 0.867) 24.697 6.016 ( 16.500 1.881 -4.507) 17.208 6.826 ( -8.467 -11.919 0.200) 14.621 7.806 ( -1.810 2.333 -0.498) 2.994 7.955 ( 0.685 -3.384 -0.897) 3.567 9.146 ( 1.009 3.009 -0.635) 3.237 9.570 ( -5.213 8.167 -4.042) 10.498 9.784 ( 3.198 -1.109 -1.215) 3.596 13.260 ( 6.333 15.688 2.090) 17.047 13.727 ( -3.179 -4.739 -0.907) 5.779 14.593 ( 2.728 2.917 14.783) 15.313 15.109 ( -1.419 4.830 -11.634) 12.677 15.592 ( 7.926 -0.661 -1.633) 8.120 15.994 ( -9.481 -15.787 2.154) 18.541 ======================= Grid point 1156 (232/234) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -1.731 1.823 8.858) 9.208 5.397 ( -12.768 22.821 -0.244) 26.151 6.187 ( 1.594 -9.562 1.602) 9.826 6.675 ( 6.818 -5.730 -5.214) 10.320 7.806 ( -0.859 2.633 -1.402) 3.104 7.946 ( 2.091 -3.614 -0.794) 4.250 9.168 ( -1.238 1.804 -0.723) 2.305 9.551 ( -7.164 10.500 -1.830) 12.842 9.820 ( 2.421 -2.533 -3.163) 4.720 13.482 ( -1.283 10.683 0.600) 10.776 13.607 ( -1.307 -3.786 -0.628) 4.054 14.615 ( -2.001 0.947 18.924) 19.053 15.127 ( -3.445 6.319 -14.214) 15.932 15.702 ( -5.540 -8.947 3.911) 11.227 15.780 ( 13.757 -5.551 -3.352) 15.209 ======================= Grid point 1158 (233/234) ======================= q-point: (-0.56 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -4.884 1.362 8.673) 10.046 5.297 ( -20.627 14.342 0.303) 25.125 5.962 ( -10.575 -9.229 0.192) 14.037 6.872 ( 15.503 -2.815 -3.758) 16.198 7.823 ( -0.139 1.444 -2.155) 2.598 7.955 ( 2.759 -2.510 -0.915) 3.840 9.141 ( -3.360 1.027 -0.225) 3.520 9.536 ( -6.388 9.965 -0.642) 11.854 9.815 ( 1.101 -4.416 -4.345) 6.292 13.305 ( -15.527 -1.667 -2.251) 15.777 13.714 ( 6.040 1.837 0.391) 6.325 14.561 ( -5.332 1.657 17.531) 18.399 15.110 ( -3.763 3.624 -11.689) 12.803 15.550 ( -3.364 -3.354 2.650) 5.440 16.035 ( 18.445 -3.406 -1.668) 18.831 ======================= Grid point 1172 (234/234) ======================= q-point: ( 0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.84e-05 1.84e-05 2.25e-05 Number of triplets: 1152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 1.020 1.461 9.936) 10.094 5.720 ( 8.192 15.674 1.434) 17.744 6.009 ( 0.444 -2.474 -0.063) 2.515 6.608 ( -5.569 -7.882 -5.443) 11.080 7.843 ( 0.475 1.348 -1.236) 1.890 7.895 ( -1.179 -2.269 -1.094) 2.781 9.188 ( 0.678 1.081 -0.864) 1.541 9.688 ( 2.851 3.499 -2.286) 5.060 9.767 ( -1.309 -0.900 -2.655) 3.094 13.526 ( 4.090 9.301 -0.202) 10.162 13.640 ( -1.497 -4.052 -0.365) 4.335 14.628 ( 0.947 0.819 21.834) 21.870 15.204 ( 1.883 3.531 -18.026) 18.464 15.590 ( 2.882 1.499 1.321) 3.507 15.723 ( -7.729 -10.095 0.831) 12.741 =================== 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 3/34560 10.0 6915.782 6915.782 6694.453 0.000 0.000 0.000 