----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:42:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.930486036507873 1.114566632844632 6.063984913333326 b -1.930486036507870 1.114566632844632 6.063984913333326 c 0.000000000000002 -2.229133265689268 6.063984913333326 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 S 0.75089454181728 0.75089454181728 0.75089454181728 32.065 3 S 0.24910545818272 0.24910545818272 0.24910545818272 32.065 *4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.860972073015743 0.000000000000000 0.000000000000000 b -1.930486036507872 3.343699898533900 0.000000000000000 c 0.000000000000000 0.000000000000000 18.191954739999996 Atomic positions (fractional): *1 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 2 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 3 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 *4 S 0.00000000000000 0.00000000000000 0.75089454181728 32.065 > 2 5 S 0.33333333333333 0.66666666666667 0.91577212484939 32.065 > 3 6 S 0.66666666666667 0.33333333333333 0.08422787515061 32.065 > 2 7 S 0.00000000000000 0.00000000000000 0.24910545818272 32.065 > 3 8 S 0.33333333333333 0.66666666666667 0.41756120848395 32.065 > 2 9 S 0.66666666666667 0.33333333333333 0.58243879151605 32.065 > 3 *10 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 11 Dy 0.66666666666667 0.33333333333333 0.33333333333333 162.500 > 4 12 Dy 0.33333333333333 0.66666666666667 0.66666666666667 162.500 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.582916219047229 0.000000000000000 0.000000000000000 b -5.791458109523616 10.031099695601700 0.000000000000000 c 0.000000000000000 0.000000000000000 18.191954739999996 Atomic positions (fractional): *1 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 10 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 11 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 12 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 13 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 14 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 15 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 16 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 17 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 18 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 23 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 24 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 26 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 27 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 *28 S 0.00000000000000 0.00000000000000 0.75089454181728 32.065 > 2 29 S 0.33333333333333 0.00000000000000 0.75089454181728 32.065 > 2 30 S 0.66666666666667 0.00000000000000 0.75089454181728 32.065 > 2 31 S 0.00000000000000 0.33333333333333 0.75089454181728 32.065 > 2 32 S 0.33333333333333 0.33333333333333 0.75089454181728 32.065 > 2 33 S 0.66666666666667 0.33333333333333 0.75089454181728 32.065 > 2 34 S 0.00000000000000 0.66666666666667 0.75089454181728 32.065 > 2 35 S 0.33333333333333 0.66666666666667 0.75089454181728 32.065 > 2 36 S 0.66666666666667 0.66666666666667 0.75089454181728 32.065 > 2 37 S 0.11111111111111 0.22222222222222 0.91577212484939 32.065 > 3 38 S 0.44444444444444 0.22222222222222 0.91577212484939 32.065 > 3 39 S 0.77777777777778 0.22222222222222 0.91577212484939 32.065 > 3 40 S 0.11111111111111 0.55555555555556 0.91577212484939 32.065 > 3 41 S 0.44444444444444 0.55555555555556 0.91577212484939 32.065 > 3 42 S 0.77777777777778 0.55555555555556 0.91577212484939 32.065 > 3 43 S 0.11111111111111 0.88888888888889 0.91577212484939 32.065 > 3 44 S 0.44444444444444 0.88888888888889 0.91577212484939 32.065 > 3 45 S 0.77777777777778 0.88888888888889 0.91577212484939 32.065 > 3 46 S 0.22222222222222 0.11111111111111 0.08422787515061 32.065 > 2 47 S 0.55555555555556 0.11111111111111 0.08422787515061 32.065 > 2 48 S 0.88888888888889 0.11111111111111 0.08422787515061 32.065 > 2 49 S 0.22222222222222 0.44444444444444 0.08422787515061 32.065 > 2 50 S 0.55555555555556 0.44444444444444 0.08422787515061 32.065 > 2 51 S 0.88888888888889 0.44444444444444 0.08422787515061 32.065 > 2 52 S 0.22222222222222 0.77777777777778 0.08422787515061 32.065 > 2 53 S 0.55555555555556 0.77777777777778 0.08422787515061 32.065 > 2 54 S 0.88888888888889 0.77777777777778 0.08422787515061 32.065 > 2 55 S 0.00000000000000 0.00000000000000 0.24910545818272 32.065 > 3 56 S 0.33333333333333 0.00000000000000 0.24910545818272 32.065 > 3 57 S 0.66666666666667 0.00000000000000 0.24910545818272 32.065 > 3 58 S 0.00000000000000 0.33333333333333 0.24910545818272 32.065 > 3 59 S 0.33333333333333 0.33333333333333 0.24910545818272 32.065 > 3 60 S 0.66666666666667 0.33333333333333 0.24910545818272 32.065 > 3 61 S 0.00000000000000 0.66666666666667 0.24910545818272 32.065 > 3 62 S 0.33333333333333 0.66666666666667 0.24910545818272 32.065 > 3 63 S 0.66666666666667 0.66666666666667 0.24910545818272 32.065 > 3 64 S 0.11111111111111 0.22222222222222 0.41756120848395 32.065 > 2 65 S 0.44444444444444 0.22222222222222 0.41756120848395 32.065 > 2 66 S 0.77777777777778 0.22222222222222 0.41756120848395 32.065 > 2 67 S 0.11111111111111 0.55555555555556 0.41756120848395 32.065 > 2 68 S 0.44444444444444 0.55555555555556 0.41756120848395 32.065 > 2 69 S 0.77777777777778 0.55555555555556 0.41756120848395 32.065 > 2 70 S 0.11111111111111 0.88888888888889 0.41756120848395 32.065 > 2 71 S 0.44444444444444 0.88888888888889 0.41756120848395 32.065 > 2 72 S 0.77777777777778 0.88888888888889 0.41756120848395 32.065 > 2 73 S 0.22222222222222 0.11111111111111 0.58243879151605 32.065 > 3 74 S 0.55555555555556 0.11111111111111 0.58243879151605 32.065 > 3 75 S 0.88888888888889 0.11111111111111 0.58243879151605 32.065 > 3 76 S 0.22222222222222 0.44444444444444 0.58243879151605 32.065 > 3 77 S 0.55555555555556 0.44444444444444 0.58243879151605 32.065 > 3 78 S 0.88888888888889 0.44444444444444 0.58243879151605 32.065 > 3 79 S 0.22222222222222 0.77777777777778 0.58243879151605 32.065 > 3 80 S 0.55555555555556 0.77777777777778 0.58243879151605 32.065 > 3 81 S 0.88888888888889 0.77777777777778 0.58243879151605 32.065 > 3 *82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 4 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 4 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 4 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 4 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 4 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 4 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 4 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 4 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 4 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 4 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 4 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 4 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 4 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 4 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 4 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 4 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 4 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 4 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 4 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 4 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 4 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 4 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 4 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 4 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 4 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 4 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9339080 0.0000000 0.0000000 0.0000000 6.9339080 0.0000000 0.0000000 0.0000000 5.5010522 -------------------------- Born effective charges -------------------------- 1 Li 1.2321864 -0.0000000 0.0000000 0.0000000 1.2321864 0.0000000 0.0000000 0.0000000 1.6422430 2 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 3 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 4 Dy 4.4231988 -0.0000000 0.0000000 0.0000000 4.4231988 0.0000000 0.0000000 0.0000000 2.4493227 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.112 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.119 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:42:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.930486036507873 1.114566632844632 6.063984913333326 b -1.930486036507870 1.114566632844632 6.063984913333326 c 0.000000000000002 -2.229133265689268 6.063984913333326 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.75089454181728 0.75089454181728 0.75089454181728 32.065 3 S 0.24910545818272 0.24910545818272 0.24910545818272 32.065 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.582916219047229 0.000000000000000 0.000000000000000 b -5.791458109523616 10.031099695601700 0.000000000000000 c 0.000000000000000 0.000000000000000 18.191954739999996 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 10 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 11 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 12 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 13 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 14 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 15 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 16 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 17 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 18 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 23 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 24 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 26 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 27 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.75089454181728 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.75089454181728 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.75089454181728 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.75089454181728 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.75089454181728 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.75089454181728 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.75089454181728 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.75089454181728 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.75089454181728 32.065 > 28 37 S 0.11111111111111 0.22222222222222 0.91577212484939 32.065 > 37 38 S 0.44444444444444 0.22222222222222 0.91577212484939 32.065 > 37 39 S 0.77777777777778 0.22222222222222 0.91577212484939 32.065 > 37 40 S 0.11111111111111 0.55555555555556 0.91577212484939 32.065 > 37 41 S 0.44444444444444 0.55555555555556 0.91577212484939 32.065 > 37 42 S 0.77777777777778 0.55555555555556 0.91577212484939 32.065 > 37 43 S 0.11111111111111 0.88888888888889 0.91577212484939 32.065 > 37 44 S 0.44444444444444 0.88888888888889 0.91577212484939 32.065 > 37 45 S 0.77777777777778 0.88888888888889 0.91577212484939 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.08422787515061 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.08422787515061 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.08422787515061 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.08422787515061 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.08422787515061 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.08422787515061 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.08422787515061 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.08422787515061 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.08422787515061 32.065 > 28 55 S 0.00000000000000 0.00000000000000 0.24910545818272 32.065 > 37 56 S 0.33333333333333 0.00000000000000 0.24910545818272 32.065 > 37 57 S 0.66666666666667 0.00000000000000 0.24910545818272 32.065 > 37 58 S 0.00000000000000 0.33333333333333 0.24910545818272 32.065 > 37 59 S 0.33333333333333 0.33333333333333 0.24910545818272 32.065 > 37 60 S 0.66666666666667 0.33333333333333 0.24910545818272 32.065 > 37 61 S 0.00000000000000 0.66666666666667 0.24910545818272 32.065 > 37 62 S 0.33333333333333 0.66666666666667 0.24910545818272 32.065 > 37 63 S 0.66666666666667 0.66666666666667 0.24910545818272 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.41756120848395 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.41756120848395 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.41756120848395 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.41756120848395 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.41756120848395 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.41756120848395 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.41756120848395 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.41756120848395 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.41756120848395 32.065 > 28 73 S 0.22222222222222 0.11111111111111 0.58243879151605 32.065 > 37 74 S 0.55555555555556 0.11111111111111 0.58243879151605 32.065 > 37 75 S 0.88888888888889 0.11111111111111 0.58243879151605 32.065 > 37 76 S 0.22222222222222 0.44444444444444 0.58243879151605 32.065 > 37 77 S 0.55555555555556 0.44444444444444 0.58243879151605 32.065 > 37 78 S 0.88888888888889 0.44444444444444 0.58243879151605 32.065 > 37 79 S 0.22222222222222 0.77777777777778 0.58243879151605 32.065 > 37 80 S 0.55555555555556 0.77777777777778 0.58243879151605 32.065 > 37 81 S 0.88888888888889 0.77777777777778 0.58243879151605 32.065 > 37 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.9339080 0.0000000 0.0000000 0.0000000 6.9339080 0.0000000 0.0000000 0.0000000 5.5010522 -------------------------- Born effective charges -------------------------- 1 Li 1.2321864 -0.0000000 0.0000000 0.0000000 1.2321864 0.0000000 0.0000000 0.0000000 1.6422430 2 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 3 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 4 Dy 4.4231988 -0.0000000 0.0000000 0.0000000 4.4231988 0.0000000 0.0000000 0.0000000 2.4493227 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:42:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.930486036507873 1.114566632844632 6.063984913333326 b -1.930486036507870 1.114566632844632 6.063984913333326 c 0.000000000000002 -2.229133265689268 6.063984913333326 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.75089454181728 0.75089454181728 0.75089454181728 32.065 3 S 0.24910545818272 0.24910545818272 0.24910545818272 32.065 4 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.582916219047229 0.000000000000000 0.000000000000000 b -5.791458109523616 10.031099695601700 0.000000000000000 c 0.000000000000000 0.000000000000000 18.191954739999996 Atomic positions (fractional): 1 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 2 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 3 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 4 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 5 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 6 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 7 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 8 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 9 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 10 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 11 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 12 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 13 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 14 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 15 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 16 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 17 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 18 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 22 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 23 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 24 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 26 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 27 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 28 S 0.00000000000000 0.00000000000000 0.75089454181728 32.065 > 28 29 S 0.33333333333333 0.00000000000000 0.75089454181728 32.065 > 28 30 S 0.66666666666667 0.00000000000000 0.75089454181728 32.065 > 28 31 S 0.00000000000000 0.33333333333333 0.75089454181728 32.065 > 28 32 S 0.33333333333333 0.33333333333333 0.75089454181728 32.065 > 28 33 S 0.66666666666667 0.33333333333333 0.75089454181728 32.065 > 28 34 S 0.00000000000000 0.66666666666667 0.75089454181728 32.065 > 28 35 S 0.33333333333333 0.66666666666667 0.75089454181728 32.065 > 28 36 S 0.66666666666667 0.66666666666667 0.75089454181728 32.065 > 28 37 S 0.11111111111111 0.22222222222222 0.91577212484939 32.065 > 37 38 S 0.44444444444444 0.22222222222222 0.91577212484939 32.065 > 37 39 S 0.77777777777778 0.22222222222222 0.91577212484939 32.065 > 37 40 S 0.11111111111111 0.55555555555556 0.91577212484939 32.065 > 37 41 S 0.44444444444444 0.55555555555556 0.91577212484939 32.065 > 37 42 S 0.77777777777778 0.55555555555556 0.91577212484939 32.065 > 37 43 S 0.11111111111111 0.88888888888889 0.91577212484939 32.065 > 37 44 S 0.44444444444444 0.88888888888889 0.91577212484939 32.065 > 37 45 S 0.77777777777778 0.88888888888889 0.91577212484939 32.065 > 37 46 S 0.22222222222222 0.11111111111111 0.08422787515061 32.065 > 28 47 S 0.55555555555556 0.11111111111111 0.08422787515061 32.065 > 28 48 S 0.88888888888889 0.11111111111111 0.08422787515061 32.065 > 28 49 S 0.22222222222222 0.44444444444444 0.08422787515061 32.065 > 28 50 S 0.55555555555556 0.44444444444444 0.08422787515061 32.065 > 28 51 S 0.88888888888889 0.44444444444444 