----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:22:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.718236510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.718236510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.131297480000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.34608017886442 6.941 2 Li 0.00000000000000 0.50000000000000 0.65391982113558 6.941 *3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 *5 As 0.50000000000000 0.00000000000000 0.77527805579257 74.922 6 As 0.00000000000000 0.50000000000000 0.22472194420743 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.718236510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.718236510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.131297480000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.34608017886442 6.941 > 1 2 Li 0.00000000000000 0.50000000000000 0.65391982113558 6.941 > 2 *3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 3 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 4 *5 As 0.50000000000000 0.00000000000000 0.77527805579257 74.922 > 5 6 As 0.00000000000000 0.50000000000000 0.22472194420743 74.922 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.154709530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.154709530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.262594959999999 Atomic positions (fractional): *1 Li 0.16666666666667 0.00000000000000 0.17304008943221 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17304008943221 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17304008943221 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17304008943221 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17304008943221 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17304008943221 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17304008943221 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17304008943221 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17304008943221 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67304008943221 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67304008943221 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67304008943221 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67304008943221 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67304008943221 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67304008943221 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67304008943221 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67304008943221 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67304008943221 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32695991056779 6.941 > 2 20 Li 0.33333333333333 0.16666666666667 0.32695991056779 6.941 > 2 21 Li 0.66666666666667 0.16666666666667 0.32695991056779 6.941 > 2 22 Li 0.00000000000000 0.50000000000000 0.32695991056779 6.941 > 2 23 Li 0.33333333333333 0.50000000000000 0.32695991056779 6.941 > 2 24 Li 0.66666666666667 0.50000000000000 0.32695991056779 6.941 > 2 25 Li 0.00000000000000 0.83333333333333 0.32695991056779 6.941 > 2 26 Li 0.33333333333333 0.83333333333333 0.32695991056779 6.941 > 2 27 Li 0.66666666666667 0.83333333333333 0.32695991056779 6.941 > 2 28 Li 0.00000000000000 0.16666666666667 0.82695991056779 6.941 > 2 29 Li 0.33333333333333 0.16666666666667 0.82695991056779 6.941 > 2 30 Li 0.66666666666667 0.16666666666667 0.82695991056779 6.941 > 2 31 Li 0.00000000000000 0.50000000000000 0.82695991056779 6.941 > 2 32 Li 0.33333333333333 0.50000000000000 0.82695991056779 6.941 > 2 33 Li 0.66666666666667 0.50000000000000 0.82695991056779 6.941 > 2 34 Li 0.00000000000000 0.83333333333333 0.82695991056779 6.941 > 2 35 Li 0.33333333333333 0.83333333333333 0.82695991056779 6.941 > 2 36 Li 0.66666666666667 0.83333333333333 0.82695991056779 6.941 > 2 *37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 3 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 3 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 3 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 3 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 3 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 3 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 3 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 3 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 3 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 3 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 3 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 3 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 3 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 3 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 3 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 3 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 3 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 3 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 4 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 4 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 4 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 4 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 4 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 4 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 4 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 4 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 4 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 4 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 4 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 4 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 4 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 4 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 4 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 4 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 4 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 4 *73 As 0.16666666666667 0.00000000000000 0.38763902789628 74.922 > 5 74 As 0.50000000000000 0.00000000000000 0.38763902789628 74.922 > 5 75 As 0.83333333333333 0.00000000000000 0.38763902789628 74.922 > 5 76 As 0.16666666666667 0.33333333333333 0.38763902789628 74.922 > 5 77 As 0.50000000000000 0.33333333333333 0.38763902789628 74.922 > 5 78 As 0.83333333333333 0.33333333333333 0.38763902789628 74.922 > 5 79 As 0.16666666666667 0.66666666666667 0.38763902789628 74.922 > 5 80 As 0.50000000000000 0.66666666666667 0.38763902789628 74.922 > 5 81 As 0.83333333333333 0.66666666666667 0.38763902789628 74.922 > 5 82 As 0.16666666666667 0.00000000000000 0.88763902789628 74.922 > 5 83 As 0.50000000000000 0.00000000000000 0.88763902789628 74.922 > 5 84 As 0.83333333333333 0.00000000000000 0.88763902789628 74.922 > 5 85 As 0.16666666666667 0.33333333333333 0.88763902789628 74.922 > 5 86 As 0.50000000000000 0.33333333333333 0.88763902789628 74.922 > 5 87 As 0.83333333333333 0.33333333333333 0.88763902789628 74.922 > 5 88 As 0.16666666666667 0.66666666666667 0.88763902789628 74.922 > 5 89 As 0.50000000000000 0.66666666666667 0.88763902789628 74.922 > 5 90 As 0.83333333333333 0.66666666666667 0.88763902789628 74.922 > 5 91 As 0.00000000000000 0.16666666666667 0.11236097210372 74.922 > 6 92 As 0.33333333333333 0.16666666666667 0.11236097210372 74.922 > 6 93 As 0.66666666666667 0.16666666666667 0.11236097210372 74.922 > 6 94 As 0.00000000000000 0.50000000000000 0.11236097210372 74.922 > 6 95 As 0.33333333333333 0.50000000000000 0.11236097210372 74.922 > 6 96 As 0.66666666666667 0.50000000000000 0.11236097210372 74.922 > 6 97 As 0.00000000000000 0.83333333333333 0.11236097210372 74.922 > 6 98 As 0.33333333333333 0.83333333333333 0.11236097210372 74.922 > 6 99 As 0.66666666666667 0.83333333333333 0.11236097210372 74.922 > 6 100 As 0.00000000000000 0.16666666666667 0.61236097210372 74.922 > 6 101 As 0.33333333333333 0.16666666666667 0.61236097210372 74.922 > 6 102 As 0.66666666666667 0.16666666666667 0.61236097210372 74.922 > 6 103 As 0.00000000000000 0.50000000000000 0.61236097210372 74.922 > 6 104 As 0.33333333333333 0.50000000000000 0.61236097210372 74.922 > 6 105 As 0.66666666666667 0.50000000000000 0.61236097210372 74.922 > 6 106 As 0.00000000000000 0.83333333333333 0.61236097210372 74.922 > 6 107 As 0.33333333333333 0.83333333333333 0.61236097210372 74.922 > 6 108 As 0.66666666666667 0.83333333333333 0.61236097210372 74.922 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.8248881 0.0000000 0.0000000 0.0000000 11.8248881 0.0000000 0.0000000 0.0000000 7.7443575 -------------------------- Born effective charges -------------------------- 1 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 2 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 3 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 4 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 5 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 6 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 256 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 24 Use standard eigh solver. Tree of FC basis block matrices: - (256, 250), data: False |-- (24, 24), data: True |-- (64, 61), data: True |-- (72, 72), data: True |-- (96, 93), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.175 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.181 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 256 Number of blocks in projector: 262 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 72 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 24 Use standard eigh solver. Tree of FC basis block matrices: - (256, 250), data: False |-- (24, 24), data: True |-- (64, 61), data: True |-- (72, 72), data: True |-- (96, 93), 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 23:22:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:22:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.718236510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.718236510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.131297480000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.34608017886442 6.941 2 Li 0.00000000000000 0.50000000000000 0.65391982113558 6.941 3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 5 As 0.50000000000000 0.00000000000000 0.77527805579257 74.922 6 As 0.00000000000000 0.50000000000000 0.22472194420743 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.154709530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.154709530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.262594959999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.00000000000000 0.17304008943221 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17304008943221 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17304008943221 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17304008943221 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17304008943221 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17304008943221 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17304008943221 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17304008943221 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17304008943221 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67304008943221 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67304008943221 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67304008943221 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67304008943221 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67304008943221 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67304008943221 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67304008943221 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67304008943221 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67304008943221 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32695991056779 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.32695991056779 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.32695991056779 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.32695991056779 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.32695991056779 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.32695991056779 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.32695991056779 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.32695991056779 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.32695991056779 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.82695991056779 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.82695991056779 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.82695991056779 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.82695991056779 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.82695991056779 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.82695991056779 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.82695991056779 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.82695991056779 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.82695991056779 6.941 > 19 37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 37 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 37 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 37 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 37 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 37 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 37 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 37 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 37 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 37 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 37 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 37 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 37 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 37 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 37 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 37 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 37 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 37 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 37 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 55 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 55 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 55 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 55 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 55 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 55 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 55 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 55 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 55 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 55 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 55 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 55 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 55 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 55 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 55 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 55 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 55 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 55 73 As 0.16666666666667 0.00000000000000 0.38763902789628 74.922 > 73 74 As 0.50000000000000 0.00000000000000 0.38763902789628 74.922 > 73 75 As 0.83333333333333 0.00000000000000 0.38763902789628 74.922 > 73 76 As 0.16666666666667 0.33333333333333 0.38763902789628 74.922 > 73 77 As 0.50000000000000 0.33333333333333 0.38763902789628 74.922 > 73 78 As 0.83333333333333 0.33333333333333 0.38763902789628 74.922 > 73 79 As 0.16666666666667 0.66666666666667 0.38763902789628 74.922 > 73 80 As 0.50000000000000 0.66666666666667 0.38763902789628 74.922 > 73 81 As 0.83333333333333 0.66666666666667 0.38763902789628 74.922 > 73 82 As 0.16666666666667 0.00000000000000 0.88763902789628 74.922 > 73 83 As 0.50000000000000 0.00000000000000 0.88763902789628 74.922 > 73 84 As 0.83333333333333 0.00000000000000 0.88763902789628 74.922 > 73 85 As 0.16666666666667 0.33333333333333 0.88763902789628 74.922 > 73 86 As 0.50000000000000 0.33333333333333 0.88763902789628 74.922 > 73 87 As 0.83333333333333 0.33333333333333 0.88763902789628 74.922 > 73 88 As 0.16666666666667 0.66666666666667 0.88763902789628 74.922 > 73 89 As 0.50000000000000 0.66666666666667 0.88763902789628 74.922 > 73 90 As 0.83333333333333 0.66666666666667 0.88763902789628 74.922 > 73 91 As 0.00000000000000 0.16666666666667 0.11236097210372 74.922 > 91 92 As 0.33333333333333 0.16666666666667 0.11236097210372 74.922 > 91 93 As 0.66666666666667 0.16666666666667 0.11236097210372 74.922 > 91 94 As 0.00000000000000 0.50000000000000 0.11236097210372 74.922 > 91 95 As 0.33333333333333 0.50000000000000 0.11236097210372 74.922 > 91 96 As 0.66666666666667 0.50000000000000 0.11236097210372 74.922 > 91 97 As 0.00000000000000 0.83333333333333 0.11236097210372 74.922 > 91 98 As 0.33333333333333 0.83333333333333 0.11236097210372 74.922 > 91 99 As 0.66666666666667 0.83333333333333 0.11236097210372 74.922 > 91 100 As 0.00000000000000 0.16666666666667 0.61236097210372 74.922 > 91 101 As 0.33333333333333 0.16666666666667 0.61236097210372 74.922 > 91 102 As 0.66666666666667 0.16666666666667 0.61236097210372 74.922 > 91 103 As 0.00000000000000 0.50000000000000 0.61236097210372 74.922 > 91 104 As 0.33333333333333 0.50000000000000 0.61236097210372 74.922 > 91 105 As 0.66666666666667 