3/34560 20.0 2544.497 2544.497 2770.001 -0.000 0.000 0.000 3/34560 30.0 1153.694 1153.694 1156.646 -0.000 0.000 0.000 3/34560 40.0 590.567 590.567 567.395 -0.000 0.000 0.000 3/34560 50.0 320.373 320.373 299.116 -0.000 0.000 0.000 3/34560 60.0 190.052 190.052 172.835 -0.000 0.000 0.000 3/34560 70.0 123.858 123.858 109.000 -0.000 0.000 0.000 3/34560 80.0 87.279 87.279 73.684 -0.000 0.000 0.000 3/34560 90.0 65.332 65.332 52.628 -0.000 0.000 0.000 3/34560 100.0 51.218 51.218 39.333 -0.000 0.000 0.000 3/34560 110.0 41.618 41.618 30.545 -0.000 0.000 0.000 3/34560 120.0 34.786 34.786 24.504 -0.000 0.000 0.000 3/34560 130.0 29.740 29.740 20.205 -0.000 0.000 0.000 3/34560 140.0 25.897 25.897 17.051 -0.000 0.000 0.000 3/34560 150.0 22.894 22.894 14.673 -0.000 0.000 0.000 3/34560 160.0 20.495 20.495 12.837 -0.000 0.000 0.000 3/34560 170.0 18.542 18.542 11.389 -0.000 0.000 0.000 3/34560 180.0 16.926 16.926 10.224 -0.000 0.000 0.000 3/34560 190.0 15.569 15.569 9.271 -0.000 0.000 0.000 3/34560 200.0 14.416 14.416 8.481 -0.000 0.000 0.000 3/34560 210.0 13.425 13.425 7.815 -0.000 0.000 0.000 3/34560 220.0 12.564 12.564 7.249 -0.000 0.000 0.000 3/34560 230.0 11.810 11.810 6.761 -0.000 0.000 0.000 3/34560 240.0 11.144 11.144 6.337 -0.000 0.000 0.000 3/34560 250.0 10.552 10.552 5.966 -0.000 0.000 0.000 3/34560 260.0 10.022 10.022 5.638 -0.000 0.000 0.000 3/34560 270.0 9.545 9.545 5.346 -0.000 0.000 -0.000 3/34560 280.0 9.114 9.114 5.084 -0.000 0.000 -0.000 3/34560 290.0 8.721 8.721 4.848 -0.000 0.000 -0.000 3/34560 300.0 8.362 8.362 4.635 -0.000 0.000 -0.000 3/34560 310.0 8.033 8.033 4.441 -0.000 0.000 -0.000 3/34560 320.0 7.731 7.731 4.263 -0.000 0.000 -0.000 3/34560 330.0 7.451 7.451 4.100 -0.000 0.000 -0.000 3/34560 340.0 7.191 7.191 3.950 -0.000 0.000 -0.000 3/34560 350.0 6.950 6.950 3.811 -0.000 0.000 -0.000 3/34560 360.0 6.725 6.725 3.682 -0.000 0.000 -0.000 3/34560 370.0 6.515 6.515 3.562 -0.000 0.000 -0.000 3/34560 380.0 6.318 6.318 3.450 -0.000 0.000 -0.000 3/34560 390.0 6.134 6.134 3.345 -0.000 0.000 -0.000 3/34560 400.0 5.960 5.960 3.247 -0.000 0.000 -0.000 3/34560 410.0 5.796 5.796 3.155 -0.000 0.000 -0.000 3/34560 420.0 5.641 5.641 3.068 -0.000 0.000 -0.000 3/34560 430.0 5.495 5.495 2.986 -0.000 0.000 -0.000 3/34560 440.0 5.356 5.356 2.909 -0.000 0.000 -0.000 3/34560 450.0 5.225 5.225 2.835 -0.000 0.000 -0.000 3/34560 460.0 5.100 5.100 2.766 -0.000 0.000 -0.000 3/34560 470.0 4.981 4.981 2.700 -0.000 0.000 -0.000 3/34560 480.0 4.868 4.868 2.637 -0.000 0.000 -0.000 3/34560 490.0 4.759 4.759 2.577 -0.000 0.000 -0.000 3/34560 500.0 4.656 4.656 2.520 -0.000 0.000 -0.000 3/34560 510.0 4.557 4.557 2.466 -0.000 0.000 -0.000 3/34560 520.0 4.463 4.463 2.414 -0.000 