0.08422787515061 32.065 > 28 52 S 0.22222222222222 0.77777777777778 0.08422787515061 32.065 > 28 53 S 0.55555555555556 0.77777777777778 0.08422787515061 32.065 > 28 54 S 0.88888888888889 0.77777777777778 0.08422787515061 32.065 > 28 55 S 0.00000000000000 0.00000000000000 0.24910545818272 32.065 > 37 56 S 0.33333333333333 0.00000000000000 0.24910545818272 32.065 > 37 57 S 0.66666666666667 0.00000000000000 0.24910545818272 32.065 > 37 58 S 0.00000000000000 0.33333333333333 0.24910545818272 32.065 > 37 59 S 0.33333333333333 0.33333333333333 0.24910545818272 32.065 > 37 60 S 0.66666666666667 0.33333333333333 0.24910545818272 32.065 > 37 61 S 0.00000000000000 0.66666666666667 0.24910545818272 32.065 > 37 62 S 0.33333333333333 0.66666666666667 0.24910545818272 32.065 > 37 63 S 0.66666666666667 0.66666666666667 0.24910545818272 32.065 > 37 64 S 0.11111111111111 0.22222222222222 0.41756120848395 32.065 > 28 65 S 0.44444444444444 0.22222222222222 0.41756120848395 32.065 > 28 66 S 0.77777777777778 0.22222222222222 0.41756120848395 32.065 > 28 67 S 0.11111111111111 0.55555555555556 0.41756120848395 32.065 > 28 68 S 0.44444444444444 0.55555555555556 0.41756120848395 32.065 > 28 69 S 0.77777777777778 0.55555555555556 0.41756120848395 32.065 > 28 70 S 0.11111111111111 0.88888888888889 0.41756120848395 32.065 > 28 71 S 0.44444444444444 0.88888888888889 0.41756120848395 32.065 > 28 72 S 0.77777777777778 0.88888888888889 0.41756120848395 32.065 > 28 73 S 0.22222222222222 0.11111111111111 0.58243879151605 32.065 > 37 74 S 0.55555555555556 0.11111111111111 0.58243879151605 32.065 > 37 75 S 0.88888888888889 0.11111111111111 0.58243879151605 32.065 > 37 76 S 0.22222222222222 0.44444444444444 0.58243879151605 32.065 > 37 77 S 0.55555555555556 0.44444444444444 0.58243879151605 32.065 > 37 78 S 0.88888888888889 0.44444444444444 0.58243879151605 32.065 > 37 79 S 0.22222222222222 0.77777777777778 0.58243879151605 32.065 > 37 80 S 0.55555555555556 0.77777777777778 0.58243879151605 32.065 > 37 81 S 0.88888888888889 0.77777777777778 0.58243879151605 32.065 > 37 82 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 82 83 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 82 84 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 82 85 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 82 86 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 82 87 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 82 88 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 82 89 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 82 90 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 82 91 Dy 0.22222222222222 0.11111111111111 0.33333333333333 162.500 > 82 92 Dy 0.55555555555556 0.11111111111111 0.33333333333333 162.500 > 82 93 Dy 0.88888888888889 0.11111111111111 0.33333333333333 162.500 > 82 94 Dy 0.22222222222222 0.44444444444444 0.33333333333333 162.500 > 82 95 Dy 0.55555555555556 0.44444444444444 0.33333333333333 162.500 > 82 96 Dy 0.88888888888889 0.44444444444444 0.33333333333333 162.500 > 82 97 Dy 0.22222222222222 0.77777777777778 0.33333333333333 162.500 > 82 98 Dy 0.55555555555556 0.77777777777778 0.33333333333333 162.500 > 82 99 Dy 0.88888888888889 0.77777777777778 0.33333333333333 162.500 > 82 100 Dy 0.11111111111111 0.22222222222222 0.66666666666667 162.500 > 82 101 Dy 0.44444444444444 0.22222222222222 0.66666666666667 162.500 > 82 102 Dy 0.77777777777778 0.22222222222222 0.66666666666667 162.500 > 82 103 Dy 0.11111111111111 0.55555555555556 0.66666666666667 162.500 > 82 104 Dy 0.44444444444444 0.55555555555556 0.66666666666667 162.500 > 82 105 Dy 0.77777777777778 0.55555555555556 0.66666666666667 162.500 > 82 106 Dy 0.11111111111111 0.88888888888889 0.66666666666667 162.500 > 82 107 Dy 0.44444444444444 0.88888888888889 0.66666666666667 162.500 > 82 108 Dy 0.77777777777778 0.88888888888889 0.66666666666667 162.500 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.9339080 0.0000000 0.0000000 0.0000000 6.9339080 0.0000000 0.0000000 0.0000000 5.5010522 -------------------------- Born effective charges -------------------------- 1 Li 1.2321864 -0.0000000 0.0000000 0.0000000 1.2321864 0.0000000 0.0000000 0.0000000 1.6422430 2 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 3 S -2.8276926 0.0000000 0.0000000 0.0000000 -2.8276926 0.0000000 0.0000000 0.0000000 -2.0457828 4 Dy 4.4231988 -0.0000000 0.0000000 0.0000000 4.4231988 0.0000000 0.0000000 0.0000000 2.4493227 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.97, Number of G-points: 299, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 20.980 12.113 5.166) 24.770 0.511 ( 21.037 12.146 7.334) 25.375 0.940 ( 39.726 22.936 2.432) 45.936 4.539 ( 1.775 1.025 -0.173) 2.057 4.662 ( 6.702 3.869 -0.263) 7.743 6.011 ( 2.067 1.193 1.910) 3.057 6.133 ( 2.430 1.403 1.150) 3.032 6.676 ( -0.895 -0.517 0.263) 1.067 6.723 ( 3.400 1.963 -1.676) 4.269 8.392 ( -3.362 -1.941 -14.546) 15.055 8.573 ( -5.936 -3.427 9.001) 11.314 10.139 ( -5.108 -2.949 4.568) 7.460 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 19.706 11.377 4.216) 23.142 1.019 ( 20.808 12.014 6.394) 24.864 1.829 ( 36.544 21.099 0.801) 42.205 4.605 ( 4.050 2.338 -0.078) 4.678 4.882 ( 11.990 6.922 1.264) 13.903 6.081 ( 2.743 1.584 3.597) 4.792 6.211 ( 3.428 1.979 3.097) 5.026 6.651 ( -1.055 -0.609 -0.443) 1.296 6.827 ( 6.062 3.500 -1.994) 7.278 8.203 ( -8.014 -4.627 -16.024) 18.504 8.425 ( -10.620 -6.131 16.163) 20.288 9.987 ( -7.933 -4.580 -5.489) 10.679 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 16.923 9.770 2.865) 19.750 1.504 ( 19.186 11.077 4.720) 22.651 2.608 ( 30.737 17.746 -0.965) 35.505 4.727 ( 6.505 3.756 0.147) 7.513 5.209 ( 15.289 8.827 2.660) 17.853 6.141 ( 0.670 0.387 4.904) 4.964 6.305 ( 3.775 2.179 2.375) 4.964 6.640 ( 0.913 0.527 -2.158) 2.402 6.971 ( 6.437 3.717 -1.040) 7.506 7.913 ( -13.003 -7.507 -7.958) 16.993 8.226 ( -10.408 -6.009 10.713) 16.100 9.735 ( -10.945 -6.319 -12.387) 17.696 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 12.296 7.099 1.264) 14.254 1.922 ( 15.694 9.061 2.638) 18.313 3.224 ( 23.143 13.361 -1.336) 26.756 4.896 ( 7.748 4.473 -0.030) 8.946 5.579 ( 15.188 8.769 2.626) 17.733 6.138 ( -2.206 -1.274 4.930) 5.550 6.403 ( 4.324 2.496 0.650) 5.035 6.687 ( 3.906 2.255 -3.105) 5.475 7.083 ( 2.735 1.579 -0.662) 3.227 7.578 ( -13.562 -7.830 -1.856) 15.769 8.045 ( -7.860 -4.538 7.303) 11.649 9.406 ( -12.435 -7.179 -17.522) 22.653 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 6.693 3.864 -0.182) 7.730 2.238 ( 11.125 6.423 0.926) 12.880 3.671 ( 16.038 9.259 0.440) 18.524 5.060 ( 6.200 3.580 -0.906) 7.217 5.877 ( 8.963 5.175 0.260) 10.353 6.100 ( -2.012 -1.162 3.950) 4.583 6.508 ( 4.847 2.799 -1.050) 5.695 6.781 ( 4.816 2.780 -2.586) 6.133 7.074 ( -2.396 -1.383 -0.077) 2.768 7.324 ( -7.723 -4.459 -1.452) 9.035 7.919 ( -5.947 -3.434 7.977) 10.526 9.068 ( -10.173 -5.874 -18.555) 21.961 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 2.240 1.293 -0.789) 2.704 2.442 ( 6.521 3.765 0.096) 7.530 3.977 ( 10.164 5.868 2.423) 11.984 5.160 ( 2.828 1.633 -1.511) 3.598 5.954 ( -1.382 -0.798 -2.540) 2.999 6.087 ( -0.248 -0.143 2.591) 2.607 6.628 ( 6.087 3.514 -1.991) 7.306 6.877 ( 3.842 2.218 -1.451) 4.668 7.065 ( 2.143 1.237 2.372) 3.428 7.173 ( -5.395 -3.115 -2.250) 6.623 7.790 ( -7.800 -4.503 3.958) 9.838 8.843 ( -4.058 -2.343 -12.047) 12.926 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.309 0.178 -0.397) 0.534 2.542 ( 2.148 1.240 -0.041) 2.481 4.148 ( 3.742 2.160 1.559) 4.593 5.191 ( 0.590 0.341 -0.744) 1.009 5.880 ( -2.388 -1.379 -1.663) 3.220 6.096 ( 0.229 0.132 0.877) 0.916 6.745 ( 3.613 2.086 -1.290) 4.367 6.937 ( 1.492 0.861 -0.416) 1.772 7.063 ( -2.722 -1.571 -1.898) 3.671 7.166 ( 3.818 2.204 3.864) 5.862 7.612 ( -6.249 -3.608 -1.155) 7.307 8.775 ( -0.363 -0.210 -3.309) 3.336 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 23.196 3.368) 23.439 0.514 ( -0.000 22.486 7.210) 23.614 0.997 ( 0.000 44.513 11.738) 46.035 4.547 ( -0.000 2.275 1.315) 2.627 4.656 ( 0.000 7.986 -1.349) 8.099 5.970 ( 0.000 0.809 -5.315) 5.376 6.115 ( 0.000 2.667 -1.407) 3.015 6.687 ( -0.000 -0.649 2.076) 2.175 6.721 ( 0.000 3.922 -1.706) 4.277 8.322 ( 0.000 -3.770 -20.345) 20.691 8.602 ( -0.000 -4.185 9.247) 10.150 10.207 ( -0.000 -8.180 14.171) 16.362 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 12.694 17.113 7.963) 22.746 0.902 ( 14.481 19.987 2.909) 24.853 1.639 ( 18.732 37.561 6.448) 42.465 4.590 ( 1.368 3.802 1.024) 4.168 4.810 ( 6.824 10.651 0.545) 12.661 6.010 ( 4.781 -0.669 -1.588) 5.083 6.188 ( 4.467 3.342 -0.701) 5.622 6.673 ( -1.603 -0.369 2.134) 2.695 6.781 ( 2.720 5.027 -2.750) 6.342 8.173 ( -2.892 -6.933 -18.007) 19.511 8.540 ( -4.835 -9.255 14.163) 17.596 10.082 ( -8.693 -5.390 2.734) 10.588 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 14.772 12.766 5.374) 20.250 1.371 ( 15.911 17.760 3.344) 24.078 2.355 ( 23.164 28.253 1.481) 36.565 4.685 ( 3.905 5.498 0.821) 6.794 5.095 ( 11.532 12.766 2.604) 17.399 6.087 ( 4.814 -1.549 2.178) 5.506 6.304 ( 4.106 4.763 -0.665) 6.323 6.647 ( -1.764 0.528 0.731) 1.982 6.892 ( 5.649 4.313 -2.785) 7.633 7.954 ( -6.392 -9.417 -13.010) 17.286 8.365 ( -9.032 -10.578 13.300) 19.244 9.836 ( -12.304 -5.813 -6.557) 15.106 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 13.074 8.774 2.489) 15.941 1.810 ( 13.781 15.923 2.416) 21.196 2.982 ( 21.543 19.166 -1.085) 28.855 4.837 ( 5.853 6.953 0.620) 9.110 5.459 ( 13.171 13.662 3.617) 19.318 6.146 ( 2.111 -1.313 3.539) 4.325 6.407 ( 1.821 5.730 -0.355) 6.023 6.649 ( 1.217 2.119 -1.816) 3.044 7.020 ( 5.707 1.948 -2.317) 6.460 7.675 ( -9.693 -10.887 -6.283) 15.873 8.152 ( -8.318 -8.744 9.621) 15.434 9.501 ( -14.363 -7.248 -13.524) 21.017 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 9.074 4.829 0.106) 10.279 2.168 ( 9.670 13.675 0.965) 16.777 3.469 ( 17.830 11.311 -0.866) 21.132 5.013 ( 5.577 7.347 -0.119) 9.225 5.807 ( 9.722 11.871 2.219) 15.504 6.161 ( -1.476 1.268 3.961) 4.413 6.485 ( 1.543 5.235 -1.248) 5.598 6.718 ( 4.166 3.059 -3.057) 6.005 7.079 ( 0.986 -0.744 -2.494) 2.783 7.392 ( -8.293 -9.006 -2.077) 12.417 7.996 ( -4.961 -6.348 8.947) 12.040 9.123 ( -12.941 -7.776 -17.467) 23.088 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 4.588 1.726 -1.330) 5.079 2.421 ( 5.050 11.142 0.140) 12.234 3.824 ( 13.733 5.305 0.513) 14.731 5.158 ( 2.753 7.237 -0.972) 7.804 5.993 ( -0.183 6.417 -0.870) 6.478 6.164 ( -3.232 5.010 3.780) 7.059 6.564 ( 3.682 3.951 -2.918) 6.138 6.806 ( 4.341 1.312 -3.087) 5.486 7.064 ( 0.493 0.448 0.264) 0.716 7.218 ( -4.155 -4.132 -1.888) 6.157 7.882 ( -6.181 -6.160 7.395) 11.439 8.823 ( -5.473 -6.118 -14.638) 16.782 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 1.655 0.179 -1.495) 2.237 2.569 ( 0.683 8.617 0.154) 8.646 4.048 ( 8.674 0.145 0.013) 8.675 5.247 ( -0.933 8.531 -0.820) 8.621 5.948 ( -6.317 1.670 -1.577) 6.721 6.181 ( -3.797 7.669 2.470) 8.906 6.674 ( 5.694 2.545 -2.897) 6.877 6.855 ( 3.367 -2.963 -3.062) 5.430 7.134 ( -3.049 3.948 -4.044) 6.422 7.140 ( 3.999 0.985 6.014) 7.289 7.693 ( -8.879 -6.820 1.777) 11.337 8.716 ( 2.112 -4.114 -5.810) 7.426 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.591 -0.294 -0.845) 1.072 2.619 ( -3.589 6.244 0.547) 7.223 4.116 ( 2.170 -4.383 -2.798) 5.635 5.285 ( -4.725 8.636 -0.155) 9.845 5.895 ( -0.947 3.062 1.258) 3.443 6.189 ( -5.322 8.041 1.021) 9.697 6.748 ( 1.518 -1.055 -1.370) 2.301 6.865 ( 3.982 -4.497 0.136) 6.009 7.107 ( -2.583 3.030 -2.623) 4.767 7.218 ( -2.432 2.531 -0.002) 3.510 7.562 ( 1.419 -1.794 3.597) 4.263 8.724 ( 3.959 -3.864 0.553) 5.560 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -0.528 -1.159 -0.287) 1.306 2.572 ( -8.040 3.972 0.821) 9.005 4.023 ( -4.294 -7.188 -4.390) 9.454 5.256 ( -6.284 4.784 0.741) 7.933 5.976 ( 1.944 6.402 3.254) 7.440 6.164 ( -5.893 6.626 -0.463) 8.880 6.693 ( -4.178 -3.200 0.754) 5.316 6.886 ( 0.527 -2.932 2.353) 3.797 7.061 ( -0.764 -2.050 -7.408) 7.725 7.184 ( -2.235 4.008 4.171) 6.202 7.684 ( 7.528 2.270 0.028) 7.863 8.790 ( 6.523 -2.293 7.557) 10.243 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -3.787 -3.328 -0.592) 5.076 2.423 ( -12.829 1.511 0.516) 12.928 3.805 ( -10.165 -8.585 -2.737) 13.584 5.168 ( -7.631 0.722 0.884) 7.715 6.013 ( -7.112 2.936 2.547) 8.105 6.130 ( -3.648 4.991 -2.340) 6.610 6.584 ( -5.497 -1.055 0.682) 5.639 6.835 ( -3.432 -2.520 1.915) 4.669 7.043 ( 2.452 0.780 -2.924) 3.895 7.249 ( 4.127 1.408 3.043) 5.317 7.808 ( 6.403 1.166 -5.880) 8.771 8.986 ( 11.600 1.938 14.677) 18.808 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -9.140 -6.008 -1.752) 11.077 2.160 ( -17.767 -1.198 -0.544) 17.816 3.475 ( -17.611 -9.380 0.049) 19.954 5.015 ( -9.418 -1.633 0.192) 9.560 5.796 ( -17.046 -2.761 0.104) 17.269 6.120 ( -0.941 2.434 -3.455) 4.330 6.488 ( -5.885 1.209 -0.652) 6.044 6.748 ( -4.445 -2.166 2.458) 5.521 7.092 ( 0.588 -0.440 -0.151) 0.750 7.404 ( 12.374 3.174 -0.096) 12.775 7.918 ( 7.767 1.637 -5.171) 9.473 9.306 ( 13.910 4.753 15.464) 21.336 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -14.859 -7.547 -2.933) 16.922 1.788 ( -21.966 -3.190 -1.697) 22.262 2.996 ( -27.526 -9.464 1.277) 29.136 4.833 ( -9.001 -1.914 -0.110) 9.203 5.432 ( -19.157 -4.356 -1.214) 19.683 6.104 ( -0.326 -1.303 -3.881) 4.106 6.399 ( -6.291 2.508 -1.796) 7.007 6.673 ( -2.870 -1.239 2.426) 3.957 7.032 ( -4.282 -3.255 -0.176) 5.382 7.720 ( 17.579 4.928 1.352) 18.307 8.071 ( 9.242 2.416 -4.404) 10.519 9.639 ( 12.664 4.771 11.341) 17.657 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( -19.636 -6.416 -3.008) 20.876 1.344 ( -24.501 -3.126 -1.829) 24.768 2.351 ( -37.278 -7.372 0.738) 38.007 4.681 ( -6.646 -1.029 0.042) 6.725 5.076 ( -16.654 -3.046 -0.811) 16.950 6.057 ( -0.931 -2.701 -2.994) 4.139 6.299 ( -6.747 1.412 -1.595) 7.075 6.649 ( -0.165 0.022 1.045) 1.059 6.910 ( -5.996 -2.228 0.360) 6.407 8.076 ( 16.676 2.851 6.520) 18.131 8.235 ( 9.177 2.041 -7.677) 12.137 9.903 ( 9.639 2.947 5.416) 11.442 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -22.707 -0.000 0.000) 22.707 0.887 ( -25.484 -0.000 0.000) 25.484 1.601 ( -43.884 -0.000 0.000) 43.884 4.585 ( -3.993 -0.000 0.000) 3.993 4.808 ( -12.220 -0.000 0.000) 12.220 6.016 ( -1.122 -0.000 0.000) 1.122 6.193 ( -5.487 -0.000 0.000) 5.487 6.661 ( 0.997 0.000 -0.000) 0.997 6.798 ( -5.589 -0.000 0.000) 5.589 8.351 ( 5.951 0.000 -0.000) 5.951 8.385 ( 13.979 0.000 -0.000) 13.979 10.065 ( 6.230 0.000 -0.000) 6.230 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 23.329 2.508) 23.464 0.990 ( 0.000 20.216 5.656) 20.993 1.921 ( 0.000 40.339 7.556) 41.040 4.629 ( -0.000 4.590 2.145) 5.066 4.874 ( 0.000 14.156 0.467) 14.164 5.942 ( 0.000 1.448 -8.082) 8.210 6.175 ( 0.000 3.421 0.704) 3.493 6.695 ( -0.000 -0.247 3.015) 3.025 6.805 ( 0.000 5.987 -3.352) 6.861 8.050 ( 0.000 -9.272 -16.969) 19.337 8.524 ( -0.000 -11.835 13.030) 17.603 10.120 ( -0.000 -7.365 4.634) 8.702 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 6.714 16.700 5.786) 18.906 1.332 ( 11.365 21.357 1.381) 24.232 2.407 ( 9.047 34.250 3.364) 35.584 4.702 ( 1.726 6.226 1.889) 6.732 5.090 ( 6.439 16.443 2.132) 17.787 5.985 ( 5.613 0.720 -4.250) 7.077 6.251 ( 4.259 3.663 -1.099) 5.724 6.695 ( -1.382 0.787 2.579) 3.030 6.865 ( 1.757 5.453 -3.987) 6.980 7.871 ( -2.223 -11.404 -13.578) 17.870 8.403 ( -4.211 -13.776 11.671) 18.540 9.967 ( -9.810 -6.923 -0.307) 12.010 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.245 11.659 3.483) 15.282 1.761 ( 13.219 19.359 1.483) 23.489 2.898 ( 12.620 24.535 -0.488) 27.594 4.831 ( 4.135 8.037 1.497) 9.161 5.422 ( 10.381 17.572 3.282) 20.672 6.088 ( 5.207 0.900 1.092) 5.396 6.373 ( 6.222 4.067 -3.741) 8.322 6.688 ( -1.891 2.744 1.112) 3.513 6.940 ( 3.723 2.673 -4.178) 6.202 7.649 ( -4.667 -12.725 -8.834) 16.178 8.210 ( -6.386 -12.793 9.276) 17.043 9.660 ( -15.706 -7.116 -6.507) 18.429 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 8.315 6.901 0.694) 10.828 2.159 ( 10.490 17.705 0.752) 20.593 3.316 ( 13.490 14.581 -1.363) 19.911 5.005 ( 5.199 9.095 0.878) 10.513 5.788 ( 9.895 16.473 2.283) 19.352 6.179 ( 2.603 2.549 3.320) 4.929 6.502 ( 4.083 5.285 -3.812) 7.690 6.708 ( 0.029 5.025 -1.233) 5.174 7.002 ( 4.193 -1.434 -4.567) 6.364 7.402 ( -6.157 -12.047 -4.165) 14.156 8.030 ( -4.480 -9.679 8.262) 13.491 9.257 ( -17.621 -7.852 -11.595) 22.508 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 5.596 2.984 -1.435) 6.502 2.470 ( 5.715 16.046 -0.088) 17.034 3.646 ( 12.854 6.649 -0.196) 14.473 5.184 ( 4.154 9.704 0.048) 10.556 6.061 ( 3.332 12.404 -0.420) 12.851 6.262 ( 0.843 5.635 4.035) 6.982 6.576 ( -0.034 5.528 -4.462) 7.104 6.761 ( 1.221 3.379 -3.277) 4.863 7.023 ( 2.955 -2.979 -2.567) 4.919 7.214 ( -2.324 -6.085 -2.114) 6.848 7.922 ( -2.807 -7.663 8.848) 12.037 8.854 ( -13.053 -7.793 -13.002) 20.004 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 2.969 0.657 -2.242) 3.778 2.675 ( 0.773 14.178 -0.017) 14.199 3.883 ( 10.081 0.582 -0.100) 10.099 5.344 ( 2.099 11.830 -0.253) 12.017 6.108 ( -7.687 5.912 -2.284) 9.963 6.346 ( -1.754 9.757 4.002) 10.691 6.609 ( 2.324 3.086 -5.192) 6.471 6.779 ( 0.821 -1.032 -4.282) 4.480 7.069 ( 5.911 -2.240 4.407) 7.706 7.186 ( 0.280 3.982 -4.294) 5.863 7.783 ( -8.044 -7.978 4.839) 12.320 8.617 ( -1.222 -6.586 -7.137) 9.788 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 1.498 -0.182 -1.840) 2.379 2.782 ( -3.810 12.189 0.868) 12.800 3.994 ( 5.219 -4.186 -2.276) 7.067 5.477 ( -2.822 14.106 -0.676) 14.402 5.992 ( -6.745 3.387 -0.354) 7.556 6.408 ( -5.998 12.259 2.284) 13.837 6.675 ( 4.447 -0.125 -3.413) 5.607 6.760 ( 2.477 -3.726 -1.344) 4.672 7.154 ( -0.024 