0.50000000000000 0.61236097210372 74.922 > 91 106 As 0.00000000000000 0.83333333333333 0.61236097210372 74.922 > 91 107 As 0.33333333333333 0.83333333333333 0.61236097210372 74.922 > 91 108 As 0.66666666666667 0.83333333333333 0.61236097210372 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.8248881 0.0000000 0.0000000 0.0000000 11.8248881 0.0000000 0.0000000 0.0000000 7.7443575 -------------------------- Born effective charges -------------------------- 1 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 2 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 3 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 4 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 5 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 6 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 ---------------------------------------------------------------------------- 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 23:22:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:22:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.718236510000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.718236510000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.131297480000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.00000000000000 0.34608017886442 6.941 2 Li 0.00000000000000 0.50000000000000 0.65391982113558 6.941 3 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 4 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 5 As 0.50000000000000 0.00000000000000 0.77527805579257 74.922 6 As 0.00000000000000 0.50000000000000 0.22472194420743 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.154709530000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.154709530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.262594959999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.00000000000000 0.17304008943221 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.17304008943221 6.941 > 1 3 Li 0.83333333333333 0.00000000000000 0.17304008943221 6.941 > 1 4 Li 0.16666666666667 0.33333333333333 0.17304008943221 6.941 > 1 5 Li 0.50000000000000 0.33333333333333 0.17304008943221 6.941 > 1 6 Li 0.83333333333333 0.33333333333333 0.17304008943221 6.941 > 1 7 Li 0.16666666666667 0.66666666666667 0.17304008943221 6.941 > 1 8 Li 0.50000000000000 0.66666666666667 0.17304008943221 6.941 > 1 9 Li 0.83333333333333 0.66666666666667 0.17304008943221 6.941 > 1 10 Li 0.16666666666667 0.00000000000000 0.67304008943221 6.941 > 1 11 Li 0.50000000000000 0.00000000000000 0.67304008943221 6.941 > 1 12 Li 0.83333333333333 0.00000000000000 0.67304008943221 6.941 > 1 13 Li 0.16666666666667 0.33333333333333 0.67304008943221 6.941 > 1 14 Li 0.50000000000000 0.33333333333333 0.67304008943221 6.941 > 1 15 Li 0.83333333333333 0.33333333333333 0.67304008943221 6.941 > 1 16 Li 0.16666666666667 0.66666666666667 0.67304008943221 6.941 > 1 17 Li 0.50000000000000 0.66666666666667 0.67304008943221 6.941 > 1 18 Li 0.83333333333333 0.66666666666667 0.67304008943221 6.941 > 1 19 Li 0.00000000000000 0.16666666666667 0.32695991056779 6.941 > 19 20 Li 0.33333333333333 0.16666666666667 0.32695991056779 6.941 > 19 21 Li 0.66666666666667 0.16666666666667 0.32695991056779 6.941 > 19 22 Li 0.00000000000000 0.50000000000000 0.32695991056779 6.941 > 19 23 Li 0.33333333333333 0.50000000000000 0.32695991056779 6.941 > 19 24 Li 0.66666666666667 0.50000000000000 0.32695991056779 6.941 > 19 25 Li 0.00000000000000 0.83333333333333 0.32695991056779 6.941 > 19 26 Li 0.33333333333333 0.83333333333333 0.32695991056779 6.941 > 19 27 Li 0.66666666666667 0.83333333333333 0.32695991056779 6.941 > 19 28 Li 0.00000000000000 0.16666666666667 0.82695991056779 6.941 > 19 29 Li 0.33333333333333 0.16666666666667 0.82695991056779 6.941 > 19 30 Li 0.66666666666667 0.16666666666667 0.82695991056779 6.941 > 19 31 Li 0.00000000000000 0.50000000000000 0.82695991056779 6.941 > 19 32 Li 0.33333333333333 0.50000000000000 0.82695991056779 6.941 > 19 33 Li 0.66666666666667 0.50000000000000 0.82695991056779 6.941 > 19 34 Li 0.00000000000000 0.83333333333333 0.82695991056779 6.941 > 19 35 Li 0.33333333333333 0.83333333333333 0.82695991056779 6.941 > 19 36 Li 0.66666666666667 0.83333333333333 0.82695991056779 6.941 > 19 37 Be 0.16666666666667 0.16666666666667 0.00000000000000 9.012 > 37 38 Be 0.50000000000000 0.16666666666667 0.00000000000000 9.012 > 37 39 Be 0.83333333333333 0.16666666666667 0.00000000000000 9.012 > 37 40 Be 0.16666666666667 0.50000000000000 0.00000000000000 9.012 > 37 41 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 37 42 Be 0.83333333333333 0.50000000000000 0.00000000000000 9.012 > 37 43 Be 0.16666666666667 0.83333333333333 0.00000000000000 9.012 > 37 44 Be 0.50000000000000 0.83333333333333 0.00000000000000 9.012 > 37 45 Be 0.83333333333333 0.83333333333333 0.00000000000000 9.012 > 37 46 Be 0.16666666666667 0.16666666666667 0.50000000000000 9.012 > 37 47 Be 0.50000000000000 0.16666666666667 0.50000000000000 9.012 > 37 48 Be 0.83333333333333 0.16666666666667 0.50000000000000 9.012 > 37 49 Be 0.16666666666667 0.50000000000000 0.50000000000000 9.012 > 37 50 Be 0.50000000000000 0.50000000000000 0.50000000000000 9.012 > 37 51 Be 0.83333333333333 0.50000000000000 0.50000000000000 9.012 > 37 52 Be 0.16666666666667 0.83333333333333 0.50000000000000 9.012 > 37 53 Be 0.50000000000000 0.83333333333333 0.50000000000000 9.012 > 37 54 Be 0.83333333333333 0.83333333333333 0.50000000000000 9.012 > 37 55 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 55 56 Be 0.33333333333333 0.00000000000000 0.00000000000000 9.012 > 55 57 Be 0.66666666666667 0.00000000000000 0.00000000000000 9.012 > 55 58 Be 0.00000000000000 0.33333333333333 0.00000000000000 9.012 > 55 59 Be 0.33333333333333 0.33333333333333 0.00000000000000 9.012 > 55 60 Be 0.66666666666667 0.33333333333333 0.00000000000000 9.012 > 55 61 Be 0.00000000000000 0.66666666666667 0.00000000000000 9.012 > 55 62 Be 0.33333333333333 0.66666666666667 0.00000000000000 9.012 > 55 63 Be 0.66666666666667 0.66666666666667 0.00000000000000 9.012 > 55 64 Be 0.00000000000000 0.00000000000000 0.50000000000000 9.012 > 55 65 Be 0.33333333333333 0.00000000000000 0.50000000000000 9.012 > 55 66 Be 0.66666666666667 0.00000000000000 0.50000000000000 9.012 > 55 67 Be 0.00000000000000 0.33333333333333 0.50000000000000 9.012 > 55 68 Be 0.33333333333333 0.33333333333333 0.50000000000000 9.012 > 55 69 Be 0.66666666666667 0.33333333333333 0.50000000000000 9.012 > 55 70 Be 0.00000000000000 0.66666666666667 0.50000000000000 9.012 > 55 71 Be 0.33333333333333 0.66666666666667 0.50000000000000 9.012 > 55 72 Be 0.66666666666667 0.66666666666667 0.50000000000000 9.012 > 55 73 As 0.16666666666667 0.00000000000000 0.38763902789628 74.922 > 73 74 As 0.50000000000000 0.00000000000000 0.38763902789628 74.922 > 73 75 As 0.83333333333333 0.00000000000000 0.38763902789628 74.922 > 73 76 As 0.16666666666667 0.33333333333333 0.38763902789628 74.922 > 73 77 As 0.50000000000000 0.33333333333333 0.38763902789628 74.922 > 73 78 As 0.83333333333333 0.33333333333333 0.38763902789628 74.922 > 73 79 As 0.16666666666667 0.66666666666667 0.38763902789628 74.922 > 73 80 As 0.50000000000000 0.66666666666667 0.38763902789628 74.922 > 73 81 As 0.83333333333333 0.66666666666667 0.38763902789628 74.922 > 73 82 As 0.16666666666667 0.00000000000000 0.88763902789628 74.922 > 73 83 As 0.50000000000000 0.00000000000000 0.88763902789628 74.922 > 73 84 As 0.83333333333333 0.00000000000000 0.88763902789628 74.922 > 73 85 As 0.16666666666667 0.33333333333333 0.88763902789628 74.922 > 73 86 As 0.50000000000000 0.33333333333333 0.88763902789628 74.922 > 73 87 As 0.83333333333333 0.33333333333333 0.88763902789628 74.922 > 73 88 As 0.16666666666667 0.66666666666667 0.88763902789628 74.922 > 73 89 As 0.50000000000000 0.66666666666667 0.88763902789628 74.922 > 73 90 As 0.83333333333333 0.66666666666667 0.88763902789628 74.922 > 73 91 As 0.00000000000000 0.16666666666667 0.11236097210372 74.922 > 91 92 As 0.33333333333333 0.16666666666667 0.11236097210372 74.922 > 91 93 As 0.66666666666667 0.16666666666667 0.11236097210372 74.922 > 91 94 As 0.00000000000000 0.50000000000000 0.11236097210372 74.922 > 91 95 As 0.33333333333333 0.50000000000000 0.11236097210372 74.922 > 91 96 As 0.66666666666667 0.50000000000000 0.11236097210372 74.922 > 91 97 As 0.00000000000000 0.83333333333333 0.11236097210372 74.922 > 91 98 As 0.33333333333333 0.83333333333333 0.11236097210372 74.922 > 91 99 As 0.66666666666667 0.83333333333333 0.11236097210372 74.922 > 91 100 As 0.00000000000000 0.16666666666667 0.61236097210372 74.922 > 91 101 As 0.33333333333333 0.16666666666667 0.61236097210372 74.922 > 91 102 As 0.66666666666667 0.16666666666667 0.61236097210372 74.922 > 91 103 As 0.00000000000000 0.50000000000000 0.61236097210372 74.922 > 91 104 As 0.33333333333333 0.50000000000000 0.61236097210372 74.922 > 91 105 As 0.66666666666667 0.50000000000000 0.61236097210372 74.922 > 91 106 As 0.00000000000000 0.83333333333333 0.61236097210372 74.922 > 91 107 As 0.33333333333333 0.83333333333333 0.61236097210372 74.922 > 91 108 As 0.66666666666667 0.83333333333333 0.61236097210372 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.8248881 0.0000000 0.0000000 0.0000000 11.8248881 0.0000000 0.0000000 0.0000000 7.7443575 -------------------------- Born effective charges -------------------------- 1 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 2 Li 1.4047177 0.0000000 0.0000000 0.0000000 1.4047177 0.0000000 0.0000000 0.0000000 1.3469025 3 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 4 Be 1.6253332 0.0000000 0.0000000 0.0000000 1.6253332 0.0000000 0.0000000 0.0000000 0.3127135 5 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 6 As -3.0300509 0.0000000 0.0000000 0.0000000 -3.0300509 0.0000000 0.0000000 0.0000000 -1.6596160 ---------------------------------------------------------------------------- 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 ... [ 13 13 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.95, Number of G-points: 303, Lambda: 0.32 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 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 3.346 ( 0.000 0.000 -0.000) 0.000 3.346 ( 0.000 0.000 -0.000) 0.000 5.968 ( -0.000 -0.000 0.000) 0.000 6.981 ( 0.000 -0.000 0.000) 0.000 6.981 ( 0.000 0.000 -0.000) 0.000 7.844 ( -0.000 0.000 0.000) 0.000 7.844 ( -0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 0.000) 0.000 9.741 ( -0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 -0.000) 0.000 11.385 ( -0.000 0.000 -0.000) 0.000 12.939 ( 0.000 0.000 0.000) 0.000 13.023 ( 0.000 0.000 0.000) 0.000 13.023 ( 0.000 0.000 -0.000) 0.000 16.912 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 20.774 0.000 0.000) 20.774 0.577 ( 29.876 0.000 0.000) 29.876 1.246 ( 58.536 0.000 0.000) 58.536 3.377 ( 2.817 0.000 0.000) 2.817 3.603 ( 23.033 0.000 0.000) 23.033 5.933 ( -3.394 0.000 0.000) 3.394 7.007 ( 2.349 0.000 0.000) 2.349 7.803 ( -3.864 0.000 0.000) 3.864 7.804 ( -3.494 0.000 0.000) 3.494 7.980 ( -1.255 0.000 0.000) 1.255 8.652 ( 1.937 0.000 0.000) 1.937 9.746 ( 0.385 0.000 0.000) 0.385 11.428 ( 4.190 0.000 0.000) 4.190 12.679 ( -15.986 0.000 0.000) 15.986 13.020 ( -0.320 0.000 0.000) 0.320 13.045 ( 1.968 0.000 0.000) 1.968 13.573 ( 19.605 0.000 0.000) 19.605 16.763 ( -14.049 0.000 0.000) 14.049 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 21.891 0.000 0.000) 21.891 1.234 ( 33.058 0.000 0.000) 33.058 2.388 ( 51.030 0.000 0.000) 51.030 3.450 ( 3.826 0.000 0.000) 3.826 4.198 ( 32.106 0.000 0.000) 32.106 5.830 ( -6.515 0.000 0.000) 6.515 7.069 ( 3.341 0.000 0.000) 3.341 7.690 ( -6.881 0.000 0.000) 6.881 7.718 ( -4.330 0.000 0.000) 4.330 7.944 ( -2.072 0.000 0.000) 2.072 8.701 ( 2.639 0.000 0.000) 2.639 9.749 ( -0.303 0.000 0.000) 0.303 11.556 ( 8.068 0.000 0.000) 8.068 12.383 ( -12.055 0.000 0.000) 12.055 13.009 ( -0.800 0.000 0.000) 0.800 13.093 ( 2.232 0.000 0.000) 2.232 13.977 ( 18.764 0.000 0.000) 18.764 16.358 ( -24.065 0.000 0.000) 24.065 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 23.125 0.000 0.000) 23.125 1.919 ( 32.636 0.000 0.000) 32.636 3.324 ( 38.636 0.000 0.000) 38.636 3.516 ( 2.003 0.000 0.000) 2.003 4.851 ( 29.573 0.000 0.000) 29.573 5.677 ( -7.680 0.000 0.000) 7.680 7.133 ( 2.624 0.000 0.000) 2.624 7.530 ( -8.213 0.000 0.000) 8.213 7.641 ( -2.914 0.000 0.000) 2.914 7.897 ( -2.484 0.000 0.000) 2.484 8.762 ( 3.425 0.000 0.000) 3.425 9.724 ( -2.328 0.000 0.000) 2.328 11.756 ( 11.101 0.000 0.000) 11.101 12.192 ( -6.283 0.000 0.000) 6.283 12.984 ( -1.678 0.000 0.000) 1.678 13.115 ( -0.683 0.000 0.000) 0.683 14.330 ( 15.060 0.000 0.000) 15.060 15.820 ( -26.491 0.000 0.000) 26.491 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 23.759 0.000 0.000) 23.759 2.566 ( 29.559 0.000 0.000) 29.559 3.513 ( -2.666 0.000 0.000) 2.666 3.944 ( 20.144 0.000 0.000) 20.144 5.377 ( 20.517 0.000 0.000) 20.517 5.551 ( -3.267 0.000 0.000) 3.267 7.171 ( 0.977 0.000 0.000) 0.977 7.365 ( -7.328 0.000 0.000) 7.328 7.604 ( -0.589 0.000 0.000) 0.589 7.842 ( -2.754 0.000 0.000) 2.754 8.850 ( 5.302 0.000 0.000) 5.302 9.648 ( -5.049 0.000 0.000) 5.049 12.005 ( 12.666 0.000 0.000) 12.666 12.124 ( -0.421 0.000 0.000) 0.421 12.935 ( -3.202 0.000 0.000) 3.202 13.040 ( -6.994 0.000 0.000) 6.994 14.592 ( 10.143 0.000 0.000) 10.143 15.325 ( -20.042 0.000 0.000) 20.042 ======================= Grid point 5 (6/140) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 23.070 0.000 0.000) 23.070 3.133 ( 25.114 0.000 0.000) 25.114 3.393 ( -9.151 0.000 0.000) 9.151 4.132 ( -1.301 0.000 0.000) 1.301 5.575 ( 5.255 0.000 0.000) 5.255 5.687 ( 9.440 0.000 0.000) 9.440 7.176 ( -0.341 0.000 0.000) 0.341 7.240 ( -4.620 0.000 0.000) 4.620 7.615 ( 1.505 0.000 0.000) 1.505 7.783 ( -2.969 0.000 0.000) 2.969 8.984 ( 7.571 0.000 0.000) 7.571 9.517 ( -7.497 0.000 0.000) 7.497 12.171 ( 4.861 0.000 0.000) 4.861 12.268 ( 12.461 0.000 0.000) 12.461 12.830 ( -12.624 0.000 0.000) 12.624 12.847 ( -5.443 0.000 0.000) 5.443 14.752 ( 5.483 0.000 0.000) 5.483 15.017 ( -9.827 0.000 0.000) 9.827 ======================= Grid point 6 (7/140) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 20.443 0.000 0.000) 20.443 3.135 ( -15.614 0.000 0.000) 15.614 3.602 ( 20.161 0.000 0.000) 20.161 3.959 ( -13.837 0.000 0.000) 13.837 5.708 ( 6.017 0.000 0.000) 6.017 5.779 ( -0.060 0.000 0.000) 0.060 7.166 ( -0.282 0.000 0.000) 0.282 7.177 ( -1.567 0.000 0.000) 1.567 7.660 ( 2.700 0.000 0.000) 2.700 7.720 ( -3.041 0.000 0.000) 3.041 9.157 ( 8.959 0.000 0.000) 8.959 9.345 ( -8.926 0.000 0.000) 8.926 12.321 ( 9.509 0.000 0.000) 9.509 12.510 ( 10.737 0.000 0.000) 10.737 12.556 ( -12.931 0.000 0.000) 12.931 12.706 ( -8.147 0.000 0.000) 8.147 14.832 ( 2.706 0.000 0.000) 2.706 14.889 ( -3.579 0.000 0.000) 3.579 ======================= Grid point 14 (8/140) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 19.650 19.650 0.000) 27.790 1.115 ( 25.765 25.765 0.000) 36.438 1.473 ( 34.322 34.322 0.000) 48.539 3.540 ( 8.876 8.876 0.000) 12.552 3.711 ( 15.481 15.481 0.000) 21.893 5.904 ( -2.868 -2.868 0.000) 4.056 6.957 ( -0.995 -0.995 0.000) 1.407 7.661 ( -7.890 -7.890 0.000) 11.158 7.884 ( 2.023 2.023 0.000) 2.861 8.055 ( 2.180 2.180 0.000) 3.083 8.666 ( 1.301 1.301 0.000) 1.839 9.754 ( 0.617 0.617 0.000) 0.873 11.259 ( -4.293 -4.293 0.000) 6.072 12.978 ( -2.261 -2.261 0.000) 3.198 13.105 ( 3.829 3.829 0.000) 5.414 13.120 ( 6.593 6.593 0.000) 9.324 13.350 ( 3.709 3.709 0.000) 5.245 16.616 ( -13.885 -13.885 0.000) 19.637 ======================= Grid point 15 (9/140) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 28.701 8.404 0.000) 29.906 1.413 ( 12.715 39.459 0.000) 41.457 2.448 ( 48.435 6.900 0.000) 48.924 3.648 ( 3.766 17.250 0.000) 17.656 4.232 ( 30.023 3.538 0.000) 30.231 5.813 ( -5.856 -1.575 0.000) 6.064 6.984 ( 2.998 -5.397 0.000) 6.174 7.491 ( -8.128 -10.219 0.000) 13.057 7.890 ( -1.194 7.717 0.000) 7.809 8.039 ( -2.857 5.773 0.000) 6.441 8.703 ( 2.251 0.297 0.000) 2.271 9.761 ( -0.185 0.986 0.000) 1.004 11.292 ( 5.810 -13.502 0.000) 14.699 12.840 ( -14.592 30.585 0.000) 33.888 12.930 ( -2.507 -4.860 0.000) 5.469 13.187 ( 3.866 6.271 0.000) 7.367 13.804 ( 22.368 -14.443 0.000) 26.625 16.216 ( -23.789 -13.446 0.000) 27.326 ======================= Grid point 16 (10/140) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 16.511 31.335 0.000) 35.418 1.932 ( 30.297 2.169 0.000) 30.374 3.350 ( 37.518 2.855 0.000) 37.627 3.706 ( 1.426 16.946 0.000) 17.006 4.847 ( 27.920 -0.500 0.000) 27.924 5.673 ( -7.179 -0.342 0.000) 7.187 7.057 ( 3.603 -5.942 0.000) 6.949 7.337 ( -6.582 -10.393 0.000) 12.302 7.846 ( -2.723 11.595 0.000) 11.910 7.960 ( -4.382 4.495 0.000) 6.277 8.760 ( 3.337 -0.153 0.000) 3.340 9.735 ( -2.585 0.850 0.000) 2.721 11.456 ( 9.444 -15.590 0.000) 18.228 12.616 ( -6.986 26.852 0.000) 27.746 12.867 ( -3.754 -7.300 0.000) 8.208 13.247 ( 1.399 8.636 0.000) 8.748 14.204 ( 16.368 -11.189 0.000) 19.827 15.684 ( -26.132 -12.813 0.000) 29.104 ======================= Grid point 17 (11/140) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 19.383 23.496 0.000) 30.459 2.541 ( 28.165 -1.266 0.000) 28.194 3.691 ( -3.144 15.685 0.000) 15.997 3.951 ( 