0.000 -0.000 3/34560 530.0 4.372 4.372 2.364 -0.000 0.000 -0.000 3/34560 540.0 4.285 4.285 2.316 -0.000 0.000 -0.000 3/34560 550.0 4.202 4.202 2.270 -0.000 0.000 -0.000 3/34560 560.0 4.122 4.122 2.226 -0.000 0.000 -0.000 3/34560 570.0 4.045 4.045 2.184 -0.000 0.000 -0.000 3/34560 580.0 3.971 3.971 2.144 -0.000 0.000 -0.000 3/34560 590.0 3.900 3.900 2.105 -0.000 0.000 -0.000 3/34560 600.0 3.831 3.831 2.067 -0.000 0.000 -0.000 3/34560 610.0 3.764 3.764 2.031 -0.000 0.000 -0.000 3/34560 620.0 3.700 3.700 1.996 -0.000 0.000 -0.000 3/34560 630.0 3.639 3.639 1.962 -0.000 0.000 -0.000 3/34560 640.0 3.579 3.579 1.930 -0.000 0.000 -0.000 3/34560 650.0 3.521 3.521 1.898 -0.000 0.000 -0.000 3/34560 660.0 3.465 3.465 1.868 -0.000 0.000 -0.000 3/34560 670.0 3.411 3.411 1.838 -0.000 0.000 -0.000 3/34560 680.0 3.359 3.359 1.810 -0.000 0.000 -0.000 3/34560 690.0 3.308 3.308 1.782 -0.000 0.000 -0.000 3/34560 700.0 3.258 3.258 1.755 -0.000 0.000 -0.000 3/34560 710.0 3.211 3.211 1.729 -0.000 0.000 -0.000 3/34560 720.0 3.164 3.164 1.704 -0.000 0.000 -0.000 3/34560 730.0 3.119 3.119 1.680 -0.000 0.000 -0.000 3/34560 740.0 3.075 3.075 1.656 -0.000 0.000 -0.000 3/34560 750.0 3.033 3.033 1.633 -0.000 0.000 -0.000 3/34560 760.0 2.992 2.992 1.611 -0.000 0.000 -0.000 3/34560 770.0 2.951 2.951 1.589 -0.000 0.000 -0.000 3/34560 780.0 2.912 2.912 1.568 -0.000 0.000 -0.000 3/34560 790.0 2.874 2.874 1.547 -0.000 0.000 -0.000 3/34560 800.0 2.837 2.837 1.527 -0.000 0.000 -0.000 3/34560 810.0 2.801 2.801 1.507 -0.000 0.000 -0.000 3/34560 820.0 2.766 2.766 1.488 -0.000 0.000 -0.000 3/34560 830.0 2.732 2.732 1.470 -0.000 0.000 -0.000 3/34560 840.0 2.698 2.698 1.452 -0.000 0.000 -0.000 3/34560 850.0 2.665 2.665 1.434 -0.000 0.000 -0.000 3/34560 860.0 2.634 2.634 1.417 -0.000 0.000 -0.000 3/34560 870.0 2.602 2.602 1.400 -0.000 0.000 -0.000 3/34560 880.0 2.572 2.572 1.384 -0.000 0.000 -0.000 3/34560 890.0 2.542 2.542 1.368 -0.000 0.000 -0.000 3/34560 900.0 2.514 2.514 1.352 -0.000 0.000 -0.000 3/34560 910.0 2.485 2.485 1.337 -0.000 0.000 -0.000 3/34560 920.0 2.458 2.458 1.322 -0.000 0.000 -0.000 3/34560 930.0 2.431 2.431 1.307 -0.000 0.000 -0.000 3/34560 940.0 2.404 2.404 1.293 -0.000 0.000 -0.000 3/34560 950.0 2.378 2.378 1.279 -0.000 0.000 -0.000 3/34560 960.0 2.353 2.353 1.265 -0.000 0.000 -0.000 3/34560 970.0 2.328 2.328 1.252 -0.000 0.000 -0.000 3/34560 980.0 2.304 2.304 1.239 -0.000 0.000 -0.000 3/34560 990.0 2.280 2.280 1.226 -0.000 0.000 -0.000 3/34560 1000.0 2.257 2.257 1.213 -0.000 0.000 -0.000 3/34560 Thermal conductivity related properties were written into "kappa-m16169.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:46:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|