0.419 0.491) 0.646 7.257 ( 3.301 6.677 -1.900) 7.687 7.572 ( -6.373 -6.685 3.691) 9.946 8.585 ( 5.133 -6.625 -1.049) 8.447 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 0.458 -0.673 -1.084) 1.355 2.793 ( -8.391 9.986 1.794) 13.166 3.967 ( -0.013 -7.133 -4.542) 8.457 5.471 ( -10.228 8.886 -0.936) 13.581 6.027 ( 2.422 8.868 2.297) 9.476 6.384 ( -9.083 8.616 0.175) 12.521 6.706 ( 0.426 -0.427 -0.117) 0.614 6.813 ( 5.581 -2.057 2.633) 6.505 7.071 ( -5.910 -1.877 -5.591) 8.349 7.298 ( -4.198 3.850 0.515) 5.719 7.574 ( 6.957 -0.757 3.851) 7.988 8.635 ( 8.250 -6.139 3.300) 10.800 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -1.914 -1.798 -0.834) 2.756 2.699 ( -13.249 7.013 1.899) 15.111 3.834 ( -4.501 -7.886 -4.257) 10.029 5.346 ( -10.422 3.449 0.113) 10.978 6.165 ( -1.511 9.690 2.071) 10.023 6.292 ( -8.474 4.549 -0.360) 9.624 6.682 ( -4.458 2.476 1.681) 5.369 6.871 ( -1.108 -0.437 2.917) 3.151 6.966 ( 2.112 -2.614 -4.442) 5.570 7.259 ( -2.715 0.372 1.802) 3.280 7.686 ( 5.954 -0.724 -2.929) 6.674 8.805 ( 14.024 -2.151 8.846) 16.720 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -6.405 -3.117 -1.197) 7.223 2.485 ( -18.039 3.203 0.917) 18.344 3.629 ( -9.815 -6.619 -1.726) 11.963 5.184 ( -10.694 0.438 0.130) 10.703 6.090 ( -15.387 2.671 1.738) 15.714 6.198 ( -5.688 2.231 -1.276) 6.242 6.623 ( -6.823 4.233 -0.216) 8.033 6.820 ( -4.346 0.424 1.636) 4.663 7.037 ( 5.667 -0.710 -0.982) 5.795 7.252 ( 4.738 -1.970 0.248) 5.137 7.776 ( 7.369 -0.182 -3.630) 8.217 9.116 ( 17.111 1.439 9.920) 19.831 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -11.956 -3.044 -1.320) 12.408 2.155 ( -21.908 0.246 -0.102) 21.910 3.333 ( -18.441 -4.059 0.149) 18.883 4.994 ( -10.889 -0.503 -0.083) 10.901 5.765 ( -21.712 -0.683 0.260) 21.724 6.125 ( -3.643 0.185 -1.262) 3.860 6.536 ( -6.870 2.757 -0.989) 7.469 6.739 ( -5.228 -0.262 1.381) 5.413 7.051 ( -1.082 -2.360 -0.328) 2.616 7.451 ( 16.518 1.521 -0.334) 16.591 7.916 ( 9.248 0.572 -1.569) 9.398 9.457 ( 16.113 1.901 6.013) 17.303 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -16.874 -0.000 0.000) 16.874 1.752 ( -24.199 -0.000 0.000) 24.199 2.901 ( -29.197 -0.000 0.000) 29.197 4.814 ( -9.286 -0.000 0.000) 9.286 5.385 ( -20.698 -0.000 0.000) 20.698 6.069 ( -2.419 -0.000 0.000) 2.419 6.428 ( -7.119 -0.000 0.000) 7.119 6.671 ( -2.443 -0.000 0.000) 2.443 6.989 ( -4.268 -0.000 0.000) 4.268 7.777 ( 19.257 0.000 -0.000) 19.257 8.079 ( 9.248 0.000 -0.000) 9.248 9.733 ( 13.077 0.000 -0.000) 13.077 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 16.460 3.168) 16.762 1.450 ( 0.000 22.668 1.848) 22.743 2.685 ( 0.000 32.117 1.780) 32.166 4.758 ( -0.000 6.678 1.983) 6.967 5.225 ( 0.000 19.557 3.235) 19.823 5.920 ( 0.000 2.190 -6.865) 7.206 6.255 ( 0.000 3.925 0.627) 3.975 6.723 ( -0.000 1.077 2.205) 2.454 6.892 ( 0.000 5.264 -5.098) 7.328 7.720 ( 0.000 -12.921 -11.393) 17.226 8.330 ( -0.000 -15.334 9.365) 17.968 9.982 ( -0.000 -8.306 0.241) 8.310 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 3.498 12.973 2.245) 13.623 1.765 ( 9.215 20.863 1.199) 22.839 3.012 ( 3.866 25.043 -1.224) 25.369 4.858 ( 2.619 7.874 1.531) 8.438 5.489 ( 5.133 20.790 4.051) 21.794 5.991 ( 6.888 2.854 -2.830) 7.975 6.317 ( 2.754 3.809 -1.218) 4.856 6.738 ( -0.614 1.954 1.167) 2.357 6.921 ( 0.535 3.305 -5.960) 6.836 7.538 ( -1.644 -13.440 -8.030) 15.742 8.181 ( -2.864 -14.650 7.044) 16.506 9.802 ( -10.258 -8.604 -2.703) 13.659 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 5.159 8.311 0.287) 9.787 2.154 ( 11.454 18.865 0.833) 22.085 3.297 ( 6.093 16.207 -2.306) 17.467 5.014 ( 4.834 8.929 1.082) 10.211 5.817 ( 7.681 18.733 2.346) 20.382 6.154 ( 6.174 4.713 2.628) 8.200 6.426 ( 6.577 4.376 -3.966) 8.840 6.760 ( 0.214 3.719 -0.185) 3.730 6.922 ( 0.580 -0.799 -6.885) 6.955 7.342 ( -3.284 -12.062 -4.606) 13.322 8.016 ( -3.163 -11.610 6.169) 13.522 9.455 ( -17.218 -8.768 -6.378) 20.347 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 4.731 4.099 -1.803) 6.514 2.517 ( 8.824 17.626 0.102) 19.711 3.534 ( 8.142 8.115 -0.886) 11.530 5.200 ( 5.438 9.644 0.552) 11.085 6.113 ( 6.138 14.252 -0.371) 15.522 6.292 ( 2.962 5.419 3.619) 7.157 6.575 ( 4.868 5.573 -4.488) 8.655 6.817 ( -2.019 5.894 -3.825) 7.310 6.890 ( 5.148 -5.005 -4.736) 8.602 7.175 ( -2.316 -7.204 -1.871) 7.796 7.902 ( -1.322 -8.484 7.360) 11.310 9.018 ( -18.858 -8.667 -8.679) 22.496 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 3.439 1.286 -2.834) 4.639 2.797 ( 3.717 16.686 -0.317) 17.097 3.730 ( 8.633 1.614 0.479) 8.795 5.398 ( 5.238 11.529 0.283) 12.666 6.268 ( -2.045 8.427 -3.071) 9.200 6.411 ( 3.355 5.452 3.017) 7.077 6.625 ( -1.643 2.980 -4.808) 5.890 6.781 ( -0.183 1.020 -4.912) 5.020 6.951 ( 3.452 -1.263 0.403) 3.698 7.166 ( 4.552 2.891 -2.703) 6.032 7.824 ( -3.137 -7.906 7.026) 11.032 8.627 ( -11.681 -7.599 -6.897) 15.549 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 2.348 0.080 -2.529) 3.452 2.976 ( -1.590 15.428 0.507) 15.518 3.851 ( 6.096 -3.431 -0.561) 7.017 5.614 ( 3.992 14.878 -0.004) 15.404 6.184 ( -10.889 3.479 -2.824) 11.775 6.515 ( 4.340 0.495 -1.020) 4.486 6.656 ( 1.359 6.416 1.813) 6.804 6.733 ( -4.880 1.305 -4.543) 6.794 7.064 ( 9.585 -0.595 2.386) 9.896 7.271 ( 1.751 6.920 -4.816) 8.611 7.654 ( -8.530 -7.707 4.014) 12.176 8.450 ( 0.503 -7.080 -1.416) 7.238 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 1.469 -0.259 -1.553) 2.154 3.054 ( -6.753 13.516 2.046) 15.247 3.863 ( 2.171 -6.772 -3.025) 7.728 5.747 ( -8.566 12.236 -1.744) 15.038 6.085 ( -0.307 6.495 0.468) 6.519 6.548 ( -1.517 -0.996 -2.270) 2.906 6.661 ( 1.670 -3.373 -1.501) 4.052 6.776 ( 0.908 9.771 4.279) 10.705 7.156 ( -3.852 0.875 -1.942) 4.402 7.348 ( 4.157 3.670 -3.294) 6.450 7.499 ( -2.052 -3.835 5.362) 6.904 8.440 ( 6.254 -7.564 1.091) 9.875 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -0.163 -0.606 -0.782) 1.003 3.017 ( -12.342 9.838 2.650) 16.004 3.786 ( -0.811 -7.216 -4.005) 8.293 5.595 ( -13.915 4.098 -0.762) 14.526 6.259 ( 4.153 12.166 0.770) 12.878 6.447 ( -6.648 -0.235 -1.675) 6.860 6.696 ( 5.402 -4.775 1.390) 7.343 6.897 ( 0.518 7.874 4.130) 8.906 7.014 ( -9.470 1.024 -1.954) 9.723 7.331 ( -5.205 -1.070 -1.695) 5.578 7.564 ( 6.505 -1.730 0.769) 6.775 8.548 ( 13.354 -4.625 3.586) 14.580 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -3.378 -0.884 -0.458) 3.521 2.836 ( -17.379 4.114 1.309) 17.907 3.680 ( -3.625 -4.079 -2.003) 5.813 5.391 ( -12.341 1.063 -0.038) 12.386 6.319 ( -6.836 1.306 -1.231) 7.068 6.346 ( -7.820 4.226 1.493) 9.013 6.763 ( 0.700 1.683 1.378) 2.285 6.869 ( -0.152 -1.504 -1.215) 1.939 6.985 ( -4.234 7.003 2.732) 8.627 7.199 ( -2.600 -6.180 -1.783) 6.938 7.645 ( 5.805 -0.819 -1.525) 6.057 8.827 ( 19.033 -0.693 3.966) 19.454 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -7.779 -0.000 0.000) 7.779 2.527 ( -20.413 -0.000 0.000) 20.413 3.550 ( -9.381 -0.000 0.000) 9.381 5.188 ( -11.675 -0.000 0.000) 11.675 6.126 ( -18.710 -0.000 0.000) 18.710 6.210 ( -5.865 -0.000 0.000) 5.865 6.673 ( -7.493 -0.000 0.000) 7.493 6.869 ( -9.145 -0.000 0.000) 9.145 6.997 ( 6.726 0.000 -0.000) 6.726 7.222 ( 8.904 0.000 -0.000) 8.904 7.761 ( 8.240 0.000 -0.000) 8.240 9.170 ( 19.036 0.000 -0.000) 19.036 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.000 11.372 -0.005) 11.372 1.893 ( 0.000 20.145 1.590) 20.208 3.207 ( 0.000 20.654 -3.119) 20.888 4.915 ( 0.000 7.817 0.681) 7.846 5.684 ( 0.000 22.090 5.811) 22.842 5.942 ( 0.000 3.740 -2.444) 4.467 6.334 ( 0.000 3.938 -0.592) 3.982 6.765 ( 0.000 2.013 0.170) 2.020 6.919 ( 0.000 1.273 -7.195) 7.307 7.396 ( 0.000 -12.100 -5.624) 13.343 8.082 ( -0.000 -13.828 4.856) 14.656 9.790 ( -0.000 -10.070 -2.790) 10.449 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.737 7.880 -1.353) 8.182 2.165 ( 8.134 17.886 1.205) 19.685 3.381 ( 1.393 14.186 -3.885) 14.774 5.026 ( 3.501 8.016 0.085) 8.748 5.919 ( 2.148 16.300 3.203) 16.750 6.083 ( 8.910 7.785 2.551) 12.104 6.384 ( 2.015 4.087 -1.777) 4.891 6.778 ( -0.280 1.368 -1.046) 1.744 6.887 ( 0.080 -2.009 -8.205) 8.448 7.267 ( -1.641 -7.374 -3.076) 8.156 7.960 ( -1.340 -10.664 4.113) 11.508 9.582 ( -10.107 -10.804 -4.592) 15.491 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 2.733 4.140 -2.690) 5.643 2.511 ( 11.173 16.058 0.617) 19.572 3.516 ( 3.067 7.839 -2.384) 8.748 5.190 ( 5.970 8.232 -0.117) 10.169 6.128 ( 5.977 10.029 0.791) 11.702 6.300 ( 4.350 5.842 2.868) 7.827 6.509 ( 7.485 6.756 -1.922) 10.265 6.758 ( 0.770 -6.017 -6.269) 8.724 6.858 ( 1.397 2.859 -4.242) 5.302 7.172 ( -3.726 -1.032 -1.079) 4.014 7.867 ( -1.125 -6.783 5.139) 8.584 9.215 ( -16.798 -10.764 -6.151) 20.878 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 2.930 1.455 -3.375) 4.701 2.849 ( 9.173 15.332 -0.256) 17.869 3.631 ( 4.970 2.137 0.106) 5.411 5.393 ( 7.442 9.474 0.026) 12.048 6.287 ( 4.154 2.653 -3.218) 5.887 6.417 ( 3.278 4.936 3.161) 6.716 6.653 ( -0.250 -2.505 -5.022) 5.618 6.685 ( 4.643 1.235 -3.873) 6.171 6.983 ( 5.043 8.720 -2.771) 10.447 7.111 ( -1.919 1.410 0.113) 2.384 7.813 ( -1.547 -5.062 6.007) 8.006 8.785 ( -17.248 -9.346 -5.676) 20.422 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.763 0.208 -2.887) 4.002 3.116 ( 4.032 15.085 -0.472) 15.622 3.720 ( 5.107 -3.072 1.009) 6.045 5.640 ( 8.477 12.346 0.276) 14.979 6.315 ( -0.105 -0.872 -4.122) 4.214 6.442 ( -1.621 -2.580 -3.095) 4.343 6.680 ( 3.243 2.494 6.197) 7.426 6.768 ( 4.309 2.142 -4.528) 6.608 7.006 ( -4.613 6.425 -2.967) 8.448 7.250 ( 8.074 6.405 -2.411) 10.584 7.715 ( -5.745 -7.116 4.602) 10.239 8.453 ( -9.183 -6.432 -2.021) 11.392 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.383 -0.083 -1.684) 2.919 3.282 ( -2.023 14.303 0.937) 14.475 3.740 ( 3.048 -7.274 -0.725) 7.921 5.914 ( 5.644 14.738 -0.391) 15.787 6.207 ( -8.933 0.658 -1.980) 9.173 6.425 ( 6.041 -6.431 -1.216) 8.907 6.664 ( -4.901 -1.478 -1.619) 5.368 6.897 ( 1.466 8.140 4.534) 9.432 7.069 ( 9.599 0.746 -2.625) 9.980 7.372 ( -1.927 6.373 -4.754) 8.181 7.550 ( -4.885 -5.667 4.410) 8.685 8.317 ( -0.352 -5.657 0.608) 5.700 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 1.427 -0.116 -0.604) 1.554 3.317 ( -9.430 9.676 2.164) 13.684 3.695 ( 1.873 -6.932 -2.404) 7.573 5.890 ( -15.684 3.273 -0.933) 16.049 6.271 ( 7.712 10.872 -0.289) 13.333 6.475 ( 5.910 -6.027 0.466) 8.453 6.553 ( -2.837 -3.761 -1.416) 4.919 6.975 ( -0.817 4.424 1.902) 4.885 7.206 ( -3.507 5.046 2.340) 6.575 7.330 ( 2.496 -2.713 -4.481) 5.803 7.488 ( -1.329 -0.613 2.021) 2.496 8.326 ( 7.219 -3.767 0.859) 8.188 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.523 -0.000 0.000) 0.523 3.149 ( -15.198 -0.000 0.000) 15.198 3.678 ( 0.370 0.000 -0.000) 0.370 5.631 ( -14.811 -0.000 0.000) 14.811 6.430 ( -5.745 -0.000 0.000) 5.745 6.439 ( 1.221 0.000 -0.000) 1.221 6.599 ( 10.847 0.000 -0.000) 10.847 6.953 ( -4.897 -0.000 0.000) 4.897 7.155 ( -3.953 -0.000 0.000) 3.953 7.234 ( -9.072 -0.000 0.000) 9.072 7.545 ( 5.428 0.000 -0.000) 5.428 8.514 ( 16.021 0.000 -0.000) 16.021 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 5.621 -3.027) 6.384 2.262 ( 0.000 15.426 1.430) 15.492 3.477 ( 0.000 9.903 -4.723) 10.972 5.067 ( 0.000 7.155 -0.847) 7.205 6.041 ( -0.000 6.151 2.448) 6.620 6.107 ( -0.000 13.202 4.990) 14.114 6.404 ( 0.000 4.070 -1.404) 4.305 6.795 ( 0.000 1.366 -2.023) 2.441 6.802 ( 0.000 -6.874 -9.098) 11.403 7.245 ( 0.000 1.372 -0.953) 1.670 7.894 ( -0.000 -6.956 3.454) 7.767 9.536 ( 0.000 -12.674 -5.037) 13.638 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.954 2.858 -3.761) 4.819 2.482 ( 8.251 12.805 1.055) 15.269 3.543 ( 0.753 5.544 -3.683) 6.698 5.168 ( 4.304 6.422 -1.072) 7.805 6.135 ( 2.322 5.889 3.121) 7.058 6.271 ( 5.824 4.307 2.356) 7.617 6.468 ( 3.506 5.081 -0.442) 6.189 6.679 ( -1.281 -6.803 -8.691) 11.111 6.816 ( 2.234 0.197 -3.476) 4.137 7.269 ( -2.861 7.211 0.657) 7.785 7.857 ( -0.925 -1.404 4.330) 4.645 9.301 ( -9.151 -13.566 -5.895) 17.393 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 1.919 0.891 -3.672) 4.238 2.788 ( 12.400 11.082 0.347) 16.634 3.593 ( 1.946 1.899 -1.336) 3.030 5.335 ( 7.994 6.454 -0.790) 10.304 6.211 ( 2.879 -1.775 -0.438) 3.411 6.407 ( 4.512 4.248 2.892) 6.838 6.566 ( -0.701 -5.334 -8.177) 9.788 6.636 ( 7.923 5.842 -0.507) 9.857 6.876 ( 6.918 0.314 -2.102) 7.237 7.272 ( -6.106 7.774 0.670) 9.908 7.854 ( -3.077 2.761 4.999) 6.486 8.937 ( -14.205 -12.580 -5.596) 19.783 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 2.611 0.063 -2.697) 3.754 3.107 ( 11.526 10.196 -0.541) 15.398 3.634 ( 2.386 -1.600 0.722) 2.962 5.570 ( 11.276 7.875 -0.125) 13.754 6.212 ( 2.938 -5.582 -2.290) 6.710 6.455 ( -2.237 -2.047 -3.733) 4.809 6.576 ( 7.821 1.376 1.934) 8.173 6.769 ( 1.631 4.276 -1.787) 4.913 7.083 ( 14.386 2.970 -0.995) 14.723 7.214 ( -8.713 6.263 -0.239) 10.733 7.799 ( -7.909 0.089 3.348) 8.589 8.575 ( -12.447 -7.968 -2.873) 15.056 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 2.855 -0.058 -1.225) 3.107 3.370 ( 7.542 9.783 -0.651) 12.370 3.632 ( 0.621 -5.591 0.950) 5.705 5.871 ( 13.016 9.266 0.236) 15.980 6.203 ( 3.698 -6.449 -1.366) 7.559 6.370 ( -4.242 -1.295 -2.000) 4.866 6.758 ( 0.614 -0.000 6.486) 6.515 6.782 ( 6.859 2.057 -4.812) 8.628 7.107 ( -7.867 4.150 -1.867) 9.088 7.350 ( 11.049 4.074 -1.523) 11.874 7.620 ( -9.761 -4.093 2.045) 10.780 8.350 ( -7.251 -2.779 -0.091) 7.766 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.489 0.000 -0.000) 2.489 3.527 ( -6.266 -0.000 0.000) 6.266 3.568 ( 6.292 0.000 -0.000) 6.292 6.145 ( -8.738 -0.000 0.000) 8.738 6.169 ( 12.606 0.000 -0.000) 12.606 6.309 ( 2.398 0.000 -0.000) 2.398 6.640 ( -7.721 -0.000 0.000) 7.721 7.033 ( -2.950 -0.000 0.000) 2.950 7.035 ( 15.824 0.000 -0.000) 15.824 7.432 ( -9.235 -0.000 0.000) 9.235 7.500 ( 2.722 0.000 -0.000) 2.722 8.257 ( -1.345 -0.000 0.000) 1.345 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 1.094 -4.123) 4.265 2.520 ( 0.000 9.384 1.045) 9.442 3.565 ( 0.000 2.775 -3.511) 4.475 5.179 ( 0.000 4.775 -1.240) 4.933 6.211 ( -0.000 7.641 5.005) 9.134 6.217 ( -0.000 -2.309 1.118) 2.565 6.478 ( 0.000 3.308 -0.551) 3.353 6.594 ( 0.000 -5.395 -8.726) 10.259 6.781 ( 0.000 -0.822 -3.550) 3.644 7.376 ( 0.000 7.000 1.425) 7.144 7.915 ( -0.000 7.752 5.358) 9.423 9.210 ( 0.000 -15.739 -6.444) 17.007 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.945 0.044 -3.302) 3.435 2.683 ( 9.021 6.612 0.617) 11.202 3.578 ( 0.843 0.866 -1.994) 2.332 5.261 ( 5.234 3.591 -0.952) 6.419 6.171 ( -0.596 -2.956 0.607) 3.076 6.370 ( 5.643 4.940 3.457) 8.258 6.508 ( -0.115 -2.458 -6.972) 7.393 6.554 ( 4.962 2.413 0.548) 5.545 6.776 ( 2.720 -1.819 -3.388) 4.710 7.409 ( -2.515 3.544 0.954) 4.449 8.021 ( -3.850 13.427 5.914) 15.169 8.960 ( -7.077 -15.712 -6.261) 18.335 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 2.007 -0.125 -1.717) 2.644 2.945 ( 14.045 4.109 0.073) 14.634 3.598 ( 1.356 -0.201 -0.347) 1.414 5.426 ( 10.448 2.778 -0.417) 10.819 6.138 ( 0.128 -2.886 -0.449) 2.924 6.452 ( -1.195 -1.499 -2.896) 3.473 6.494 ( 4.573 1.704 1.026) 4.987 6.741 ( 6.823 4.684 0.175) 8.278 6.840 ( 11.313 -2.448 -1.181) 11.635 7.376 ( -4.758 1.978 0.336) 5.164 8.030 ( -11.372 8.297 3.344) 14.469 8.662 ( -8.737 -9.536 -3.488) 13.396 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 2.715 0.000 -0.000) 2.715 3.215 ( 13.837 0.000 -0.000) 13.837 3.611 ( 0.349 0.000 -0.000) 0.349 5.663 ( 14.607 0.000 -0.000) 14.607 6.127 ( 1.043 0.000 -0.000) 1.043 6.412 ( -2.052 -0.000 0.000) 2.052 6.606 ( 7.776 0.000 -0.000) 7.776 6.808 ( 0.657 0.000 -0.000) 0.657 7.109 ( 16.957 0.000 -0.000) 16.957 7.279 ( -8.110 -0.000 0.000) 8.110 7.827 ( -14.786 -0.000 0.000) 14.786 8.472 ( -8.125 -0.000 0.000) 8.125 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 -0.271 -1.953) 1.971 2.649 ( 0.000 3.104 0.386) 3.127 3.569 ( 0.000 0.130 -1.237) 1.244 5.237 ( 0.000 1.640 -0.522) 1.721 6.151 ( -0.000 -2.622 -0.070) 2.623 6.381 ( -0.000 4.775 3.491) 5.915 6.473 ( 0.000 -1.070 -4.186) 4.321 6.526 ( -0.000 0.588 0.450) 0.741 6.720 ( 0.000 -1.983 -2.798) 3.430 7.451 ( -0.000 0.804 0.500) 0.947 8.241 ( -0.000 15.906 5.914) 16.970 8.834 ( 0.000 -15.436 -5.912) 16.529 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 1.085 0.000 -0.000) 1.085 2.751 ( 9.476 0.000 -0.000) 9.476 3.575 ( 0.936 0.000 -0.000) 0.936 5.294 ( 5.758 0.000 -0.000) 5.758 6.131 ( -0.583 -0.000 0.000) 0.583 6.445 ( 2.852 0.000 -0.000) 2.852 6.454 ( -0.611 -0.000 0.000) 0.611 6.600 ( 8.552 0.000 -0.000) 8.552 6.725 ( 2.337 0.000 -0.000) 2.337 7.439 ( -1.917 -0.000 0.000) 1.917 8.283 ( -8.205 -0.000 0.000) 8.205 8.692 ( -3.646 -0.000 0.000) 3.646 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -0.000 0.000 22.238) 22.238 0.249 ( -0.000 0.000 22.238) 22.238 0.435 ( -0.000 0.000 39.117) 39.117 4.526 ( -0.000 0.000 1.138) 1.138 4.526 ( -0.000 0.000 1.138) 1.138 5.962 ( 0.000 -0.000 -3.613) 3.613 5.962 ( 0.000 -0.000 -3.613) 3.613 6.701 ( -0.000 0.000 2.548) 2.548 6.701 ( -0.000 0.000 2.548) 2.548 8.141 ( 0.000 -0.000 -12.802) 12.802 8.532 ( -0.000 0.000 10.248) 10.248 10.712 ( -0.000 0.000 0.242) 0.242 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 18.072 10.434 11.450) 23.803 0.631 ( 18.026 10.407 13.596) 24.861 1.050 ( 32.655 18.853 16.419) 41.126 4.543 ( 1.553 0.897 0.887) 2.001 4.659 ( 7.958 4.595 0.256) 9.193 6.011 ( 3.506 2.024 -1.932) 4.486 6.115 ( 6.942 4.008 -5.016) 9.457 6.693 ( -1.382 -0.798 2.744) 3.175 6.703 ( 1.957 1.130 -0.598) 2.337 8.172 ( -0.752 -0.434 -21.189) 21.206 8.673 ( 0.516 0.298 8.388) 8.409 10.258 ( -17.544 -10.129 12.899) 24.016 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 17.990 10.387 6.551) 21.782 1.106 ( 19.148 11.055 8.985) 23.866 1.867 ( 33.535 19.361 5.664) 