19.474 0.951 0.000) 19.497 5.343 ( 19.293 -3.346 0.000) 19.581 5.553 ( -3.204 0.301 0.000) 3.219 7.120 ( 2.248 -4.481 0.000) 5.013 7.227 ( -3.935 -8.135 0.000) 9.037 7.789 ( -2.560 12.578 0.000) 12.836 7.871 ( -4.071 2.174 0.000) 4.615 8.847 ( 5.182 -0.346 0.000) 5.194 9.651 ( -5.534 0.121 0.000) 5.536 11.664 ( 10.385 -14.986 0.000) 18.232 12.549 ( 0.270 22.488 0.000) 22.489 12.765 ( -6.419 -9.538 0.000) 11.496 13.225 ( -3.835 10.769 0.000) 11.432 14.483 ( 10.737 -9.647 0.000) 14.434 15.199 ( -19.443 -11.822 0.000) 22.755 ======================= Grid point 18 (12/140) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 20.286 17.681 0.000) 26.910 3.078 ( 22.797 -2.919 0.000) 22.983 3.574 ( -7.517 14.733 0.000) 16.540 4.130 ( -1.513 0.037 0.000) 1.513 5.570 ( 4.419 -0.445 0.000) 4.441 5.635 ( 9.031 -4.853 0.000) 10.252 7.149 ( 0.682 -2.552 0.000) 2.641 7.173 ( -1.460 -4.411 0.000) 4.646 7.748 ( -1.381 10.509 0.000) 10.600 7.798 ( -2.880 1.352 0.000) 3.182 8.977 ( 7.344 -0.711 0.000) 7.379 9.510 ( -7.883 -0.707 0.000) 7.915 11.881 ( 10.623 -13.139 0.000) 16.897 12.593 ( -10.192 -10.888 0.000) 14.914 12.612 ( 5.382 17.694 0.000) 18.495 13.096 ( -7.960 11.699 0.000) 14.150 14.653 ( 5.830 -8.756 0.000) 10.520 14.906 ( -9.042 -10.191 0.000) 13.624 ======================= Grid point 19 (13/140) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 18.625 13.721 0.000) 23.133 3.242 ( -11.337 9.027 0.000) 14.491 3.621 ( 16.468 2.602 0.000) 16.672 3.956 ( -13.714 -0.052 0.000) 13.714 5.680 ( 4.792 -2.572 0.000) 5.438 5.730 ( 0.606 -4.498 0.000) 4.539 7.155 ( 0.066 -1.170 0.000) 1.172 7.157 ( -0.257 -1.573 0.000) 1.594 7.735 ( 0.133 6.585 0.000) 6.586 7.752 ( -1.552 2.985 0.000) 3.365 9.146 ( 8.817 -1.105 0.000) 8.886 9.333 ( -9.037 -1.161 0.000) 9.111 12.109 ( 11.497 -11.480 0.000) 16.248 12.356 ( -12.159 -10.995 0.000) 16.393 12.752 ( 7.768 13.696 0.000) 15.745 12.922 ( -8.511 11.878 0.000) 14.612 14.737 ( 2.763 -8.349 0.000) 8.794 14.791 ( -3.159 -8.763 0.000) 9.315 ======================= Grid point 28 (14/140) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 18.595 18.595 0.000) 26.298 2.095 ( 21.300 21.300 0.000) 30.123 2.791 ( 28.823 28.823 0.000) 40.762 4.016 ( 13.239 13.239 0.000) 18.723 4.396 ( 14.973 14.973 0.000) 21.175 5.760 ( -3.710 -3.710 0.000) 5.247 6.916 ( -0.883 -0.883 0.000) 1.248 7.295 ( -8.414 -8.414 0.000) 11.899 8.016 ( 4.256 4.256 0.000) 6.019 8.092 ( -0.985 -0.985 0.000) 1.392 8.718 ( 1.236 1.236 0.000) 1.748 9.776 ( -0.037 -0.037 0.000) 0.052 11.157 ( 0.110 0.110 0.000) 0.156 12.829 ( -4.996 -4.996 0.000) 7.065 13.307 ( 1.042 1.042 0.000) 1.473 13.320 ( 6.182 6.182 0.000) 8.742 13.590 ( 7.885 7.885 0.000) 11.151 15.829 ( -22.994 -22.994 0.000) 32.518 ======================= Grid point 29 (15/140) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 23.926 9.270 0.000) 25.659 2.393 ( 11.623 30.104 0.000) 32.270 3.476 ( 32.156 10.559 0.000) 33.845 4.139 ( 0.793 23.080 0.000) 23.094 4.823 ( 22.507 -2.017 0.000) 22.598 5.661 ( -5.472 -0.912 0.000) 5.548 6.940 ( 2.731 -4.657 0.000) 5.399 7.156 ( -4.782 -6.682 0.000) 8.217 8.019 ( -5.291 0.458 0.000) 5.310 8.065 ( 0.597 9.116 0.000) 9.135 8.759 ( 2.850 0.202 0.000) 2.857 9.745 ( -3.149 -0.295 0.000) 3.162 11.253 ( 7.984 -3.930 0.000) 8.898 12.718 ( -5.847 -7.076 0.000) 9.179 13.095 ( -11.142 16.162 0.000) 19.631 13.424 ( 3.225 7.882 0.000) 8.516 13.957 ( 17.925 -9.056 0.000) 20.082 15.318 ( -24.837 -21.539 0.000) 32.875 ======================= Grid point 30 (16/140) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 24.839 3.324 0.000) 25.061 2.646 ( 13.269 27.286 0.000) 30.341 4.002 ( 16.981 4.476 0.000) 17.561 4.090 ( -5.235 21.412 0.000) 22.042 5.237 ( 16.639 -6.801 0.000) 17.976 5.564 ( -2.983 0.690 0.000) 3.062 7.009 ( 3.518 -5.734 0.000) 6.727 7.099 ( -0.922 -3.933 0.000) 4.040 7.906 ( -5.016 0.774 0.000) 5.075 8.047 ( -2.160 11.641 0.000) 11.840 8.837 ( 4.737 -0.515 0.000) 4.765 9.644 ( -6.489 -1.026 0.000) 6.570 11.452 ( 10.720 -5.499 0.000) 12.049 12.579 ( -7.769 -8.371 0.000) 11.420 12.926 ( -5.031 11.529 0.000) 12.579 13.424 ( -3.778 7.417 0.000) 8.324 14.268 ( 12.117 -8.358 0.000) 14.720 14.872 ( -16.689 -18.224 0.000) 24.711 ======================= Grid point 31 (17/140) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 15.231 22.536 0.000) 27.200 3.052 ( 22.463 0.731 0.000) 22.475 3.933 ( -9.451 18.837 0.000) 21.074 4.149 ( -2.163 2.243 0.000) 3.116 5.499 ( 8.711 -7.861 0.000) 11.733 5.560 ( 2.164 -0.523 0.000) 2.226 7.074 ( 2.645 -4.547 0.000) 5.261 7.104 ( 0.996 -1.980 0.000) 2.216 7.833 ( -1.699 1.919 0.000) 2.563 7.983 ( -3.761 11.442 0.000) 12.044 8.956 ( 6.723 -1.260 0.000) 6.840 9.485 ( -8.621 -1.795 0.000) 8.806 11.681 ( 11.285 -6.142 0.000) 12.848 12.392 ( -10.322 -8.558 0.000) 13.409 12.883 ( 0.644 6.214 0.000) 6.247 13.276 ( -9.426 3.915 0.000) 10.207 14.461 ( 6.721 -7.207 0.000) 9.855 14.649 ( -5.555 -12.473 0.000) 13.654 ======================= Grid point 32 (18/140) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 14.247 17.770 0.000) 22.776 3.410 ( 6.558 5.529 0.000) 8.578 3.773 ( -0.494 12.852 0.000) 12.862 3.976 ( -12.701 2.644 0.000) 12.974 5.609 ( 2.354 -6.675 0.000) 7.078 5.611 ( 1.802 -3.856 0.000) 4.257 7.115 ( 1.228 -2.739 0.000) 3.002 7.122 ( 0.442 -1.680 0.000) 1.737 7.837 ( 1.937 5.017 0.000) 5.378 7.901 ( -3.886 8.869 0.000) 9.683 9.113 ( 8.426 -1.941 0.000) 8.646 9.298 ( -9.208 -2.163 0.000) 9.459 11.918 ( 11.593 -6.849 0.000) 13.465 12.160 ( -11.729 -7.808 0.000) 14.090 12.943 ( 4.983 2.518 0.000) 5.583 13.083 ( -8.406 1.580 0.000) 8.553 14.555 ( 2.679 -6.854 0.000) 7.359 14.591 ( -1.366 -8.258 0.000) 8.371 ======================= Grid point 42 (19/140) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 16.008 16.008 0.000) 22.639 2.866 ( 15.965 15.965 0.000) 22.577 3.802 ( 19.195 19.195 0.000) 27.146 4.566 ( 12.630 12.630 0.000) 17.861 4.791 ( 3.394 3.394 0.000) 4.800 5.628 ( -2.339 -2.339 0.000) 3.307 6.882 ( -0.798 -0.798 0.000) 1.129 7.067 ( -2.016 -2.016 0.000) 2.852 7.981 ( -3.649 -3.649 0.000) 5.161 8.210 ( 4.607 4.607 0.000) 6.515 8.776 ( 1.585 1.585 0.000) 2.242 9.708 ( -3.510 -3.510 0.000) 4.964 11.272 ( 4.995 4.995 0.000) 7.064 12.572 ( -7.154 -7.154 0.000) 10.117 13.158 ( -8.101 -8.101 0.000) 11.457 13.541 ( 2.284 2.284 0.000) 3.230 13.986 ( 10.792 10.792 0.000) 15.262 14.856 ( -21.046 -21.046 0.000) 29.763 ======================= Grid point 43 (20/140) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 20.013 9.555 0.000) 22.178 3.128 ( 11.045 18.380 0.000) 21.444 4.148 ( 11.710 9.251 0.000) 14.923 4.524 ( -8.882 19.201 0.000) 21.156 5.071 ( 15.547 -8.613 0.000) 17.774 5.576 ( -2.218 0.234 0.000) 2.231 6.903 ( 2.548 -4.048 0.000) 4.783 7.061 ( 0.937 -0.121 0.000) 0.945 7.901 ( -3.176 -0.889 0.000) 3.298 8.251 ( -0.491 7.743 0.000) 7.759 8.830 ( 3.690 -0.031 0.000) 3.690 9.599 ( -6.890 -3.508 0.000) 7.731 11.423 ( 8.867 2.136 0.000) 9.121 12.417 ( -7.992 -7.410 0.000) 10.899 12.949 ( -9.511 -8.563 0.000) 12.798 13.463 ( -10.332 -5.773 0.000) 11.836 14.242 ( 11.733 5.920 0.000) 13.142 14.542 ( -7.901 -10.781 0.000) 13.366 ======================= Grid point 44 (21/140) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 20.701 5.715 0.000) 21.475 3.358 ( 11.284 16.404 0.000) 19.910 4.236 ( -2.930 6.078 0.000) 6.747 4.305 ( -11.631 15.826 0.000) 19.640 5.333 ( 9.538 -7.445 0.000) 12.100 5.548 ( -0.640 -0.699 0.000) 0.947 6.972 ( 3.800 -4.888 0.000) 6.191 7.085 ( 0.966 -0.205 0.000) 0.988 7.877 ( 1.266 2.502 0.000) 2.804 8.198 ( -4.435 8.865 0.000) 9.913 8.928 ( 5.785 -1.315 0.000) 5.932 9.433 ( -8.851 -3.311 0.000) 9.450 11.618 ( 9.707 -0.357 0.000) 9.714 12.237 ( -9.430 -6.519 0.000) 11.464 12.810 ( -3.642 -12.518 0.000) 13.037 13.180 ( -14.521 -13.828 0.000) 20.051 14.437 ( 6.930 4.881 0.000) 8.476 14.494 ( 1.230 -1.188 0.000) 1.710 ======================= Grid point 45 (22/140) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 14.475 4.706 0.000) 15.221 3.572 ( 7.440 11.662 0.000) 13.833 4.079 ( -8.372 14.519 0.000) 16.760 4.089 ( -8.436 8.232 0.000) 11.787 5.473 ( 4.400 -6.035 0.000) 7.469 5.531 ( -1.490 -3.733 0.000) 4.020 7.046 ( 2.988 -3.750 0.000) 4.795 7.087 ( -0.920 -1.801 0.000) 2.023 7.951 ( 5.478 5.862 0.000) 8.023 8.081 ( -6.452 8.149 0.000) 10.393 9.069 ( 7.784 -2.288 0.000) 8.113 9.245 ( -9.041 -2.942 0.000) 9.508 11.821 ( 9.956 -2.720 0.000) 10.321 12.031 ( -10.232 -4.836 0.000) 11.317 12.802 ( 2.844 -15.473 0.000) 15.732 12.927 ( -9.302 -16.261 0.000) 18.734 14.528 ( 2.008 4.248 0.000) 4.699 14.530 ( 1.417 2.759 0.000) 3.102 ======================= Grid point 56 (23/140) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 15.007 15.007 0.000) 21.224 3.420 ( 10.880 10.880 0.000) 15.387 4.329 ( 6.457 6.457 0.000) 9.131 4.733 ( -4.722 -4.722 0.000) 6.677 5.015 ( 8.661 8.661 0.000) 12.249 5.566 ( -1.286 -1.286 0.000) 1.818 6.856 ( -0.266 -0.266 0.000) 0.377 7.074 ( 0.922 0.922 0.000) 1.304 7.892 ( 0.622 0.622 0.000) 0.880 8.354 ( 2.053 2.053 0.000) 2.904 8.845 ( 1.783 1.783 0.000) 2.521 9.497 ( -6.249 -6.249 0.000) 8.838 11.513 ( 5.866 5.866 0.000) 8.296 12.268 ( -7.084 -7.084 0.000) 10.018 12.693 ( -13.332 -13.332 0.000) 18.855 13.176 ( -19.419 -19.419 0.000) 27.462 14.426 ( 9.784 9.784 0.000) 13.837 14.473 ( 2.531 2.531 0.000) 3.579 ======================= Grid point 57 (24/140) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 17.509 10.824 0.000) 20.585 3.617 ( 8.608 9.371 0.000) 12.724 4.369 ( -2.625 5.560 0.000) 6.148 4.530 ( -11.417 4.711 0.000) 12.351 5.231 ( 9.175 -1.392 0.000) 9.280 5.524 ( -2.642 -1.799 0.000) 3.196 6.889 ( 3.154 -2.749 0.000) 4.184 7.081 ( -0.562 -0.508 0.000) 0.758 7.945 ( 4.674 4.256 0.000) 6.321 8.338 ( -3.397 4.490 0.000) 5.630 8.909 ( 4.353 -0.289 0.000) 4.363 9.347 ( -7.985 -4.937 0.000) 9.388 11.646 ( 6.779 2.567 0.000) 7.248 12.118 ( -7.612 -5.128 0.000) 9.178 12.469 ( -7.483 -17.719 0.000) 19.234 12.774 ( -17.492 -22.719 0.000) 28.672 14.566 ( 5.178 6.420 0.000) 8.248 14.597 ( 6.200 8.810 0.000) 10.773 ======================= Grid point 58 (25/140) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 13.516 7.454 0.000) 15.435 3.752 ( 2.448 6.779 0.000) 7.208 4.270 ( -4.188 7.831 0.000) 8.880 4.315 ( -8.123 7.530 0.000) 11.077 5.376 ( 5.143 -3.093 0.000) 6.001 5.461 ( -3.424 -2.960 0.000) 4.527 6.969 ( 4.155 -3.367 0.000) 5.348 7.045 ( -2.870 -2.307 0.000) 3.682 8.075 ( 7.406 6.039 0.000) 9.556 8.228 ( -6.819 5.917 0.000) 9.029 9.024 ( 6.654 -1.939 0.000) 6.930 9.178 ( -8.073 -3.448 0.000) 8.779 11.791 ( 7.337 -0.576 0.000) 7.360 11.953 ( -8.143 -2.943 0.000) 8.659 12.398 ( 0.640 -20.994 0.000) 21.004 12.497 ( -9.033 -22.893 0.000) 24.611 14.655 ( 2.935 7.735 0.000) 8.273 14.674 ( 1.272 8.313 0.000) 8.410 ======================= Grid point 70 (26/140) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( 13.330 13.330 0.000) 18.852 3.777 ( 6.496 6.496 0.000) 9.187 4.427 ( -0.345 -0.345 0.000) 0.488 4.508 ( -5.174 -5.174 0.000) 7.317 5.268 ( 3.684 3.684 0.000) 5.210 5.472 ( -3.049 -3.049 0.000) 4.312 6.869 ( 0.829 0.829 0.000) 1.172 7.054 ( -2.182 -2.182 0.000) 3.086 8.056 ( 6.369 6.369 0.000) 9.007 8.378 ( -0.598 -0.598 0.000) 0.846 8.925 ( 2.051 2.051 0.000) 2.900 9.232 ( -6.047 -6.047 0.000) 8.552 11.708 ( 3.133 3.133 0.000) 4.430 12.018 ( -4.714 -4.714 0.000) 6.666 12.156 ( -11.310 -11.310 0.000) 15.995 12.330 ( -18.604 -18.604 0.000) 26.310 14.706 ( 6.293 6.293 0.000) 8.900 14.755 ( 5.871 5.871 0.000) 8.302 ======================= Grid point 71 (27/140) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 9.403 8.380 0.000) 12.595 3.876 ( 1.918 5.242 0.000) 5.582 4.378 ( -2.744 2.487 0.000) 3.703 4.391 ( -4.396 0.548 0.000) 4.430 5.343 ( 3.271 -0.382 0.000) 3.293 5.407 ( -3.091 -2.264 0.000) 3.831 6.916 ( 3.365 -1.629 0.000) 3.739 6.992 ( -3.637 -2.734 0.000) 4.550 8.197 ( 6.791 5.528 0.000) 8.756 8.320 ( -4.737 2.849 0.000) 5.528 8.994 ( 4.518 -0.733 0.000) 4.578 9.105 ( -5.975 -3.493 0.000) 6.921 11.779 ( 4.243 -1.283 0.000) 4.433 11.901 ( -6.919 -2.471 0.000) 7.348 12.021 ( -1.993 -13.595 0.000) 13.740 12.062 ( -6.550 -17.449 0.000) 18.638 14.807 ( 3.186 6.332 0.000) 7.089 14.829 ( 1.199 6.029 0.000) 6.147 ======================= Grid point 84 (28/140) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( 4.423 4.423 0.000) 6.255 3.959 ( 2.269 2.269 0.000) 3.209 4.380 ( -0.586 -0.586 0.000) 0.829 4.387 ( -0.855 -0.855 0.000) 1.209 5.347 ( 0.619 0.619 0.000) 0.875 5.368 ( -1.451 -1.451 0.000) 2.053 6.906 ( 0.641 0.641 0.000) 0.906 6.938 ( -2.299 -2.299 0.000) 3.252 8.295 ( 3.752 3.752 0.000) 5.307 8.343 ( -0.675 -0.675 0.000) 0.954 8.998 ( 1.118 1.118 0.000) 1.580 9.039 ( -2.745 -2.745 0.000) 3.882 11.723 ( -2.242 -2.242 0.000) 3.171 11.771 ( -7.342 -7.342 0.000) 10.383 11.882 ( -1.344 -1.344 0.000) 1.901 11.888 ( -1.553 -1.553 0.000) 2.197 14.902 ( 2.634 2.634 0.000) 3.725 14.911 ( 1.787 1.787 0.000) 2.527 ======================= Grid point 169 (29/140) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -0.000 -0.000 28.922) 28.922 0.610 ( -0.000 -0.000 28.922) 28.922 1.053 ( -0.000 0.000 50.080) 50.080 3.336 ( 0.000 -0.000 -1.037) 1.037 3.336 ( 0.000 0.000 -1.037) 1.037 5.954 ( 0.000 0.000 -1.617) 1.617 6.966 ( 0.000 0.000 -1.400) 1.400 6.966 ( -0.000 0.000 -1.400) 1.400 7.822 ( -0.000 0.000 -2.046) 2.046 7.822 ( -0.000 0.000 -2.046) 2.046 9.714 ( 0.000 0.000 -2.428) 2.428 10.743 ( -0.000 0.000 -1.335) 1.335 11.388 ( -0.000 0.000 0.342) 0.342 11.388 ( 0.000 0.000 0.342) 0.342 12.943 ( -0.000 0.000 0.350) 0.350 13.015 ( 0.000 0.000 -0.787) 0.787 13.015 ( 0.000 0.000 -0.787) 0.787 16.926 ( -0.000 0.000 0.321) 0.321 ======================= Grid point 170 (30/140) ======================= q-point: ( 0.08 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 10.942 0.000 23.017) 25.485 0.914 ( 17.191 0.000 25.375) 30.650 1.549 ( 44.273 0.000 26.097) 51.392 3.367 ( 2.860 0.000 -0.981) 3.023 3.598 ( 23.318 0.000 -0.493) 23.324 5.902 ( -4.270 0.000 -2.688) 5.046 6.986 ( 1.767 0.000 -1.973) 2.648 7.407 ( 19.500 0.000 -23.394) 30.456 7.787 ( -3.267 0.000 -1.465) 3.580 7.797 ( -2.584 0.000 -2.106) 3.334 9.380 ( -33.961 0.000 35.412) 49.065 9.719 ( -0.321 0.000 -1.982) 2.008 11.432 ( 4.193 0.000 0.341) 4.207 12.475 ( 3.261 0.000 -18.161) 18.451 13.014 ( -0.104 0.000 -0.573) 0.582 13.043 ( 3.863 0.000 -0.060) 3.863 13.304 ( 33.266 0.000 -12.887) 35.675 16.774 ( -14.035 0.000 0.873) 14.062 ======================= Grid point 171 (31/140) ======================= q-point: ( 0.15 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 16.952 0.000 14.121) 22.062 1.352 ( 25.286 0.000 11.867) 27.932 2.531 ( 46.615 0.000 12.201) 48.185 3.442 ( 3.876 0.000 -0.853) 3.969 4.196 ( 32.133 0.000 -0.110) 32.134 5.782 ( -7.140 0.000 -4.060) 8.214 7.030 ( 2.233 0.000 -3.582) 4.221 7.638 ( 5.350 0.000 -16.393) 17.244 7.693 ( -5.701 0.000 0.215) 5.705 7.716 ( -4.764 0.000 -4.220) 6.364 9.050 ( -4.989 0.000 23.782) 24.300 9.712 ( -0.686 0.000 -3.296) 3.367 11.560 ( 8.114 0.000 0.381) 8.123 12.341 ( -8.978 0.000 -3.768) 9.736 13.009 ( -0.446 0.000 -0.009) 0.446 13.126 ( 3.912 0.000 3.136) 5.014 13.886 ( 23.190 0.000 -7.573) 24.395 16.375 ( -23.565 0.000 1.581) 23.618 ======================= Grid point 172 (32/140) ======================= q-point: ( 0.23 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 20.316 0.000 7.735) 21.739 1.920 ( 28.601 0.000 1.141) 28.624 3.392 ( 35.170 0.000 5.217) 35.555 3.508 ( 2.001 0.000 -0.764) 2.142 4.849 ( 29.625 0.000 -0.068) 29.625 5.626 ( -7.180 0.000 -4.039) 8.238 7.068 ( 1.269 0.000 -5.679) 5.819 7.562 ( -6.669 0.000 2.553) 7.141 7.613 ( -4.214 0.000 -3.658) 5.580 7.707 ( 1.670 0.000 -12.421) 12.533 9.030 ( 1.533 0.000 20.044) 20.103 9.685 ( -2.014 0.000 -3.351) 3.909 11.762 ( 11.223 0.000 0.539) 11.235 12.187 ( -5.337 0.000 -0.442) 5.355 12.992 ( -1.307 0.000 0.707) 1.486 13.179 ( 0.406 0.000 5.925) 5.939 14.300 ( 17.107 0.000 -2.764) 17.329 15.852 ( -25.514 0.000 3.032) 25.694 ======================= Grid point 173 (33/140) ======================= q-point: ( 0.31 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 22.082 0.000 3.642) 22.380 2.504 ( 27.275 0.000 -5.068) 27.742 3.504 ( -2.738 0.000 -0.820) 2.858 3.931 ( 15.793 0.000 -2.295) 15.958 5.378 ( 20.655 0.000 0.310) 20.658 5.531 ( -0.634 0.000 -1.031) 1.210 7.082 ( 0.263 0.000 -6.815) 6.820 7.426 ( -6.299 0.000 4.186) 7.563 7.551 ( -1.551 0.000 -5.638) 5.848 7.728 ( 0.464 0.000 -7.228) 7.243 9.083 ( 3.338 0.000 18.090) 18.395 9.625 ( -3.745 0.000 -1.645) 4.091 12.014 ( 12.856 0.000 0.843) 12.883 12.130 ( -0.084 0.000 0.636) 0.642 12.949 ( -2.925 0.000 1.343) 3.218 13.113 ( -7.220 0.000 6.718) 9.862 14.598 ( 11.795 0.000 0.588) 11.810 15.383 ( -18.584 0.000 5.482) 19.376 ======================= Grid point 174 (34/140) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 22.091 0.000 1.140) 22.120 3.034 ( 23.784 0.000 -8.666) 25.313 3.382 ( -9.195 0.000 -0.952) 9.245 4.039 ( -4.036 0.000 -8.987) 9.851 5.599 ( 6.871 0.000 2.648) 7.364 5.702 ( 9.899 0.000 1.155) 9.966 7.090 ( 0.844 0.000 -5.555) 5.619 7.304 ( -5.484 0.000 3.578) 6.548 7.554 ( 1.712 0.000 -5.703) 5.954 7.724 ( -1.012 0.000 -4.030) 4.156 9.165 ( 4.656 0.000 14.718) 15.437 9.530 ( -5.430 0.000 1.670) 5.681 