39.135 4.609 ( 3.961 2.287 0.812) 4.645 4.905 ( 12.761 7.367 2.973) 15.032 6.099 ( 4.185 2.416 -0.348) 4.845 6.236 ( 4.377 2.527 0.771) 5.112 6.659 ( -2.174 -1.255 1.814) 3.097 6.794 ( 6.319 3.648 -3.546) 8.112 8.022 ( -5.582 -3.223 -16.672) 17.874 8.591 ( -10.065 -5.811 14.013) 18.206 9.940 ( -13.295 -7.676 -2.979) 15.638 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 15.781 9.111 2.645) 18.413 1.562 ( 17.810 10.283 5.668) 21.332 2.606 ( 29.309 16.921 0.482) 33.846 4.732 ( 6.383 3.685 0.736) 7.407 5.252 ( 15.499 8.948 5.194) 18.635 6.179 ( 1.985 1.146 1.772) 2.897 6.326 ( 3.256 1.880 1.180) 3.940 6.624 ( -0.483 -0.279 -0.678) 0.877 6.946 ( 7.263 4.193 -3.491) 9.084 7.804 ( -8.916 -5.147 -11.196) 15.209 8.363 ( -12.940 -7.471 13.425) 20.087 9.596 ( -14.219 -8.209 -12.703) 20.759 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 11.578 6.684 -0.391) 13.374 1.953 ( 14.602 8.431 2.983) 17.123 3.209 ( 23.217 13.404 -1.391) 26.844 4.896 ( 7.352 4.245 0.150) 8.491 5.623 ( 14.172 8.182 5.398) 17.231 6.188 ( -1.924 -1.111 3.855) 4.449 6.403 ( 3.555 2.053 -0.659) 4.158 6.653 ( 3.604 2.081 -3.115) 5.198 7.061 ( 2.993 1.728 -3.410) 4.855 7.539 ( -10.941 -6.317 -4.896) 13.550 8.149 ( -8.851 -5.110 11.290) 15.229 9.205 ( -14.068 -8.122 -18.549) 24.656 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 6.482 3.742 -2.266) 7.820 2.251 ( 10.493 6.058 1.331) 12.189 3.667 ( 16.988 9.808 -1.122) 19.649 5.050 ( 5.714 3.299 -0.966) 6.668 5.894 ( 6.909 3.989 2.886) 8.484 6.147 ( -2.366 -1.366 4.429) 5.204 6.486 ( 4.283 2.473 -3.012) 5.791 6.749 ( 5.302 3.061 -3.348) 6.978 7.056 ( -1.104 -0.638 -3.297) 3.535 7.308 ( -7.489 -4.324 -1.109) 8.718 8.021 ( -7.189 -4.151 10.267) 13.203 8.862 ( -8.400 -4.850 -18.483) 20.874 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 2.580 1.490 -2.719) 4.034 2.447 ( 6.277 3.624 0.780) 7.290 3.981 ( 10.592 6.115 -1.630) 12.339 5.144 ( 2.905 1.677 -1.366) 3.622 5.940 ( -2.382 -1.375 0.017) 2.750 6.123 ( -1.062 -0.613 4.002) 4.186 6.594 ( 6.301 3.638 -4.195) 8.399 6.854 ( 4.506 2.602 -2.595) 5.815 7.044 ( 0.932 0.538 -4.889) 5.006 7.192 ( -2.650 -1.530 4.436) 5.389 7.836 ( -10.884 -6.284 4.288) 13.280 8.724 ( 0.254 0.147 -9.289) 9.293 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.958 0.553 -2.150) 2.418 2.546 ( 2.055 1.186 0.816) 2.509 4.130 ( 3.177 1.834 -4.696) 5.959 5.185 ( 1.207 0.697 -0.332) 1.433 5.878 ( -1.433 -0.828 1.303) 2.106 6.117 ( -0.850 -0.491 2.823) 2.988 6.719 ( 4.896 2.827 -3.623) 6.715 6.925 ( 2.099 1.212 -1.829) 3.037 7.027 ( -0.113 -0.065 -3.942) 3.944 7.206 ( -0.022 -0.013 2.703) 2.704 7.632 ( -5.814 -3.357 4.962) 8.348 8.746 ( 2.508 1.448 -1.827) 3.424 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.291 0.168 -1.370) 1.410 2.547 ( -2.282 -1.317 0.891) 2.781 4.099 ( -3.628 -2.094 -7.120) 8.261 5.201 ( -0.061 -0.035 1.014) 1.016 5.912 ( 3.140 1.813 4.024) 5.416 6.098 ( -1.439 -0.831 1.131) 2.010 6.747 ( -2.214 -1.278 -0.969) 2.734 6.934 ( -0.809 -0.467 -0.972) 1.348 7.039 ( 1.603 0.926 -6.291) 6.558 7.157 ( -2.057 -1.188 2.618) 3.535 7.650 ( 3.663 2.115 5.384) 6.847 8.818 ( 3.750 2.165 4.395) 6.170 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -2.012 -1.161 -1.165) 2.599 2.445 ( -6.875 -3.969 0.601) 7.962 3.931 ( -8.636 -4.986 -5.624) 11.449 5.176 ( -2.869 -1.656 1.373) 3.586 5.993 ( 0.474 0.274 4.362) 4.396 6.067 ( -0.914 -0.527 -0.965) 1.430 6.637 ( -5.892 -3.402 -0.264) 6.809 6.886 ( -3.035 -1.752 0.307) 3.518 7.014 ( 0.376 0.217 -5.641) 5.658 7.218 ( 4.000 2.310 4.628) 6.539 7.753 ( 4.363 2.519 -2.574) 5.658 8.980 ( 7.953 4.591 12.357) 15.395 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -6.887 -3.976 -1.860) 8.167 2.231 ( -11.847 -6.840 -0.368) 13.684 3.657 ( -14.308 -8.261 -1.974) 16.639 5.069 ( -6.604 -3.813 0.703) 7.658 5.889 ( -10.759 -6.212 2.343) 12.643 6.061 ( 1.084 0.626 -3.084) 3.328 6.509 ( -5.102 -2.946 -0.841) 5.951 6.805 ( -4.147 -2.394 1.660) 5.068 7.061 ( 3.900 2.251 -2.304) 5.058 7.333 ( 6.223 3.593 -0.022) 7.186 7.850 ( 5.784 3.340 -4.462) 8.032 9.261 ( 11.261 6.502 16.192) 20.767 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -12.619 -7.286 -2.782) 14.834 1.897 ( -16.668 -9.623 -1.838) 19.334 3.237 ( -22.387 -12.925 0.930) 25.868 4.897 ( -7.929 -4.578 0.255) 9.159 5.566 ( -16.274 -9.396 0.293) 18.793 6.082 ( 1.580 0.912 -5.212) 5.522 6.390 ( -4.806 -2.775 -1.688) 5.801 6.719 ( -3.689 -2.130 2.571) 4.975 7.077 ( -2.461 -1.421 -1.842) 3.387 7.574 ( 14.905 8.605 -2.535) 17.396 7.994 ( 7.473 4.314 -1.967) 8.850 9.583 ( 11.185 6.458 14.381) 19.330 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -17.154 -9.904 -2.850) 20.011 1.461 ( -20.065 -11.584 -2.880) 23.347 2.627 ( -30.964 -17.877 2.490) 35.840 4.729 ( -6.460 -3.730 0.564) 7.481 5.192 ( -15.432 -8.910 -0.379) 17.824 6.076 ( -0.374 -0.216 -6.685) 6.699 6.278 ( -4.258 -2.459 -2.372) 5.459 6.667 ( -1.474 -0.851 2.681) 3.176 6.969 ( -5.616 -3.242 -1.512) 6.659 7.942 ( 16.907 9.761 -4.429) 20.019 8.165 ( 7.358 4.248 1.501) 8.628 9.861 ( 8.774 5.066 10.051) 14.272 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -19.724 -11.388 -0.852) 22.792 0.971 ( -21.294 -12.294 -2.166) 24.684 1.851 ( -36.963 -21.341 4.631) 42.932 4.611 ( -4.055 -2.341 1.098) 4.809 4.874 ( -11.786 -6.805 -0.355) 13.614 6.023 ( -1.690 -0.976 -6.559) 6.843 6.181 ( -3.307 -1.909 -1.919) 4.273 6.666 ( 0.344 0.199 2.154) 2.191 6.832 ( -5.474 -3.161 -1.153) 6.426 8.239 ( 10.248 5.917 -17.181) 20.862 8.373 ( 9.223 5.325 14.522) 18.008 10.056 ( 5.654 3.264 6.602) 9.285 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -0.000 17.388 11.374) 20.777 0.658 ( -0.000 16.123 17.573) 23.849 1.170 ( -0.000 36.857 18.588) 41.279 4.568 ( -0.000 2.488 2.415) 3.468 4.644 ( 0.000 8.910 -0.427) 8.920 5.899 ( 0.000 -0.312 -7.497) 7.503 6.098 ( 0.000 6.099 -2.294) 6.516 6.707 ( 0.000 1.807 -0.074) 1.808 6.719 ( -0.000 -0.652 3.597) 3.655 8.090 ( 0.000 -1.096 -20.184) 20.214 8.699 ( -0.000 0.919 8.566) 8.615 10.360 ( -0.000 -16.905 11.403) 20.391 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 14.174 16.797 6.821) 23.013 0.974 ( 11.444 14.000 13.345) 22.473 1.731 ( 15.321 33.895 9.617) 38.420 4.607 ( 0.690 4.151 1.912) 4.622 4.823 ( 7.995 10.916 2.068) 13.688 5.971 ( 8.997 -1.033 -5.586) 10.640 6.182 ( 4.016 3.840 -0.600) 5.589 6.704 ( -2.205 -0.362 3.070) 3.797 6.749 ( 2.237 4.108 -2.339) 5.230 7.977 ( -1.755 -5.056 -17.532) 18.330 8.682 ( -3.517 -7.815 11.786) 14.573 10.114 ( -13.614 -8.984 2.655) 16.526 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 12.398 12.080 5.886) 18.283 1.423 ( 15.990 15.045 6.209) 22.817 2.378 ( 20.995 26.431 2.397) 33.839 4.698 ( 3.477 5.732 1.528) 6.876 5.135 ( 12.481 12.603 4.691) 18.347 6.095 ( 7.222 -0.895 -1.091) 7.358 6.291 ( 4.783 3.016 -1.282) 5.799 6.663 ( -3.242 0.370 1.936) 3.794 6.853 ( 5.872 4.408 -4.139) 8.428 7.807 ( -4.183 -7.103 -13.628) 15.928 8.511 ( -9.156 -12.081 13.138) 20.060 9.761 ( -17.162 -6.542 -7.076) 19.682 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 11.350 8.512 1.392) 14.256 1.843 ( 13.267 14.262 3.526) 19.795 2.971 ( 20.920 18.606 -1.017) 28.015 4.846 ( 5.342 7.019 0.988) 8.876 5.511 ( 13.277 12.567 5.753) 19.165 6.178 ( 3.038 -0.906 2.169) 3.842 6.392 ( 3.116 4.282 -2.281) 5.766 6.635 ( -0.823 2.046 -0.628) 2.293 6.981 ( 6.126 1.846 -4.646) 7.907 7.593 ( -6.719 -8.631 -8.325) 13.745 8.272 ( -9.035 -10.618 12.079) 18.446 9.347 ( -18.203 -6.684 -14.259) 24.070 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 8.082 4.843 -1.799) 9.592 2.182 ( 9.295 12.656 1.590) 15.783 3.456 ( 18.171 11.731 -1.548) 21.684 5.012 ( 4.872 7.330 -0.081) 8.802 5.843 ( 8.776 9.812 4.190) 13.815 6.205 ( -0.964 1.267 3.917) 4.228 6.461 ( 1.243 4.379 -3.059) 5.484 6.683 ( 3.629 3.214 -3.051) 5.727 7.037 ( 1.736 -0.664 -5.180) 5.504 7.363 ( -6.598 -8.027 -2.992) 10.813 8.111 ( -4.978 -7.297 11.674) 14.639 8.929 ( -14.441 -6.010 -17.571) 23.525 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 4.411 1.976 -3.261) 5.830 2.426 ( 5.034 10.633 0.900) 11.799 3.816 ( 13.791 5.843 -1.947) 15.104 5.147 ( 2.335 7.492 -0.968) 7.907 5.995 ( -1.259 4.530 1.157) 4.842 6.211 ( -3.553 4.765 4.662) 7.554 6.520 ( 3.700 3.564 -5.026) 7.187 6.770 ( 4.539 0.995 -3.479) 5.805 7.040 ( 1.219 2.552 -4.388) 5.220 7.217 ( -2.405 -4.685 1.535) 5.485 7.965 ( -9.185 -7.869 7.274) 14.114 8.675 ( -2.187 -2.912 -11.749) 12.300 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.081 0.595 -3.206) 3.868 2.576 ( 0.772 8.516 1.114) 8.623 4.023 ( 7.703 0.388 -4.487) 8.923 5.238 ( -0.786 8.838 -0.879) 8.916 5.943 ( -5.523 1.343 0.732) 5.731 6.217 ( -4.569 7.040 4.049) 9.318 6.628 ( 6.388 2.942 -5.327) 8.823 6.823 ( 4.303 -2.913 -2.676) 5.844 7.079 ( -1.246 5.953 -5.536) 8.224 7.205 ( 2.093 -0.840 5.081) 5.560 7.726 ( -9.174 -7.181 4.463) 12.476 8.665 ( 4.764 -2.029 -3.354) 6.170 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 1.170 0.142 -2.467) 2.734 2.630 ( -3.670 6.436 1.535) 7.567 4.058 ( 1.240 -3.749 -7.508) 8.483 5.282 ( -3.983 8.328 -0.244) 9.234 5.920 ( 0.288 3.177 3.159) 4.489 6.211 ( -6.194 7.361 2.877) 10.041 6.719 ( 3.236 -0.252 -3.848) 5.034 6.865 ( 4.996 -2.667 -0.285) 5.671 7.055 ( -3.813 1.808 -6.461) 7.717 7.223 ( -2.719 2.401 1.128) 3.799 7.633 ( 1.296 -2.445 8.872) 9.294 8.735 ( 6.482 -2.434 1.274) 7.040 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -0.207 -0.904 -1.957) 2.166 2.586 ( -8.444 4.275 1.606) 9.600 3.956 ( -3.672 -5.952 -7.469) 10.232 5.264 ( -5.598 4.396 0.691) 7.151 6.014 ( 2.157 5.583 3.598) 6.984 6.171 ( -6.931 6.239 1.729) 9.484 6.691 ( -3.459 -2.459 -1.138) 4.394 6.904 ( -0.541 -1.421 0.711) 1.679 6.978 ( 0.452 -0.849 -7.567) 7.628 7.227 ( -0.498 3.068 3.652) 4.796 7.696 ( 3.366 -0.552 2.250) 4.087 8.876 ( 10.523 -0.805 7.743) 13.089 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -3.907 -3.296 -2.160) 5.549 2.431 ( -13.597 1.691 0.918) 13.733 3.765 ( -8.436 -7.302 -4.391) 11.990 5.177 ( -7.658 0.317 0.672) 7.694 6.043 ( -7.088 2.221 2.600) 7.870 6.117 ( -5.733 4.603 0.302) 7.359 6.580 ( -5.777 -0.880 -1.244) 5.974 6.847 ( -2.922 -2.023 0.309) 3.567 7.006 ( 3.909 2.134 -3.601) 5.727 7.274 ( 2.594 0.212 1.314) 2.916 7.759 ( 5.198 0.610 -2.791) 5.932 9.137 ( 14.228 1.604 12.475) 18.990 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -9.511 -5.915 -2.575) 11.493 2.155 ( -18.722 -1.061 -0.364) 18.755 3.470 ( -16.142 -8.682 -1.007) 18.357 5.017 ( -9.540 -1.886 0.278) 9.728 5.809 ( -18.276 -3.494 2.147) 18.730 6.087 ( -2.293 3.056 -2.489) 4.560 6.472 ( -6.157 0.928 -2.134) 6.582 6.771 ( -3.823 -2.021 1.556) 4.596 7.076 ( 0.874 0.214 -2.607) 2.758 7.388 ( 11.696 3.360 -2.660) 12.457 7.884 ( 8.186 2.169 -1.116) 8.542 9.457 ( 14.496 2.214 11.729) 18.778 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -15.181 -6.940 -1.937) 16.805 1.771 ( -22.771 -2.622 -1.301) 22.958 3.009 ( -26.770 -9.721 1.092) 28.501 4.835 ( -8.896 -2.041 0.496) 9.140 5.431 ( -19.810 -4.595 0.948) 20.358 6.063 ( -1.525 0.538 -3.638) 3.981 6.371 ( -6.480 2.500 -2.930) 7.538 6.699 ( -2.690 -1.698 2.300) 3.926 7.017 ( -3.993 -2.485 -2.487) 5.321 7.698 ( 17.830 6.243 -4.966) 19.533 8.062 ( 9.276 2.363 2.364) 9.860 9.744 ( 12.412 0.922 7.613) 14.590 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -19.600 -4.686 1.228) 20.190 1.329 ( -24.802 -1.737 -0.736) 24.873 2.371 ( -36.523 -8.680 2.795) 37.644 4.686 ( -6.495 -1.346 0.990) 6.707 5.076 ( -16.876 -2.799 0.626) 17.118 6.024 ( -1.704 0.643 -3.034) 3.539 6.274 ( -6.575 2.648 -2.676) 7.577 6.668 ( -0.307 -1.178 2.255) 2.563 6.900 ( -5.709 -1.660 -2.164) 6.326 8.017 ( 14.665 4.258 -12.434) 19.693 8.277 ( 11.118 1.937 10.698) 15.550 9.951 ( 9.692 -1.654 3.108) 10.312 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -0.000 20.730 6.239) 21.649 1.092 ( -0.000 15.637 12.723) 20.159 2.006 ( 0.000 36.283 7.414) 37.033 4.657 ( -0.000 4.398 3.014) 5.332 4.887 ( 0.000 15.048 1.927) 15.171 5.851 ( 0.000 1.588 -8.296) 8.446 6.190 ( -0.000 3.662 1.715) 4.044 6.730 ( -0.000 -0.620 3.277) 3.335 6.765 ( 0.000 4.937 -3.565) 6.090 7.869 ( 0.000 -6.994 -15.948) 17.414 8.660 ( -0.000 -11.635 11.666) 16.476 10.151 ( -0.000 -9.920 0.894) 9.961 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 5.663 13.594 8.451) 16.979 1.365 ( 11.663 19.200 5.225) 23.064 2.439 ( 7.709 31.525 2.201) 32.529 4.727 ( 1.367 6.058 2.568) 6.721 5.123 ( 6.968 16.887 3.804) 18.660 5.930 ( 8.831 1.562 -5.650) 10.599 6.252 ( 2.365 2.953 1.081) 3.935 6.722 ( -1.747 0.286 2.277) 2.884 6.816 ( 1.957 4.729 -4.713) 6.958 7.724 ( -1.481 -8.719 -13.064) 15.776 8.530 ( -4.035 -15.525 11.354) 19.653 9.943 ( -12.269 -7.700 -4.089) 15.051 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 7.699 9.949 3.697) 13.111 1.788 ( 13.128 17.729 3.552) 22.345 2.889 ( 12.023 23.370 -1.347) 26.316 4.850 ( 3.750 7.889 1.960) 8.952 5.465 ( 10.535 16.778 4.522) 20.320 6.094 ( 7.961 1.980 -0.177) 8.206 6.338 ( 4.682 3.129 -2.302) 6.084 6.699 ( -2.655 2.155 0.793) 3.510 6.886 ( 4.054 2.068 -5.546) 7.174 7.549 ( -3.218 -10.007 -9.212) 13.978 8.319 ( -6.185 -15.209 10.346) 19.406 9.572 ( -18.927 -6.446 -9.364) 22.079 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 7.104 6.069 -0.553) 9.360 2.173 ( 10.046 16.660 1.852) 19.543 3.298 ( 13.859 14.751 -1.792) 20.319 5.016 ( 4.629 8.962 1.034) 10.140 5.817 ( 9.467 14.435 2.979) 17.518 6.218 ( 3.067 3.052 3.551) 5.597 6.454 ( 4.583 4.735 -4.506) 7.983 6.695 ( -1.217 4.474 -1.203) 4.790 6.942 ( 4.540 -1.792 -6.345) 8.006 7.352 ( -4.434 -10.138 -4.794) 12.059 8.133 ( -3.638 -11.242 10.349) 15.708 9.121 ( -20.348 -6.005 -13.107) 24.938 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 5.073 2.797 -3.065) 6.553 2.474 ( 5.597 15.453 0.852) 16.458 3.638 ( 12.983 7.395 -1.285) 14.996 5.184 ( 3.612 9.846 0.028) 10.488 6.062 ( 2.690 10.218 0.405) 10.574 6.308 ( 1.226 5.461 4.188) 6.990 6.519 ( -0.429 4.594 -5.410) 7.110 6.725 ( 0.672 2.750 -3.196) 4.270 6.982 ( 5.096 -0.518 -4.865) 7.064 7.196 ( -1.784 -6.406 -1.116) 6.743 8.025 ( -3.564 -9.127 9.788) 13.850 8.713 ( -12.762 -4.671 -12.271) 18.310 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 3.114 0.959 -3.698) 4.928 2.682 ( 1.077 13.989 1.100) 14.073 3.868 ( 9.058 1.258 -2.548) 9.493 5.339 ( 1.754 12.189 -0.547) 12.326 6.089 ( -7.169 4.667 -1.124) 8.628 6.394 ( -2.076 9.346 4.562) 10.606 6.544 ( 2.913 3.180 -6.377) 7.698 6.739 ( 1.367 -1.181 -3.041) 3.538 7.093 ( 6.646 4.187 -2.200) 8.157 7.155 ( 0.957 -1.822 0.766) 2.196 7.834 ( -10.187 -8.836 4.375) 14.177 8.554 ( 1.573 -3.963 -4.091) 5.909 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.950 0.383 -3.143) 3.718 2.798 ( -3.513 12.377 2.051) 13.028 3.952 ( 3.658 -3.394 -5.304) 7.283 5.465 ( -3.184 13.865 -1.424) 14.296 5.996 ( -4.808 3.193 1.001) 5.858 6.437 ( -6.722 10.626 2.860) 12.895 6.627 ( 5.331 1.588 -5.082) 7.535 6.754 ( 4.206 -2.420 0.040) 4.853 7.125 ( -4.022 2.098 -5.288) 6.967 7.255 ( 4.618 3.500 1.322) 5.944 7.631 ( -3.856 -6.550 7.044) 10.363 8.579 ( 6.375 -5.439 -0.078) 8.380 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.782 -0.094 -2.394) 2.520 2.818 ( -8.513 10.326 2.734) 13.659 3.904 ( -0.641 -5.943 -6.828) 9.075 5.460 ( -9.270 8.716 -0.978) 12.762 6.052 ( 2.922 8.092 2.226) 8.886 6.392 ( -8.651 6.470 1.249) 10.875 6.698 ( 1.600 2.206 -1.422) 3.074 6.838 ( 5.882 -0.737 1.689) 6.164 7.004 ( -6.985 -0.606 -6.320) 9.439 7.299 ( -2.466 3.172 -0.014) 4.018 7.633 ( 3.735 -3.691 6.630) 8.458 8.673 ( 10.992 -5.311 3.335) 12.655 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -1.945 -1.281 -2.032) 3.090 2.722 ( -13.888 7.041 2.199) 15.726 3.780 ( -3.669 -6.378 -5.328) 9.085 5.348 ( -9.981 3.260 0.121) 10.501 6.180 ( -1.657 8.715 0.751) 8.902 6.302 ( -7.848 3.709 1.927) 8.892 6.693 ( -5.622 3.795 0.238) 6.787 6.879 ( -3.122 -0.741 -2.537) 4.091 6.930 ( 4.491 0.078 -1.249) 4.662 7.268 ( -2.016 -1.145 -0.088) 2.320 7.671 ( 3.505 -2.079 0.359) 4.091 8.895 ( 16.778 -2.976 7.225) 18.508 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -6.651 -2.435 -1.756) 7.298 2.494 ( -18.749 2.972 0.701) 18.996 3.606 ( -8.673 -5.386 -2.415) 10.491 5.186 ( -10.709 0.256 0.222) 10.714 6.105 ( -14.527 2.093 0.886) 14.703 6.198 ( -7.264 1.937 1.509) 7.668 6.609 ( -7.684 4.515 -2.126) 9.162 6.831 ( -3.759 0.921 0.254) 3.879 7.017 ( 5.426 0.195 -2.707) 6.067 7.242 ( 4.392 -2.203 -1.897) 5.267 7.757 ( 7.396 0.409 0.054) 7.408 9.208 ( 18.190 -1.923 6.548) 19.428 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -12.005 -1.873 -0.565) 12.164 2.152 ( -22.285 0.411 -0.304) 22.290 3.331 ( -17.830 -3.832 -0.682) 18.250 4.996 ( -10.839 -0.576 0.418) 10.863 5.774 ( -21.905 -1.436 1.307) 21.991 6.120 ( -4.377 1.121 0.251) 4.525 6.513 ( -7.220 3.939 -3.073) 8.780 6.752 ( -4.798 -1.075 0.961) 5.010 7.033 ( -0.871 -1.211 -2.886) 3.249 7.433 ( 15.944 2.723 -2.903) 16.433 7.919 ( 9.678 0.969 2.054) 9.941 9.502 ( 16.313 -3.013 2.131) 16.725 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -16.295 1.490 2.274) 16.520 1.753 ( -24.038 0.933 0.224) 24.057 2.901 ( -28.726 -0.863 -0.057) 28.739 4.818 ( -9.221 -0.203 0.810) 9.259 5.395 ( -20.649 -0.012 1.648) 20.714 6.075 ( -2.566 2.042 1.012) 3.432 6.411 ( -7.090 2.468 -2.778) 8.005 6.677 ( -2.152 -1.943 0.913) 3.040 6.976 ( -4.264 1.038 -2.251) 4.932 7.737 ( 16.898 1.724 -6.581) 18.216 8.120 ( 11.387 -0.042 6.711) 13.217 9.714 ( 13.323 -5.464 -3.316) 14.777 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -0.000 12.524 7.611) 14.655 1.482 ( 0.000 21.327 3.809) 21.664 2.694 ( 0.000 29.539 -0.362) 29.541 4.782 ( -0.000 5.958 2.311) 6.390 5.269 ( 0.000 20.579 4.835) 21.140 5.851 ( 0.000 3.767 -5.526) 6.688 6.270 ( -0.000 2.890 