12.183 ( 5.173 0.000 1.179) 5.306 12.281 ( 12.671 0.000 1.236) 12.731 12.865 ( -5.323 0.000 1.729) 5.596 12.888 ( -13.667 0.000 5.270) 14.648 14.792 ( 7.081 0.000 3.718) 7.998 15.103 ( -8.835 0.000 8.035) 11.943 ======================= Grid point 175 (35/140) ======================= q-point: ( 0.46 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 19.942 0.000 -0.263) 19.944 3.125 ( -15.458 0.000 -0.874) 15.483 3.483 ( 19.537 0.000 -10.643) 22.248 3.836 ( -14.238 0.000 -11.154) 18.087 5.744 ( 5.845 0.000 3.077) 6.605 5.805 ( 0.484 0.000 2.162) 2.215 7.126 ( 2.704 0.000 -2.469) 3.662 7.201 ( -4.416 0.000 0.966) 4.521 7.612 ( 3.554 0.000 -4.212) 5.511 7.683 ( -2.908 0.000 -3.090) 4.243 9.276 ( 5.968 0.000 10.252) 11.862 9.406 ( -6.365 0.000 5.785) 8.601 12.342 ( 10.082 0.000 1.961) 10.271 12.527 ( 10.896 0.000 1.601) 11.013 12.593 ( -13.859 0.000 3.337) 14.255 12.726 ( -8.188 0.000 1.801) 8.384 14.903 ( 4.099 0.000 6.677) 7.835 14.981 ( -4.009 0.000 8.536) 9.431 ======================= Grid point 183 (36/140) ======================= q-point: ( 0.08 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 13.886 13.886 16.189) 25.450 1.286 ( 22.960 22.960 15.183) 35.845 1.738 ( 26.119 26.119 21.889) 42.937 3.533 ( 8.984 8.984 -0.761) 12.728 3.709 ( 15.753 15.753 -0.097) 22.279 5.864 ( -3.497 -3.497 -3.402) 6.002 6.942 ( -0.955 -0.955 -1.388) 1.936 7.603 ( 10.069 10.069 -20.540) 24.993 7.664 ( -6.534 -6.534 -3.667) 9.942 7.860 ( 1.924 1.924 -2.203) 3.501 9.193 ( -11.336 -11.336 30.233) 34.220 9.718 ( -0.037 -0.037 -3.041) 3.042 11.273 ( -3.926 -3.926 1.254) 5.693 12.952 ( 10.878 10.878 -17.544) 23.333 12.970 ( -2.163 -2.163 -0.686) 3.134 13.122 ( 6.489 6.489 0.095) 9.178 13.237 ( 9.472 9.472 -2.955) 13.717 16.628 ( -13.732 -13.732 1.084) 19.450 ======================= Grid point 184 (37/140) ======================= q-point: ( 0.15 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 22.559 12.087 6.073) 26.304 1.575 ( 11.944 31.380 13.347) 36.132 2.566 ( 44.032 4.607 9.870) 45.359 3.645 ( 4.007 17.448 -0.379) 17.906 4.232 ( 30.002 3.798 0.137) 30.241 5.762 ( -6.252 -1.898 -4.348) 7.848 6.961 ( 2.243 -4.311 -2.131) 5.306 7.493 ( -7.985 -10.225 -0.239) 12.976 7.751 ( 3.150 7.653 -17.673) 19.515 7.874 ( -0.735 6.643 -2.636) 7.185 9.043 ( -3.286 -0.729 23.260) 23.503 9.713 ( -0.673 0.049 -4.314) 4.366 11.310 ( 5.920 -12.792 1.623) 14.189 12.785 ( -11.628 29.967 -4.919) 32.518 12.928 ( -2.093 -5.049 -0.183) 5.469 13.233 ( 5.106 7.224 3.954) 9.690 13.742 ( 24.479 -12.121 -5.130) 27.793 16.235 ( -23.286 -13.244 1.781) 26.848 ======================= Grid point 185 (38/140) ======================= q-point: ( 0.23 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 16.817 28.342 5.253) 33.372 1.944 ( 24.913 4.588 2.450) 25.450 3.384 ( 32.585 1.076 2.320) 32.686 3.715 ( 3.097 17.201 0.795) 17.496 4.846 ( 27.878 -0.395 0.001) 27.881 5.623 ( -6.483 -0.281 -3.977) 7.611 7.013 ( 2.412 -4.243 -3.807) 6.190 7.347 ( -5.717 -10.473 0.489) 11.942 7.776 ( -0.068 5.333 -12.131) 13.251 7.828 ( -3.360 10.682 -2.448) 11.462 9.026 ( 1.012 -0.479 20.038) 20.069 9.684 ( -2.166 -0.094 -4.377) 4.884 11.476 ( 9.560 -14.937 1.840) 17.830 12.596 ( -6.115 26.245 -1.787) 27.007 12.876 ( -3.196 -7.610 0.738) 8.287 13.314 ( 2.011 9.149 6.113) 11.185 14.177 ( 17.858 -10.861 -2.367) 21.035 15.718 ( -25.155 -12.616 3.220) 28.325 ======================= Grid point 186 (39/140) ======================= q-point: ( 0.31 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 17.992 23.764 3.812) 30.050 2.488 ( 26.237 -0.560 -4.380) 26.606 3.663 ( -1.909 13.518 -2.307) 13.846 3.946 ( 14.091 2.197 -1.616) 14.353 5.342 ( 19.326 -3.467 0.127) 19.635 5.537 ( -0.592 0.557 -0.827) 1.160 7.052 ( 1.346 -2.608 -4.996) 5.794 7.263 ( -2.526 -8.538 1.976) 9.120 7.733 ( -3.831 7.834 -7.112) 11.253 7.782 ( -0.821 7.186 -3.933) 8.233 9.069 ( 2.954 -1.373 17.512) 17.812 9.621 ( -4.019 -0.529 -2.364) 4.693 11.686 ( 10.450 -14.533 2.030) 18.015 12.540 ( 0.592 21.828 -0.819) 21.852 12.785 ( -5.875 -9.943 1.777) 11.685 13.290 ( -4.610 10.851 5.985) 13.222 14.487 ( 12.188 -9.964 0.326) 15.746 15.259 ( -17.955 -11.574 5.708) 22.112 ======================= Grid point 187 (40/140) ======================= q-point: ( 0.38 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 19.296 18.030 1.514) 26.452 2.999 ( 22.505 -1.735 -7.082) 23.657 3.549 ( -8.209 14.086 -2.035) 16.430 4.043 ( -4.114 0.578 -8.437) 9.404 5.591 ( 6.423 -1.055 2.515) 6.978 5.652 ( 9.053 -4.361 1.120) 10.111 7.080 ( 1.655 -0.949 -4.055) 4.482 7.223 ( -1.865 -5.201 2.394) 6.022 7.672 ( -1.509 7.492 -6.284) 9.894 7.762 ( -1.379 4.589 -2.918) 5.611 9.147 ( 4.583 -1.774 13.951) 14.791 9.519 ( -5.684 -1.039 1.294) 5.921 11.904 ( 10.639 -12.900 2.079) 16.850 12.606 ( 2.673 11.477 0.176) 11.785 12.625 ( -6.909 -5.942 2.195) 9.373 13.137 ( -9.231 11.497 3.742) 15.212 14.688 ( 7.403 -9.281 3.253) 12.310 14.994 ( -8.127 -9.963 8.217) 15.259 ======================= Grid point 188 (41/140) ======================= q-point: ( 0.46 0.08 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 18.085 14.007 0.056) 22.875 3.229 ( -9.635 8.499 -1.261) 12.910 3.515 ( 14.395 4.140 -9.305) 17.633 3.841 ( -14.030 0.697 -10.448) 17.507 5.715 ( 4.679 -2.669 3.127) 6.229 5.756 ( 1.171 -4.459 2.144) 5.085 7.123 ( 2.436 -0.415 -1.851) 3.088 7.176 ( -2.587 -1.983 0.732) 3.341 7.676 ( 1.661 5.238 -4.746) 7.261 7.722 ( -2.346 4.054 -2.968) 5.545 9.258 ( 6.069 -1.720 9.732) 11.598 9.391 ( -6.547 -1.445 5.493) 8.668 12.133 ( 11.634 -11.513 2.185) 16.513 12.384 ( -12.338 -11.385 2.513) 16.976 12.759 ( 8.257 13.030 0.687) 15.441 12.942 ( -9.268 11.433 1.808) 14.829 14.805 ( 4.271 -8.760 6.307) 11.608 14.882 ( -3.762 -8.845 8.436) 12.789 ======================= Grid point 197 (42/140) ======================= q-point: ( 0.15 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 16.820 16.820 3.245) 24.007 2.205 ( 20.496 20.496 10.233) 30.739 2.842 ( 25.395 25.395 3.826) 36.118 4.011 ( 13.161 13.161 -0.655) 18.623 4.404 ( 15.183 15.183 0.899) 21.490 5.703 ( -3.773 -3.773 -4.716) 7.122 6.909 ( -0.495 -0.495 -0.611) 0.929 7.298 ( -8.129 -8.129 0.174) 11.497 7.864 ( 2.557 2.557 -15.283) 15.705 7.983 ( 3.905 3.905 -3.065) 6.317 9.021 ( -1.227 -1.227 21.729) 21.798 9.708 ( -0.721 -0.721 -6.057) 6.142 11.184 ( 0.298 0.298 2.440) 2.477 12.826 ( -4.869 -4.869 -0.248) 6.890 13.308 ( 1.087 1.087 0.013) 1.537 13.310 ( 8.671 8.671 -2.335) 12.483 13.586 ( 8.008 8.008 1.241) 11.393 15.855 ( -22.497 -22.497 2.459) 31.910 ======================= Grid point 198 (43/140) ======================= q-point: ( 0.23 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 22.419 9.270 -0.392) 24.263 2.475 ( 10.012 30.419 7.562) 32.906 3.468 ( 29.183 8.027 -1.309) 30.295 4.142 ( 1.589 22.417 0.082) 22.474 4.827 ( 22.137 -1.632 0.371) 22.200 5.613 ( -4.436 -0.722 -3.807) 5.890 6.932 ( 2.299 -3.076 -0.581) 3.883 7.170 ( -4.028 -6.249 1.275) 7.544 7.866 ( -1.749 2.568 -10.945) 11.377 8.027 ( 0.294 8.315 -3.632) 9.079 9.005 ( -0.014 -1.577 19.032) 19.097 9.675 ( -2.590 -1.032 -6.191) 6.790 11.280 ( 7.951 -3.815 2.556) 9.182 12.721 ( -5.493 -7.261 0.233) 9.107 13.078 ( -10.821 17.296 -1.616) 20.466 13.492 ( 4.015 7.214 5.923) 10.161 13.934 ( 17.986 -9.256 -1.837) 20.311 15.359 ( -23.780 -20.963 3.949) 31.946 ======================= Grid point 199 (44/140) ======================= q-point: ( 0.31 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 23.429 4.014 -3.218) 23.987 2.698 ( 12.249 28.099 4.805) 31.027 3.904 ( 10.325 6.838 -7.099) 14.274 4.130 ( -1.405 17.574 1.197) 17.671 5.235 ( 16.483 -6.829 -0.160) 17.842 5.553 ( -0.556 0.887 -0.517) 1.167 6.988 ( 2.905 -3.372 -1.318) 4.642 7.130 ( -0.252 -4.019 2.510) 4.745 7.812 ( -2.952 2.246 -7.231) 8.127 8.003 ( -2.348 10.833 -4.140) 11.833 9.026 ( 2.149 -2.660 15.431) 15.805 9.599 ( -4.653 -1.631 -3.752) 6.196 11.478 ( 10.583 -5.564 2.387) 12.192 12.589 ( -7.406 -8.806 0.940) 11.545 12.913 ( -4.937 11.873 -1.260) 12.921 13.484 ( -5.077 6.770 5.420) 10.049 14.256 ( 13.057 -9.663 -1.045) 16.277 14.943 ( -15.034 -17.338 6.732) 23.915 ======================= Grid point 200 (45/140) ======================= q-point: ( 0.38 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 16.179 14.695 -1.431) 21.904 3.023 ( 20.072 10.521 -0.907) 22.680 3.885 ( -7.983 15.998 -4.629) 18.469 4.089 ( -5.365 5.457 -5.369) 9.348 5.497 ( 9.015 -7.729 0.304) 11.879 5.595 ( 3.661 -1.047 2.770) 4.709 7.048 ( 2.883 -2.362 -1.391) 3.978 7.137 ( 0.390 -2.698 2.320) 3.580 7.768 ( -0.849 3.118 -5.406) 6.299 7.939 ( -3.675 10.401 -4.216) 11.810 9.095 ( 4.429 -3.161 11.687) 12.891 9.486 ( -6.243 -2.255 0.383) 6.649 11.704 ( 11.102 -6.383 2.061) 12.971 12.408 ( -10.150 -9.134 1.470) 13.734 12.873 ( 0.856 6.217 -0.947) 6.346 13.305 ( -10.823 3.029 2.607) 11.537 14.476 ( 8.298 -8.720 1.459) 12.125 14.746 ( -5.092 -11.926 8.892) 15.724 ======================= Grid point 201 (46/140) ======================= q-point: ( 0.46 0.15 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 13.912 16.510 -0.361) 21.594 3.383 ( 9.237 6.503 -2.427) 11.554 3.714 ( -3.531 14.269 -5.232) 15.603 3.888 ( -12.835 4.922 -7.684) 15.748 5.625 ( 3.648 -6.504 1.858) 7.685 5.652 ( 1.009 -4.606 2.981) 5.579 7.102 ( 2.151 -1.784 -0.722) 2.886 7.133 ( -0.834 -1.930 0.760) 2.236 7.786 ( 2.475 5.399 -4.537) 7.474 7.857 ( -4.034 8.152 -4.110) 9.981 9.207 ( 6.310 -3.102 8.198) 10.800 9.347 ( -6.965 -2.753 4.588) 8.783 11.937 ( 11.488 -7.252 1.759) 13.699 12.178 ( -11.698 -8.353 1.641) 14.468 12.939 ( 5.404 2.257 -0.321) 5.865 13.091 ( -9.137 1.028 0.714) 9.222 14.607 ( 4.586 -8.058 4.892) 10.483 14.677 ( -2.633 -8.740 7.914) 12.081 ======================= Grid point 211 (47/140) ======================= q-point: ( 0.23 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 15.612 15.612 -1.124) 22.108 2.952 ( 15.544 15.544 8.104) 23.428 3.742 ( 17.156 17.156 -5.906) 24.971 4.552 ( 12.289 12.289 -1.526) 17.447 4.808 ( 3.688 3.688 1.456) 5.416 5.590 ( -1.378 -1.378 -2.871) 3.470 6.898 ( -0.152 -0.152 1.614) 1.628 7.093 ( -1.431 -1.431 2.444) 3.173 7.877 ( -1.255 -1.255 -7.982) 8.177 8.160 ( 4.181 4.181 -4.762) 7.592 8.971 ( -1.279 -1.279 15.940) 16.042 9.634 ( -3.037 -3.037 -6.505) 7.795 11.299 ( 4.792 4.792 2.427) 7.198 12.573 ( -7.123 -7.123 0.110) 10.074 13.162 ( -8.027 -8.027 0.291) 11.355 13.602 ( 2.273 2.273 4.952) 5.903 13.944 ( 9.679 9.679 -3.536) 14.137 14.918 ( -19.525 -19.525 5.939) 28.244 ======================= Grid point 212 (48/140) ======================= q-point: ( 0.31 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 19.338 10.042 -2.241) 21.905 3.198 ( 10.217 19.005 6.553) 22.551 4.050 ( 9.831 8.370 -8.826) 15.640 4.535 ( -7.677 19.092 0.317) 20.580 5.068 ( 14.941 -8.843 -0.328) 17.365 5.569 ( -0.362 0.519 -0.254) 0.682 6.922 ( 2.324 -2.577 2.052) 4.031 7.094 ( 0.961 0.014 3.063) 3.210 7.837 ( -1.829 0.404 -5.345) 5.663 8.195 ( -0.691 7.303 -5.391) 9.103 8.968 ( 1.208 -2.638 11.767) 12.119 9.549 ( -5.146 -3.356 -4.319) 7.510 11.444 ( 8.550 1.745 1.906) 8.932 12.420 ( -7.887 -7.706 0.262) 11.030 12.949 ( -9.714 -8.005 -0.015) 12.587 13.500 ( -12.034 -7.263 3.218) 14.420 14.196 ( 12.361 4.481 -4.130) 13.782 14.640 ( -6.586 -9.402 9.062) 14.625 ======================= Grid point 213 (49/140) ======================= q-point: ( 0.38 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 19.812 6.906 -3.665) 21.299 3.415 ( 10.852 17.060 5.189) 20.874 4.106 ( -3.767 7.537 -9.931) 13.024 4.338 ( -10.810 15.163 0.913) 18.644 5.327 ( 9.831 -7.949 -0.593) 12.657 5.573 ( 0.271 -1.229 2.274) 2.599 6.984 ( 3.368 -3.400 1.402) 4.987 7.110 ( 0.271 -0.393 2.299) 2.348 7.830 ( 1.551 3.079 -4.273) 5.491 8.140 ( -4.363 8.471 -5.506) 11.005 9.024 ( 4.154 -3.416 8.373) 9.952 9.425 ( -6.654 -3.582 -0.497) 7.573 11.632 ( 9.391 -0.889 1.283) 9.520 12.241 ( -9.375 -7.053 0.423) 11.739 12.807 ( -3.697 -12.039 -0.261) 12.596 13.192 ( -15.242 -14.363 1.097) 20.971 14.415 ( 8.584 3.286 -1.617) 9.333 14.594 ( 0.262 -1.650 8.900) 9.056 ======================= Grid point 214 (50/140) ======================= q-point: ( 0.46 0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 15.570 6.234 -4.142) 17.275 3.606 ( 4.081 11.040 2.367) 12.005 3.985 ( -3.543 11.540 -6.803) 13.857 4.101 ( -11.305 14.015 -0.218) 18.007 5.481 ( 5.365 -6.728 0.643) 8.629 5.557 ( -2.112 -4.541 2.254) 5.492 7.051 ( 2.937 -2.853 0.783) 4.169 7.098 ( -1.486 -1.639 1.082) 2.462 7.904 ( 5.256 5.902 -4.435) 9.063 8.027 ( -6.164 7.846 -5.074) 11.194 9.135 ( 6.421 -3.681 5.913) 9.473 9.279 ( -7.252 -3.702 3.192) 8.746 11.830 ( 9.752 -3.330 0.765) 10.333 12.037 ( -10.169 -5.463 0.516) 11.555 12.800 ( 2.978 -15.196 -0.173) 15.486 12.929 ( -9.606 -16.254 0.232) 18.881 14.548 ( 4.262 2.603 2.086) 5.412 14.597 ( -0.695 1.352 5.910) 6.102 ======================= Grid point 225 (51/140) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 15.082 15.082 -1.778) 21.403 3.493 ( 10.664 10.664 6.946) 16.605 4.216 ( 5.932 5.932 -9.943) 13.009 4.772 ( -3.952 -3.952 2.976) 6.332 4.984 ( 8.288 8.288 -3.014) 12.103 5.569 ( -0.630 -0.630 0.499) 1.021 6.895 ( 0.154 0.154 3.861) 3.868 7.105 ( 0.538 0.538 2.831) 2.931 7.848 ( 1.153 1.153 -4.011) 4.329 8.292 ( 1.905 1.905 -5.994) 6.572 8.935 ( -0.225 -0.225 7.854) 7.860 9.460 ( -5.162 -5.162 -3.191) 7.967 11.524 ( 5.390 5.390 1.037) 7.693 12.266 ( -7.291 -7.291 -0.209) 10.313 12.698 ( -13.349 -13.349 0.430) 18.883 13.190 ( -20.031 -20.031 1.269) 28.356 14.368 ( 9.965 9.965 -4.913) 14.924 14.579 ( 1.854 1.854 9.301) 9.663 ======================= Grid point 226 (52/140) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 17.263 11.613 -2.005) 20.902 3.683 ( 8.076 9.545 6.200) 13.956 4.253 ( -2.129 5.814 -9.387) 11.244 4.575 ( -11.348 5.954 2.820) 13.122 5.206 ( 9.595 -2.626 -2.466) 10.249 5.538 ( -2.443 -2.304 1.252) 3.584 6.927 ( 2.682 -1.764 3.760) 4.944 7.101 ( -1.038 -0.756 1.910) 2.302 7.904 ( 4.496 4.315 -3.870) 7.336 8.275 ( -3.283 4.382 -6.021) 8.138 8.966 ( 3.258 -1.839 5.168) 6.380 9.338 ( -6.486 -4.771 -0.733) 8.085 11.648 ( 6.380 1.996 0.179) 6.687 12.112 ( -7.751 -5.607 -0.548) 9.583 12.472 ( -7.606 -17.667 0.245) 19.236 12.781 ( -17.725 -22.858 0.597) 28.932 14.554 ( 7.444 8.359 -3.220) 11.647 14.644 ( 3.368 4.962 6.506) 8.848 ======================= Grid point 227 (53/140) ======================= q-point: ( 0.46 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.607 ( 14.366 8.816 -1.980) 16.971 3.786 ( -0.816 7.337 2.657) 7.846 4.202 ( 0.707 8.332 -4.642) 9.564 4.340 ( -10.625 7.824 1.536) 13.284 5.365 ( 6.045 -4.184 -1.236) 7.455 5.469 ( -4.168 -3.937 0.495) 5.755 6.994 ( 3.531 -2.426 2.588) 5.005 7.061 ( -2.746 -1.923 1.681) 3.750 8.027 ( 6.932 5.929 -4.632) 10.231 8.170 ( -6.460 5.810 -5.525) 10.296 9.063 ( 5.869 -3.096 3.562) 7.531 9.198 ( -6.899 -4.071 1.787) 8.208 11.786 ( 7.107 -1.166 -0.435) 7.215 11.945 ( -8.122 -3.535 -0.677) 8.884 12.399 ( 0.636 -21.009 0.106) 21.019 12.499 ( -9.170 -22.946 0.242) 24.712 14.666 ( 3.257 7.270 -0.379) 7.975 14.691 ( 0.731 6.297 2.928) 6.983 ======================= Grid point 239 (54/140) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 13.882 13.882 -0.914) 19.654 3.843 ( 6.353 6.353 6.336) 10.994 4.315 ( 0.168 0.168 -8.256) 8.260 4.568 ( -5.419 -5.419 3.651) 8.489 5.227 ( 3.558 3.558 -4.034) 6.449 5.476 ( -3.609 -3.609 0.171) 5.107 6.918 ( 0.898 0.898 4.765) 4.931 7.073 ( -2.047 -2.047 1.840) 3.430 8.012 ( 6.064 6.064 -4.226) 9.560 8.315 ( -0.497 -0.497 -6.039) 6.079 8.958 ( 1.224 1.224 3.047) 3.505 9.231 ( -5.521 -5.521 -0.114) 7.808 11.700 ( 2.776 2.776 -0.762) 3.999 12.004 ( -5.076 -5.076 -1.382) 7.310 12.157 ( -11.525 -11.525 0.060) 16.298 12.334 ( -18.715 -18.715 0.371) 26.470 14.713 ( 6.359 6.359 -2.840) 9.430 14.751 ( 4.574 4.574 3.113) 7.178 ======================= Grid point 240 (55/140) ======================= q-point: ( 0.46 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( 10.765 9.824 0.433) 14.581 3.926 ( 0.066 6.075 4.486) 7.552 4.307 ( 1.294 2.053 -4.715) 5.303 4.415 ( -7.931 -0.121 1.115) 8.010 5.311 ( 4.115 -1.248 -3.272) 5.403 5.395 ( -4.066 -3.218 -1.423) 5.377 6.958 ( 2.719 -0.997 4.139) 5.052 7.019 ( -2.984 -2.086 2.751) 4.563 8.145 ( 6.405 5.361 -4.969) 9.719 8.261 ( -4.461 2.857 -5.652) 7.747 9.015 ( 4.042 -1.395 1.874) 4.669 9.116 ( -5.441 -3.765 0.916) 6.680 11.767 ( 4.124 -1.252 -1.197) 4.473 11.884 ( -6.655 -2.597 -1.577) 7.315 12.017 ( -2.148 -14.222 -0.357) 14.388 12.061 ( -6.974 -17.898 -0.081) 19.209 14.805 ( 2.492 5.653 -1.515) 6.361 14.816 ( 1.464 5.170 0.197) 5.377 ======================= Grid point 253 (56/140) ======================= q-point: ( 0.46 0.46 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.980 ( 6.024 6.024 3.429) 9.184 4.020 ( 2.171 2.171 5.843) 6.601 4.322 ( 0.686 0.686 -4.865) 4.960 4.369 ( -3.333 -3.333 -1.807) 5.049 5.305 ( 0.656 0.656 -4.128) 4.231 5.337 ( -2.302 -2.302 -3.214) 4.574 6.954 ( 0.604 0.604 4.725) 4.802 6.979 ( -1.693 -1.693 4.055) 4.709 8.240 ( 3.602 3.602 -5.307) 7.356 8.285 ( -0.581 -0.581 -5.559) 5.619 9.009 ( 0.847 0.847 1.017) 1.571 9.047 ( -2.714 -2.714 0.719) 3.905 11.720 ( -1.874 -1.874 -0.289) 2.667 11.772 ( -7.378 -7.378 0.081) 10.435 11.858 ( -1.932 -1.932 -2.173) 3.492 11.861 ( -1.779 -1.779 -2.511) 3.554 14.887 ( 2.086 2.086 -1.813) 3.462 14.890 ( 1.807 1.807 -1.505) 2.966 ======================= Grid point 338 (57/140) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.000 -0.000 24.145) 24.145 1.157 ( -0.000 0.000 24.145) 24.145 2.005 ( -0.000 -0.000 42.319) 42.319 3.302 ( 0.000 -0.000 -2.368) 2.368 3.302 ( 0.000 0.000 -2.368) 2.368 5.894 ( 0.000 0.000 -4.335) 4.335 6.930 ( -0.000 0.000 -1.919) 1.919 6.930 ( -0.000 -0.000 -1.919) 1.919 7.768 ( 0.000 0.000 -2.996) 2.996 7.768 ( -0.000 0.000 -2.996) 2.996 9.654 ( -0.000 -0.000 -3.146) 3.146 10.707 ( -0.000 0.000 -2.015) 2.015 11.397 ( 0.000 0.000 0.482) 0.482 11.397 ( 0.000 0.000 0.482) 0.482 12.952 ( 0.000 0.000 0.494) 0.494 12.994 ( 0.000 0.000 -1.109) 1.109 12.994 ( -0.000 0.000 -1.109) 1.109 16.935 ( -0.000 -0.000 0.449) 0.449 ======================= Grid point 339 (58/140) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 4.787 0.000 21.979) 22.494 1.444 ( 16.999 0.000 25.011) 30.241 2.139 ( 18.932 0.000 28.236) 33.996 3.335 ( 3.083 0.000 -2.171) 3.770 3.587 ( 24.722 0.000 -0.264) 24.723 5.832 ( -5.320 0.000 -4.127) 6.734 6.934 ( 0.317 0.000 -2.798) 2.816 7.107 ( 12.701 0.000 -8.529) 15.299 7.739 ( -2.928 0.000 -3.438) 4.516 7.749 ( -1.796 0.000 -2.118) 2.777 9.617 ( -4.739 0.000 -3.714) 6.020 9.933 ( -30.761 0.000 16.651) 34.978 11.441 ( 4.203 0.000 0.482) 4.230 12.123 ( 22.872 0.000 -13.679) 26.650 12.999 ( 0.415 0.000 -0.807) 0.908 13.048 ( 7.094 0.000 0.558) 7.116 13.165 ( 21.269 0.000 -3.126) 21.497 16.793 ( -13.273 0.000 0.937) 13.306 ======================= Grid point 340 (59/140) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.780 0.000 16.577) 19.247 1.702 ( 11.844 0.000 21.294) 24.366 2.783 ( 36.546 0.000 9.991) 37.887 3.415 ( 4.170 0.000 -1.706) 4.505 4.201 ( 32.355 0.000 0.892) 32.367 5.697 ( -7.250 0.000 -3.642) 8.113 6.939 ( -0.010 0.000 -4.902) 4.902 7.329 ( 7.835 0.000 -11.639) 14.030 7.652 ( -4.889 0.000 -3.659) 6.106 7.696 ( -3.300 0.000 0.058) 3.301 9.430 ( -7.489 0.000 8.332) 11.202 9.678 ( -2.600 0.000 4.205) 4.944 11.570 ( 8.224 0.000 0.539) 8.241 12.253 ( -2.458 0.000 -4.219) 4.883 13.008 ( 0.402 0.000 -0.015) 0.402 13.211 ( 7.985 0.000 4.858) 9.346 13.727 ( 27.409 0.000 -7.184) 28.335 16.416 ( -22.157 0.000 2.196) 22.266 ======================= Grid point 341 (60/140) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 14.552 0.000 10.333) 17.847 2.010 ( 17.802 0.000 8.067) 19.544 3.463 ( 26.640 0.000 0.309) 26.642 3.486 ( 2.135 0.000 -1.290) 2.494 4.856 ( 29.731 0.000 0.908) 29.745 5.564 ( -4.575 0.000 -1.119) 4.710 6.934 ( -0.282 0.000 -6.745) 6.751 7.419 ( 0.620 0.000 -10.474) 10.493 7.585 ( -0.273 0.000 -3.327) 3.338 7.613 ( -4.654 0.000 2.233) 5.162 9.363 ( -0.354 0.000 7.469) 7.478 9.655 ( -0.177 0.000 4.197) 4.201 11.776 ( 11.514 0.000 0.761) 11.540 12.179 ( -3.257 0.000 -0.205) 3.263 13.010 ( -0.418 0.000 0.988) 1.073 13.334 ( 2.772 0.000 8.652) 9.085 14.231 ( 21.287 0.000 -3.683) 21.603 15.933 ( -22.932 0.000 4.522) 23.374 ======================= Grid point 342 (61/140) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 18.146 0.000 5.145) 18.861 2.414 ( 20.562 0.000 -2.692) 20.738 3.483 ( -2.855 0.000 -1.197) 3.095 3.818 ( 7.174 0.000 -8.694) 11.272 5.393 ( 21.432 0.000 0.956) 21.453 5.549 ( 3.492 0.000 3.159) 4.709 6.937 ( 0.826 0.000 -6.869) 6.919 7.402 ( -0.580 0.000 -7.361) 7.384 7.503 ( -6.063 0.000 3.101) 6.810 7.620 ( 2.295 0.000 -3.926) 4.548 9.378 ( 1.484 0.000 6.004) 6.185 9.655 ( -0.203 0.000 7.663) 7.666 12.036 ( 13.310 0.000 1.187) 13.363 12.149 ( 0.652 0.000 1.108) 1.286 12.984 ( -2.262 0.000 1.877) 2.940 13.283 ( -8.180 0.000 9.085) 12.225 14.613 ( 15.774 0.000 0.763) 15.793 15.530 ( -14.949 0.000 8.293) 17.096 ======================= Grid point 343 (62/140) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 19.702 0.000 1.624) 19.769 2.837 ( 19.963 0.000 -9.323) 22.033 3.358 ( -9.303 0.000 -1.341) 9.399 3.796 ( -7.619 0.000 -13.579) 15.570 5.676 ( 7.531 0.000 4.140) 8.594 5.727 ( 10.744 0.000 1.511) 10.849 6.978 ( 3.337 0.000 -5.114) 6.106 7.365 ( -7.161 0.000 2.336) 7.532 7.428 ( 3.210 0.000 -5.531) 6.395 7.649 ( 0.063 0.000 -3.355) 3.355 9.422 ( 2.759 0.000 7.039) 7.561 9.635 ( -1.940 0.000 9.975) 10.162 12.215 ( 5.814 0.000 1.721) 6.063 12.313 ( 13.169 0.000 1.734) 13.283 12.910 ( -5.036 0.000 2.416) 5.585 13.018 ( -16.143 0.000 6.690) 17.474 14.889 ( 11.062 0.000 5.379) 12.300 15.315 ( -6.819 0.000 11.631) 13.482 ======================= Grid point 344 (63/140) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 18.726 0.000 -0.390) 18.730 3.102 ( -15.094 0.000 -1.246) 15.146 3.228 ( 17.666 0.000 -12.844) 21.841 3.561 ( -14.221 0.000 -14.280) 20.153 5.811 ( 4.705 0.000 2.994) 5.576 5.849 ( 1.492 0.000 1.850) 2.377 7.075 ( 5.882 0.000 -2.385) 6.347 7.213 ( -7.247 0.000 0.327) 7.255 7.521 ( 5.168 0.000 -4.045) 6.563 7.615 ( -3.365 0.000 -3.262) 4.686 9.492 ( 3.938 0.000 9.150) 9.962 9.575 ( -3.719 0.000 10.402) 11.047 12.391 ( 11.253 0.000 2.584) 11.546 12.569 ( 11.274 0.000 2.239) 11.494 12.675 ( -15.839 0.000 4.202) 16.387 12.772 ( -8.285 0.000 2.517) 8.659 15.077 ( 7.305 0.000 9.504) 11.987 15.202 ( -5.084 0.000 11.970) 13.005 ======================= Grid point 352 (64/140) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 7.727 7.727 22.626) 25.127 1.652 ( 19.230 19.230 18.912) 33.125 2.203 ( 11.820 11.820 20.688) 26.597 3.505 ( 9.183 9.183 -2.099) 13.156 3.717 ( 16.910 16.910 1.246) 23.946 5.785 ( -4.232 -4.232 -4.105) 7.258 6.907 ( -0.810 -0.810 -1.823) 2.154 7.252 ( 9.689 9.689 -12.239) 18.373 7.634 ( -6.338 -6.338 -1.637) 9.112 7.802 ( 1.648 1.648 -3.284) 4.027 9.561 ( -6.144 -6.144 -0.389) 8.697 9.761 ( -9.599 -9.599 13.800) 19.358 11.305 ( -3.046 -3.046 1.751) 4.649 12.575 ( 21.295 21.295 -15.878) 34.045 12.953 ( -1.968 -1.968 -0.885) 2.921 13.123 ( 6.282 6.282 0.067) 8.884 13.234 ( 10.300 10.300 1.075) 14.607 16.654 ( -13.088 -13.088 1.343) 18.558 ======================= Grid point 353 (65/140) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 12.617 9.713 15.174) 21.995 1.896 ( 6.894 25.112 16.868) 31.027 2.759 ( 34.904 -0.527 7.058) 35.614 3.629 ( 4.744 17.552 -1.267) 18.226 4.246 ( 29.785 4.639 1.399) 30.176 5.673 ( -6.108 -2.170 -3.611) 7.420 6.909 ( 0.693 -1.686 -2.685) 3.245 7.389 ( 1.074 1.037 -11.243) 11.341 7.528 ( -1.354 -2.675 -2.006) 3.607 7.813 ( -0.630 5.366 -3.322) 6.342 9.420 ( -5.087 -0.983 7.779) 9.346 9.656 ( -2.256 -1.981 3.764) 4.814 11.352 ( 6.207 -11.107 2.290) 12.928 12.667 ( -5.193 28.770 -5.978) 29.840 12.923 ( -1.184 -5.445 -0.248) 5.578 13.327 ( 9.529 6.858 4.808) 12.686 13.639 ( 24.796 -6.423 -4.264) 25.967 16.281 ( -21.910 -12.676 2.534) 25.440 ======================= Grid point 354 (66/140) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 16.923 16.561 6.646) 24.594 2.072 ( 11.660 13.782 9.171) 20.248 3.401 ( 23.370 -1.311 -1.137) 23.434 3.721 ( 4.721 16.872 -0.783) 17.538 4.853 ( 27.603 -0.371 0.754) 27.616 5.561 ( -3.782 -0.251 -1.168) 3.966 6.926 ( 0.875 -0.487 -4.292) 4.407 7.330 ( -3.500 -7.175 -2.566) 8.385 7.569 ( 2.576 3.675 -6.881) 8.215 7.774 ( -3.019 8.311 -2.921) 9.313 9.364 ( -0.939 -0.156 7.159) 7.222 9.632 ( -0.374 -2.217 3.762) 4.382 11.524 ( 9.850 -13.385 2.623) 16.825 12.552 ( -4.305 24.647 -2.248) 25.121 12.893 ( -2.013 -8.199 0.897) 8.490 13.472 ( 3.636 9.693 8.759) 13.561 14.118 ( 20.768 -10.041 -3.256) 23.296 15.804 ( -22.550 -12.049 4.857) 26.025 ======================= Grid point 355 (67/140) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 15.365 23.862 4.847) 28.792 2.409 ( 19.849 0.488 -2.325) 19.991 3.611 ( -0.533 9.762 -2.660) 10.132 3.854 ( 4.718 5.003 -7.262) 10.002 5.350 ( 19.841 -4.089 0.442) 20.263 5.554 ( 3.478 0.554 2.905) 4.566 6.950 ( 1.647 1.105 -4.626) 5.033 7.284 ( -1.024 -6.248 0.156) 6.334 7.591 ( -1.103 3.984 -5.493) 6.874 7.711 ( -2.088 8.006 -3.480) 8.976 9.364 ( 0.808 -1.503 6.261) 6.489 9.628 ( -0.280 -2.546 6.590) 7.070 11.739 ( 10.594 -13.468 2.892) 17.378 12.519 ( 1.378 20.151 -1.066) 20.226 12.827 ( -4.733 -10.629 2.132) 11.829 13.443 ( -6.647 10.542 8.282) 14.963 14.494 ( 15.706 -10.772 0.312) 19.047 15.413 ( -14.287 -10.873 8.684) 19.944 ======================= Grid point 356 (68/140) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 16.938 18.875 2.158) 25.452 2.831 ( 20.026 0.392 -8.292) 21.679 3.505 ( -8.696 12.573 -2.073) 15.428 3.816 ( -7.647 2.448 -12.549) 14.898 5.663 ( 10.378 -5.757 1.537) 11.967 5.675 ( 6.974 -0.288 3.635) 7.869 7.001 ( 3.348 1.824 -3.503) 5.178 7.265 ( -1.796 -4.818 1.914) 5.486 7.546 ( -1.304 6.204 -5.424) 8.343 7.689 ( -1.014 4.240 -3.925) 5.866 9.398 ( 2.523 -2.352 7.299) 8.073 9.608 ( -1.894 -2.582 8.801) 9.365 11.957 ( 10.617 -12.336 2.900) 16.532 12.606 ( 6.480 14.961 -0.071) 16.304 12.683 ( -9.214 -12.082 3.062) 15.500 13.232 ( -12.209 10.708 5.025) 16.999 14.773 ( 11.354 -10.513 4.712) 16.176 15.209 ( -6.405 -9.534 11.821) 16.482 ======================= Grid point 357 (69/140) ======================= q-point: ( 0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 16.761 14.648 0.112) 22.260 3.173 ( 3.317 4.545 -5.386) 7.788 3.316 ( 0.294 10.166 -7.598) 12.695 3.583 ( -13.985 2.541 -13.355) 19.504 5.787 ( 3.424 -2.362 3.390) 5.366 5.798 ( 2.663 -4.635 1.702) 5.610 7.086 ( 4.761 0.801 -1.661) 5.106 7.190 ( -4.964 -1.777 0.734) 5.323 7.573 ( 3.326 4.392 -4.826) 7.324 7.647 ( -3.117 3.216 -3.953) 5.973 9.466 ( 3.935 -2.514 8.958) 10.102 9.549 ( -3.692 -2.510 9.634) 10.618 12.188 ( 11.873 -11.555 2.934) 16.826 12.446 ( -12.652 -12.178 3.263) 17.862 12.778 ( 9.390 11.567 1.039) 14.935 12.988 ( -10.952 10.424 2.484) 15.323 14.969 ( 7.695 -9.768 8.939) 15.315 15.099 ( -5.218 -9.215 11.731) 15.803 ======================= Grid point 366 (70/140) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 11.163 11.163 10.469) 18.943 2.473 ( 18.967 18.967 14.914) 30.691 2.883 ( 18.261 18.261 -1.241) 25.854 3.982 ( 12.876 12.876 -2.272) 18.351 4.437 ( 15.278 15.278 2.306) 21.729 5.614 ( -3.346 -3.346 -3.208) 5.718 6.897 ( 0.598 0.598 -0.390) 0.931 7.290 ( -6.023 -6.023 -1.314) 8.618 7.597 ( 4.566 4.566 -9.846) 11.775 7.900 ( 2.949 2.949 -4.744) 6.317 9.389 ( -1.933 -1.933 7.388) 7.877 9.608 ( -2.283 -2.283 2.432) 4.042 11.247 ( 0.751 0.751 3.421) 3.582 12.820 ( -4.571 -4.571 -0.312) 6.472 13.208 ( 12.439 12.439 -6.549) 18.771 13.308 ( 1.200 1.200 -0.012) 1.698 13.667 ( 9.182 9.182 5.652) 14.162 15.920 ( -21.137 -21.137 3.661) 30.115 ======================= Grid point 367 (71/140) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 17.445 7.805 3.311) 19.396 2.664 ( 6.027 31.802 9.611) 33.765 3.408 ( 24.232 2.540 -4.357) 24.751 4.127 ( 2.450 20.823 -1.832) 21.047 4.838 ( 20.825 -1.095 0.662) 20.864 5.554 ( -1.743 -0.407 -1.217) 2.164 6.926 ( 1.987 0.627 0.210) 2.094 7.204 ( -2.107 -4.239 2.000) 5.139 7.660 ( 1.451 3.945 -8.818) 9.769 7.928 ( -0.395 6.364 -5.738) 8.578 9.344 ( -2.203 -2.004 7.577) 8.141 9.572 ( -1.120 -3.243 1.686) 3.823 11.346 ( 7.882 -3.558 3.596) 9.365 12.726 ( -4.708 -7.642 0.315) 8.981 13.033 ( -10.114 19.462 -2.605) 22.087 13.619 ( 9.163 1.506 5.342) 10.713 13.908 ( 14.349 -5.935 -0.022) 15.528 15.467 ( -20.900 -19.308 6.153) 29.111 ======================= Grid point 368 (72/140) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 19.855 4.918 -2.462) 20.603 2.818 ( 9.449 29.924 6.102) 31.968 3.745 ( 7.593 3.634 -7.915) 11.555 4.112 ( -3.767 18.467 -2.673) 19.036 5.229 ( 16.282 -7.376 -0.555) 17.883 5.569 ( 3.368 0.731 2.308) 4.148 6.974 ( 2.665 1.102 0.189) 2.890 7.193 ( 0.410 -2.424 3.660) 4.409 7.664 ( -0.793 3.089 -6.923) 7.623 7.890 ( -2.870 8.493 -6.543) 11.098 9.311 ( -0.710 -3.747 7.621) 8.522 9.556 ( -0.658 -4.131 3.017) 5.158 11.540 ( 10.250 -5.729 3.365) 12.215 12.613 ( -6.593 -9.728 1.215) 11.814 12.878 ( -4.518 12.545 -1.972) 13.479 13.616 ( -8.002 4.638 6.880) 11.527 14.229 ( 15.315 -12.482 -1.533) 19.817 15.125 ( -11.312 -15.191 10.244) 21.533 ======================= Grid point 369 (73/140) ======================= q-point: ( 0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 18.373 4.647 -5.695) 19.789 3.062 ( 13.936 25.040 3.248) 28.841 3.748 ( -5.888 7.582 -8.306) 12.694 3.973 ( -9.559 14.878 -5.087) 18.401 5.503 ( 10.341 -9.139 -0.084) 13.801 5.664 ( 4.631 -0.959 3.976) 6.179 7.034 ( 3.016 1.014 0.167) 3.186 7.194 ( -0.761 -2.010 3.396) 4.019 7.647 ( -0.174 3.851 -6.129) 7.240 7.824 ( -3.406 7.943 -6.678) 10.922 9.324 ( 2.047 -4.746 7.999) 9.524 9.532 ( -1.921 -4.538 5.414) 7.321 11.757 ( 10.641 -6.943 2.886) 13.029 12.445 ( -9.717 -10.390 1.926) 14.355 12.849 ( 1.531 6.191 -1.262) 6.501 13.369 ( -13.696 0.983 3.369) 14.139 14.517 ( 12.301 -11.897 2.383) 17.278 14.974 ( -4.723 -11.266 12.352) 17.372 ======================= Grid point 370 (74/140) ======================= q-point: ( 0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 15.196 7.904 -5.296) 17.929 3.350 ( 9.891 16.399 0.082) 19.151 3.574 ( -6.807 10.917 -8.468) 15.402 3.732 ( -13.123 14.639 -5.801) 20.498 5.664 ( 5.249 -7.806 1.543) 9.532 5.718 ( 0.076 -4.471 3.256) 5.532 7.096 ( 2.980 0.050 0.363) 3.003 7.156 ( -2.658 -1.339 1.588) 3.373 7.675 ( 2.853 5.168 -5.873) 8.327 7.748 ( -3.821 6.294 -6.106) 9.565 9.389 ( 3.990 -4.819 8.265) 10.366 9.473 ( -3.709 -4.678 7.443) 9.542 11.982 ( 11.200 -8.164 2.415) 14.068 12.220 ( -11.587 -9.571 2.203) 15.190 12.933 ( 6.425 1.646 -0.231) 6.636 13.111 ( -10.694 -0.191 1.141) 10.757 14.734 ( 8.685 -10.743 6.945) 15.462 14.878 ( -5.371 -10.172 10.744) 15.740 ======================= Grid point 380 (75/140) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 13.811 13.811 0.467) 19.537 3.172 ( 14.644 14.644 12.598) 24.240 3.565 ( 13.684 13.684 -10.975) 22.248 4.498 ( 11.408 11.408 -3.813) 16.578 4.838 ( 3.761 3.761 1.180) 5.449 5.551 ( 0.430 0.430 -0.435) 0.748 6.951 ( 1.685 1.685 3.621) 4.335 7.163 ( -0.058 -0.058 4.349) 4.350 7.711 ( 1.030 1.030 -7.880) 8.014 8.027 ( 2.916 2.916 -7.843) 8.861 9.280 ( -3.859 -3.859 9.267) 10.755 9.511 ( -2.433 -2.433 -1.414) 3.720 11.361 ( 4.305 4.305 3.404) 6.975 12.576 ( -7.053 -7.053 0.171) 9.976 13.169 ( -7.847 -7.847 0.387) 11.104 13.668 ( 7.118 7.118 -0.334) 10.071 13.898 ( 1.862 1.862 0.613) 2.704 15.081 ( -15.726 -15.726 9.369) 24.133 ======================= Grid point 381 (76/140) ======================= q-point: ( 0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 17.528 10.640 -2.115) 20.614 3.370 ( 7.914 21.540 9.223) 24.732 3.833 ( 8.452 5.770 -11.046) 15.058 4.515 ( -6.240 19.069 -2.379) 20.204 5.054 ( 13.409 -9.302 -1.099) 16.357 5.582 ( 2.571 0.597 1.683) 3.131 6.993 ( 2.287 0.800 4.915) 5.480 7.177 ( 0.685 0.315 4.903) 4.961 7.713 ( -0.374 1.652 -6.563) 6.778 8.043 ( -1.255 5.903 -9.099) 10.919 9.211 ( -2.104 -5.470 9.098) 10.823 9.470 ( -1.706 -3.951 -1.280) 4.490 11.493 ( 7.797 0.799 2.680) 8.284 12.426 ( -7.658 -8.381 0.357) 11.358 12.948 ( -10.150 -6.497 -0.162) 12.052 13.574 ( -15.026 -10.143 3.664) 18.496 14.093 ( 14.369 1.365 -5.390) 15.407 14.874 ( -4.795 -7.378 12.724) 15.470 ======================= Grid point 382 (77/140) ======================= q-point: ( 0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( 18.234 8.839 -4.192) 20.693 3.550 ( 9.354 19.977 7.459) 23.285 3.878 ( -3.202 6.829 -11.385) 13.656 4.334 ( -10.536 17.329 -1.130) 20.312 5.305 ( 10.473 -9.574 -1.616) 14.282 5.631 ( 1.168 -2.336 3.116) 4.066 7.042 ( 2.365 -0.019 4.426) 5.018 7.172 ( -1.226 -0.626 3.632) 3.884 7.721 ( 1.630 3.502 -6.094) 7.215 7.985 ( -4.034 7.139 -9.249) 12.361 9.208 ( 1.772 -6.140 8.019) 10.254 9.430 ( -2.488 -5.172 1.483) 5.928 11.665 ( 8.636 -2.164 1.817) 9.087 12.252 ( -9.233 -8.289 0.570) 12.421 12.800 ( -3.747 -10.920 -0.379) 11.551 13.220 ( -16.680 -15.446 1.511) 22.783 14.380 ( 12.602 -0.265 -1.727) 12.723 14.817 ( -2.190 -3.233 11.844) 12.471 ======================= Grid point 383 (78/140) ======================= q-point: ( 0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 16.224 8.097 -5.386) 18.916 3.627 ( -8.063 9.141 -1.800) 12.321 3.861 ( 8.272 16.888 -3.089) 19.057 4.096 ( -12.142 17.364 -0.085) 21.189 5.488 ( 7.358 -8.756 -0.119) 11.438 5.606 ( -3.689 -6.285 2.156) 7.600 7.089 ( 2.258 -0.525 3.179) 3.935 7.135 ( -2.095 -0.837 2.636) 3.469 7.785 ( 4.351 5.395 -6.843) 9.740 7.887 ( -5.167 6.697 -8.258) 11.822 9.274 ( 4.177 -6.122 6.745) 10.021 9.362 ( -3.994 -5.835 4.563) 8.415 11.850 ( 9.253 -4.772 1.088) 10.468 12.050 ( -10.002 -6.930 0.722) 12.190 12.796 ( 3.314 -14.655 -0.156) 15.026 12.936 ( -10.305 -16.326 0.435) 19.311 14.604 ( 8.946 -1.200 3.109) 9.546 14.747 ( -4.976 -1.933 8.064) 9.671 ======================= Grid point 394 (79/140) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 15.044 15.044 -2.094) 21.379 3.685 ( 10.226 10.226 11.290) 18.346 3.975 ( 6.229 6.229 -12.542) 15.326 4.829 ( -2.857 -2.857 2.355) 4.677 4.891 ( 7.371 7.371 -6.061) 12.058 5.591 ( 0.043 0.043 1.602) 1.603 7.013 ( 1.264 1.264 7.648) 7.854 7.179 ( -0.463 -0.463 4.301) 4.350 7.743 ( 1.666 1.666 -5.989) 6.436 8.121 ( 1.415 1.415 -10.447) 10.637 9.113 ( -3.302 -3.302 8.177) 9.417 9.395 ( -3.387 -3.387 -2.309) 5.318 11.551 ( 4.242 4.242 1.451) 6.172 12.261 ( -7.792 -7.792 -0.287) 11.024 12.709 ( -13.388 -13.388 0.586) 18.942 13.222 ( -21.194 -21.194 1.688) 