2.164) 3.610 6.745 ( -0.000 0.241 1.690) 1.708 6.830 ( 0.000 4.496 -6.057) 7.543 7.599 ( 0.000 -9.918 -10.634) 14.541 8.434 ( -0.000 -17.835 9.440) 20.180 9.954 ( 0.000 -8.513 -5.221) 9.987 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.160 9.834 4.153) 11.133 1.788 ( 9.025 19.849 2.915) 21.998 2.990 ( 3.792 23.598 -2.717) 24.054 4.876 ( 2.726 7.084 1.671) 7.772 5.539 ( 4.301 20.835 4.786) 21.806 5.965 ( 8.890 4.957 -1.860) 10.347 6.315 ( 1.266 2.694 0.786) 3.078 6.747 ( -0.765 1.107 0.501) 1.436 6.849 ( 0.702 2.402 -7.082) 7.511 7.452 ( -1.288 -10.520 -7.459) 12.960 8.262 ( -2.542 -17.196 7.629) 18.984 9.743 ( -11.524 -8.056 -7.815) 16.087 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 4.364 6.416 0.171) 7.761 2.169 ( 11.166 18.032 1.894) 21.294 3.269 ( 6.766 16.094 -2.659) 17.659 5.026 ( 4.860 8.248 1.109) 9.637 5.842 ( 6.667 17.391 2.046) 18.737 6.187 ( 7.659 6.078 3.149) 10.272 6.390 ( 4.851 4.157 -2.270) 6.780 6.755 ( -0.372 3.280 -0.774) 3.391 6.840 ( 1.104 -2.052 -7.921) 8.256 7.293 ( -2.670 -9.739 -4.272) 10.965 8.091 ( -2.094 -13.275 7.359) 15.322 9.364 ( -18.821 -7.391 -10.146) 22.623 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 4.198 3.304 -2.684) 5.978 2.522 ( 8.506 17.006 0.778) 19.030 3.523 ( 8.918 8.787 -0.974) 12.558 5.206 ( 5.328 9.318 0.541) 10.747 6.106 ( 5.282 12.770 -0.976) 13.854 6.331 ( 2.829 4.715 3.481) 6.508 6.531 ( 3.903 6.284 -3.112) 8.025 6.761 ( -1.994 0.261 -6.187) 6.505 6.845 ( 6.109 0.329 -3.289) 6.946 7.156 ( -1.909 -6.019 -1.549) 6.502 7.990 ( -0.186 -9.753 8.460) 12.912 8.912 ( -19.639 -6.300 -10.517) 23.151 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.430 1.364 -3.684) 5.215 2.799 ( 3.985 16.254 0.522) 16.743 3.730 ( 8.221 2.423 -0.438) 8.582 5.400 ( 5.069 11.614 0.188) 12.674 6.232 ( -1.969 6.897 -3.325) 7.905 6.428 ( 2.305 3.141 -0.437) 3.921 6.594 ( -0.834 6.435 -0.321) 6.497 6.730 ( 0.108 0.879 -4.309) 4.399 6.952 ( 6.404 -0.646 -0.313) 6.444 7.136 ( 2.725 2.315 -2.565) 4.400 7.898 ( -4.585 -9.281 6.395) 12.168 8.555 ( -9.639 -4.727 -5.933) 12.266 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 2.674 0.694 -3.259) 4.272 2.987 ( -0.818 15.296 1.551) 15.396 3.836 ( 4.531 -2.708 -2.188) 5.714 5.610 ( 3.309 14.964 -0.604) 15.337 6.156 ( -9.314 3.214 -2.226) 10.101 6.486 ( 4.881 -0.574 -3.842) 6.239 6.690 ( -2.832 -0.786 -3.162) 4.317 6.692 ( -0.184 11.333 4.169) 12.077 7.096 ( 10.604 -2.853 3.456) 11.512 7.210 ( 0.795 7.364 -6.198) 9.658 7.697 ( -8.551 -7.580 3.851) 12.059 8.442 ( 1.791 -5.860 -0.180) 6.131 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.772 0.526 -2.395) 3.025 3.082 ( -6.216 13.598 2.970) 15.243 3.821 ( 0.761 -5.945 -4.502) 7.496 5.726 ( -8.695 12.268 -2.075) 15.179 6.091 ( 0.896 6.203 0.533) 6.290 6.520 ( -1.274 -0.593 -2.530) 2.894 6.645 ( 3.137 -2.489 -1.596) 4.311 6.823 ( 0.921 9.655 4.355) 10.632 7.127 ( -6.788 2.616 -3.367) 8.016 7.319 ( 5.060 2.098 -2.038) 5.845 7.562 ( -0.425 -5.292 6.184) 8.150 8.453 ( 7.051 -7.229 1.248) 10.175 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.075 0.157 -1.767) 1.775 3.048 ( -12.696 9.308 2.812) 15.991 3.739 ( -0.829 -5.595 -4.408) 7.171 5.587 ( -13.297 4.429 -0.621) 14.028 6.261 ( 4.274 11.378 -0.220) 12.156 6.437 ( -5.666 -0.281 -0.145) 5.675 6.702 ( 6.063 -4.095 -0.607) 7.341 6.927 ( -0.608 3.563 0.413) 3.638 6.996 ( -9.365 7.764 -0.217) 12.167 7.304 ( -4.221 -2.382 -2.971) 5.685 7.589 ( 4.009 -3.720 3.664) 6.583 8.584 ( 15.115 -5.508 2.785) 16.326 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -3.377 -0.083 -1.261) 3.606 2.848 ( -17.822 2.984 0.756) 18.086 3.659 ( -3.209 -1.980 -1.736) 4.151 5.391 ( -12.211 1.063 0.057) 12.258 6.312 ( -7.160 2.555 -0.000) 7.602 6.359 ( -6.668 2.362 0.907) 7.132 6.764 ( -0.651 1.103 -1.075) 1.672 6.845 ( 1.178 0.307 -3.014) 3.250 7.011 ( -6.534 6.972 1.740) 9.712 7.169 ( -1.185 -6.201 -3.382) 7.162 7.650 ( 5.239 -0.634 2.202) 5.718 8.858 ( 19.672 -3.944 1.612) 20.128 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -7.518 0.931 -0.237) 7.579 2.524 ( -20.355 -0.521 -0.405) 20.366 3.548 ( -9.604 1.172 -0.353) 9.682 5.190 ( -11.597 -0.081 0.267) 11.600 6.122 ( -17.916 -0.732 -0.556) 17.940 6.223 ( -6.327 -0.275 2.197) 6.703 6.660 ( -7.460 1.210 -2.368) 7.920 6.864 ( -8.794 -1.709 -0.989) 9.013 6.982 ( 6.386 2.160 -2.557) 7.210 7.214 ( 8.809 1.051 -1.321) 8.969 7.779 ( 8.126 0.706 3.277) 8.791 9.152 ( 18.805 -4.701 -3.192) 19.645 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -11.236 3.738 1.494) 11.936 2.155 ( -21.375 -0.002 0.072) 21.375 3.328 ( -18.971 4.208 -0.830) 19.449 4.997 ( -10.758 0.291 0.547) 10.776 5.769 ( -20.772 0.250 1.032) 20.799 6.147 ( -3.352 0.535 2.533) 4.235 6.533 ( -6.667 -0.847 -1.628) 6.915 6.723 ( -5.098 -1.100 -1.401) 5.400 7.040 ( -1.031 3.460 -2.257) 4.258 7.439 ( 15.557 -0.225 -2.414) 15.745 7.954 ( 9.701 -0.066 5.353) 11.080 9.372 ( 15.858 -6.902 -9.216) 19.597 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 8.225 2.131) 8.497 1.915 ( 0.000 19.481 2.438) 19.633 3.167 ( 0.000 19.651 -4.022) 20.058 4.922 ( 0.000 6.862 0.519) 6.882 5.750 ( 0.000 22.254 6.093) 23.073 5.925 ( 0.000 5.927 -0.526) 5.950 6.337 ( -0.000 2.602 1.132) 2.837 6.762 ( 0.000 1.015 -0.638) 1.198 6.833 ( 0.000 0.458 -8.242) 8.255 7.340 ( 0.000 -9.399 -4.600) 10.464 8.137 ( -0.000 -15.851 5.279) 16.707 9.727 ( 0.000 -9.338 -8.520) 12.641 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 1.624 5.571 -0.535) 5.828 2.181 ( 7.874 17.398 1.720) 19.174 3.339 ( 2.035 14.034 -3.578) 14.625 5.026 ( 3.787 7.178 -0.128) 8.117 5.950 ( 0.945 14.849 2.528) 15.092 6.118 ( 9.358 10.009 3.529) 14.150 6.376 ( 1.305 3.426 0.468) 3.696 6.758 ( -0.498 -1.443 -3.420) 3.746 6.796 ( 0.411 -0.747 -7.348) 7.397 7.239 ( -1.642 -5.223 -1.990) 5.825 8.008 ( -0.671 -11.650 4.613) 12.548 9.503 ( -10.567 -9.695 -9.631) 17.275 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.498 3.023 -2.619) 4.716 2.518 ( 10.785 15.652 0.735) 19.022 3.494 ( 4.225 8.244 -1.379) 9.366 5.188 ( 6.347 7.661 -0.271) 9.952 6.131 ( 4.287 9.804 -0.401) 10.708 6.331 ( 4.403 4.641 3.092) 7.105 6.500 ( 6.465 7.656 0.065) 10.020 6.676 ( 0.093 -7.491 -8.157) 11.075 6.821 ( 2.755 3.895 -2.755) 5.509 7.165 ( -3.765 0.244 -0.284) 3.784 7.926 ( -0.043 -7.400 5.594) 9.277 9.127 ( -16.981 -9.080 -9.692) 21.558 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 2.911 1.429 -3.303) 4.629 2.847 ( 8.961 14.916 -0.204) 17.402 3.636 ( 5.618 2.674 0.722) 6.264 5.394 ( 7.790 9.281 0.031) 12.117 6.245 ( 2.884 2.341 -4.133) 5.557 6.444 ( 0.908 3.484 1.066) 3.755 6.602 ( 4.994 -3.860 -3.205) 7.079 6.661 ( 2.998 5.034 -0.804) 5.914 6.950 ( 4.105 8.350 -3.202) 9.840 7.113 ( -2.209 2.109 0.201) 3.061 7.878 ( -1.206 -6.427 5.652) 8.643 8.714 ( -16.192 -7.007 -7.069) 19.006 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 2.958 0.888 -2.746) 4.133 3.113 ( 4.704 14.636 -0.049) 15.373 3.729 ( 4.280 -2.556 0.675) 5.031 5.643 ( 8.389 12.361 0.191) 14.940 6.272 ( 0.130 0.085 -3.674) 3.677 6.405 ( -1.171 -2.704 -3.322) 4.440 6.713 ( -1.053 2.381 -2.483) 3.598 6.766 ( 9.414 3.853 6.298) 11.964 6.977 ( -3.812 4.913 -2.300) 6.630 7.217 ( 5.929 6.844 -3.607) 9.747 7.759 ( -5.974 -8.031 3.467) 10.593 8.432 ( -7.284 -4.795 -1.675) 8.880 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 2.556 0.847 -1.815) 3.247 3.296 ( -0.742 14.035 1.520) 14.137 3.727 ( 1.335 -6.859 -1.473) 7.142 5.907 ( 4.581 14.772 -0.793) 15.486 6.188 ( -7.612 1.440 -1.367) 7.867 6.410 ( 6.631 -5.046 -1.514) 8.469 6.643 ( -5.281 -0.969 -1.641) 5.615 6.940 ( -1.363 8.812 2.327) 9.215 7.063 ( 13.759 -2.268 2.133) 14.107 7.313 ( -2.150 7.204 -5.690) 9.428 7.593 ( -5.038 -5.598 3.365) 8.249 8.325 ( 0.101 -5.641 0.764) 5.693 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.439 0.776 -1.197) 2.027 3.341 ( -9.431 8.211 2.078) 12.676 3.668 ( 1.596 -5.076 -2.403) 5.838 5.881 ( -15.346 4.237 -0.731) 15.936 6.263 ( 7.480 10.406 -0.970) 12.852 6.474 ( 5.238 -4.484 -0.775) 6.939 6.551 ( -1.654 -3.565 0.916) 4.036 6.976 ( -1.227 2.890 -1.578) 3.514 7.235 ( -6.281 7.596 2.079) 10.074 7.285 ( 4.653 -2.999 -2.834) 6.219 7.512 ( -0.448 -3.037 2.377) 3.882 8.335 ( 7.522 -4.517 0.823) 8.813 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -0.558 0.800 -0.893) 1.323 3.145 ( -15.183 -2.175 -0.739) 15.355 3.682 ( 0.333 2.857 0.752) 2.973 5.632 ( -14.830 0.382 0.144) 14.836 6.429 ( 1.181 0.960 -1.832) 2.381 6.440 ( -5.339 0.495 1.606) 5.597 6.598 ( 10.141 -1.103 -0.194) 10.203 6.934 ( -4.674 1.142 -3.265) 5.815 7.129 ( -4.639 -6.842 -3.832) 9.111 7.251 ( -8.918 6.813 2.159) 11.428 7.562 ( 5.920 -1.260 2.884) 6.705 8.510 ( 15.600 -2.134 -0.883) 15.770 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -3.197 1.574 -0.480) 3.595 2.820 ( -16.941 -4.900 -1.478) 17.697 3.702 ( -4.304 5.703 1.863) 7.384 5.392 ( -12.456 -1.097 0.164) 12.505 6.325 ( -8.223 -4.255 -1.986) 9.469 6.340 ( -6.668 -1.853 2.416) 7.330 6.734 ( 0.787 -1.935 -3.714) 4.261 6.868 ( -0.912 1.828 -1.558) 2.569 6.957 ( -1.854 -4.853 -1.928) 5.541 7.206 ( -3.930 5.418 -0.433) 6.708 7.682 ( 6.394 1.081 4.913) 8.136 8.773 ( 17.592 -2.466 -5.768) 18.677 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -5.905 3.421 0.149) 6.826 2.475 ( -17.369 -3.216 -0.775) 17.681 3.643 ( -11.089 7.473 0.834) 13.398 5.183 ( -10.605 -0.787 -0.016) 10.634 6.071 ( -14.312 -3.205 -1.392) 14.732 6.223 ( -5.333 -2.246 3.088) 6.560 6.612 ( -5.832 -3.564 -2.141) 7.163 6.795 ( -4.212 -0.346 -2.818) 5.080 7.039 ( 4.171 2.341 -0.562) 4.816 7.238 ( 5.537 1.394 -2.004) 6.051 7.835 ( 7.396 0.865 6.830) 10.105 8.994 ( 15.470 -4.735 -12.154) 20.235 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 3.821 -1.975) 4.301 2.278 ( 0.000 15.092 1.413) 15.158 3.431 ( 0.000 10.039 -3.325) 10.575 5.056 ( 0.000 6.633 -1.042) 6.714 6.075 ( -0.000 7.636 3.746) 8.505 6.150 ( 0.000 11.316 2.592) 11.609 6.405 ( -0.000 3.913 1.811) 4.312 6.698 ( 0.000 -7.189 -9.666) 12.047 6.768 ( 0.000 0.618 -2.780) 2.848 7.241 ( 0.000 2.981 0.120) 2.983 7.933 ( -0.000 -6.865 3.615) 7.758 9.452 ( 0.000 -11.552 -10.058) 15.317 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.999 2.048 -2.784) 3.597 2.492 ( 7.991 12.570 0.711) 14.912 3.514 ( 1.492 5.856 -1.531) 6.234 5.155 ( 4.514 6.204 -1.226) 7.770 6.164 ( 0.645 5.623 1.758) 5.926 6.291 ( 6.022 4.177 1.796) 7.546 6.482 ( 3.416 4.817 3.005) 6.626 6.580 ( -0.765 -6.962 -9.074) 11.462 6.779 ( 2.304 0.270 -3.300) 4.034 7.277 ( -3.059 7.880 0.756) 8.487 7.905 ( -0.621 -0.777 4.244) 4.359 9.213 ( -8.978 -12.211 -9.935) 18.122 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.964 1.097 -2.525) 3.382 2.788 ( 11.969 10.956 -0.343) 16.230 3.591 ( 2.918 2.026 0.831) 3.648 5.326 ( 8.412 6.442 -0.779) 10.624 6.195 ( 1.232 -1.516 -2.280) 3.003 6.447 ( 4.538 3.920 3.903) 7.154 6.483 ( 0.400 -4.125 -6.583) 7.779 6.638 ( 6.598 5.515 0.824) 8.639 6.853 ( 7.796 0.861 -1.995) 8.093 7.277 ( -6.407 7.713 0.150) 10.028 7.905 ( -3.290 2.434 4.029) 5.743 8.862 ( -13.222 -10.755 -7.867) 18.772 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.671 0.934 -1.511) 3.208 3.097 ( 11.305 10.189 -1.220) 15.268 3.650 ( 2.757 -1.834 2.167) 3.957 5.570 ( 11.681 7.927 0.113) 14.117 6.185 ( 2.570 -4.313 -2.628) 5.667 6.413 ( -1.833 -1.058 -3.458) 4.055 6.601 ( 7.843 0.851 1.933) 8.122 6.769 ( 2.114 4.142 1.837) 5.000 7.060 ( 11.928 4.455 -3.004) 13.083 7.214 ( -7.898 5.990 0.173) 9.914 7.825 ( -8.231 -1.436 1.428) 8.476 8.540 ( -10.746 -5.992 -3.212) 12.716 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.814 1.019 -0.481) 3.031 3.361 ( 8.151 9.732 -0.983) 12.733 3.646 ( -0.120 -5.888 1.497) 6.076 5.875 ( 12.853 9.251 0.415) 15.842 6.189 ( 4.033 -5.271 -1.094) 6.726 6.355 ( -3.887 0.310 -0.606) 3.946 6.720 ( 1.102 1.144 -4.984) 5.231 6.840 ( 6.293 -1.128 6.854) 9.373 7.093 ( -7.544 5.689 -0.528) 9.464 7.322 ( 8.624 5.660 -3.368) 10.851 7.639 ( -7.975 -5.403 1.213) 9.709 8.349 ( -6.644 -2.485 -0.228) 7.098 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.269 0.988 -0.000) 2.475 3.527 ( -6.345 -5.543 -0.012) 8.425 3.568 ( 6.329 5.367 0.004) 8.299 6.147 ( -8.658 2.695 0.396) 9.077 6.167 ( 12.123 -1.307 -0.427) 12.201 6.311 ( 2.148 0.454 0.350) 2.223 6.639 ( -6.236 1.111 -0.176) 6.337 6.977 ( 4.181 -2.421 -4.244) 6.430 7.102 ( 6.957 0.822 6.101) 9.290 7.404 ( -5.976 5.124 -3.995) 8.828 7.517 ( -0.012 -4.271 2.012) 4.721 8.257 ( -1.245 -0.621 -0.010) 1.391 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 1.127 0.945 -0.060) 1.472 3.296 ( -9.789 -10.380 -1.728) 14.372 3.719 ( 2.526 7.904 1.918) 8.517 5.900 ( -15.982 -2.430 0.956) 16.194 6.268 ( 7.445 -10.717 -0.816) 13.074 6.465 ( 6.027 7.053 -1.176) 9.351 6.582 ( -3.348 3.554 3.644) 6.093 6.938 ( -0.458 -5.244 -4.468) 6.905 7.183 ( -5.325 -2.065 -2.308) 6.160 7.381 ( 4.152 1.952 4.946) 6.747 7.468 ( -1.866 -1.654 -1.734) 3.037 8.317 ( 6.690 3.019 -0.649) 7.368 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.355 1.254 -0.319) 1.342 2.992 ( -12.245 -9.923 -1.897) 15.874 3.825 ( -0.604 8.041 2.858) 8.555 5.603 ( -14.486 -3.812 0.776) 14.999 6.243 ( 3.695 -12.437 -2.037) 13.133 6.473 ( -7.068 0.072 2.928) 7.651 6.676 ( 3.740 4.261 -2.096) 6.044 6.846 ( 0.765 -7.548 -5.119) 9.152 7.031 ( -8.255 2.571 1.230) 8.733 7.336 ( -6.419 0.076 -0.840) 6.474 7.574 ( 9.123 -0.509 2.415) 9.451 8.508 ( 10.957 3.952 -3.542) 12.175 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -1.910 2.110 -0.622) 2.913 2.682 ( -12.846 -6.770 -1.125) 14.565 3.871 ( -5.167 8.657 2.337) 10.349 5.345 ( -10.908 -3.721 -0.104) 11.526 6.137 ( -1.657 -9.960 -2.823) 10.484 6.309 ( -8.090 -5.618 2.617) 10.192 6.655 ( -3.821 -0.962 -3.292) 5.135 6.829 ( 0.115 0.835 -4.483) 4.562 7.017 ( 0.553 4.536 4.807) 6.632 7.230 ( -3.594 -1.240 -3.471) 5.148 7.730 ( 8.502 -1.060 4.685) 9.765 8.706 ( 10.409 1.812 -8.860) 13.789 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 1.059 -2.433) 2.653 2.528 ( 0.000 9.187 0.448) 9.198 3.542 ( 0.000 3.087 -0.577) 3.141 5.164 ( 0.000 4.979 -1.418) 5.177 6.214 ( 0.000 -2.473 -1.591) 2.940 6.266 ( -0.000 7.685 4.853) 9.089 6.479 ( 0.000 -2.168 -2.773) 3.520 6.520 ( 0.000 0.506 -1.304) 1.399 6.741 ( 0.000 -0.963 -3.607) 3.733 7.385 ( 0.000 6.751 0.168) 6.753 7.971 ( -0.000 9.025 4.716) 10.183 9.119 ( 0.000 -14.392 -9.936) 17.489 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.999 0.761 -1.197) 1.735 2.685 ( 8.795 6.522 -0.254) 10.952 3.574 ( 1.290 0.960 1.149) 1.976 5.250 ( 5.346 4.005 -1.081) 6.766 6.164 ( -0.705 -2.967 -1.966) 3.628 6.408 ( 4.954 4.140 3.090) 7.158 6.443 ( -0.015 -0.433 -4.668) 4.689 6.576 ( 4.863 2.303 3.197) 6.258 6.744 ( 3.243 -1.387 -2.254) 4.186 7.410 ( -2.481 3.433 -0.761) 4.304 8.076 ( -4.498 13.475 3.759) 14.694 8.879 ( -6.350 -13.839 -8.140) 17.266 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 1.966 0.987 0.337) 2.226 2.938 ( 13.755 4.365 -1.168) 14.479 3.610 ( 1.677 -0.711 2.516) 3.106 5.422 ( 10.706 3.155 -0.243) 11.164 6.124 ( -0.034 -1.881 -1.991) 2.739 6.425 ( -0.808 1.244 -1.585) 2.171 6.514 ( 4.237 -0.012 2.223) 4.785 6.753 ( 5.768 4.751 1.861) 7.701 6.829 ( 12.095 -2.083 -0.727) 12.295 7.373 ( -4.584 2.028 -0.923) 5.097 8.045 ( -12.382 6.341 -0.754) 13.931 8.625 ( -7.447 -6.178 -2.941) 10.113 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 2.502 1.118 1.426) 3.089 3.207 ( 13.898 1.010 -1.401) 14.005 3.624 ( 0.059 -1.472 2.238) 2.679 5.666 ( 14.642 -0.137 0.440) 14.650 6.124 ( 1.333 1.543 -0.604) 2.126 6.420 ( -1.959 2.279 1.426) 3.327 6.601 ( 6.363 -1.209 -0.834) 6.531 6.829 ( 1.340 -0.430 3.603) 3.868 7.094 ( 15.842 1.215 -2.565) 16.095 7.284 ( -6.718 0.007 0.720) 6.756 7.811 ( -14.160 -0.755 -2.779) 14.449 8.473 ( -8.351 1.491 0.177) 8.485 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.447 0.985 1.702) 3.139 3.375 ( 7.647 -9.048 0.166) 11.848 3.626 ( 0.373 4.460 -0.178) 4.479 5.870 ( 12.904 -9.475 -0.043) 16.009 6.219 ( 3.734 7.869 1.503) 8.838 6.398 ( -4.907 2.561 2.899) 6.248 6.681 ( 3.495 -0.735 -6.645) 7.543 6.844 ( 2.387 -2.785 5.605) 6.698 7.133 ( -5.837 -2.923 2.833) 7.116 7.355 ( 11.776 -1.802 -0.634) 11.930 7.595 ( -10.148 2.201 -2.485) 10.677 8.350 ( -7.823 3.170 -0.085) 8.441 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 1.862 0.830 1.290) 2.412 3.276 ( -3.101 -14.352 -0.062) 14.683 3.743 ( 4.418 7.299 -0.188) 8.534 5.915 ( 6.334 -14.804 -0.196) 16.103 6.230 ( -10.463 0.130 2.216) 10.696 6.438 ( 4.920 7.436 1.194) 8.996 6.666 ( -0.826 1.318 -1.767) 2.354 6.865 ( -0.628 -6.315 -0.384) 6.358 7.108 ( 6.767 -3.725 4.013) 8.705 7.416 ( -1.599 -5.441 3.388) 6.606 7.497 ( -4.207 5.886 -5.161) 8.887 8.312 ( -0.722 5.932 -0.243) 5.980 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.955 0.875 0.537) 1.402 3.038 ( -7.322 -13.310 -0.730) 15.209 3.886 ( 3.427 6.978 1.063) 7.846 5.762 ( -7.864 -12.516 0.702) 14.798 6.081 ( -2.155 -6.035 -0.212) 6.412 6.566 ( 0.070 1.513 0.856) 1.740 6.684 ( -1.421 2.924 2.744) 4.255 6.730 ( 0.472 -8.365 -3.881) 9.234 7.170 ( -1.383 -0.674 0.666) 1.677 7.387 ( 2.085 -4.645 3.379) 6.111 7.446 ( -2.075 3.593 -3.970) 5.742 8.431 ( 5.271 7.993 -0.436) 9.584 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.004 1.108 -0.370) 1.168 2.780 ( -8.447 -9.656 -0.508) 12.839 4.000 ( 0.611 7.427 1.273) 7.560 5.479 ( -10.805 -9.142 0.339) 14.158 6.004 ( 1.510 -8.713 -1.685) 9.002 6.389 ( -8.714 -10.356 1.137) 13.582 6.700 ( -0.729 2.756 -1.275) 3.123 6.783 ( 4.093 2.887 -2.621) 5.653 7.125 ( -3.789 2.388 4.113) 6.081 7.283 ( -6.133 -3.091 -2.192) 7.210 7.552 ( 9.184 -1.765 -0.097) 9.352 8.603 ( 5.503 6.997 -2.350) 9.207 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.000 0.878 0.651) 1.094 2.649 ( 0.000 2.969 -0.459) 3.004 3.574 ( -0.000 0.262 2.248) 2.263 5.229 ( 0.000 2.274 -0.842) 2.425 6.137 ( 0.000 -1.752 -2.395) 2.967 6.403 ( 0.000 2.226 0.297) 2.246 6.440 ( 0.000 1.925 -1.605) 2.506 6.554 ( -0.000 -0.711 4.388) 4.445 6.703 ( 0.000 0.018 -0.147) 0.148 7.444 ( 0.000 0.958 -1.667) 1.923 8.281 ( 0.000 13.328 0.958) 13.362 8.769 ( 0.000 -11.202 -5.397) 12.434 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.993 1.180 2.393) 2.847 2.746 ( 9.378 0.029 -1.018) 9.433 3.594 ( 0.862 -0.153 3.370) 3.482 5.293 ( 5.856 0.659 -0.213) 5.897 6.119 ( -0.489 0.868 -2.097) 2.322 6.433 ( 3.057 -1.562 -1.637) 3.803 6.468 ( 0.398 2.700 1.923) 3.339 6.612 ( 7.100 -1.902 2.456) 7.750 6.742 ( 2.402 2.108 2.899) 4.315 7.428 ( -1.779 0.222 -2.045) 2.719 8.246 ( -7.718 -5.102 -6.420) 11.261 8.705 ( -3.991 6.704 2.141) 8.090 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.742 1.002 3.302) 3.866 2.937 ( 14.200 -3.650 -1.340) 14.723 3.617 ( 0.662 -0.559 3.201) 3.316 5.431 ( 10.409 -2.449 0.489) 10.704 6.134 ( 0.881 3.824 -1.058) 4.064 6.462 ( 1.974 -0.806 -0.917) 2.321 6.517 ( 1.220 1.787 4.811) 5.275 6.750 ( 9.214 -5.069 1.769) 10.664 6.854 ( 8.168 3.008 1.275) 8.797 7.366 ( -4.206 -1.794 -1.519) 4.818 7.976 ( -9.952 -8.555 -6.209) 14.519 8.697 ( -9.900 11.332 2.769) 15.300 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 2.208 0.468 3.233) 3.943 3.108 ( 12.158 -9.630 -0.368) 15.514 3.635 ( 1.167 0.725 0.982) 1.689 5.573 ( 10.903 -7.971 0.274) 13.508 6.234 ( 4.025 6.974 1.584) 8.207 6.476 ( 0.738 -0.712 -0.481) 1.133 6.581 ( 2.181 1.764 3.253) 4.296 6.803 ( 2.439 -4.815 4.010) 6.724 7.079 ( 14.430 -0.923 -1.633) 14.552 7.223 ( -6.968 -6.665 1.433) 9.748 7.754 ( -7.278 -0.883 -4.719) 8.718 8.601 ( -13.590 9.482 1.830) 16.672 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.291 0.142 2.490) 3.386 3.123 ( 3.856 -15.232 0.915) 15.739 3.707 ( 5.120 3.148 -1.239) 6.137 5.637 ( 8.351 -12.405 -0.302) 14.958 6.360 ( -0.044 1.589 3.955) 4.263 6.466 ( -0.481 0.429 1.004) 1.193 6.622 ( 0.787 1.367 -3.895) 4.202 6.825 ( 3.594 -2.706 5.575) 7.164 7.042 ( -4.581 -7.521 3.592) 9.510 7.268 ( 9.800 -5.583 0.867) 11.312 7.660 ( -5.446 6.131 -5.167) 9.693 8.476 ( -10.343 8.440 2.002) 13.499 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 1.853 0.260 1.473) 2.381 2.977 ( -2.177 -15.515 0.744) 15.684 3.847 ( 7.058 3.703 -1.229) 8.065 5.611 ( 4.204 -14.714 -0.525) 15.312 6.216 ( -12.014 -3.411 2.811) 12.802 6.505 ( 3.638 -4.640 -2.486) 6.399 6.655 ( 1.918 0.922 1.344) 2.517 6.788 ( -5.954 -2.152 5.252) 8.226 7.044 ( 8.177 -2.676 -1.326) 8.705 7.315 ( 2.631 -6.390 3.055) 7.556 7.610 ( -7.308 7.901 -3.874) 11.439 8.473 ( -0.923 9.048 2.697) 9.486 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -0.000 1.175 4.038) 4.205 2.641 ( 0.000 -3.177 -1.167) 3.385 3.601 ( -0.000 -0.135 4.551) 4.553 5.240 ( -0.000 -0.940 0.117) 0.947 6.139 ( 0.000 3.313 -2.080) 3.912 6.333 ( 0.000 -5.882 -5.076) 7.770 6.521 ( -0.000 4.452 3.948) 5.950 6.552 ( -0.000 -2.525 5.540) 6.088 6.759 ( -0.000 2.618 3.949) 4.738 7.433 ( 0.000 -0.471 -2.699) 2.740 8.159 ( 0.000 -15.456 -8.720) 17.746 8.892 ( 0.000 16.790 4.303) 17.333 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.712 0.302 4.599) 4.664 2.672 ( 9.110 -6.518 -1.384) 11.287 3.616 ( 0.230 -1.089 4.814) 4.941 5.270 ( 5.247 -3.123 0.642) 6.140 6.153 ( -0.177 2.620 -2.509) 3.632 6.331 ( 6.899 -4.621 -3.721) 9.099 6.563 ( 4.469 -3.268 2.142) 5.936 6.595 ( -0.664 4.420 8.429) 9.541 6.815 ( 2.292 1.673 3.603) 4.586 7.390 ( -2.268 -3.156 -2.594) 4.672 7.950 ( -3.322 -12.045 -6.976) 14.311 9.013 ( -7.427 16.419 3.270) 18.315 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.603 -1.063 4.015) 4.452 2.781 ( 12.838 -10.796 -1.020) 16.805 3.619 ( 0.563 -2.307 3.265) 4.038 5.342 ( 7.688 -6.506 0.585) 10.089 6.207 ( 4.891 1.709 -0.962) 5.269 6.381 ( 4.033 -3.913 -2.121) 6.006 6.649 ( 8.230 -4.982 1.837) 9.794 6.659 ( -0.332 4.372 8.305) 9.391 6.898 ( 5.328 0.295 1.925) 5.672 7.264 ( -5.276 -7.057 -0.727) 8.841 7.797 ( -3.014 -2.357 -5.346) 6.574 8.982 ( -14.429 13.769 2.479) 20.098 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 2.685 -1.826 2.843) 4.315 2.852 ( 9.746 -15.310 0.198) 18.150 3.633 ( 3.603 -2.108 0.542) 4.210 5.393 ( 7.171 -9.692 -0.063) 12.057 6.312 ( 6.257 -3.622 1.256) 7.337 6.385 ( 2.752 -4.498 -2.302) 5.754 6.701 ( 0.708 -2.734 3.950) 4.855 6.743 ( 2.252 4.468 5.857) 7.703 7.010 ( 7.031 -7.972 1.888) 10.796 7.114 ( -2.976 -1.144 0.801) 3.288 7.747 ( -2.093 4.306 -5.790) 7.513 8.836 ( -17.047 11.527 3.547) 20.882 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 3.280 -1.523 1.631) 3.967 2.806 ( 3.765 -16.982 1.104) 17.429 3.720 ( 8.245 -1.073 -1.313) 8.417 5.394 ( 5.286 -11.439 -0.265) 12.604 6.299 ( -1.309 -9.425 2.644) 9.876 6.374 ( 2.986 -6.177 -3.446) 7.677 6.684 ( -1.822 -1.132 5.296) 5.714 6.834 ( 0.477 -0.999 4.346) 4.485 6.948 ( 0.107 -0.300 0.041) 0.321 7.192 ( 5.937 -2.122 1.954) 6.601 7.747 ( -2.444 6.852 -6.677) 9.874 8.703 ( -12.005 10.818 6.796) 17.531 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -0.000 -1.398 5.010) 5.202 2.506 ( -0.000 -9.388 -1.469) 9.502 3.616 ( -0.000 -2.925 5.782) 6.479 5.191 ( -0.000 -4.461 0.841) 4.539 6.159 ( 0.000 -6.953 -4.497) 8.280 6.192 ( 0.000 1.721 -3.210) 3.642 6.501 ( -0.000 -4.463 3.262) 5.528 6.694 ( -0.000 6.344 9.094) 11.088 6.817 ( -0.000 0.277 3.086) 3.099 7.355 ( 0.000 -6.052 -2.336) 6.487 7.856 ( 0.000 -5.913 -5.373) 7.989 9.257 ( 0.000 16.337 2.125) 16.475 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.635 -3.770 4.156) 5.647 2.469 ( 8.487 -12.700 -1.219) 15.323 3.592 ( -0.098 -5.864 5.036) 7.730 5.178 ( 4.112 -6.587 0.691) 7.796 6.102 ( 3.171 -5.198 -2.662) 6.645 6.235 ( 6.667 -5.240 -3.928) 9.346 6.488 ( 3.081 -5.286 2.889) 6.766 6.764 ( -1.817 4.754 6.454) 8.219 6.858 ( 2.461 1.118 4.289) 5.070 7.264 ( -2.577 -5.412 -0.053) 5.995 7.811 ( -1.243 2.263 -4.069) 4.819 9.340 ( -8.897 14.436 1.117) 16.994 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 2.534 -5.339 2.442) 6.394 2.505 ( 11.582 -15.988 -0.461) 19.748 3.545 ( 1.750 -8.040 2.852) 8.708 5.190 ( 5.695 -8.727 -0.082) 10.421 6.118 ( 7.022 -9.896 -0.844) 12.163 6.265 ( 5.049 -7.062 -3.442) 9.339 6.540 ( 7.888 -5.773 3.406) 10.351 6.807 ( 2.232 1.599 2.785) 3.911 6.916 ( -0.578 1.039 5.895) 6.013 7.189 ( -3.841 2.134 2.031) 4.841 7.814 ( -2.056 6.596 -4.371) 8.175 9.260 ( -15.673 12.320 1.969) 20.033 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 4.861 -5.076 0.835) 7.078 2.519 ( 9.249 -17.913 0.404) 20.164 3.542 ( 7.032 -7.743 0.664) 10.481 5.194 ( 5.580 -9.918 -0.463) 11.390 6.116 ( 7.162 -15.157 0.408) 16.769 6.254 ( 2.964 -5.845 -3.281) 7.328 6.624 ( 5.243 -5.465 4.111) 8.617 6.847 ( 0.724 -8.302 2.019) 8.575 6.943 ( 1.513 6.873 4.511) 8.359 7.196 ( -2.805 8.020 1.907) 8.707 7.830 ( -2.482 7.747 -5.739) 9.955 9.100 ( -16.717 11.257 6.162) 21.075 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -0.000 -7.059 3.838) 8.035 2.247 ( -0.000 -15.424 -1.214) 15.471 3.531 ( -0.000 -10.568 5.030) 11.704 5.074 ( -0.000 -7.605 0.487) 7.621 6.022 ( -0.000 -4.278 -0.959) 4.384 6.046 ( 0.000 -14.157 -5.857) 15.321 6.429 ( -0.000 -4.800 2.846) 5.580 6.812 ( -0.000 -2.185 1.166) 2.477 6.895 ( -0.000 6.480 7.760) 10.110 7.262 ( -0.000 0.597 2.184) 2.264 7.858 ( 0.000 7.150 -3.034) 7.767 9.560 ( 0.000 13.467 -0.684) 13.485 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 1.245 -9.717 2.163) 10.033 2.155 ( 8.443 -17.887 -0.523) 19.786 3.421 ( 0.877 -15.093 3.308) 15.476 5.024 ( 3.265 -8.713 -0.254) 9.308 5.880 ( 3.773 -17.851 -3.719) 18.621 6.065 ( 7.403 -4.568 -0.724) 8.729 6.411 ( 2.797 -4.719 2.880) 6.196 6.785 ( -0.207 -2.523 0.206) 2.540 6.970 ( 0.071 1.630 6.830) 7.022 7.306 ( -1.868 9.247 3.913) 10.213 7.918 ( -1.802 9.827 -3.344) 10.535 9.602 ( -9.076 11.865 -1.051) 14.975 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 5.109 -10.046 -0.096) 11.271 2.150 ( 11.597 -19.175 0.051) 22.409 3.318 ( 5.689 -16.697 1.566) 17.709 5.003 ( 4.860 -9.422 -0.838) 10.635 5.793 ( 8.752 -19.561 -2.034) 21.526 6.131 ( 4.618 -3.759 -1.639) 6.176 6.472 ( 7.311 -4.322 4.171) 9.462 6.759 ( 0.782 -4.269 -0.371) 4.356 6.989 ( 0.074 -0.363 5.136) 5.150 7.392 ( -4.270 13.998 4.278) 15.247 7.956 ( -3.792 10.088 -4.566) 11.705 9.502 ( -14.485 10.535 2.138) 18.038 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -0.000 -13.478 2.118) 13.643 1.881 ( -0.000 -20.345 -0.474) 20.351 3.234 ( -0.000 -22.348 1.601) 22.406 4.908 ( -0.000 -8.591 -0.657) 8.616 5.626 ( -0.000 -21.269 -4.698) 21.782 5.977 ( -0.000 -1.550 3.924) 4.218 6.347 ( -0.000 -5.047 1.693) 5.324 6.759 ( 0.000 -2.916 -0.996) 3.081 6.990 ( -0.000 -1.971 5.766) 6.094 7.462 ( -0.000 14.547 6.172) 15.802 8.032 ( 0.000 11.783 -4.043) 12.457 9.787 ( 0.000 10.907 -3.456) 11.441 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.726 -15.367 -0.010) 15.607 1.761 ( 9.388 -21.190 0.384) 23.179 3.017 ( 4.306 -26.720 -0.213) 27.066 4.844 ( 2.607 -8.435 -1.092) 8.896 5.452 ( 5.674 -20.219 -2.713) 21.175 6.025 ( 4.075 -1.575 3.259) 5.450 6.339 ( 4.382 -4.403 2.675) 6.764 6.722 ( -0.411 -2.700 -1.791) 3.266 6.978 ( 0.264 -4.045 4.426) 6.002 7.626 ( -2.362 16.314 7.697) 18.193 8.110 ( -2.885 11.827 -5.792) 13.481 9.802 ( -8.194 9.649 -2.697) 12.943 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 -18.921 0.854) 18.941 1.442 ( -0.000 -23.351 0.529) 23.357 2.658 ( -0.000 -34.453 -2.885) 34.574 4.739 ( -0.000 -7.187 -1.326) 7.308 5.199 ( -0.000 -18.511 -1.516) 18.573 5.999 ( -0.000 -1.006 7.274) 7.343 6.258 ( -0.000 -4.800 1.149) 4.936 6.697 ( 0.000 -1.619 -2.587) 3.052 6.940 ( -0.000 -5.817 3.604) 6.843 7.845 ( -0.000 16.315 11.038) 19.698 8.231 ( 0.000 12.057 -8.398) 14.693 9.949 ( 0.000 8.796 -5.714) 10.489 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -0.000 0.000 20.529) 20.529 0.485 ( -0.000 0.000 20.529) 20.529 0.855 ( -0.000 0.000 37.176) 37.176 4.544 ( -0.000 0.000 2.169) 2.169 4.544 ( -0.000 0.000 2.169) 2.169 5.906 ( 0.000 -0.000 -6.301) 6.301 5.906 ( 0.000 -0.000 -6.301) 6.301 6.739 ( -0.000 0.000 4.269) 4.269 6.739 ( -0.000 0.000 4.269) 4.269 7.984 ( 0.000 -0.000 -15.197) 15.197 8.648 ( -0.000 0.000 10.398) 10.398 10.716 ( -0.000 0.000 0.443) 0.443 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 14.833 8.564 15.520) 23.113 0.792 ( 14.711 8.494 14.959) 22.635 1.268 ( 22.828 13.180 21.953) 34.304 4.558 ( 1.291 0.745 1.801) 2.338 4.674 ( 8.696 5.021 2.399) 10.324 5.971 ( 4.656 2.688 -5.107) 7.416 6.030 ( 10.724 6.191 -9.744) 15.757 6.718 ( -0.961 -0.555 3.013) 3.211 6.733 ( -1.780 -1.028 4.400) 4.857 7.954 ( -0.063 -0.036 -18.544) 18.545 8.763 ( 2.475 1.429 8.037) 8.530 10.375 ( -21.441 -12.379 8.045) 26.032 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 14.752 8.517 10.230) 19.870 1.209 ( 17.034 9.835 9.569) 21.874 1.941 ( 29.136 16.822 7.401) 34.448 4.622 ( 3.786 2.186 1.550) 4.639 4.949 ( 13.775 7.953 5.046) 16.687 6.074 ( 5.488 3.168 -4.003) 7.495 6.220 ( 7.246 4.183 -3.839) 9.205 6.689 ( -3.213 -1.855 3.540) 5.128 6.760 ( 4.642 2.680 -2.149) 5.775 7.841 ( -3.730 -2.154 -16.227) 16.789 8.733 ( -8.173 -4.718 11.728) 15.053 9.918 ( -19.435 -11.221 -1.426) 22.487 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 13.354 7.710 3.766) 15.873 1.625 ( 16.256 9.385 5.559) 19.576 2.614 ( 27.412 15.826 0.832) 31.664 4.743 ( 6.112 3.529 1.193) 7.158 5.321 ( 15.860 9.157 7.329) 19.725 6.177 ( 3.965 2.289 -2.064) 5.022 6.329 ( 3.331 1.923 -0.545) 3.885 6.627 ( -2.344 -1.353 1.332) 3.017 6.898 ( 7.411 4.279 -5.118) 9.971 7.675 ( -6.076 -3.508 -12.017) 13.915 8.514 ( -13.479 -7.782 13.858) 20.840 9.461 ( -18.214 -10.516 -11.729) 24.081 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 10.205 5.892 -1.209) 11.845 1.986 ( 13.595 7.849 2.798) 15.946 3.194 ( 22.825 13.178 -1.520) 26.399 4.899 ( 6.808 3.931 0.283) 7.867 5.694 ( 13.251 7.650 7.318) 16.961 6.219 ( -0.379 -0.219 1.719) 1.774 6.390 ( 2.613 1.509 -1.640) 3.435 6.622 ( 2.433 1.404 -2.166) 3.547 7.009 ( 3.113 1.797 -6.100) 7.081 7.476 ( -7.952 -4.591 -6.170) 11.063 8.288 ( -9.481 -5.474 13.796) 17.612 9.005 ( -15.937 -9.201 -17.627) 25.483 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 6.122 3.535 -3.832) 8.041 2.266 ( 10.060 5.808 1.500) 11.713 3.646 ( 16.937 9.779 -2.656) 19.737 5.040 ( 5.246 3.029 -0.883) 6.121 5.938 ( 4.960 2.864 4.903) 7.540 6.195 ( -2.002 -1.156 4.336) 4.914 6.444 ( 3.369 1.945 -4.390) 5.866 6.709 ( 5.420 3.129 -3.705) 7.273 7.003 ( -0.428 -0.247 -6.216) 6.236 7.301 ( -5.359 -3.094 -0.307) 6.196 8.138 ( -10.004 -5.776 10.635) 15.702 8.674 ( -5.328 -3.076 -15.060) 16.268 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 2.949 1.703 -4.355) 5.528 2.459 ( 6.185 3.571 1.324) 7.264 3.942 ( 9.768 5.639 -5.446) 12.525 5.131 ( 3.101 1.790 -0.985) 3.713 5.953 ( -3.170 -1.830 2.420) 4.388 6.173 ( -1.439 -0.831 5.002) 5.271 6.537 ( 6.333 3.657 -5.930) 9.415 6.820 ( 4.953 2.860 -3.575) 6.745 6.983 ( 0.570 0.329 -5.845) 5.882 7.242 ( -0.847 -0.489 4.213) 4.325 7.885 ( -12.058 -6.962 4.806) 14.729 8.646 ( 3.585 2.070 -4.779) 6.323 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 1.606 0.927 -3.747) 4.181 2.559 ( 2.018 1.165 1.527) 2.786 4.051 ( 2.265 1.308 -9.401) 9.758 5.184 ( 1.798 1.038 0.140) 2.081 5.906 ( -0.584 -0.337 3.510) 3.574 6.157 ( -1.705 -0.984 4.445) 4.861 6.666 ( 5.977 3.451 -5.851) 9.048 6.897 ( 2.624 1.515 -3.110) 4.342 6.977 ( 0.455 0.263 -5.504) 5.529 7.229 ( -2.388 -1.379 2.097) 3.465 7.719 ( -3.911 -2.258 10.574) 11.498 8.733 ( 4.554 2.629 -0.812) 5.321 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.819 0.473 -3.033) 3.177 2.561 ( -2.434 -1.405 1.580) 3.224 4.000 ( -2.899 -1.674 -10.348) 10.876 5.213 ( 0.276 0.159 1.094) 1.140 5.963 ( 3.568 2.060 4.947) 6.438 6.120 ( -2.663 -1.537 2.942) 4.255 6.723 ( -0.668 -0.385 -3.326) 3.415 6.916 ( -0.062 -0.036 -2.197) 2.198 6.951 ( 0.103 0.060 -9.007) 9.008 7.202 ( 0.439 0.254 5.185) 5.210 7.725 ( -0.449 -0.259 8.179) 8.195 8.867 ( 7.202 4.158 4.350) 9.385 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -1.873 -1.082 -2.930) 3.642 2.455 ( -7.280 -4.203 1.183) 8.489 3.858 ( -6.596 -3.808 -7.430) 10.640 5.189 ( -3.018 -1.742 0.966) 3.616 6.045 ( 0.035 0.020 5.049) 5.049 6.066 ( -2.292 -1.323 0.700) 2.737 6.623 ( -5.582 -3.223 -2.354) 6.862 6.884 ( -2.154 -1.243 -0.739) 2.594 6.950 ( 2.376 1.372 -6.146) 6.731 7.263 ( 2.196 1.268 3.528) 4.345 7.739 ( 1.233 0.712 0.159) 1.432 9.107 ( 10.920 6.305 10.427) 16.362 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -6.997 -4.040 -3.363) 8.751 2.230 ( -12.532 -7.235 0.241) 14.473 3.628 ( -12.275 -7.087 -3.376) 14.570 5.075 ( -6.829 -3.943 0.371) 7.895 5.926 ( -11.980 -6.917 4.384) 14.512 6.033 ( -0.289 -0.167 -1.925) 1.953 6.492 ( -5.061 -2.922 -2.268) 6.269 6.818 ( -3.400 -1.963 0.695) 3.987 7.026 ( 4.847 2.799 -4.124) 6.952 7.321 ( 4.184 2.416 -2.152) 5.289 7.822 ( 6.111 3.528 -0.707) 7.091 9.417 ( 11.846 6.840 11.975) 18.180 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -12.512 -7.224 -3.189) 14.795 1.883 ( -17.348 -10.016 -0.736) 20.046 3.243 ( -21.009 -12.130 -0.092) 24.260 4.901 ( -7.837 -4.524 0.488) 9.062 5.584 ( -17.394 -10.042 2.826) 20.282 6.026 ( 0.329 0.190 -4.859) 4.873 6.369 ( -4.857 -2.804 -2.078) 5.981 6.743 ( -3.191 -1.842 1.817) 4.108 7.044 ( -2.149 -1.241 -3.984) 4.694 7.527 ( 14.291 8.251 -5.513) 17.399 7.997 ( 8.513 4.915 2.116) 10.055 9.715 ( 10.239 5.911 9.459) 15.141 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.000 12.034 14.054) 18.502 0.870 ( -0.000 13.817 19.861) 24.194 1.388 ( -0.000 26.505 20.618) 33.580 4.600 ( -0.000 2.685 3.285) 4.242 4.650 ( 0.000 8.916 1.581) 9.055 5.810 ( 0.000 -0.858 -8.352) 8.396 6.056 ( 0.000 10.606 -5.405) 11.904 6.725 ( -0.000 -1.888 3.154) 3.676 6.763 ( -0.000 -0.989 4.289) 4.402 7.884 ( 0.000 -0.797 -17.572) 17.590 8.791 ( -0.000 2.504 8.152) 8.528 10.449 ( -0.000 -18.667 5.395) 19.431 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 13.782 13.226 9.595) 21.376 1.139 ( 7.639 11.903 16.336) 21.608 1.838 ( 12.380 28.328 9.407) 32.314 4.632 ( 0.002 4.490 2.586) 5.181 4.857 ( 9.320 11.070 3.941) 14.998 5.895 ( 11.198 -0.697 -7.799) 13.664 6.165 ( 3.418 7.434 -2.878) 8.673 6.724 ( -0.116 0.442 0.420) 0.621 6.752 ( -1.158 -0.208 3.086) 3.303 7.791 ( -1.174 -3.564 -16.177) 16.607 8.802 ( -2.400 -5.866 9.948) 11.795 10.134 ( -16.344 -13.350 0.908) 21.123 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 9.836 10.317 7.386) 16.054 1.502 ( 14.074 12.977 7.712) 20.639 2.402 ( 19.218 23.930 1.634) 30.735 4.718 ( 2.953 5.919 2.054) 6.926 5.196 ( 13.581 12.274 6.334) 19.371 6.061 ( 9.811 0.673 -4.786) 10.936 6.279 ( 4.146 3.128 -1.068) 5.302 6.686 ( -3.728 -0.428 2.173) 4.336 6.807 ( 4.888 3.554 -3.912) 7.199 7.658 ( -2.791 -5.147 -13.207) 14.447 8.652 ( -8.346 -12.376 12.432) 19.427 9.682 ( -21.108 -8.901 -7.381) 24.068 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.976 7.412 1.349) 11.719 1.884 ( 12.128 13.164 3.831) 18.305 2.959 ( 20.453 17.803 -1.340) 27.149 4.858 ( 4.678 7.013 1.215) 8.517 5.582 ( 13.574 11.139 6.835) 18.842 6.189 ( 4.557 1.208 -0.431) 4.734 6.364 ( 3.318 2.695 -2.250) 4.831 6.634 ( -2.521 1.356 0.481) 2.903 6.920 ( 5.899 1.671 -6.473) 8.916 7.498 ( -4.363 -6.466 -8.741) 11.715 8.413 ( -8.719 -11.892 13.474) 19.974 9.191 ( -21.400 -7.039 -13.928) 26.486 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.844 4.518 -2.943) 8.713 2.202 ( 8.769 12.074 1.885) 15.041 3.435 ( 17.961 11.829 -2.257) 21.624 5.011 ( 4.119 7.270 -0.056) 8.356 5.896 ( 8.268 7.507 5.144) 12.295 6.245 ( -0.041 2.176 3.147) 3.826 6.422 ( 0.830 3.253 -3.792) 