30.020 14.245 ( 10.701 10.701 -6.572) 16.500 14.812 ( -0.159 -0.159 12.361) 12.363 ======================= Grid point 395 (80/140) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 16.689 12.980 -2.609) 21.302 3.852 ( 5.542 10.149 9.570) 15.010 4.039 ( 1.023 7.331 -10.352) 12.726 4.622 ( -11.202 9.042 1.626) 14.487 5.133 ( 10.338 -6.014 -4.477) 12.771 5.566 ( -2.902 -3.943 1.266) 5.057 7.044 ( 1.682 0.426 7.725) 7.918 7.155 ( -1.649 -1.036 3.361) 3.885 7.797 ( 3.767 4.026 -6.351) 8.410 8.103 ( -2.912 3.933 -10.551) 11.631 9.091 ( 1.210 -4.539 6.354) 7.902 9.324 ( -3.630 -4.927 -0.504) 6.140 11.653 ( 5.429 0.596 0.247) 5.467 12.097 ( -8.081 -6.760 -0.767) 10.564 12.478 ( -7.887 -17.550 0.338) 19.243 12.796 ( -18.278 -23.182 0.877) 29.534 14.470 ( 10.278 7.267 -4.545) 13.383 14.813 ( -0.582 1.567 9.028) 9.182 ======================= Grid point 396 (81/140) ======================= q-point: ( 0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 14.935 11.137 -3.266) 18.915 3.809 ( -9.088 9.108 -1.758) 12.986 4.151 ( 9.799 9.736 1.327) 13.877 4.382 ( -11.792 9.354 2.685) 15.289 5.319 ( 7.968 -7.171 -3.276) 11.209 5.468 ( -6.304 -6.716 -0.791) 9.245 7.081 ( 1.853 -0.151 6.026) 6.306 7.119 ( -1.783 -0.652 4.131) 4.546 7.896 ( 5.562 5.319 -7.860) 11.000 8.013 ( -5.372 5.279 -9.546) 12.159 9.150 ( 4.052 -5.422 4.520) 8.139 9.241 ( -4.389 -5.636 2.183) 7.469 11.775 ( 6.561 -2.622 -0.601) 7.091 11.928 ( -8.067 -4.978 -0.938) 9.526 12.402 ( 0.625 -21.050 0.154) 21.060 12.506 ( -9.512 -23.081 0.358) 24.967 14.654 ( 7.353 4.745 -0.584) 8.771 14.770 ( -3.778 2.911 4.324) 6.438 ======================= Grid point 408 (82/140) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 14.662 14.662 -1.799) 20.813 4.022 ( 6.091 6.091 10.791) 13.807 4.129 ( 2.032 2.032 -9.339) 9.771 4.652 ( -5.753 -5.753 4.821) 9.456 5.106 ( 3.189 3.189 -7.706) 8.929 5.467 ( -5.695 -5.695 -1.415) 8.177 7.060 ( 1.044 1.044 9.050) 9.169 7.132 ( -1.139 -1.139 4.030) 4.340 7.892 ( 5.097 5.097 -7.355) 10.298 8.141 ( -0.244 -0.244 -10.750) 10.755 9.037 ( -0.578 -0.578 4.272) 4.349 9.227 ( -4.544 -4.544 -0.362) 6.436 11.679 ( 1.843 1.843 -1.147) 2.848 11.968 ( -5.950 -5.950 -1.949) 8.637 12.159 ( -11.975 -11.975 0.122) 16.936 12.344 ( -18.995 -18.995 0.549) 26.868 14.628 ( 7.353 7.353 -4.649) 11.391 14.843 ( 0.737 0.737 5.079) 5.184 ======================= Grid point 409 (83/140) ======================= q-point: ( 0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 677 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 12.530 12.250 -1.412) 17.580 4.003 ( -6.782 9.443 0.491) 11.636 4.252 ( 9.302 0.390 2.112) 9.546 4.465 ( -10.684 -1.104 4.414) 11.613 5.208 ( 5.844 -3.405 -6.791) 9.585 5.337 ( -6.522 -5.815 -4.446) 9.804 7.085 ( 1.237 0.412 8.208) 8.310 7.109 ( -1.108 -0.336 6.108) 6.217 8.002 ( 5.308 4.782 -8.785) 11.323 8.098 ( -3.661 2.777 -10.056) 11.056 9.062 ( 2.735 -2.880 2.534) 4.711 9.136 ( -4.132 -4.380 0.933) 6.094 11.733 ( 3.732 -1.593 -1.906) 4.483 11.842 ( -6.265 -3.367 -2.376) 7.499 12.009 ( -2.399 -15.344 -0.314) 15.534 12.060 ( -7.770 -18.531 0.036) 20.094 14.758 ( 4.985 4.676 -2.597) 7.312 14.831 ( -2.012 2.441 0.925) 3.296 ======================= Grid point 422 (84/140) ======================= q-point: ( 0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 371 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 9.961 9.961 0.367) 14.092 4.188 ( 1.964 1.964 10.346) 10.712 4.200 ( 1.561 1.561 -6.558) 6.919 4.368 ( -7.359 -7.359 3.542) 10.994 5.180 ( 0.700 0.700 -8.108) 8.168 5.232 ( -4.114 -4.114 -7.090) 9.171 7.095 ( 0.515 0.515 8.944) 8.974 7.103 ( -0.281 -0.281 8.057) 8.067 8.086 ( 3.149 3.149 -9.510) 10.501 8.124 ( -0.333 -0.333 -9.980) 9.991 9.034 ( 0.139 0.139 1.324) 1.338 9.064 ( -2.561 -2.561 0.765) 3.701 11.707 ( -0.497 -0.497 -1.199) 1.390 11.774 ( -7.473 -7.473 0.108) 10.569 11.795 ( -2.190 -2.190 -3.610) 4.756 11.809 ( -3.983 -3.983 -2.274) 6.074 14.834 ( 2.496 2.496 -2.889) 4.562 14.858 ( 0.118 0.118 -1.613) 1.622 ======================= Grid point 507 (85/140) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.000 0.000 14.765) 14.765 1.563 ( 0.000 0.000 14.765) 14.765 2.722 ( -0.000 -0.000 26.315) 26.315 3.246 ( 0.000 0.000 -2.718) 2.718 3.246 ( 0.000 0.000 -2.718) 2.718 5.787 ( -0.000 0.000 -5.388) 5.388 6.896 ( -0.000 -0.000 -1.298) 1.298 6.896 ( 0.000 0.000 -1.298) 1.298 7.712 ( 0.000 0.000 -2.202) 2.202 7.712 ( -0.000 -0.000 -2.202) 2.202 9.599 ( -0.000 -0.000 -1.967) 1.967 10.669 ( -0.000 0.000 -1.529) 1.529 11.406 ( 0.000 0.000 0.340) 0.340 11.406 ( 0.000 0.000 0.340) 0.340 12.961 ( -0.000 0.000 0.349) 0.349 12.974 ( -0.000 0.000 -0.781) 0.781 12.974 ( 0.000 0.000 -0.781) 0.781 16.943 ( 0.000 0.000 0.314) 0.314 ======================= Grid point 508 (86/140) ======================= q-point: ( 0.08 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 1.812 0.000 13.703) 13.822 1.886 ( 24.020 0.000 17.099) 29.485 2.587 ( -3.840 0.000 13.954) 14.473 3.285 ( 3.577 0.000 -2.417) 4.317 3.604 ( 27.344 0.000 2.167) 27.430 5.742 ( -3.974 0.000 -4.167) 5.758 6.883 ( -1.202 0.000 -1.978) 2.315 6.998 ( 8.277 0.000 -2.986) 8.799 7.669 ( -3.924 0.000 -2.972) 4.922 7.710 ( -0.279 0.000 -1.533) 1.558 9.541 ( -5.251 0.000 -3.084) 6.090 10.167 ( -25.141 0.000 6.965) 26.088 11.450 ( 4.212 0.000 0.340) 4.226 11.930 ( 25.049 0.000 -5.723) 25.694 12.984 ( 0.931 0.000 -0.569) 1.091 13.065 ( 10.005 0.000 1.107) 10.066 13.122 ( 15.440 0.000 -1.566) 15.519 16.810 ( -12.492 0.000 0.627) 12.508 ======================= Grid point 509 (87/140) ======================= q-point: ( 0.15 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 4.956 0.000 10.848) 11.926 2.159 ( 2.553 0.000 21.907) 22.056 2.864 ( 27.448 0.000 -2.654) 27.576 3.377 ( 4.824 0.000 -1.733) 5.126 4.237 ( 32.197 0.000 2.282) 32.278 5.645 ( -4.709 0.000 -1.427) 4.921 6.849 ( -1.874 0.000 -3.401) 3.883 7.166 ( 6.821 0.000 -4.719) 8.294 7.573 ( -4.422 0.000 -3.485) 5.630 7.695 ( -1.304 0.000 -0.084) 1.307 9.418 ( -5.355 0.000 -3.502) 6.398 9.858 ( -6.119 0.000 8.045) 10.108 11.580 ( 8.333 0.000 0.381) 8.342 12.186 ( 2.792 0.000 -2.180) 3.542 13.008 ( 1.245 0.000 -0.012) 1.245 13.313 ( 12.234 0.000 4.856) 13.163 13.603 ( 27.639 0.000 -4.998) 28.087 16.456 ( -20.593 0.000 1.562) 20.653 ======================= Grid point 510 (88/140) ======================= q-point: ( 0.23 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 9.602 0.000 7.121) 11.955 2.224 ( 5.647 0.000 11.251) 12.589 3.391 ( 19.666 0.000 -6.243) 20.633 3.460 ( 2.529 0.000 -1.118) 2.766 4.884 ( 29.336 0.000 1.529) 29.376 5.582 ( -0.597 0.000 2.113) 2.196 6.816 ( -1.046 0.000 -4.383) 4.506 7.259 ( 2.218 0.000 -5.135) 5.593 7.522 ( -0.132 0.000 -2.633) 2.637 7.648 ( -3.416 0.000 1.122) 3.595 9.352 ( -0.810 0.000 -3.477) 3.570 9.824 ( 1.091 0.000 7.660) 7.738 11.790 ( 11.804 0.000 0.537) 11.816 12.180 ( -1.471 0.000 0.206) 1.485 13.028 ( 0.461 0.000 0.691) 0.831 13.503 ( 4.473 0.000 7.052) 8.350 14.159 ( 25.038 0.000 -3.167) 25.237 16.018 ( -20.071 0.000 3.360) 20.351 ======================= Grid point 511 (89/140) ======================= q-point: ( 0.31 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 14.309 0.000 3.658) 14.769 2.407 ( 11.765 0.000 1.546) 11.866 3.460 ( -2.870 0.000 -0.883) 3.003 3.619 ( 2.582 0.000 -9.162) 9.519 5.412 ( 20.961 0.000 0.908) 20.981 5.636 ( 5.512 0.000 4.302) 6.992 6.820 ( 1.701 0.000 -4.235) 4.564 7.286 ( 1.401 0.000 -3.830) 4.078 7.550 ( -6.081 0.000 1.529) 6.271 7.554 ( 2.424 0.000 -2.463) 3.456 9.383 ( 3.627 0.000 -1.846) 4.070 9.853 ( 0.947 0.000 8.025) 8.081 12.058 ( 13.759 0.000 0.835) 13.784 12.171 ( 1.224 0.000 0.943) 1.545 13.018 ( -1.608 0.000 1.313) 2.076 13.449 ( -9.893 0.000 6.416) 11.791 14.626 ( 20.070 0.000 0.410) 20.074 15.687 ( -11.296 0.000 6.159) 12.866 ======================= Grid point 512 (90/140) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 17.275 0.000 1.158) 17.314 2.690 ( 14.998 0.000 -4.777) 15.740 3.333 ( -9.409 0.000 -0.944) 9.456 3.544 ( -8.537 0.000 -9.843) 13.030 5.731 ( 9.706 0.000 1.334) 9.797 5.776 ( 7.097 0.000 2.592) 7.556 6.893 ( 5.333 0.000 -3.066) 6.151 7.346 ( 4.560 0.000 -2.512) 5.206 7.400 ( -8.280 0.000 1.113) 8.354 7.590 ( 0.435 0.000 -2.252) 2.293 9.492 ( 6.550 0.000 1.601) 6.743 9.844 ( -1.979 0.000 8.093) 8.331 12.246 ( 6.282 0.000 1.234) 6.402 12.345 ( 13.660 0.000 1.216) 13.714 12.954 ( -4.753 0.000 1.688) 5.044 13.136 ( -18.611 0.000 4.389) 19.121 14.989 ( 15.112 0.000 3.916) 15.611 15.529 ( -5.221 0.000 8.294) 9.800 ======================= Grid point 513 (91/140) ======================= q-point: ( 0.46 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 17.501 0.000 -0.289) 17.503 3.008 ( 15.345 0.000 -7.962) 17.287 3.080 ( -14.749 0.000 -0.888) 14.775 3.309 ( -13.438 0.000 -9.324) 16.356 5.856 ( 3.430 0.000 1.543) 3.761 5.876 ( 1.822 0.000 0.740) 1.967 7.035 ( 8.137 0.000 -1.456) 8.267 7.217 ( -9.134 0.000 0.047) 9.134 7.460 ( 5.813 0.000 -1.910) 6.118 7.560 ( -3.368 0.000 -1.949) 3.891 9.638 ( 7.106 0.000 5.122) 8.760 9.769 ( -5.222 0.000 7.309) 8.983 12.437 ( 12.211 0.000 1.705) 12.330 12.610 ( 11.645 0.000 1.567) 11.749 12.748 ( -17.595 0.000 2.717) 17.804 12.818 ( -8.380 0.000 1.759) 8.562 15.252 ( 10.305 0.000 6.720) 12.302 15.420 ( -6.198 0.000 8.370) 10.415 ======================= Grid point 521 (92/140) ======================= q-point: ( 0.08 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 8.617 8.617 17.561) 21.375 1.994 ( 17.435 17.435 13.198) 27.967 2.497 ( -2.733 -2.733 7.431) 8.377 3.452 ( 9.217 9.217 -2.731) 13.318 3.769 ( 18.218 18.218 3.575) 26.012 5.706 ( -3.236 -3.236 -3.294) 5.639 6.875 ( -0.578 -0.578 -1.158) 1.417 7.078 ( 6.442 6.442 -5.285) 10.533 7.598 ( -4.945 -4.945 -1.640) 7.183 7.740 ( 1.303 1.303 -2.465) 3.078 9.487 ( -4.639 -4.639 -3.690) 7.527 10.009 ( -11.016 -11.016 8.286) 17.645 11.337 ( -2.173 -2.173 1.221) 3.306 12.341 ( 23.308 23.308 -7.286) 33.758 12.938 ( -1.795 -1.795 -0.581) 2.604 13.124 ( 6.097 6.097 0.016) 8.623 13.257 ( 11.956 11.956 0.938) 16.934 16.678 ( -12.370 -12.370 0.919) 17.519 ======================= Grid point 522 (93/140) ======================= q-point: ( 0.15 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.965 14.808 14.882) 21.573 2.212 ( 0.679 12.204 12.935) 17.797 2.810 ( 29.132 -3.307 -1.745) 29.371 3.591 ( 5.279 16.778 -2.287) 17.737 4.289 ( 28.695 5.402 2.475) 29.304 5.626 ( -3.903 -1.751 -1.117) 4.421 6.862 ( -0.670 1.168 -1.766) 2.221 7.205 ( 4.779 2.917 -6.028) 8.227 7.505 ( -3.125 -3.926 -0.938) 5.105 7.752 ( -0.281 3.448 -2.363) 4.190 9.385 ( -4.297 -2.817 -4.350) 6.732 9.843 ( -4.266 -1.362 8.419) 9.536 11.394 ( 6.517 -9.461 1.612) 11.601 12.566 ( 0.166 27.248 -3.492) 27.471 12.919 ( -0.344 -5.788 -0.155) 5.801 13.414 ( 17.098 1.285 3.537) 17.507 13.574 ( 19.732 2.864 -2.259) 20.067 16.328 ( -20.372 -12.029 1.826) 23.729 ======================= Grid point 523 (94/140) ======================= q-point: ( 0.23 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 10.064 16.049 8.524) 20.772 2.247 ( 4.144 9.383 6.468) 12.126 3.348 ( 19.449 -1.366 -3.242) 19.765 3.677 ( 2.792 16.645 -2.991) 17.140 4.874 ( 26.640 -0.928 1.093) 26.679 5.576 ( -0.132 -0.512 1.923) 1.995 6.853 ( 0.059 3.348 -2.614) 4.249 7.261 ( 1.058 -0.210 -3.161) 3.340 7.488 ( 1.119 -0.863 -2.013) 2.460 7.721 ( -2.753 4.936 -1.969) 5.985 9.333 ( -0.537 -1.737 -4.231) 4.605 9.810 ( 0.169 -1.461 8.185) 8.316 11.572 ( 10.155 -11.862 1.859) 15.726 12.514 ( -2.817 22.839 -1.320) 23.050 12.909 ( -0.960 -8.685 0.598) 8.758 13.645 ( 4.794 10.071 7.528) 13.457 14.048 ( 23.429 -9.713 -3.474) 25.599 15.896 ( -19.637 -11.355 3.644) 22.974 ======================= Grid point 524 (95/140) ======================= q-point: ( 0.31 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 13.381 21.267 3.170) 25.325 2.404 ( 11.260 2.313 1.006) 11.539 3.558 ( 1.351 4.704 -2.360) 5.433 3.695 ( -1.546 10.903 -6.757) 12.920 5.356 ( 19.407 -5.200 0.202) 20.093 5.635 ( 5.450 -0.097 3.995) 6.758 6.874 ( 2.154 4.804 -2.609) 5.876 7.280 ( 1.344 -0.373 -0.310) 1.428 7.511 ( -0.314 -0.245 -2.582) 2.613 7.649 ( -3.297 5.304 -2.320) 6.662 9.365 ( 3.498 -1.705 -2.105) 4.424 9.820 ( 0.190 -3.283 8.070) 8.714 11.792 ( 10.716 -12.443 2.051) 16.549 12.501 ( 2.099 18.367 -0.648) 18.498 12.864 ( -3.755 -11.127 1.381) 11.825 13.596 ( -9.273 9.975 5.981) 14.875 14.497 ( 19.719 -11.771 -0.035) 22.965 15.577 ( -10.682 -10.084 6.463) 16.049 ======================= Grid point 525 (96/140) ======================= q-point: ( 0.38 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 14.845 19.599 1.455) 24.629 2.696 ( 15.884 1.534 -4.564) 16.598 3.471 ( -8.533 10.093 -1.210) 13.272 3.585 ( -8.980 6.091 -8.916) 14.044 5.669 ( 10.958 -6.292 0.037) 12.636 5.762 ( 5.767 -0.672 3.460) 6.759 6.944 ( 4.545 4.498 -1.978) 6.693 7.309 ( -0.328 -1.991 2.445) 3.170 7.452 ( -2.661 3.415 -3.939) 5.853 7.616 ( -0.844 2.540 -2.865) 3.921 9.469 ( 6.241 -2.204 1.526) 6.793 9.803 ( -2.049 -4.045 7.749) 8.979 12.010 ( 10.509 -11.790 2.011) 15.921 12.605 ( 7.620 13.674 -0.004) 15.654 12.737 ( -8.827 -13.098 1.990) 15.920 13.322 ( -15.069 9.755 3.444) 18.278 14.861 ( 15.389 -11.754 3.426) 19.665 15.427 ( -5.172 -9.244 8.385) 13.510 ======================= Grid point 526 (97/140) ======================= q-point: ( 0.46 0.08 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( 15.465 14.881 0.269) 21.463 3.024 ( 14.742 3.899 -6.852) 16.718 3.240 ( -12.557 12.225 -1.368) 17.579 3.347 ( -13.405 5.096 -8.829) 16.841 5.821 ( 3.983 -4.423 0.662) 5.989 5.843 ( 1.637 -2.239 1.867) 3.343 7.059 ( 6.556 2.237 -0.873) 6.982 7.208 ( -7.347 -0.658 0.880) 7.428 7.491 ( 4.440 2.772 -3.006) 6.035 7.577 ( -3.205 1.652 -2.644) 4.471 9.607 ( 6.715 -2.939 4.908) 8.821 9.730 ( -4.896 -3.703 6.911) 9.244 12.241 ( 12.026 -11.550 1.972) 16.791 12.504 ( -12.878 -12.827 2.160) 18.304 12.797 ( 10.474 10.259 0.770) 14.681 13.033 ( -12.506 9.525 1.733) 15.816 15.133 ( 10.882 -10.834 6.296) 16.596 15.313 ( -6.686 -9.720 8.158) 14.343 ======================= Grid point 535 (98/140) ======================= q-point: ( 0.15 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 4.015 4.015 14.847) 15.896 2.760 ( 17.966 17.966 11.788) 28.009 2.771 ( 13.273 13.273 -9.215) 20.910 3.920 ( 12.353 12.353 -3.380) 17.793 4.488 ( 14.376 14.376 2.284) 20.459 5.582 ( -2.079 -2.079 -0.178) 2.946 6.896 ( 2.004 2.004 0.201) 2.841 7.242 ( 0.423 0.423 -2.770) 2.834 7.473 ( 1.010 1.010 -2.910) 3.241 7.808 ( 1.755 1.755 -3.759) 4.505 9.323 ( -2.699 -2.699 -5.637) 6.808 9.804 ( -2.305 -2.305 8.999) 9.571 11.309 ( 1.204 1.204 2.398) 2.941 12.814 ( -4.287 -4.287 -0.195) 6.066 13.091 ( 14.255 14.255 -4.185) 20.590 13.307 ( 1.319 1.319 -0.030) 1.866 13.773 ( 10.840 10.840 4.078) 15.864 15.989 ( -19.560 -19.560 2.728) 27.795 ======================= Grid point 536 (99/140) ======================= q-point: ( 0.23 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 9.994 4.142 6.895) 12.829 2.791 ( 3.282 31.582 1.253) 31.777 3.341 ( 21.670 0.758 -0.704) 21.694 4.068 ( 2.481 19.455 -3.506) 19.923 4.849 ( 18.779 -1.275 0.405) 18.826 5.564 ( 0.898 -0.526 1.523) 1.845 6.941 ( 2.342 4.769 1.029) 5.412 7.251 ( 0.953 -0.164 2.501) 2.682 7.511 ( 1.879 2.435 -5.657) 6.439 7.815 ( -1.303 3.759 -4.733) 6.183 9.290 ( -0.210 -2.080 -5.205) 5.609 9.755 ( -2.274 -4.010 8.829) 9.960 11.412 ( 7.825 -3.320 2.528) 8.869 12.732 ( -3.980 -7.982 0.227) 8.922 12.984 ( -9.315 20.790 -1.940) 22.864 13.689 ( 19.575 -10.602 1.808) 22.335 13.933 ( 4.601 3.606 1.781) 6.111 15.585 ( -17.643 -17.322 4.727) 25.173 ======================= Grid point 537 (100/140) ======================= q-point: ( 0.31 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 14.637 4.627 0.241) 15.353 2.907 ( 7.985 30.212 1.966) 31.311 3.620 ( 5.411 2.995 -3.478) 7.096 4.043 ( -4.582 19.688 -3.477) 20.511 5.212 ( 15.717 -8.292 -0.893) 17.793 5.631 ( 5.273 -0.297 3.080) 6.113 6.994 ( 2.784 6.191 1.413) 6.933 7.279 ( 1.325 0.400 4.743) 4.941 7.532 ( -0.075 1.908 -5.980) 6.278 7.759 ( -3.567 5.087 -5.599) 8.363 9.318 ( 2.862 -2.641 -2.345) 4.546 9.714 ( -1.688 -6.868 7.706) 10.460 11.601 ( 9.913 -5.903 2.368) 11.778 12.634 ( -5.843 -10.551 0.823) 12.089 12.841 ( -3.956 12.887 -1.475) 13.561 13.744 ( -11.538 2.361 5.143) 12.851 14.196 ( 18.626 -15.104 -1.615) 24.034 15.317 ( -8.138 -13.205 7.542) 17.247 ======================= Grid point 538 (101/140) ======================= q-point: ( 0.38 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 16.236 5.418 -3.475) 17.466 3.116 ( 11.923 27.407 1.541) 29.927 3.597 ( -6.540 4.876 -5.263) 9.708 3.892 ( -9.605 19.585 -2.850) 21.999 5.492 ( 11.340 -10.208 -0.776) 15.278 5.742 ( 4.235 -1.608 3.102) 5.490 7.053 ( 2.933 5.536 1.427) 6.425 7.277 ( -2.234 -1.134 4.693) 5.320 7.523 ( 0.235 3.389 -5.942) 6.845 7.690 ( -2.911 4.409 -5.669) 7.749 9.404 ( 5.163 -4.004 1.494) 6.702 9.678 ( -2.076 -7.849 6.498) 10.399 11.809 ( 10.149 -7.470 2.014) 12.762 12.479 ( -9.288 -11.519 1.297) 14.854 12.826 ( 2.383 6.034 -0.875) 6.546 13.431 ( -16.188 -0.846 2.362) 16.382 14.563 ( 16.311 -14.825 1.823) 22.116 15.199 ( -4.859 -11.062 8.565) 14.810 ======================= Grid point 539 (102/140) ======================= q-point: ( 0.46 