5.064 6.653 ( 2.430 3.102 -2.364) 4.595 6.967 ( 2.147 -0.426 -7.482) 7.795 7.330 ( -4.114 -6.464 -3.047) 8.246 8.249 ( -5.590 -8.679 13.287) 16.826 8.744 ( -14.847 -4.477 -15.710) 22.074 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 4.212 2.187 -4.644) 6.640 2.440 ( 5.013 10.460 1.460) 11.691 3.782 ( 12.699 6.068 -4.191) 14.685 5.137 ( 2.019 7.628 -0.851) 7.936 6.017 ( -1.879 2.470 2.764) 4.156 6.265 ( -3.429 4.851 4.970) 7.746 6.458 ( 3.443 2.955 -5.995) 7.519 6.732 ( 4.477 1.212 -3.335) 5.713 6.977 ( 1.375 3.251 -6.707) 7.579 7.240 ( 0.186 -3.707 2.351) 4.394 8.035 ( -12.320 -9.320 5.073) 16.260 8.577 ( 1.830 -0.444 -5.392) 5.711 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.471 1.067 -4.563) 5.297 2.592 ( 0.833 8.654 1.844) 8.887 3.954 ( 5.842 0.829 -7.824) 9.800 5.229 ( -0.484 8.701 -0.705) 8.743 5.962 ( -4.494 0.729 2.602) 5.243 6.268 ( -4.959 6.524 5.082) 9.643 6.560 ( 6.708 3.030 -6.717) 9.965 6.796 ( 4.720 -1.832 -2.458) 5.628 7.011 ( -0.874 5.589 -6.842) 8.877 7.252 ( 0.685 -1.000 3.549) 3.751 7.795 ( -6.308 -6.686 7.934) 12.142 8.641 ( 5.906 -0.975 -1.135) 6.093 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 1.645 0.637 -3.861) 4.245 2.651 ( -3.839 6.763 2.237) 8.092 3.959 ( 0.340 -2.554 -10.124) 10.447 5.281 ( -3.108 7.759 -0.028) 8.358 5.960 ( 1.145 2.735 3.963) 4.950 6.251 ( -6.794 6.589 4.239) 10.370 6.667 ( 4.864 0.929 -5.398) 7.325 6.852 ( 4.602 -1.011 -2.362) 5.271 6.974 ( -4.443 1.577 -7.742) 9.065 7.247 ( -1.742 1.655 3.274) 4.061 7.748 ( 0.209 -4.000 11.648) 12.317 8.749 ( 8.735 -1.130 1.120) 8.879 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.002 -0.527 -3.400) 3.440 2.606 ( -8.960 4.527 2.074) 10.251 3.865 ( -2.780 -4.279 -8.791) 10.165 5.271 ( -5.115 4.009 0.536) 6.521 6.052 ( 2.020 4.129 3.257) 5.633 6.200 ( -7.373 6.028 3.410) 10.116 6.669 ( -3.080 -1.320 -2.704) 4.307 6.884 ( -1.193 -0.831 -6.871) 7.023 6.910 ( 2.107 1.245 -2.380) 3.414 7.267 ( 0.170 1.265 3.750) 3.961 7.734 ( -0.842 -3.266 4.689) 5.776 8.954 ( 13.875 0.356 6.264) 15.228 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -4.015 -2.892 -3.297) 5.946 2.442 ( -14.354 1.617 1.129) 14.488 3.711 ( -6.763 -5.757 -5.341) 10.364 5.182 ( -7.715 0.108 0.304) 7.722 6.064 ( -5.590 1.705 1.220) 5.971 6.141 ( -8.457 3.922 3.689) 10.026 6.558 ( -6.015 -0.626 -2.691) 6.619 6.841 ( -1.428 -1.640 -1.317) 2.543 6.963 ( 3.855 3.194 -4.334) 6.621 7.277 ( 0.791 -1.457 -0.544) 1.745 7.748 ( 4.350 0.380 0.732) 4.427 9.255 ( 15.966 0.980 8.668) 18.194 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -9.578 -5.084 -2.645) 11.162 2.153 ( -19.417 -1.258 -0.056) 19.458 3.452 ( -14.652 -7.773 -2.219) 16.734 5.021 ( -9.469 -1.853 0.317) 9.654 5.840 ( -18.484 -4.567 3.433) 19.347 6.067 ( -4.493 3.718 -1.085) 5.932 6.444 ( -6.050 0.512 -2.943) 6.747 6.782 ( -2.996 -1.780 0.633) 3.542 7.035 ( 1.075 0.620 -4.871) 5.026 7.350 ( 10.449 3.338 -4.007) 11.679 7.889 ( 8.843 2.718 1.797) 9.424 9.559 ( 14.833 -0.054 6.714) 16.282 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.000 17.805 8.332) 19.658 1.260 ( -0.000 11.115 17.319) 20.578 2.076 ( 0.000 31.382 4.994) 31.777 4.693 ( -0.000 4.098 3.407) 5.329 4.918 ( 0.000 15.941 3.731) 16.372 5.764 ( 0.000 2.258 -7.311) 7.652 6.202 ( 0.000 6.034 0.126) 6.035 6.733 ( 0.000 2.128 -2.072) 2.970 6.766 ( -0.000 -1.319 3.153) 3.418 7.701 ( 0.000 -5.065 -14.526) 15.383 8.781 ( -0.000 -10.669 10.331) 14.851 10.141 ( -0.000 -13.377 -2.604) 13.628 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 8.123 16.030 6.175) 19.002 1.467 ( 6.727 10.791 12.094) 17.549 2.451 ( 6.968 28.669 -0.132) 29.504 4.757 ( 1.093 5.773 2.837) 6.525 5.173 ( 7.378 17.111 5.137) 19.329 5.868 ( 10.080 3.208 -5.288) 11.826 6.268 ( 1.312 3.524 1.544) 4.065 6.738 ( -1.606 0.809 -0.539) 1.877 6.771 ( 1.450 1.680 -2.149) 3.089 7.586 ( -1.084 -6.322 -11.958) 13.570 8.652 ( -3.615 -16.398 10.827) 19.980 9.879 ( -13.659 -9.726 -7.386) 18.323 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 5.300 7.960 4.025) 10.375 1.836 ( 12.387 15.856 4.844) 20.696 2.868 ( 12.003 22.354 -2.335) 25.480 4.873 ( 3.340 7.624 2.123) 8.590 5.517 ( 10.631 15.476 4.714) 19.358 6.084 ( 10.323 4.550 -1.398) 11.368 6.327 ( 2.288 2.136 0.296) 3.144 6.704 ( -2.893 1.383 -0.016) 3.207 6.822 ( 3.808 1.140 -5.979) 7.180 7.450 ( -2.299 -7.453 -8.634) 11.635 8.436 ( -5.371 -17.048 11.054) 21.015 9.456 ( -20.865 -6.793 -11.614) 24.827 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 5.402 5.051 -1.212) 7.494 2.198 ( 9.408 15.699 2.455) 18.466 3.277 ( 14.166 14.955 -2.114) 20.707 5.028 ( 3.997 8.778 1.018) 9.698 5.849 ( 9.393 12.075 2.630) 15.523 6.255 ( 3.573 4.312 3.195) 6.447 6.410 ( 3.836 4.266 -3.202) 6.570 6.681 ( -1.897 3.332 -1.362) 4.069 6.866 ( 4.435 -1.641 -7.311) 8.707 7.300 ( -2.875 -8.046 -4.562) 9.685 8.256 ( -2.509 -12.877 11.971) 17.760 8.972 ( -21.741 -4.871 -13.744) 26.178 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 4.373 2.683 -3.977) 6.492 2.487 ( 5.532 15.011 1.498) 16.068 3.618 ( 12.386 8.065 -2.302) 14.958 5.184 ( 3.041 9.960 -0.051) 10.414 6.068 ( 2.746 7.757 0.652) 8.255 6.349 ( 1.717 4.623 2.769) 5.656 6.468 ( -1.536 4.913 -3.303) 6.116 6.691 ( 0.585 1.983 -2.977) 3.624 6.919 ( 5.646 1.748 -6.310) 8.646 7.188 ( -0.019 -5.981 -0.380) 5.993 8.131 ( -6.105 -11.074 9.035) 15.541 8.592 ( -9.771 -2.068 -9.207) 13.584 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 3.137 1.418 -4.552) 5.707 2.698 ( 1.426 13.963 1.896) 14.163 3.829 ( 7.272 2.100 -4.489) 8.800 5.332 ( 1.297 12.293 -0.774) 12.385 6.084 ( -6.141 3.059 0.081) 6.861 6.434 ( 1.294 5.414 0.642) 5.603 6.485 ( -0.762 6.901 -2.036) 7.235 6.711 ( 2.233 -0.852 -1.984) 3.106 7.036 ( 3.386 6.975 -6.735) 10.270 7.187 ( 4.913 -3.846 3.513) 7.161 7.880 ( -10.288 -9.061 3.962) 14.270 8.529 ( 3.561 -2.902 -0.529) 4.624 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.228 1.071 -4.051) 4.746 2.825 ( -3.262 12.676 2.827) 13.391 3.882 ( 1.844 -2.161 -7.193) 7.733 5.448 ( -3.241 13.353 -1.496) 13.822 6.012 ( -3.121 2.538 1.905) 4.451 6.467 ( -5.809 7.139 2.082) 9.436 6.571 ( 4.884 4.325 -4.635) 8.003 6.758 ( 4.475 -0.336 0.548) 4.521 7.052 ( -4.526 3.681 -7.477) 9.484 7.276 ( 3.048 1.225 2.277) 3.997 7.723 ( -0.506 -7.302 9.330) 11.859 8.581 ( 6.820 -4.718 0.292) 8.298 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.963 0.587 -3.449) 3.629 2.851 ( -8.816 10.602 3.169) 14.148 3.822 ( -1.069 -4.286 -7.748) 8.919 5.450 ( -8.304 8.528 -0.779) 11.928 6.075 ( 3.063 6.789 2.021) 7.717 6.409 ( -7.537 4.313 1.801) 8.869 6.674 ( 3.039 4.045 -2.877) 5.820 6.845 ( 3.166 2.293 -0.676) 3.968 6.937 ( -6.320 0.140 -5.497) 8.377 7.303 ( -1.390 1.226 0.932) 2.074 7.715 ( 1.027 -6.381 8.119) 10.377 8.705 ( 13.308 -4.562 2.372) 14.267 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.914 -0.580 -2.998) 3.604 2.746 ( -14.658 6.797 2.065) 16.289 3.720 ( -2.880 -4.472 -5.453) 7.617 5.349 ( -9.665 3.173 -0.006) 10.173 6.187 ( -1.959 7.487 0.566) 7.760 6.328 ( -6.551 2.959 2.664) 7.666 6.688 ( -7.056 4.719 -1.083) 8.557 6.825 ( 0.385 0.020 -6.290) 6.302 6.926 ( 1.579 1.855 -0.343) 2.460 7.262 ( -2.145 -3.498 -0.661) 4.156 7.693 ( 1.575 -2.909 3.350) 4.708 8.960 ( 18.555 -3.969 4.439) 19.487 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -6.488 -1.478 -2.111) 6.981 2.500 ( -19.349 2.541 0.477) 19.521 3.576 ( -7.956 -3.950 -2.825) 9.321 5.189 ( -10.615 0.292 0.215) 10.622 6.111 ( -12.830 1.685 0.484) 12.949 6.227 ( -8.860 1.338 3.295) 9.547 6.578 ( -8.364 4.403 -3.346) 10.027 6.827 ( -2.453 1.684 -1.017) 3.144 6.976 ( 3.959 0.371 -4.750) 6.195 7.216 ( 4.278 -2.159 -2.653) 5.477 7.774 ( 7.141 0.902 2.835) 7.736 9.257 ( 18.665 -4.956 2.426) 19.464 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 0.000 19.659 5.059) 20.299 1.552 ( -0.000 7.781 10.571) 13.126 2.677 ( 0.000 27.523 -2.687) 27.653 4.807 ( -0.000 5.129 2.092) 5.539 5.330 ( 0.000 21.244 6.063) 22.092 5.802 ( 0.000 5.527 -3.305) 6.440 6.300 ( -0.000 2.648 3.004) 4.004 6.760 ( -0.000 -0.782 1.083) 1.336 6.761 ( 0.000 3.130 -6.422) 7.144 7.488 ( 0.000 -7.131 -9.378) 11.781 8.537 ( -0.000 -19.779 9.284) 21.850 9.871 ( 0.000 -9.468 -9.790) 13.620 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.772 6.496 5.083) 8.436 1.828 ( 8.977 18.157 4.118) 20.669 2.954 ( 4.051 22.898 -3.619) 23.534 4.894 ( 2.951 6.191 1.426) 7.005 5.592 ( 3.086 20.187 4.708) 20.957 5.954 ( 9.901 7.407 0.027) 12.365 6.334 ( 0.265 1.787 2.722) 3.267 6.747 ( -1.019 0.824 -1.375) 1.900 6.769 ( 0.983 0.694 -6.550) 6.659 7.376 ( -1.172 -7.675 -6.371) 10.044 8.348 ( -1.937 -19.445 8.056) 21.137 9.633 ( -12.063 -8.040 -12.026) 18.835 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 2.958 4.479 0.080) 5.368 2.193 ( 10.802 16.879 2.469) 20.191 3.240 ( 7.491 16.490 -2.421) 18.272 5.037 ( 4.962 7.499 0.935) 9.040 5.860 ( 5.682 15.872 1.209) 16.901 6.222 ( 8.818 7.687 3.231) 12.136 6.380 ( 2.516 3.497 0.580) 4.347 6.733 ( -1.210 1.632 -5.348) 5.721 6.761 ( 2.027 -1.835 -4.208) 5.018 7.250 ( -2.354 -7.320 -3.462) 8.433 8.177 ( -0.656 -15.042 8.451) 17.266 9.235 ( -19.312 -6.443 -13.070) 24.193 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 3.374 2.710 -2.901) 5.210 2.533 ( 8.334 16.226 1.148) 18.277 3.513 ( 9.153 9.694 -0.892) 13.362 5.211 ( 5.242 9.012 0.450) 10.436 6.090 ( 4.692 10.779 -1.826) 11.896 6.368 ( 1.847 4.029 3.133) 5.428 6.510 ( 3.330 7.140 -0.886) 7.929 6.689 ( 0.469 -2.218 -6.502) 6.885 6.814 ( 4.570 3.179 -2.605) 6.146 7.141 ( -1.588 -4.805 -1.107) 5.180 8.087 ( 0.644 -11.619 9.190) 14.828 8.790 ( -18.879 -4.216 -11.420) 22.463 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.190 1.702 -3.753) 5.211 2.808 ( 4.487 15.774 1.062) 16.434 3.720 ( 7.105 3.421 -1.232) 7.982 5.401 ( 4.747 11.700 0.009) 12.626 6.197 ( -1.142 5.367 -3.064) 6.285 6.407 ( -0.123 1.269 -2.730) 3.013 6.616 ( 0.876 9.094 3.625) 9.829 6.688 ( 0.595 0.977 -3.287) 3.481 6.940 ( 8.159 1.961 -2.006) 8.628 7.113 ( 1.543 0.098 -1.360) 2.060 7.961 ( -6.775 -10.636 4.816) 13.499 8.501 ( -5.911 -2.826 -3.702) 7.525 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 2.704 1.478 -3.432) 4.612 3.008 ( 0.066 15.136 2.180) 15.292 3.805 ( 2.602 -1.677 -3.375) 4.580 5.601 ( 2.428 14.985 -0.984) 15.212 6.137 ( -7.544 2.720 -1.230) 8.114 6.440 ( 4.682 0.313 -4.111) 6.239 6.659 ( -3.065 0.561 -2.301) 3.874 6.746 ( 0.863 9.866 5.123) 11.150 7.135 ( 11.100 2.284 -1.180) 11.394 7.139 ( -0.168 1.867 -2.020) 2.755 7.739 ( -7.252 -7.827 3.733) 11.304 8.445 ( 2.547 -5.482 0.763) 6.093 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 1.790 1.376 -2.926) 3.696 3.117 ( -5.779 13.546 3.361) 15.106 3.767 ( -0.541 -4.716 -5.229) 7.062 5.704 ( -8.416 12.417 -1.863) 15.116 6.097 ( 1.491 5.428 0.650) 5.667 6.494 ( 0.604 -0.067 -2.340) 2.417 6.624 ( 1.940 -0.883 -2.158) 3.034 6.871 ( 1.170 7.588 4.022) 8.668 7.084 ( -8.303 5.783 -4.174) 10.945 7.304 ( 4.461 0.131 -0.788) 4.532 7.633 ( 1.560 -7.340 6.605) 9.996 8.465 ( 7.472 -6.915 0.931) 10.224 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.093 0.956 -2.588) 2.760 3.077 ( -13.276 8.315 2.352) 15.841 3.693 ( -0.618 -3.375 -3.934) 5.220 5.581 ( -12.778 4.756 -0.477) 13.643 6.256 ( 4.289 10.273 -0.634) 11.150 6.442 ( -4.789 -0.047 1.060) 4.906 6.680 ( 6.093 -2.357 -3.360) 7.346 6.902 ( -4.931 0.096 -4.072) 6.395 7.017 ( -6.109 11.895 3.103) 13.727 7.271 ( -3.953 -4.188 -2.828) 6.416 7.639 ( 2.744 -5.170 5.108) 7.769 8.607 ( 16.028 -6.326 1.368) 17.286 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -3.190 0.729 -2.060) 3.866 2.852 ( -18.114 1.767 0.157) 18.200 3.643 ( -3.205 0.211 -1.192) 3.426 5.392 ( -12.082 1.149 0.088) 12.137 6.316 ( -7.523 3.792 0.372) 8.433 6.368 ( -5.161 0.565 0.890) 5.268 6.741 ( -2.549 0.243 -3.061) 3.990 6.803 ( 2.933 2.283 -4.712) 6.002 7.021 ( -9.039 5.335 -0.022) 10.496 7.133 ( 0.160 -5.224 -2.737) 5.900 7.689 ( 4.847 -0.290 4.677) 6.742 8.862 ( 19.496 -6.824 -1.004) 20.680 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 4.600 3.184) 5.594 1.945 ( 0.000 18.474 2.882) 18.697 3.123 ( 0.000 19.611 -3.760) 19.968 4.926 ( 0.000 5.953 0.210) 5.957 5.815 ( 0.000 21.492 5.487) 22.181 5.931 ( 0.000 7.808 1.602) 7.971 6.361 ( -0.000 1.573 3.372) 3.721 6.739 ( 0.000 -0.360 -8.824) 8.831 6.751 ( 0.000 -0.037 -1.408) 1.408 7.296 ( 0.000 -6.618 -3.331) 7.409 8.198 ( -0.000 -17.819 5.664) 18.698 9.607 ( 0.000 -8.810 -13.184) 15.857 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.065 3.273 -0.022) 3.442 2.201 ( 7.701 16.530 1.872) 18.331 3.306 ( 2.606 14.632 -2.234) 15.030 5.023 ( 4.079 6.389 -0.298) 7.586 5.975 ( -0.215 14.067 1.929) 14.201 6.157 ( 9.248 10.149 3.496) 14.169 6.397 ( 0.644 3.224 3.466) 4.777 6.680 ( -0.375 -4.403 -8.903) 9.940 6.751 ( 0.692 0.954 -2.525) 2.786 7.223 ( -1.804 -3.074 -0.853) 3.665 8.061 ( 0.197 -12.851 5.171) 13.854 9.374 ( -10.507 -8.633 -13.637) 19.259 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 1.970 2.240 -2.002) 3.592 2.526 ( 10.491 14.899 0.609) 18.232 3.487 ( 4.916 9.135 0.044) 10.374 5.185 ( 6.763 7.141 -0.293) 9.840 6.119 ( 2.416 8.787 -1.673) 9.266 6.372 ( 5.153 4.664 4.318) 8.182 6.502 ( 4.046 6.256 -0.631) 7.477 6.593 ( 1.180 -5.658 -5.886) 8.249 6.793 ( 3.245 3.557 -2.321) 5.345 7.165 ( -3.971 1.234 0.267) 4.167 7.990 ( 1.098 -8.617 5.989) 10.551 9.005 ( -16.258 -7.309 -12.248) 21.628 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 2.606 1.756 -2.396) 3.952 2.844 ( 9.090 14.226 -0.269) 16.884 3.647 ( 5.436 3.578 1.281) 6.633 5.394 ( 8.102 9.165 0.097) 12.234 6.201 ( 2.356 2.388 -3.669) 4.971 6.431 ( -1.830 -0.760 -2.891) 3.505 6.593 ( 8.353 0.369 1.125) 8.436 6.665 ( 3.082 6.211 1.502) 7.094 6.914 ( 3.539 7.673 -3.239) 9.049 7.114 ( -3.033 2.445 -0.012) 3.896 7.936 ( -1.253 -8.481 4.820) 9.835 8.633 ( -13.884 -4.601 -7.419) 16.400 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 2.755 1.758 -1.985) 3.824 3.114 ( 5.690 14.003 0.144) 15.116 3.735 ( 2.826 -1.701 0.361) 3.318 5.645 ( 8.086 12.472 0.095) 14.864 6.237 ( 0.533 0.974 -2.568) 2.798 6.373 ( -0.684 -2.084 -2.407) 3.257 6.686 ( 0.093 0.921 -1.950) 2.159 6.841 ( 7.646 6.758 6.491) 12.094 6.955 ( -1.711 3.126 -1.545) 3.884 7.174 ( 3.725 6.626 -4.002) 8.591 7.790 ( -6.020 -8.824 2.099) 10.887 8.417 ( -5.107 -3.802 -1.078) 6.458 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 2.295 1.801 -1.628) 3.341 3.314 ( 0.645 13.615 1.727) 13.739 3.708 ( -0.560 -6.120 -1.934) 6.443 5.898 ( 3.491 14.934 -0.898) 15.363 6.177 ( -6.673 1.991 -0.605) 6.990 6.391 ( 6.246 -3.528 -1.876) 7.415 6.633 ( -4.012 -0.728 -0.098) 4.079 6.947 ( -1.503 5.229 -0.484) 5.462 7.107 ( 13.738 -1.046 4.570) 14.516 7.252 ( -2.233 8.076 -4.857) 9.685 7.624 ( -4.682 -5.929 2.205) 7.870 8.333 ( 0.517 -5.798 0.719) 5.865 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.137 1.620 -1.638) 2.569 3.361 ( -9.919 6.068 1.479) 11.721 3.644 ( 1.884 -2.441 -1.827) 3.584 5.874 ( -15.048 5.160 -0.457) 15.914 6.251 ( 6.895 9.467 -1.305) 11.784 6.458 ( 5.539 -3.708 -2.017) 6.964 6.572 ( -1.869 -1.770 2.978) 3.936 6.947 ( -1.780 1.164 -3.528) 4.119 7.215 ( -3.943 0.316 -4.145) 5.730 7.299 ( 0.752 5.742 3.622) 6.831 7.539 ( 1.456 -5.400 2.507) 6.129 8.343 ( 7.517 -5.060 0.609) 9.082 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -0.700 1.519 -1.759) 2.427 3.135 ( -15.151 -3.686 -1.074) 15.630 3.693 ( 0.250 4.976 1.192) 5.123 5.634 ( -14.875 0.742 0.255) 14.896 6.400 ( 1.517 1.062 -3.217) 3.712 6.461 ( -3.808 0.571 1.723) 4.219 6.598 ( 7.157 -0.596 0.653) 7.211 6.886 ( -4.354 1.632 -5.215) 6.987 7.084 ( -4.813 -7.756 -4.068) 9.993 7.269 ( -9.400 7.055 0.849) 11.783 7.605 ( 6.960 -1.741 4.712) 8.584 8.496 ( 14.376 -3.824 -1.598) 14.961 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.000 2.233 -0.944) 2.425 2.292 ( 0.000 14.477 1.159) 14.524 3.407 ( 0.000 10.803 -0.930) 10.843 5.045 ( 0.000 6.134 -1.031) 6.220 6.122 ( -0.000 8.534 4.644) 9.716 6.162 ( 0.000 8.712 -0.092) 8.712 6.445 ( -0.000 4.468 5.335) 6.959 6.593 ( 0.000 -7.211 -9.183) 11.676 6.734 ( 0.000 0.011 -3.329) 3.329 7.246 ( 0.000 3.898 0.851) 3.990 7.974 ( -0.000 -7.043 3.849) 8.026 9.319 ( 0.000 -10.213 -13.979) 17.313 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.852 1.675 -1.257) 2.260 2.497 ( 7.734 12.056 0.204) 14.325 3.511 ( 1.943 6.604 1.139) 6.978 5.142 ( 4.741 5.959 -1.119) 7.697 6.168 ( -1.078 3.929 -0.846) 4.161 6.319 ( 7.206 5.272 3.227) 9.494 6.483 ( -0.488 -5.146 -8.017) 9.539 6.530 ( 2.276 3.324 5.127) 6.520 6.745 ( 2.812 0.361 -2.881) 4.042 7.284 ( -3.158 7.419 0.487) 8.078 7.950 ( -0.355 -0.743 3.995) 4.079 9.087 ( -8.391 -10.421 -12.831) 18.537 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 1.747 1.670 -0.668) 2.508 2.781 ( 11.642 10.502 -1.022) 15.712 3.611 ( 3.240 2.574 2.937) 5.075 5.318 ( 8.897 6.456 -0.523) 11.005 6.165 ( 0.598 -1.448 -2.981) 3.368 6.413 ( -0.375 -2.034 -4.947) 5.362 6.500 ( 6.036 2.941 4.473) 8.068 6.652 ( 5.451 5.349 1.503) 7.784 6.835 ( 7.755 1.513 -0.964) 7.960 7.275 ( -6.315 7.062 -0.529) 9.489 7.941 ( -3.607 0.965 2.463) 4.473 8.769 ( -11.531 -8.244 -8.864) 16.718 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 2.333 1.923 0.095) 3.025 3.080 ( 11.474 9.760 -1.748) 15.165 3.680 ( 2.248 -1.513 3.248) 4.230 5.573 ( 12.014 8.106 0.435) 14.500 6.157 ( 2.880 -3.558 -2.273) 5.111 6.385 ( -1.235 0.764 -1.516) 2.099 6.616 ( 5.323 -0.301 0.896) 5.406 6.803 ( 4.182 4.447 3.630) 7.102 7.026 ( 9.679 4.792 -2.745) 11.144 7.213 ( -7.201 6.278 -0.544) 9.569 7.829 ( -7.894 -3.590 -0.681) 8.699 8.506 ( -8.916 -3.824 -2.887) 10.122 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.303 2.006 0.365) 3.076 3.348 ( 9.158 9.167 -1.310) 