0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 15.553 6.210 -4.792) 17.419 3.365 ( 0.837 17.748 0.280) 17.770 3.408 ( -0.120 12.062 -5.946) 13.448 3.660 ( -12.505 20.939 -1.856) 24.459 5.683 ( 7.018 -8.567 0.411) 11.082 5.773 ( -1.487 -4.822 1.954) 5.411 7.117 ( 3.362 3.073 1.423) 4.771 7.198 ( -4.430 -0.128 2.328) 5.006 7.561 ( 3.055 3.758 -4.863) 6.864 7.629 ( -3.189 3.400 -4.988) 6.827 9.518 ( 5.512 -5.594 4.322) 8.964 9.618 ( -3.910 -7.068 5.668) 9.867 12.025 ( 10.879 -8.995 1.657) 14.213 12.259 ( -11.453 -10.678 1.494) 15.730 12.931 ( 7.500 1.037 -0.058) 7.572 13.133 ( -12.120 -1.266 0.913) 12.220 14.862 ( 12.428 -13.341 4.879) 18.874 15.072 ( -7.937 -11.701 7.369) 15.944 ======================= Grid point 549 (103/140) ======================= q-point: ( 0.23 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 10.349 10.349 2.695) 14.882 3.335 ( 12.515 12.515 -10.208) 20.432 3.424 ( 13.977 13.977 10.848) 22.548 4.403 ( 10.365 10.365 -4.992) 15.485 4.853 ( 3.401 3.401 0.348) 4.822 5.568 ( 1.320 1.320 1.481) 2.383 7.037 ( 4.292 4.292 4.284) 7.430 7.267 ( 1.521 1.521 5.800) 6.186 7.557 ( 1.562 1.562 -7.268) 7.596 7.866 ( 0.921 0.921 -7.089) 7.208 9.259 ( -0.770 -0.770 -4.463) 4.594 9.650 ( -5.615 -5.615 8.176) 11.397 11.424 ( 3.822 3.822 2.390) 5.910 12.579 ( -6.990 -6.990 0.130) 9.886 13.176 ( -7.666 -7.666 0.257) 10.844 13.616 ( 11.543 11.543 -2.973) 16.593 13.945 ( -5.555 -5.555 2.477) 8.237 15.260 ( -12.120 -12.120 7.091) 18.549 ======================= Grid point 550 (104/140) ======================= q-point: ( 0.31 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 14.959 10.393 -0.503) 18.222 3.472 ( 6.733 21.922 -2.273) 23.045 3.714 ( 7.753 6.824 2.418) 10.607 4.445 ( -4.384 18.213 -4.013) 19.158 5.028 ( 11.619 -9.199 -1.210) 14.870 5.625 ( 3.874 -0.180 2.015) 4.370 7.113 ( 2.953 5.030 6.182) 8.499 7.290 ( -0.006 0.274 6.175) 6.181 7.574 ( 0.426 1.974 -6.940) 7.228 7.849 ( -2.281 3.389 -8.946) 9.834 9.263 ( 1.189 -2.571 -1.345) 3.136 9.548 ( -3.800 -8.521 5.864) 11.019 11.542 ( 7.057 -0.146 1.884) 7.306 12.433 ( -7.454 -9.024 0.250) 11.707 12.943 ( -10.563 -4.682 -0.265) 11.558 13.641 ( -17.584 -12.847 2.728) 21.947 13.995 ( 17.132 -1.425 -3.899) 17.628 15.106 ( -3.981 -6.293 8.837) 11.556 ======================= Grid point 551 (105/140) ======================= q-point: ( 0.38 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( 16.540 10.267 -2.490) 19.626 3.629 ( 6.969 17.404 -4.299) 19.234 3.747 ( -2.200 12.842 3.238) 13.425 4.299 ( -8.834 18.588 -2.053) 20.683 5.267 ( 10.961 -11.174 -1.789) 15.754 5.687 ( 0.949 -3.765 2.121) 4.425 7.158 ( 1.435 4.355 6.366) 7.845 7.256 ( -2.773 -0.964 4.518) 5.389 7.593 ( 1.618 3.332 -6.089) 7.127 7.786 ( -3.506 4.541 -9.402) 11.014 9.308 ( 3.137 -5.071 2.180) 6.349 9.493 ( -1.926 -9.409 3.797) 10.327 11.699 ( 7.892 -3.424 1.282) 8.698 12.262 ( -9.086 -9.473 0.392) 13.132 12.792 ( -3.660 -9.781 -0.338) 10.449 13.249 ( -17.922 -16.469 1.154) 24.367 14.351 ( 16.468 -3.915 -0.969) 16.955 15.030 ( -4.522 -4.805 8.023) 10.388 ======================= Grid point 552 (106/140) ======================= q-point: ( 0.46 0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.254 ( 15.381 9.794 -3.690) 18.605 3.538 ( -11.498 8.451 -4.861) 15.075 3.874 ( 10.603 21.932 2.431) 24.482 4.096 ( -10.522 19.847 0.017) 22.463 5.477 ( 9.298 -11.010 -0.784) 14.432 5.638 ( -5.636 -8.292 0.965) 10.072 7.179 ( 0.883 2.757 5.135) 5.895 7.205 ( -1.846 0.839 3.948) 4.438 7.642 ( 2.996 3.946 -6.616) 8.265 7.711 ( -3.617 4.342 -8.221) 9.976 9.383 ( 3.714 -7.236 3.656) 8.918 9.450 ( -2.594 -8.741 3.542) 9.782 11.870 ( 8.750 -6.170 0.770) 10.734 12.063 ( -9.821 -8.341 0.506) 12.895 12.794 ( 3.730 -14.235 -0.077) 14.716 12.946 ( -11.018 -16.530 0.402) 19.870 14.662 ( 13.318 -4.907 2.283) 14.376 14.893 ( -8.899 -4.963 5.540) 11.598 ======================= Grid point 563 (107/140) ======================= q-point: ( 0.31 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 14.600 14.600 -1.078) 20.675 3.749 ( 7.332 7.332 -8.632) 13.492 3.920 ( 10.073 10.073 10.609) 17.762 4.749 ( 6.264 6.264 -7.127) 11.370 4.866 ( -1.538 -1.538 1.292) 2.530 5.624 ( -0.323 -0.323 1.287) 1.366 7.195 ( 2.921 2.921 9.543) 10.398 7.276 ( -1.717 -1.717 4.984) 5.544 7.614 ( 1.945 1.945 -6.305) 6.879 7.889 ( 0.317 0.317 -11.381) 11.390 9.216 ( -1.791 -1.791 1.745) 3.075 9.396 ( -5.538 -5.538 2.129) 8.117 11.577 ( 3.096 3.096 1.017) 4.495 12.255 ( -8.294 -8.294 -0.199) 11.731 12.719 ( -13.423 -13.423 0.399) 18.987 13.253 ( -22.164 -22.164 1.220) 31.369 14.126 ( 11.366 11.366 -4.508) 16.694 15.034 ( -2.064 -2.064 8.344) 8.840 ======================= Grid point 564 (108/140) ======================= q-point: ( 0.38 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 15.912 13.830 -1.717) 21.152 3.836 ( 0.063 7.669 -6.953) 10.352 4.075 ( 6.681 12.972 9.517) 17.420 4.629 ( -8.874 12.721 -1.247) 15.560 5.045 ( 10.052 -9.896 -3.478) 14.528 5.582 ( -4.434 -6.520 0.250) 7.889 7.227 ( -0.442 1.577 7.869) 8.038 7.242 ( -0.205 0.588 6.739) 6.768 7.660 ( 2.612 3.196 -6.544) 7.737 7.865 ( -2.406 2.810 -12.004) 12.561 9.200 ( 0.463 -5.095 3.888) 6.426 9.320 ( -2.353 -6.784 0.005) 7.181 11.657 ( 4.492 -0.830 0.170) 4.571 12.083 ( -8.404 -7.910 -0.539) 11.554 12.484 ( -8.150 -17.406 0.223) 19.221 12.813 ( -18.833 -23.524 0.662) 30.141 14.388 ( 13.061 5.965 -3.060) 14.681 14.976 ( -4.182 -1.488 6.157) 7.590 ======================= Grid point 565 (109/140) ======================= q-point: ( 0.46 0.31 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 14.094 12.544 -2.586) 19.044 3.734 ( -9.171 10.259 -4.012) 14.333 4.242 ( 9.187 12.872 5.739) 16.823 4.438 ( -9.498 12.420 2.246) 15.796 5.243 ( 9.470 -11.095 -3.571) 15.017 5.438 ( -8.901 -10.690 -1.855) 14.034 7.223 ( 0.578 1.728 6.490) 6.741 7.239 ( -0.615 2.308 8.196) 8.537 7.723 ( 3.500 3.938 -8.429) 9.940 7.800 ( -3.670 3.975 -10.722) 12.009 9.231 ( 2.183 -7.049 3.099) 8.004 9.277 ( -2.090 -7.502 1.150) 7.872 11.764 ( 6.028 -4.118 -0.419) 7.312 11.911 ( -8.008 -6.440 -0.654) 10.297 12.405 ( 0.628 -21.082 0.111) 21.092 12.512 ( -9.878 -23.238 0.275) 25.252 14.645 ( 11.401 2.155 -0.299) 11.607 14.849 ( -8.103 -0.299 3.039) 8.659 ======================= Grid point 577 (110/140) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 14.728 14.728 -1.559) 20.887 3.963 ( 3.545 3.545 -6.237) 8.002 4.259 ( 6.218 6.218 11.526) 14.497 4.759 ( -4.007 -4.007 5.091) 7.618 4.925 ( 2.461 2.461 -9.448) 10.069 5.417 ( -9.251 -9.251 -3.056) 13.435 7.236 ( 0.812 0.812 5.853) 5.964 7.276 ( 1.195 1.195 11.655) 11.777 7.728 ( 3.483 3.483 -8.018) 9.411 7.895 ( -0.015 -0.015 -12.800) 12.800 9.120 ( -2.216 -2.216 3.634) 4.799 9.213 ( -3.865 -3.865 -1.048) 5.565 11.658 ( 0.829 0.829 -0.853) 1.449 11.932 ( -6.829 -6.829 -1.378) 9.755 12.162 ( -12.345 -12.345 0.108) 17.458 12.354 ( -19.293 -19.293 0.409) 27.288 14.544 ( 8.296 8.296 -3.189) 12.158 14.935 ( -2.882 -2.882 3.535) 5.396 ======================= Grid point 578 (111/140) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 676 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 12.023 12.942 -2.145) 17.795 3.944 ( -5.473 9.374 -3.908) 11.536 4.399 ( 8.078 2.948 9.748) 12.999 4.587 ( -9.626 1.662 6.530) 11.750 5.047 ( 7.244 -6.979 -8.219) 12.990 5.219 ( -9.324 -9.819 -6.585) 15.057 7.262 ( 1.439 1.985 8.549) 8.894 7.284 ( -0.431 1.804 10.808) 10.966 7.803 ( 3.582 3.652 -10.121) 11.340 7.868 ( -2.435 2.409 -11.970) 12.450 9.110 ( 0.987 -4.302 1.973) 4.835 9.148 ( -2.531 -4.893 0.170) 5.511 11.697 ( 3.243 -2.378 -1.459) 4.278 11.797 ( -6.114 -4.470 -1.740) 7.771 12.005 ( -2.537 -16.047 -0.123) 16.246 12.062 ( -8.349 -18.858 0.088) 20.624 14.711 ( 7.565 3.654 -1.750) 8.582 14.848 ( -5.507 -0.229 0.704) 5.557 ======================= Grid point 591 (112/140) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( 9.140 9.140 -2.840) 13.234 4.079 ( 2.064 2.064 -4.693) 5.527 4.426 ( 1.887 1.887 12.400) 12.684 4.523 ( -6.149 -6.149 10.343) 13.513 4.982 ( 0.595 0.595 -10.925) 10.958 5.053 ( -5.925 -5.925 -10.124) 13.142 7.298 ( 1.243 1.243 10.544) 10.690 7.308 ( 0.375 0.375 11.426) 11.438 7.868 ( 2.380 2.380 -11.390) 11.877 7.893 ( -0.006 -0.006 -12.082) 12.082 9.058 ( -0.730 -0.730 0.942) 1.398 9.075 ( -2.218 -2.218 0.285) 3.149 11.673 ( 0.513 0.513 -1.723) 1.870 11.728 ( -2.653 -2.653 -2.570) 4.547 11.776 ( -7.577 -7.577 0.072) 10.716 11.778 ( -5.626 -5.626 -0.753) 7.991 14.782 ( 2.961 2.961 -1.973) 4.629 14.830 ( -1.630 -1.630 -1.073) 2.542 ======================= Grid point 676 (113/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 0.000 0.000) 0.000 1.721 ( -0.000 -0.000 0.000) 0.000 3.005 ( 0.000 0.000 -0.000) 0.000 3.213 ( -0.000 0.000 0.000) 0.000 3.213 ( -0.000 0.000 0.000) 0.000 5.722 ( -0.000 -0.000 0.000) 0.000 6.882 ( -0.000 -0.000 0.000) 0.000 6.882 ( -0.000 -0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.688 ( -0.000 -0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 10.652 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 11.410 ( 0.000 0.000 0.000) 0.000 12.965 ( -0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 12.965 ( 0.000 0.000 0.000) 0.000 16.946 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 678 (114/140) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.748 0.000 0.000) 0.748 2.076 ( 29.875 0.000 0.000) 29.875 2.714 ( -14.856 0.000 0.000) 14.856 3.256 ( 3.922 0.000 0.000) 3.922 3.641 ( 27.838 0.000 0.000) 27.838 5.693 ( -2.565 0.000 0.000) 2.565 6.862 ( -1.855 0.000 0.000) 1.855 6.969 ( 7.262 0.000 0.000) 7.262 7.636 ( -4.611 0.000 0.000) 4.611 7.693 ( 0.366 0.000 0.000) 0.366 9.508 ( -6.045 0.000 0.000) 6.045 10.236 ( -22.394 0.000 0.000) 22.394 11.453 ( 4.216 0.000 0.000) 4.216 11.874 ( 24.895 0.000 0.000) 24.895 12.978 ( 1.144 0.000 0.000) 1.144 13.086 ( 13.472 0.000 0.000) 13.472 13.097 ( 11.624 0.000 0.000) 11.624 16.817 ( -12.172 0.000 0.000) 12.172 ======================= Grid point 680 (115/140) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.174 0.000 0.000) 3.174 2.466 ( -8.757 0.000 -0.000) 8.757 2.757 ( 32.244 0.000 0.000) 32.244 3.357 ( 5.259 0.000 0.000) 5.259 4.266 ( 31.574 0.000 0.000) 31.574 5.632 ( -2.709 0.000 0.000) 2.709 6.813 ( -2.576 0.000 0.000) 2.576 7.121 ( 6.214 0.000 0.000) 6.214 7.534 ( -4.189 0.000 0.000) 4.189 7.694 ( -0.556 0.000 0.000) 0.556 9.377 ( -5.521 0.000 0.000) 5.521 9.941 ( -6.474 0.000 0.000) 6.474 11.584 ( 8.379 0.000 0.000) 8.379 12.165 ( 4.658 0.000 0.000) 4.658 13.008 ( 1.592 0.000 0.000) 1.592 13.377 ( 13.569 0.000 0.000) 13.569 13.540 ( 27.754 0.000 0.000) 27.754 16.473 ( -19.913 0.000 0.000) 19.913 ======================= Grid point 682 (116/140) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 7.664 0.000 0.000) 7.664 2.365 ( -0.796 0.000 0.000) 0.796 3.302 ( 18.801 0.000 0.000) 18.801 3.447 ( 2.799 0.000 0.000) 2.799 4.903 ( 28.886 0.000 0.000) 28.886 5.610 ( 1.197 0.000 0.000) 1.197 6.769 ( -1.265 0.000 0.000) 1.265 7.207 ( 2.402 0.000 0.000) 2.402 7.492 ( 0.282 0.000 0.000) 0.282 7.659 ( -2.998 0.000 0.000) 2.998 9.310 ( -0.489 0.000 0.000) 0.489 9.904 ( 1.157 0.000 0.000) 1.157 11.796 ( 11.924 0.000 0.000) 11.924 12.183 ( -0.826 0.000 0.000) 0.826 13.035 ( 0.823 0.000 0.000) 0.823 13.583 ( 4.599 0.000 0.000) 4.599 14.121 ( 26.932 0.000 0.000) 26.932 16.054 ( -18.815 0.000 0.000) 18.815 ======================= Grid point 684 (117/140) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 12.730 0.000 0.000) 12.730 2.434 ( 7.162 0.000 0.000) 7.162 3.451 ( -2.839 0.000 0.000) 2.839 3.513 ( 2.160 0.000 0.000) 2.160 5.423 ( 20.700 0.000 0.000) 20.700 5.685 ( 5.520 0.000 0.000) 5.520 6.775 ( 2.088 0.000 0.000) 2.088 7.247 ( 2.205 0.000 0.000) 2.205 7.528 ( 2.458 0.000 0.000) 2.458 7.565 ( -6.095 0.000 0.000) 6.095 9.360 ( 5.144 0.000 0.000) 5.144 9.936 ( 1.120 0.000 0.000) 1.120 12.067 ( 13.943 0.000 0.000) 13.943 12.182 ( 1.400 0.000 0.000) 1.400 13.032 ( -1.339 0.000 0.000) 1.339 13.518 ( -10.918 0.000 0.000) 10.918 14.630 ( 22.072 0.000 0.000) 22.072 15.753 ( -9.810 0.000 0.000) 9.810 ======================= Grid point 686 (118/140) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 16.257 0.000 0.000) 16.257 2.642 ( 12.452 0.000 0.000) 12.452 3.323 ( -9.451 0.000 0.000) 9.451 3.437 ( -8.276 0.000 0.000) 8.276 5.745 ( 10.465 0.000 0.000) 10.465 5.804 ( 5.164 0.000 0.000) 5.164 6.860 ( 6.097 0.000 0.000) 6.097 7.321 ( 5.069 0.000 0.000) 5.069 7.411 ( -8.663 0.000 0.000) 8.663 7.565 ( 0.615 0.000 0.000) 0.615 9.508 ( 8.584 0.000 0.000) 8.584 9.929 ( -2.071 0.000 0.000) 2.071 12.260 ( 6.425 0.000 0.000) 6.425 12.358 ( 13.860 0.000 0.000) 13.860 12.972 ( -4.637 0.000 0.000) 4.637 13.182 ( -19.641 0.000 0.000) 19.641 15.032 ( 16.787 0.000 0.000) 16.787 15.618 ( -4.656 0.000 0.000) 4.656 ======================= Grid point 688 (119/140) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 16.991 0.000 0.000) 16.991 2.924 ( 14.233 0.000 0.000) 14.233 3.070 ( -14.611 0.000 0.000) 14.611 3.210 ( -12.940 0.000 0.000) 12.940 5.875 ( 2.762 0.000 0.000) 2.762 5.880 ( 1.949 0.000 -0.000) 1.949 7.019 ( 8.958 0.000 0.000) 8.958 7.217 ( -9.795 0.000 0.000) 9.795 7.441 ( 5.878 0.000 0.000) 5.878 7.539 ( -3.199 0.000 0.000) 3.199 9.692 ( 8.651 0.000 0.000) 8.651 9.846 ( -5.910 0.000 0.000) 5.910 12.455 ( 12.564 0.000 0.000) 12.564 12.626 ( 11.796 0.000 0.000) 11.796 12.777 ( -18.284 0.000 0.000) 18.284 12.837 ( -8.418 0.000 0.000) 8.418 15.324 ( 11.487 0.000 0.000) 11.487 15.510 ( -6.663 0.000 0.000) 6.663 ======================= Grid point 704 (120/140) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 12.421 12.421 0.000) 17.566 2.138 ( 17.044 17.044 0.000) 24.104 2.551 ( -10.930 -10.930 0.000) 15.458 3.418 ( 9.129 9.129 0.000) 12.910 3.818 ( 18.102 18.102 0.000) 25.600 5.669 ( -2.188 -2.188 0.000) 3.094 6.863 ( -0.448 -0.448 0.000) 0.634 7.025 ( 5.216 5.216 0.000) 7.376 7.579 ( -4.387 -4.387 0.000) 6.205 7.713 ( 1.134 1.134 0.000) 1.604 9.447 ( -5.161 -5.161 0.000) 7.299 10.092 ( -10.313 -10.313 0.000) 14.584 11.350 ( -1.813 -1.813 0.000) 2.564 12.268 ( 23.501 23.501 0.000) 33.236 12.931 ( -1.723 -1.723 0.000) 2.437 13.124 ( 6.021 6.021 0.000) 8.515 13.267 ( 12.680 12.680 0.000) 17.932 16.688 ( -12.066 -12.066 0.000) 17.063 ======================= Grid point 706 (121/140) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.514 26.648 0.000) 26.767 2.363 ( -6.367 -7.342 0.000) 9.718 2.762 ( 31.808 1.018 0.000) 31.824 3.561 ( 5.294 16.107 0.000) 16.955 4.320 ( 27.685 5.450 0.000) 28.216 5.617 ( -2.269 -1.377 0.000) 2.654 6.843 ( -1.212 2.495 0.000) 2.774 7.145 ( 5.316 2.300 0.000) 5.793 7.493 ( -3.087 -2.864 0.000) 4.211 7.727 ( -0.047 2.336 0.000) 2.336 9.335 ( -4.639 -3.531 0.000) 5.830 9.931 ( -4.388 -1.051 0.000) 4.513 11.411 ( 6.650 -8.789 0.000) 11.021 12.531 ( 2.035 26.569 0.000) 26.646 12.917 ( -0.009 -5.920 0.000) 5.920 13.456 ( 24.756 -7.578 0.000) 25.890 13.547 ( 12.915 12.964 0.000) 18.299 16.348 ( -19.696 -11.741 0.000) 22.931 ======================= Grid point 708 (122/140) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 6.324 25.506 0.000) 26.279 2.308 ( 1.297 -3.885 0.000) 4.096 3.307 ( 19.149 0.782 0.000) 19.165 3.638 ( 1.868 16.299 0.000) 16.406 4.887 ( 25.947 -1.392 0.000) 25.984 5.602 ( 1.443 -0.736 0.000) 1.620 6.826 ( -0.136 5.044 0.000) 5.046 7.227 ( 2.739 1.909 0.000) 3.338 7.467 ( 0.464 -1.615 0.000) 1.681 7.701 ( -2.633 3.137 0.000) 4.095 9.284 ( 0.016 -2.316 0.000) 2.316 9.895 ( 0.114 -1.033 0.000) 1.039 11.592 ( 10.283 -11.238 0.000) 15.233 12.501 ( -2.297 22.041 0.000) 22.160 12.915 ( -0.547 -8.869 0.000) 8.886 13.736 ( 3.746 11.575 0.000) 12.166 14.001 ( 25.893 -11.080 0.000) 28.164 15.936 ( -18.352 -11.032 0.000) 21.413 ======================= Grid point 710 (123/140) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 10.949 23.139 0.000) 25.598 2.415 ( 8.744 -0.800 0.000) 8.780 3.528 ( 2.665 1.658 0.000) 3.138 3.623 ( -3.594 15.134 0.000) 15.555 5.358 ( 19.086 -5.876 0.000) 19.970 5.681 ( 5.644 -0.439 0.000) 5.661 6.847 ( 2.348 6.438 0.000) 6.853 7.277 ( 2.653 2.828 0.000) 3.877 7.484 ( -0.311 -2.279 0.000) 2.300 7.624 ( -3.876 3.608 0.000) 5.295 9.339 ( 5.190 -1.910 0.000) 5.530 9.904 ( 0.115 -3.239 0.000) 3.241 11.814 ( 10.762 -12.029 0.000) 16.140 12.494 ( 2.358 17.607 0.000) 17.764 12.879 ( -3.382 -11.306 0.000) 11.801 13.661 ( -10.730 9.781 0.000) 14.519 14.496 ( 21.746 -12.304 0.000) 24.985 15.647 ( -9.243 -9.746 0.000) 13.433 ======================= Grid point 712 (124/140) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 14.447 20.176 0.000) 24.815 2.649 ( 13.345 1.317 0.000) 13.410 3.461 ( -7.995 2.406 0.000) 8.349 3.487 ( -9.481 14.576 0.000) 17.389 5.669 ( 11.078 -6.880 0.000) 13.041 5.799 ( 4.930 -0.529 0.000) 4.958 6.923 ( 4.971 5.678 0.000) 7.547 7.352 ( 4.674 2.841 0.000) 5.470 7.394 ( -7.611 -1.397 0.000) 7.738 7.585 ( -0.758 1.678 0.000) 1.841 9.484 ( 8.264 -2.284 0.000) 8.574 9.884 ( -2.270 -4.371 0.000) 4.926 12.032 ( 10.440 -11.568 0.000) 15.583 12.605 ( 8.037 13.070 0.000) 15.343 12.758 ( -8.625 -13.382 0.000) 15.921 13.359 ( -16.235 9.354 0.000) 18.737 14.898 ( 17.064 -12.276 0.000) 21.021 15.517 ( -4.768 -9.160 0.000) 10.326 ======================= Grid point 714 (125/140) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 15.316 17.266 0.000) 23.080 2.942 ( 14.312 2.499 0.000) 14.529 3.238 ( -12.685 2.771 0.000) 12.984 3.243 ( -13.561 15.237 0.000) 20.397 5.827 ( 4.435 -4.635 0.000) 6.415 5.862 ( 0.848 -1.859 0.000) 2.043 7.051 ( 7.273 2.963 0.000) 7.853 7.219 ( -8.723 0.216 0.000) 8.725 7.459 ( 5.189 1.654 0.000) 5.447 7.548 ( -3.118 0.836 0.000) 3.228 9.659 ( 8.157 -3.168 0.000) 8.751 9.804 ( -5.549 -4.102 0.000) 6.901 12.262 ( 12.074 -11.536 0.000) 16.699 12.527 ( -12.961 -13.067 0.000) 18.405 12.806 ( 10.913 9.754 0.000) 14.637 13.052 ( -13.127 9.186 0.000) 16.022 15.200 ( 12.136 -11.288 0.000) 16.575 15.400 ( -7.290 -9.957 0.000) 12.340 ======================= Grid point 732 (126/140) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -2.797 -2.797 -0.000) 3.955 2.612 ( 15.442 15.442 0.000) 21.838 2.893 ( 17.764 17.764 0.000) 25.122 3.877 ( 11.977 11.977 0.000) 16.938 4.514 ( 13.634 13.634 0.000) 19.282 5.585 ( -1.332 -1.332 0.000) 1.884 6.899 ( 2.722 2.722 0.000) 3.849 7.210 ( 3.680 3.680 0.000) 5.205 7.448 ( -1.146 -1.146 0.000) 1.620 7.766 ( 1.149 1.149 0.000) 1.625 9.260 ( -3.053 -3.053 0.000) 4.318 9.897 ( -2.121 -2.121 0.000) 3.000 11.335 ( 1.392 1.392 0.000) 1.968 12.812 ( -4.173 -4.173 0.000) 5.901 13.048 ( 14.756 14.756 0.000) 20.869 13.307 ( 1.370 1.370 0.000) 1.938 13.817 ( 11.449 11.449 0.000) 16.191 16.019 ( -18.845 -18.845 0.000) 26.651 ======================= Grid point 734 (127/140) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 4.876 0.871 0.000) 4.953 2.769 ( 5.785 28.823 0.000) 29.398 3.354 ( 19.285 4.614 0.000) 19.829 4.022 ( 2.481 18.812 0.000) 18.975 4.854 ( 17.737 -1.532 0.000) 17.803 5.584 ( 1.843 -0.758 0.000) 1.992 6.954 ( 2.699 6.820 0.000) 7.335 7.286 ( 3.549 3.701 0.000) 5.128 7.445 ( 0.542 -0.479 0.000) 0.724 7.761 ( -1.846 2.323 0.000) 2.968 9.232 ( 0.672 -2.217 0.000) 2.317 9.847 ( -2.577 -3.877 0.000) 4.655 11.439 ( 7.805 -3.224 0.000) 8.445 12.735 ( -3.689 -8.119 0.000) 8.917 12.963 ( -8.993 21.101 0.000) 22.937 13.706 ( 23.955 -15.631 0.000) 28.604 13.955 ( 0.321 7.565 0.000) 7.572 15.636 ( -16.219 -16.423 0.000) 23.082 ======================= Grid point 736 (128/140) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 11.498 3.932 0.000) 12.151 2.916 ( 8.696 28.793 0.000) 30.078 3.594 ( 3.855 5.216 0.000) 6.486 4.001 ( -4.196 19.782 0.000) 20.222 5.202 ( 15.385 -8.759 0.000) 17.704 5.667 ( 5.607 -0.920 0.000) 5.682 7.013 ( 2.914 8.893 0.000) 9.359 7.356 ( 3.338 4.563 0.000) 5.654 7.444 ( -1.500 -1.661 0.000) 2.238 7.695 ( -3.993 2.990 0.000) 4.988 9.290 ( 4.796 -2.585 0.000) 5.448 9.796 ( -2.317 -7.222 0.000) 7.585 11.627 ( 9.772 -5.976 0.000) 11.454 12.643 ( -5.547 -10.878 0.000) 12.210 12.825 ( -3.712 12.924 0.000) 13.447 13.802 ( -14.130 1.716 0.000) 14.233 14.176 ( 21.261 -16.411 0.000) 26.858 15.399 ( -6.994 -12.458 0.000) 14.287 ======================= Grid point 738 (129/140) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 14.926 5.847 0.000) 16.031 3.127 ( 11.523 26.779 0.000) 29.153 3.547 ( -7.303 6.495 0.000) 9.774 3.862 ( -8.969 20.194 0.000) 22.096 5.482 ( 11.731 -10.668 0.000) 15.856 5.775 ( 3.799 -1.987 0.000) 4.288 7.073 ( 2.875 8.216 0.000) 8.705 7.360 ( -6.207 -1.822 -0.000) 6.469 7.428 ( 3.613 4.148 0.000) 5.500 7.626 ( -2.559 2.117 0.000) 3.321 9.417 ( 7.060 -3.987 0.000) 8.108 9.748 ( -2.577 -8.695 0.000) 9.069 11.831 ( 9.937 -7.678 0.000) 12.557 12.493 ( -9.115 -11.963 0.000) 15.040 12.817 ( 2.771 5.923 0.000) 6.540 13.456 ( -17.180 -1.532 0.000) 17.248 14.582 ( 17.973 -15.996 0.000) 24.060 15.291 ( -5.003 -11.066 0.000) 12.145 ======================= Grid point 740 (130/140) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 15.152 6.617 0.000) 16.534 3.328 ( -11.545 5.939 0.000) 12.983 3.386 ( 11.502 25.266 0.000) 27.761 3.642 ( -11.892 21.964 0.000) 24.977 5.686 ( 7.806 -8.872 0.000) 11.817 5.794 ( -2.285 -5.013 0.000) 5.509 7.136 ( 3.501 5.094 0.000) 6.181 7.229 ( -5.660 0.891 -0.000) 5.730 7.504 ( 3.641 2.549 0.000) 4.445 7.573 ( -2.892 1.481 0.000) 3.249 9.563 ( 6.605 -5.987 0.000) 8.915 9.678 ( -4.397 -7.898 0.000) 9.039 12.043 ( 10.740 -9.317 0.000) 14.218 12.275 ( -11.397 -11.112 0.000) 15.917 12.930 ( 7.964 0.782 0.000) 8.002 13.143 ( -12.697 -1.674 0.000) 12.807 14.914 ( 13.895 -14.395 0.000) 20.007 15.151 ( -8.958 -12.350 0.000) 15.257 ======================= Grid point 760 (131/140) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 7.976 7.976 0.000) 11.280 3.216 ( 13.095 13.095 0.000) 18.519 3.549 ( 13.873 13.873 0.000) 19.620 4.339 ( 9.782 9.782 0.000) 13.834 4.856 ( 3.219 3.219 0.000) 4.553 5.587 ( 1.400 1.400 0.000) 1.979 7.090 ( 5.964 5.964 0.000) 8.434 7.371 ( 4.242 4.242 0.000) 5.999 7.439 ( -0.530 -0.530 0.000) 0.750 7.783 ( -0.489 -0.489 0.000) 0.691 9.208 ( 0.200 0.200 0.000) 0.283 9.738 ( -6.282 -6.282 0.000) 8.884 11.449 ( 3.624 3.624 0.000) 5.125 12.581 ( -6.966 -6.966 0.000) 9.852 13.179 ( -7.591 -7.591 0.000) 10.735 13.583 ( 12.069 12.069 0.000) 17.069 13.972 ( -7.262 -7.262 0.000) 10.270 15.337 ( -10.755 -10.755 0.000) 15.210 ======================= Grid point 762 (132/140) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 13.462 9.946 0.000) 16.738 3.416 ( 8.248 17.174 0.000) 19.052 3.778 ( 5.859 13.032 0.000) 14.289 4.392 ( -3.223 17.142 0.000) 17.442 5.014 ( 10.754 -8.896 0.000) 13.957 5.648 ( 4.071 -0.716 0.000) 4.133 7.192 ( 3.790 8.003 0.000) 8.855 7.406 ( -2.956 -2.249 -0.000) 3.714 7.452 ( 3.401 4.327 0.000) 5.504 7.740 ( -3.346 1.159 0.000) 3.541 9.243 ( 3.105 -1.684 0.000) 3.533 9.614 ( -5.043 -9.758 0.000) 10.984 11.563 ( 6.753 -0.537 0.000) 6.775 12.435 ( -7.374 -9.285 0.000) 11.857 12.939 ( -10.733 -3.841 0.000) 11.400 13.672 ( -19.516 -14.397 0.000) 24.252 13.951 ( 19.351 -2.112 0.000) 19.466 15.200 ( -3.815 -6.017 0.000) 7.125 ======================= Grid point 764 (133/140) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 15.718 10.739 0.000) 19.036 3.562 ( 4.059 12.480 0.000) 13.124 3.809 ( -0.129 19.870 0.000) 19.870 4.272 ( -7.569 18.494 0.000) 19.983 5.246 ( 11.119 -11.795 0.000) 16.209 5.710 ( 0.636 -4.496 0.000) 4.541 7.244 ( 1.235 7.897 0.000) 7.993 7.322 ( -4.399 -1.746 0.000) 4.732 7.511 ( 2.478 3.718 0.000) 4.468 7.667 ( -3.268 1.772 0.000) 3.717 9.327 ( 4.624 -4.497 0.000) 6.450 9.537 ( -2.613 -11.072 0.000) 11.376 11.713 ( 7.586 -3.940 0.000) 8.549 12.267 ( -9.026 -9.953 0.000) 13.436 12.788 ( -3.581 -9.301 0.000) 9.967 13.261 ( -18.430 -16.909 0.000) 25.012 14.341 ( 18.047 -5.425 0.000) 18.845 15.115 ( -5.458 -5.457 0.000) 7.718 ======================= Grid point 766 (134/140) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 14.808 10.443 0.000) 18.120 3.483 ( -10.300 8.956 0.000) 13.650 3.905 ( 8.552 23.523 0.000) 25.029 4.096 ( -9.196 20.676 0.000) 22.628 5.467 ( 10.111 -12.029 0.000) 15.714 5.647 ( -6.539 -9.255 0.000) 11.332 7.251 ( -0.157 5.769 0.000) 5.771 7.258 ( -1.439 1.981 0.000) 2.448 7.559 ( 2.245 2.680 0.000) 3.496 7.608 ( -2.544 1.891 0.000) 3.170 9.420 ( 4.062 -7.526 0.000) 8.552 9.488 ( -2.576 -10.008 0.000) 10.334 11.878 ( 8.542 -6.736 0.000) 10.879 12.069 ( -9.744 -8.912 0.000) 13.204 12.793 ( 3.936 -14.088 0.000) 14.628 12.950 ( -11.331 -16.650 0.000) 20.140 14.687 ( 15.049 -6.404 0.000) 16.355 14.952 ( -10.437 -6.165 0.000) 12.122 ======================= Grid point 788 (135/140) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 14.242 14.242 0.000) 20.142 3.656 ( 7.987 7.987 0.000) 11.296 4.048 ( 10.369 10.369 0.000) 14.665 4.658 ( 5.475 5.475 0.000) 7.743 4.880 ( -0.879 -0.879 0.000) 1.243 5.637 ( -0.733 -0.733 0.000) 1.037 7.328 ( 4.819 4.819 0.000) 6.815 7.348 ( -3.169 -3.169 0.000) 4.482 7.527 ( 2.953 2.953 0.000) 4.177 7.737 ( -1.369 -1.369 0.000) 1.935 9.226 ( 0.017 0.017 0.000) 0.024 9.427 ( -7.498 -7.498 0.000) 10.603 11.588 ( 2.622 2.622 0.000) 3.708 12.253 ( -8.502 -8.502 0.000) 12.024 12.724 ( -13.436 -13.436 0.000) 19.002 13.266 ( -22.578 -22.578 0.000) 31.929 14.078 ( 11.672 11.672 0.000) 16.507 15.122 ( -2.832 -2.832 0.000) 4.005 ======================= Grid point 790 (136/140) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 15.503 14.054 0.000) 20.925 3.761 ( 1.353 8.214 0.000) 8.325 4.194 ( 5.186 14.882 0.000) 15.760 4.599 ( -6.392 12.803 0.000) 14.310 5.009 ( 8.962 -10.788 0.000) 14.025 5.583 ( -5.374 -7.984 0.000) 9.624 7.297 ( -1.092 -0.353 0.000) 1.147 7.385 ( 0.706 5.453 0.000) 5.498 7.577 ( 1.942 2.585 0.000) 3.233 7.695 ( -2.381 0.784 0.000) 2.507 9.240 ( 1.187 -3.689 0.000) 3.876 9.321 ( -2.934 -9.102 0.000) 9.563 11.659 ( 4.107 -1.427 0.000) 4.348 12.078 ( -8.537 -8.387 0.000) 11.967 12.486 ( -8.254 -17.330 0.000) 19.196 12.820 ( -19.069 -23.681 0.000) 30.404 14.356 ( 14.213 5.392 0.000) 15.201 15.041 ( -5.597 -2.691 0.000) 6.210 ======================= Grid point 792 (137/140) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 13.495 12.923 0.000) 18.685 3.689 ( -7.991 10.554 0.000) 13.238 4.315 ( 6.732 15.439 0.000) 16.842 4.460 ( -6.967 13.896 0.000) 15.545 5.202 ( 9.842 -13.242 0.000) 16.499 5.414 ( -10.131 -13.008 0.000) 16.488 7.313 ( 2.268 3.282 -0.000) 3.990 7.365 ( -2.222 5.097 0.000) 5.561 7.612 ( 1.626 2.438 0.000) 2.931 7.649 ( -1.970 1.970 0.000) 2.786 9.266 ( 1.148 -6.964 0.000) 7.058 9.286 ( -0.936 -8.951 0.000) 9.000 11.760 ( 5.810 -4.748 0.000) 7.503 11.904 ( -7.983 -7.051 0.000) 10.651 12.406 ( 0.638 -21.091 0.000) 21.100 12.515 ( -10.039 -23.313 0.000) 25.382 14.642 ( 13.045 1.075 0.000) 13.090 14.881 ( -9.829 -1.591 0.000) 9.957 ======================= Grid point 816 (138/140) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 14.577 14.577 0.000) 20.615 3.896 ( 4.110 4.110 0.000) 5.812 4.413 ( 7.190 7.190 0.000) 10.169 4.793 ( 1.247 1.247 -0.000) 1.764 4.820 ( -2.160 -2.160 0.000) 3.055 5.376 ( -11.703 -11.703 0.000) 16.551 7.319 ( 2.555 2.555 0.000) 3.613 7.459 ( 1.619 1.619 0.000) 2.289 7.622 ( 1.958 1.958 0.000) 2.769 7.699 ( -0.286 -0.286 -0.000) 0.405 9.178 ( -2.291 -2.291 -0.000) 3.240 9.182 ( -4.220 -4.220 0.000) 5.967 11.649 ( 0.389 0.389 0.000) 0.549 11.917 ( -7.195 -7.195 0.000) 10.175 12.163 ( -12.478 -12.478 0.000) 17.646 12.359 ( -19.424 -19.424 0.000) 27.469 14.510 ( 8.678 8.678 0.000) 12.273 14.973 ( -4.330 -4.330 0.000) 6.123 ======================= Grid point 818 (139/140) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 11.403 12.856 0.000) 17.185 3.899 ( -4.195 9.116 0.000) 10.035 4.539 ( 5.771 6.649 0.000) 8.804 4.662 ( -6.221 5.799 0.000) 8.504 4.941 ( 7.013 -11.197 0.000) 13.212 5.129 ( -11.189 -13.770 0.000) 17.743 7.390 ( 3.741 3.936 0.000) 5.430 7.453 ( -1.989 3.162 0.000) 3.735 7.659 ( 1.569 2.084 0.000) 2.609 7.686 ( -0.974 1.500 -0.000) 1.788 9.137 ( -0.564 -5.277 0.000) 5.307 9.144 ( -1.075 -4.683 0.000) 4.804 11.681 ( 3.025 -2.795 0.000) 4.118 11.778 ( -6.097 -4.974 0.000) 7.869 12.004 ( -2.574 -16.253 0.000) 16.455 12.063 ( -8.550 -18.955 0.000) 20.794 14.693 ( 8.627 3.221 0.000) 9.209 14.856 ( -6.929 -1.321 0.000) 7.054 ======================= Grid point 844 (140/140) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( 8.297 8.297 0.000) 11.734 4.028 ( 2.233 2.233 0.000) 3.158 4.624 ( 2.743 2.743 0.000) 3.879 4.693 ( -3.292 -3.292 0.000) 4.655 4.799 ( -0.340 -0.340 -0.000) 0.481 4.888 ( -8.462 -8.462 -0.000) 11.967 7.461 ( 2.624 2.624 0.000) 3.711 7.488 ( 0.147 0.147 0.000) 0.208 7.695 ( 1.257 1.257 0.000) 1.777 7.706 ( 0.307 0.307 0.000) 0.434 9.070 ( -1.313 -1.313 0.000) 1.857 9.076 ( -1.846 -1.846 0.000) 2.610 11.653 ( 0.476 0.476 0.000) 0.673 11.701 ( -2.847 -2.847 0.000) 4.026 11.772 ( -5.851 -5.851 0.000) 8.274 11.777 ( -7.622 -7.622 0.000) 10.780 14.761 ( 3.150 3.150 0.000) 4.455 14.818 ( -2.351 -2.351 0.000) 3.325 =================== 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 3/24336 10.0 1294.725 1294.725 3869.040 0.000 0.000 0.000 3/24336 20.0 1000.911 1000.911 1011.524 0.000 0.000 0.000 3/24336 30.0 658.893 658.893 437.147 0.000 -0.000 0.000 3/24336 40.0 410.353 410.353 230.671 0.000 -0.000 0.000 3/24336 50.0 259.119 259.119 132.653 -0.000 -0.000 0.000 3/24336 60.0 173.125 173.125 82.676 -0.000 -0.000 0.000 3/24336 70.0 122.919 122.919 55.584 -0.000 -0.000 0.000 3/24336 80.0 91.886 91.886 39.822 -0.000 -0.000 0.000 3/24336 90.0 71.629 71.629 30.035 -0.000 -0.000 0.000 3/24336 100.0 57.792 57.792 23.612 -0.000 -0.000 0.000 3/24336 110.0 47.977 47.977 19.198 -0.000 -0.000 0.000 3/24336 120.0 40.783 40.783 16.044 -0.000 -0.000 0.000 3/24336 130.0 35.357 35.357 13.712 -0.000 -0.000 0.000 3/24336 140.0 31.158 31.158 11.938 -0.000 -0.000 0.000 3/24336 150.0 27.837 27.837 10.554 -0.000 -0.000 0.000 3/24336 160.0 25.156 25.156 9.451 -0.000 -0.000 0.000 3/24336 170.0 22.953 22.953 8.555 -0.000 -0.000 0.000 3/24336 180.0 21.116 21.116 7.815 -0.000 -0.000 0.000 3/24336 190.0 19.561 19.561 7.194 -0.000 -0.000 0.000 3/24336 200.0 18.229 18.229 6.667 -0.000 -0.000 0.000 3/24336 210.0 17.077 17.077 6.214 -0.000 -0.000 0.000 3/24336 220.0 16.069 16.069 5.821 -0.000 -0.000 0.000 3/24336 230.0 15.180 15.180 5.477 -0.000 -0.000 0.000 3/24336 240.0 14.390 14.390 5.174 -0.000 -0.000 0.000 3/24336 250.0 13.683 13.683 4.903 -0.000 -0.000 0.000 3/24336 260.0 13.047 13.047 4.661 -0.000 -0.000 0.000 3/24336 270.0 12.470 12.470 4.443 -0.000 -0.000 0.000 3/24336 280.0 11.946 11.946 4.246 -0.000 -0.000 0.000 3/24336 290.0 11.466 11.466 4.066 -0.000 -0.000 0.000 3/24336 300.0 11.025 11.025 3.902 -0.000 -0.000 0.000 3/24336 310.0 10.619 10.619 3.751 -0.000 -0.000 0.000 3/24336 320.0 10.243 10.243 3.612 -0.000 -0.000 0.000 3/24336 330.0 9.894 9.894 3.484 -0.000 -0.000 0.000 3/24336 340.0 9.570 9.570 3.365 -0.000 -0.000 0.000 3/24336 350.0 9.267 9.267 3.254 -0.000 -0.000 0.000 3/24336 360.0 8.983 8.983 3.150 -0.000 -0.000 0.000 3/24336 370.0 8.717 8.717 3.054 -0.000 -0.000 0.000 3/24336 380.0 8.467 8.467 2.963 -0.000 -0.000 0.000 3/24336 390.0 8.231 8.231 2.878 -0.000 -0.000 0.000 3/24336 400.0 8.009 8.009 2.798 -0.000 -0.000 0.000 3/24336 410.0 7.799 7.799 2.722 -0.000 -0.000 0.000 3/24336 420.0 7.600 7.600 2.650 -0.000 -0.000 0.000 3/24336 430.0 7.411 7.411 2.583 -0.000 -0.000 0.000 3/24336 440.0 7.232 7.232 2.519 -0.000 -0.000 0.000 3/24336 450.0 7.061 7.061 2.458 -0.000 -0.000 0.000 3/24336 460.0 6.899 6.899 2.400 -0.000 -0.000 0.000 3/24336 470.0 6.744 6.744 2.345 -0.000 -0.000 0.000 3/24336 480.0 6.596 6.596 2.292 -0.000 -0.000 0.000 3/24336 490.0 6.454 6.454 2.242 -0.000 -0.000 0.000 3/24336 500.0 6.319 6.319 2.194 -0.000 -0.000 0.000 3/24336 510.0 6.189 6.189 2.148 -0.000 -0.000 0.000 3/24336 520.0 6.065 6.065 2.104 -0.000 -0.000 0.000 3/24336 530.0 5.946 5.946 2.062 -0.000 -0.000 0.000 3/24336 540.0 5.831 5.831 2.021 -0.000 -0.000 0.000 3/24336 550.0 5.721 5.721 1.983 -0.000 -0.000 0.000 3/24336 560.0 5.615 5.615 1.945 -0.000 -0.000 0.000 3/24336 570.0 5.513 5.513 1.909 -0.000 -0.000 0.000 3/24336 580.0 5.414 5.414 1.875 -0.000 -0.000 0.000 3/24336 590.0 5.320 5.320 1.842 -0.000 -0.000 0.000 3/24336 600.0 5.228 5.228 1.810 -0.000 -0.000 0.000 3/24336 610.0 5.140 5.140 1.779 -0.000 -0.000 0.000 3/24336 620.0 5.054 5.054 1.749 -0.000 -0.000 0.000 3/24336 630.0 4.972 4.972 1.720 -0.000 -0.000 0.000 3/24336 640.0 4.892 4.892 1.692 -0.000 -0.000 0.000 3/24336 650.0 4.815 4.815 1.665 -0.000 -0.000 0.000 3/24336 660.0 4.740 4.740 1.639 -0.000 -0.000 0.000 3/24336 670.0 4.667 4.667 1.613 -0.000 -0.000 0.000 3/24336 680.0 4.597 4.597 1.589 -0.000 -0.000 0.000 3/24336 690.0 4.529 4.529 1.565 -0.000 -0.000 0.000 3/24336 700.0 4.462 4.462 1.542 -0.000 -0.000 0.000 3/24336 710.0 4.398 4.398 1.520 -0.000 -0.000 0.000 3/24336 720.0 4.336 4.336 1.498 -0.000 -0.000 0.000 3/24336 730.0 4.275 4.275 1.477 -0.000 -0.000 0.000 3/24336 740.0 4.216 4.216 1.456 -0.000 -0.000 0.000 3/24336 750.0 4.159 4.159 1.436 -0.000 -0.000 0.000 3/24336 760.0 4.103 4.103 1.417 -0.000 -0.000 0.000 3/24336 770.0 4.049 4.049 1.398 -0.000 -0.000 0.000 3/24336 780.0 3.996 3.996 1.380 -0.000 -0.000 0.000 3/24336 790.0 3.945 3.945 1.362 -0.000 -0.000 0.000 3/24336 800.0 3.894 3.894 1.344 -0.000 -0.000 0.000 3/24336 810.0 3.846 3.846 1.327 -0.000 -0.000 0.000 3/24336 820.0 3.798 3.798 1.311 -0.000 -0.000 0.000 3/24336 830.0 3.751 3.751 1.295 -0.000 -0.000 0.000 3/24336 840.0 3.706 3.706 1.279 -0.000 -0.000 0.000 3/24336 850.0 3.662 3.662 1.264 -0.000 -0.000 0.000 3/24336 860.0 3.619 3.619 1.249 -0.000 -0.000 0.000 3/24336 870.0 3.576 3.576 1.234 -0.000 -0.000 0.000 3/24336 880.0 3.535 3.535 1.220 -0.000 -0.000 0.000 3/24336 890.0 3.495 3.495 1.206 -0.000 -0.000 0.000 3/24336 900.0 3.456 3.456 1.192 -0.000 -0.000 0.000 3/24336 910.0 3.417 3.417 1.179 -0.000 -0.000 0.000 3/24336 920.0 3.380 3.380 1.166 -0.000 -0.000 0.000 3/24336 930.0 3.343 3.343 1.153 -0.000 -0.000 0.000 3/24336 940.0 3.307 3.307 1.141 -0.000 -0.000 0.000 3/24336 950.0 3.272 3.272 1.129 -0.000 -0.000 0.000 3/24336 960.0 3.237 3.237 1.117 -0.000 -0.000 0.000 3/24336 970.0 3.203 3.203 1.105 -0.000 -0.000 0.000 3/24336 980.0 3.170 3.170 1.094 -0.000 -0.000 0.000 3/24336 990.0 3.138 3.138 1.082 -0.000 -0.000 0.000 3/24336 1000.0 3.106 3.106 1.071 -0.000 -0.000 0.000 3/24336 Thermal conductivity related properties were written into "kappa-m13138.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:23:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|