13.024 3.664 ( -1.520 -5.522 1.880) 6.028 5.881 ( 12.447 9.436 0.603) 15.631 6.179 ( 4.525 -4.502 -0.688) 6.420 6.357 ( -4.014 1.907 0.788) 4.513 6.672 ( 1.115 -0.467 -3.583) 3.781 6.904 ( 4.291 -1.269 4.390) 6.269 7.100 ( -4.905 6.962 1.937) 8.734 7.278 ( 6.154 6.387 -4.523) 9.956 7.646 ( -5.816 -6.215 0.144) 8.513 8.345 ( -6.114 -2.326 -0.378) 6.553 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 1.649 1.813 -0.000) 2.451 3.527 ( -6.172 -9.140 -0.007) 11.029 3.568 ( 6.064 8.877 0.002) 10.751 6.153 ( -8.463 5.207 0.651) 9.957 6.160 ( 10.873 -2.663 -0.669) 11.215 6.315 ( 1.362 1.073 0.221) 1.748 6.637 ( -2.388 0.714 -0.117) 2.495 6.944 ( 0.942 -2.150 -1.537) 2.806 7.158 ( 4.366 1.307 3.236) 5.590 7.363 ( -1.436 4.893 -2.595) 5.721 7.533 ( -1.832 -4.415 0.820) 4.850 8.257 ( -0.950 -1.112 -0.006) 1.463 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.565 1.612 -0.718) 1.853 3.281 ( -10.321 -10.401 -0.910) 14.681 3.736 ( 3.328 8.053 1.120) 8.786 5.910 ( -16.121 -1.914 0.707) 16.250 6.253 ( 6.610 -9.976 -1.829) 12.106 6.452 ( 5.199 7.480 -1.267) 9.197 6.628 ( -1.949 2.847 4.420) 5.607 6.888 ( -1.563 -5.313 -3.952) 6.803 7.150 ( -6.751 1.021 -3.546) 7.694 7.438 ( 4.140 1.199 5.183) 6.741 7.447 ( -0.859 -3.818 -2.018) 4.403 8.312 ( 6.069 2.499 -0.234) 6.568 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 1.447 -0.160) 1.456 2.529 ( 0.000 8.832 -0.226) 8.835 3.553 ( -0.000 3.659 2.707) 4.552 5.149 ( 0.000 5.029 -1.365) 5.211 6.186 ( 0.000 -2.931 -3.291) 4.407 6.314 ( -0.000 6.766 3.599) 7.663 6.418 ( 0.000 -1.971 -5.489) 5.832 6.565 ( -0.000 1.893 6.662) 6.926 6.705 ( 0.000 -0.353 -2.760) 2.782 7.380 ( 0.000 5.628 -1.082) 5.731 8.016 ( -0.000 9.141 3.353) 9.737 8.996 ( 0.000 -12.243 -12.055) 17.182 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.882 1.693 1.279) 2.297 2.677 ( 8.469 6.279 -1.094) 10.599 3.604 ( 1.453 1.265 4.315) 4.725 5.238 ( 5.600 4.279 -0.999) 7.119 6.132 ( -0.506 -2.876 -3.611) 4.644 6.403 ( -0.243 1.772 -1.912) 2.618 6.435 ( 5.795 2.810 0.907) 6.504 6.621 ( 3.026 1.806 4.927) 6.058 6.734 ( 3.939 -0.029 0.697) 4.000 7.394 ( -2.207 2.881 -2.232) 4.261 8.099 ( -5.182 11.509 0.170) 12.623 8.788 ( -5.300 -10.401 -8.138) 14.230 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 1.624 2.010 2.329) 3.479 2.920 ( 13.422 4.373 -2.188) 14.285 3.652 ( 1.475 -0.900 5.028) 5.316 5.421 ( 11.169 3.467 0.077) 11.695 6.097 ( 0.386 -1.126 -2.773) 3.017 6.420 ( -0.731 3.295 0.732) 3.453 6.535 ( 4.415 -1.024 1.365) 4.733 6.773 ( 7.233 5.245 0.998) 8.991 6.835 ( 9.081 -2.145 2.587) 9.683 7.357 ( -3.796 1.944 -1.948) 4.689 8.012 ( -12.319 3.246 -5.252) 13.780 8.600 ( -6.667 -2.017 -1.599) 7.146 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 1.923 1.949 2.494) 3.703 3.185 ( 14.074 1.665 -2.516) 14.394 3.659 ( -0.796 -2.497 4.021) 4.799 5.673 ( 14.738 -0.346 0.909) 14.770 6.115 ( 2.065 2.792 -0.907) 3.589 6.441 ( -1.648 3.526 2.305) 4.523 6.595 ( 3.663 -1.551 -0.023) 3.978 6.875 ( 1.910 -0.193 4.096) 4.523 7.061 ( 14.490 1.184 -2.863) 14.817 7.292 ( -4.506 0.663 0.667) 4.603 7.768 ( -12.441 -1.336 -4.977) 13.466 8.474 ( -8.878 2.577 0.055) 9.245 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 1.717 1.586 1.833) 2.970 3.373 ( 8.634 -7.470 -0.603) 11.433 3.629 ( -0.980 2.540 0.835) 2.848 5.871 ( 12.541 -9.874 0.188) 15.962 6.235 ( 4.151 9.359 1.480) 10.344 6.430 ( -5.605 3.173 2.910) 7.068 6.616 ( 1.778 -1.722 -5.029) 5.605 6.901 ( 1.633 -2.263 4.727) 5.489 7.170 ( -2.300 -2.498 3.845) 5.130 7.336 ( 9.743 0.864 -2.700) 10.147 7.567 ( -8.445 0.093 -2.560) 8.825 8.348 ( -8.174 3.594 -0.330) 8.936 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -0.000 1.954 3.111) 3.674 2.639 ( 0.000 2.798 -1.230) 3.056 3.618 ( -0.000 0.420 5.717) 5.733 5.219 ( 0.000 2.743 -1.030) 2.930 6.101 ( 0.000 -0.954 -3.882) 3.997 6.386 ( 0.000 -0.664 -3.233) 3.301 6.438 ( -0.000 4.389 1.298) 4.577 6.619 ( -0.000 -1.418 7.212) 7.350 6.718 ( -0.000 2.371 2.815) 3.681 7.415 ( 0.000 0.819 -3.538) 3.631 8.254 ( 0.000 7.185 -6.066) 9.403 8.725 ( 0.000 -3.699 -2.427) 4.424 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 0.739 2.030 4.171) 4.697 2.730 ( 9.101 0.051 -1.867) 9.291 3.649 ( 0.590 -0.361 6.507) 6.543 5.290 ( 6.155 1.189 -0.361) 6.279 6.088 ( -0.211 1.547 -3.331) 3.678 6.404 ( 5.526 -3.316 -3.682) 7.422 6.497 ( 0.096 5.565 3.498) 6.574 6.658 ( 4.411 -2.330 5.861) 7.697 6.783 ( 2.391 2.594 4.248) 5.521 7.395 ( -1.342 0.318 -3.786) 4.029 8.151 ( -6.711 -6.767 -10.477) 14.163 8.731 ( -4.578 9.847 2.307) 11.102 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 1.244 1.449 4.100) 4.523 2.916 ( 14.160 -3.117 -2.395) 14.696 3.666 ( -0.328 -1.446 5.644) 5.836 5.437 ( 10.591 -2.300 0.524) 10.851 6.118 ( 1.941 4.588 -1.800) 5.297 6.448 ( 3.460 -2.883 -1.474) 4.739 6.576 ( 0.566 4.919 5.604) 7.478 6.779 ( 10.753 -4.969 3.393) 12.322 6.869 ( 3.925 2.824 1.609) 5.096 7.344 ( -2.858 -1.497 -2.221) 3.917 7.898 ( -8.516 -7.406 -7.873) 13.761 8.720 ( -10.603 11.703 1.177) 15.836 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.587 0.596 3.139) 3.567 3.098 ( 13.025 -8.563 -1.431) 15.653 3.656 ( -0.633 -0.673 2.677) 2.832 5.576 ( 10.638 -8.238 0.372) 13.460 6.248 ( 5.470 8.102 0.973) 9.824 6.459 ( 2.364 -3.146 -1.843) 4.346 6.632 ( -2.570 4.090 5.089) 7.016 6.852 ( 2.957 -5.155 4.740) 7.602 7.052 ( 13.406 0.562 -3.091) 13.769 7.243 ( -3.938 -6.336 2.245) 7.791 7.697 ( -6.559 -0.947 -5.362) 8.524 8.613 ( -13.950 10.419 0.300) 17.414 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.000 1.654 5.163) 5.422 2.624 ( 0.000 -3.178 -1.755) 3.631 3.668 ( -0.000 -0.438 7.531) 7.544 5.239 ( 0.000 -0.291 -0.313) 0.428 6.108 ( 0.000 3.786 -3.368) 5.067 6.274 ( 0.000 -5.944 -5.520) 8.112 6.566 ( -0.000 3.056 4.534) 5.468 6.634 ( -0.000 -0.317 8.760) 8.766 6.804 ( -0.000 2.362 4.139) 4.766 7.392 ( 0.000 -0.047 -4.632) 4.633 8.054 ( 0.000 -13.200 -10.183) 16.672 8.926 ( 0.000 16.374 1.801) 16.472 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.338 0.298 4.951) 4.971 2.653 ( 9.035 -6.256 -1.933) 11.158 3.682 ( -0.497 -1.773 7.079) 7.315 5.275 ( 5.374 -2.707 0.219) 6.021 6.121 ( 0.505 2.459 -3.089) 3.981 6.288 ( 7.976 -4.016 -4.102) 9.827 6.595 ( 2.966 -2.770 3.450) 5.327 6.692 ( -0.508 3.905 9.158) 9.969 6.854 ( 1.935 1.314 3.331) 4.070 7.354 ( -1.666 -2.192 -3.761) 4.661 7.871 ( -2.917 -9.687 -7.143) 12.384 9.030 ( -7.435 16.078 -0.186) 17.715 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 1.076 -1.477 3.712) 4.137 2.766 ( 13.145 -10.140 -1.626) 16.681 3.663 ( -0.966 -3.288 4.709) 5.824 5.347 ( 7.539 -6.615 0.276) 10.034 6.195 ( 6.392 1.661 -1.004) 6.680 6.357 ( 4.610 -3.783 -2.405) 6.430 6.671 ( 8.550 -4.772 1.946) 9.983 6.748 ( -0.581 3.264 7.720) 8.402 6.917 ( 3.222 1.092 1.376) 3.670 7.259 ( -3.853 -5.524 -0.098) 6.736 7.740 ( -3.099 -1.467 -4.923) 6.000 8.990 ( -13.910 14.295 -1.028) 19.973 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -0.000 -1.748 5.043) 5.337 2.488 ( -0.000 -9.199 -1.650) 9.346 3.689 ( -0.000 -3.766 7.272) 8.189 5.197 ( -0.000 -4.100 0.271) 4.109 6.114 ( 0.000 -5.788 -3.542) 6.786 6.151 ( 0.000 0.889 -4.245) 4.337 6.543 ( -0.000 -5.177 4.180) 6.654 6.791 ( -0.000 5.995 8.445) 10.357 6.848 ( -0.000 -0.515 2.433) 2.487 7.327 ( 0.000 -3.750 -2.685) 4.612 7.800 ( 0.000 -3.831 -4.669) 6.039 9.255 ( 0.000 16.096 -2.510) 16.290 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.090 -4.503 3.983) 6.013 2.456 ( 8.630 -12.270 -1.229) 15.051 3.651 ( -0.914 -6.943 5.567) 8.946 5.183 ( 3.973 -6.666 0.187) 7.762 6.078 ( 3.712 -4.328 -1.660) 5.939 6.188 ( 7.359 -5.897 -4.542) 10.467 6.524 ( 2.773 -5.459 3.402) 7.004 6.817 ( -1.493 0.696 3.296) 3.685 6.911 ( 1.931 3.857 5.067) 6.654 7.268 ( -2.184 -2.814 0.735) 3.637 7.771 ( -1.555 3.144 -3.063) 4.657 9.325 ( -8.215 14.722 -3.925) 17.309 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.000 -7.863 4.030) 8.836 2.236 ( -0.000 -15.087 -0.797) 15.108 3.584 ( -0.000 -12.053 4.479) 12.858 5.077 ( -0.000 -7.876 0.050) 7.876 5.982 ( 0.000 -14.397 -5.584) 15.442 6.020 ( -0.000 -2.253 0.545) 2.318 6.462 ( -0.000 -5.465 3.003) 6.236 6.820 ( -0.000 -3.046 0.254) 3.057 6.970 ( -0.000 6.113 5.954) 8.533 7.291 ( -0.000 2.649 2.917) 3.941 7.830 ( 0.000 7.253 -1.847) 7.485 9.520 ( 0.000 13.824 -6.571) 15.307 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 0.000 17.865) 17.865 0.697 ( -0.000 0.000 17.865) 17.865 1.247 ( -0.000 0.000 33.833) 33.833 4.573 ( -0.000 0.000 2.975) 2.975 4.573 ( -0.000 0.000 2.975) 2.975 5.828 ( 0.000 -0.000 -7.768) 7.768 5.828 ( 0.000 -0.000 -7.768) 7.768 6.791 ( -0.000 0.000 4.971) 4.971 6.791 ( -0.000 0.000 4.971) 4.971 7.814 ( 0.000 -0.000 -15.377) 15.377 8.755 ( -0.000 0.000 8.963) 8.963 10.721 ( -0.000 0.000 0.567) 0.567 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 13.668 7.891 16.276) 22.671 0.950 ( 12.140 7.009 13.512) 19.469 1.514 ( 13.651 7.881 22.206) 27.232 4.582 ( 1.000 0.577 2.537) 2.787 4.710 ( 9.343 5.394 3.989) 11.502 5.903 ( 5.379 3.106 -7.126) 9.453 5.916 ( 11.285 6.515 -10.385) 16.662 6.761 ( -2.655 -1.533 4.311) 5.290 6.786 ( -2.047 -1.182 4.905) 5.445 7.762 ( -0.391 -0.226 -16.304) 16.310 8.849 ( 2.785 1.608 7.356) 8.028 10.440 ( -21.173 -12.224 4.086) 24.788 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 11.042 6.375 13.998) 18.934 1.310 ( 14.995 8.657 8.396) 19.243 2.019 ( 24.402 14.089 6.275) 28.867 4.642 ( 3.534 2.040 2.151) 4.613 5.014 ( 14.858 8.578 6.466) 18.335 6.015 ( 6.361 3.672 -6.518) 9.820 6.157 ( 10.752 6.208 -7.002) 14.254 6.732 ( -3.902 -2.253 4.108) 6.098 6.749 ( 1.575 0.909 -0.034) 1.819 7.669 ( -2.563 -1.480 -14.872) 15.164 8.850 ( -5.934 -3.426 9.707) 11.882 9.905 ( -24.467 -14.126 -1.026) 28.270 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 9.556 5.517 6.075) 12.596 1.680 ( 14.825 8.559 4.454) 17.689 2.620 ( 25.788 14.889 0.036) 29.777 4.758 ( 5.708 3.296 1.538) 6.768 5.408 ( 16.215 9.362 8.150) 20.421 6.136 ( 5.726 3.306 -5.197) 8.410 6.315 ( 4.349 2.511 -1.773) 5.325 6.650 ( -3.783 -2.184 2.701) 5.136 6.838 ( 6.197 3.578 -5.664) 9.126 7.544 ( -3.922 -2.264 -11.519) 12.377 8.665 ( -12.580 -7.263 13.614) 19.908 9.340 ( -22.345 -12.901 -10.123) 27.717 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 7.956 4.593 -0.846) 9.226 2.013 ( 12.856 7.422 2.109) 14.993 3.175 ( 22.233 12.836 -1.964) 25.747 4.902 ( 6.182 3.569 0.385) 7.149 5.778 ( 12.526 7.232 7.690) 16.381 6.222 ( 2.356 1.360 -1.344) 3.034 6.371 ( 1.598 0.923 -1.523) 2.393 6.609 ( 0.420 0.243 -0.221) 0.533 6.929 ( 2.946 1.701 -8.337) 9.004 7.408 ( -4.964 -2.866 -6.162) 8.415 8.449 ( -9.724 -5.614 15.358) 19.025 8.823 ( -17.564 -10.141 -15.181) 25.334 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.393 3.114 -4.454) 7.656 2.283 ( 9.906 5.719 1.399) 11.524 3.609 ( 16.014 9.246 -4.074) 18.935 5.031 ( 4.879 2.817 -0.665) 5.673 5.998 ( 3.477 2.007 5.799) 7.053 6.239 ( -0.702 -0.405 3.335) 3.432 6.395 ( 2.026 1.170 -4.302) 4.897 6.670 ( 4.865 2.809 -3.244) 6.487 6.924 ( 0.377 0.218 -8.047) 8.059 7.299 ( -2.695 -1.556 -0.215) 3.119 8.231 ( -14.672 -8.471 4.384) 17.500 8.559 ( -0.382 -0.220 -3.850) 3.875 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.173 1.832 -5.355) 6.489 2.475 ( 6.263 3.616 1.630) 7.414 3.866 ( 8.123 4.690 -8.018) 12.340 5.123 ( 3.388 1.956 -0.455) 3.939 5.990 ( -3.693 -2.132 4.034) 5.870 6.231 ( -1.289 -0.744 5.356) 5.559 6.469 ( 5.924 3.420 -6.260) 9.273 6.777 ( 5.068 2.926 -4.145) 7.171 6.916 ( 1.084 0.626 -6.552) 6.670 7.281 ( -0.344 -0.199 2.949) 2.975 7.943 ( -9.637 -5.564 5.506) 12.416 8.621 ( 4.097 2.365 0.316) 4.741 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 2.149 1.241 -4.942) 5.530 2.579 ( 2.047 1.182 1.967) 3.075 3.934 ( 1.421 0.821 -11.426) 11.543 5.188 ( 2.265 1.308 0.577) 2.679 5.951 ( -0.099 -0.057 4.533) 4.534 6.212 ( -2.259 -1.304 5.524) 6.109 6.595 ( 6.550 3.782 -6.752) 10.139 6.857 ( 3.041 1.756 -4.092) 5.392 6.903 ( -0.493 -0.284 -7.903) 7.923 7.262 ( -1.946 -1.124 3.962) 4.555 7.854 ( -2.562 -1.479 13.590) 13.908 8.726 ( 5.572 3.217 -0.566) 6.458 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 1.237 0.714 -4.411) 4.637 2.581 ( -2.578 -1.488 1.989) 3.580 3.881 ( -1.902 -1.098 -11.061) 11.277 5.224 ( 0.355 0.205 0.980) 1.063 6.017 ( 3.691 2.131 4.777) 6.402 6.161 ( -3.774 -2.179 4.350) 6.157 6.677 ( 0.735 0.424 -4.886) 4.959 6.847 ( 0.273 0.158 -9.882) 9.887 6.886 ( 0.715 0.413 -3.166) 3.272 7.266 ( 0.701 0.405 6.173) 6.226 7.826 ( -4.663 -2.692 9.903) 11.273 8.909 ( 10.288 5.940 3.049) 12.265 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -1.735 -1.002 -4.293) 4.738 2.470 ( -7.666 -4.426 1.552) 8.987 3.773 ( -4.665 -2.693 -7.889) 9.553 5.197 ( -3.255 -1.879 0.375) 3.777 6.082 ( -3.718 -2.147 2.244) 4.844 6.100 ( 0.189 0.109 4.861) 4.866 6.588 ( -5.068 -2.926 -3.778) 6.965 6.871 ( -1.267 -0.731 -1.652) 2.206 6.877 ( 4.029 2.326 -7.187) 8.562 7.297 ( -0.434 -0.250 2.794) 2.839 7.757 ( -1.291 -0.745 2.944) 3.300 9.203 ( 12.895 7.445 6.908) 16.414 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.000 8.675 13.599) 16.130 1.078 ( -0.000 15.952 17.426) 23.624 1.614 ( -0.000 15.154 19.976) 25.073 4.638 ( -0.000 2.808 3.669) 4.620 4.677 ( -0.000 8.982 3.139) 9.514 5.720 ( 0.000 -0.818 -7.945) 7.987 5.983 ( 0.000 13.544 -7.549) 15.506 6.769 ( -0.000 -4.220 4.491) 6.163 6.811 ( -0.000 -1.497 4.322) 4.574 7.702 ( 0.000 -0.920 -15.466) 15.493 8.876 ( -0.000 3.057 7.126) 7.754 10.489 ( -0.000 -19.153 2.161) 19.275 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 13.119 10.527 9.912) 19.524 1.326 ( 4.204 11.377 17.277) 21.109 1.930 ( 9.753 21.546 7.044) 24.677 4.663 ( -0.577 4.719 2.994) 5.618 4.907 ( 10.538 11.246 5.115) 16.239 5.809 ( 11.558 0.129 -7.489) 13.772 6.117 ( 3.266 11.760 -5.561) 13.413 6.735 ( -0.575 -2.362 1.800) 3.025 6.791 ( -2.032 -1.587 3.544) 4.383 7.623 ( -0.915 -2.505 -14.266) 14.513 8.902 ( -1.503 -3.917 8.242) 9.249 10.134 ( -17.520 -17.538 -0.727) 24.801 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 8.419 7.802 8.559) 14.318 1.588 ( 9.959 11.464 8.135) 17.227 2.410 ( 18.213 21.561 -0.245) 28.225 4.743 ( 2.394 5.998 2.381) 6.883 5.269 ( 14.585 11.737 6.554) 19.835 6.000 ( 10.954 2.310 -5.875) 12.643 6.263 ( 4.189 5.708 -1.968) 7.349 6.706 ( -2.597 -1.574 1.227) 3.275 6.773 ( 1.785 1.456 -2.037) 3.074 7.520 ( -1.899 -3.502 -11.802) 12.457 8.784 ( -6.921 -11.566 11.419) 17.665 9.600 ( -23.870 -12.485 -7.313) 27.913 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 6.026 5.230 2.344) 8.316 1.923 ( 10.788 12.802 3.069) 17.020 2.941 ( 20.272 17.130 -1.931) 26.611 4.872 ( 3.931 6.907 1.313) 8.055 5.655 ( 14.034 9.475 6.072) 17.989 6.169 ( 6.178 4.389 -2.933) 8.126 6.349 ( 2.355 1.762 -0.460) 2.977 6.644 ( -3.211 0.129 1.199) 3.430 6.842 ( 4.774 1.295 -7.557) 9.032 7.405 ( -2.483 -4.497 -7.894) 9.418 8.567 ( -7.641 -12.525 14.368) 20.535 9.043 ( -23.536 -8.254 -12.797) 28.032 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 5.252 3.645 -2.897) 7.019 2.222 ( 8.318 12.014 1.603) 14.700 3.406 ( 17.274 11.725 -3.001) 21.092 5.011 ( 3.422 7.157 -0.007) 7.933 5.950 ( 8.433 5.315 4.533) 10.951 6.271 ( 1.209 4.185 1.519) 4.614 6.385 ( -0.018 2.063 -2.401) 3.166 6.634 ( 0.899 2.345 -1.096) 2.740 6.875 ( 2.327 0.127 -8.936) 9.235 7.297 ( -1.575 -4.768 -2.786) 5.743 8.388 ( -9.807 -10.583 9.954) 17.529 8.600 ( -10.765 -3.052 -8.333) 13.951 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.799 2.215 -5.039) 6.688 2.457 ( 5.067 10.621 1.642) 11.882 3.726 ( 10.858 6.072 -5.781) 13.718 5.129 ( 1.874 7.609 -0.583) 7.858 6.053 ( -1.841 0.615 3.549) 4.045 6.317 ( -2.722 5.363 4.437) 7.474 6.396 ( 2.519 2.215 -4.940) 5.971 6.697 ( 4.062 1.642 -2.974) 5.295 6.897 ( 1.855 3.666 -7.642) 8.676 7.263 ( 2.064 -2.563 1.722) 3.714 8.068 ( -12.303 -8.345 0.915) 14.895 8.567 ( 3.461 -0.968 3.495) 5.013 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 2.658 1.501 -5.226) 6.052 2.615 ( 0.897 8.989 2.209) 9.300 3.858 ( 3.782 1.324 -9.302) 10.128 5.223 ( -0.033 8.306 -0.273) 8.310 5.998 ( -3.572 -0.020 3.687) 5.134 6.326 ( -4.907 6.123 5.411) 9.531 6.488 ( 6.442 2.956 -6.213) 9.426 6.766 ( 4.385 -0.472 -3.067) 5.372 6.929 ( -0.994 5.002 -8.037) 9.519 7.288 ( 0.361 -0.844 3.300) 3.425 7.895 ( -1.742 -5.689 9.857) 11.513 8.639 ( 5.079 -1.208 0.757) 5.276 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 1.918 1.136 -4.794) 5.287 2.678 ( -4.060 7.161 2.540) 8.615 3.844 ( -0.264 -1.303 -10.477) 10.561 5.282 ( -2.406 7.129 0.241) 7.528 6.004 ( 1.567 2.012 4.070) 4.803 6.302 ( -7.051 5.671 4.939) 10.308 6.605 ( 5.861 2.128 -5.753) 8.484 6.808 ( 1.708 0.016 -5.728) 5.977 6.894 ( -2.710 2.319 -6.431) 7.354 7.292 ( -0.510 0.540 4.784) 4.842 7.883 ( -1.188 -5.935 12.774) 14.135 8.757 ( 10.476 -0.019 0.145) 10.477 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 0.103 -0.042 -4.471) 4.473 2.630 ( -9.493 4.670 2.179) 10.802 3.769 ( -1.901 -2.649 -8.527) 9.129 5.275 ( -4.934 3.646 0.212) 6.138 6.087 ( 1.777 2.683 3.119) 4.481 6.243 ( -7.420 5.670 4.106) 10.201 6.634 ( -3.223 -0.016 -3.542) 4.789 6.792 ( 2.278 0.784 -8.938) 9.257 6.887 ( 0.208 1.751 -2.541) 3.093 7.310 ( -0.300 -0.860 4.098) 4.198 7.796 ( -4.300 -5.514 6.410) 9.486 9.009 ( 16.283 1.146 3.551) 16.705 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 15.326 8.826) 17.685 1.461 ( -0.000 8.031 18.754) 20.401 2.111 ( 0.000 26.209 1.222) 26.237 4.729 ( -0.000 3.687 3.009) 4.759 4.968 ( -0.000 16.795 5.244) 17.594 5.694 ( 0.000 3.361 -5.131) 6.134 6.188 ( 0.000 10.144 -2.727) 10.504 6.722 ( -0.000 -1.844 -0.012) 1.844 6.799 ( -0.000 -2.184 2.717) 3.486 7.551 ( 0.000 -3.468 -12.555) 13.025 8.886 ( -0.000 -9.115 8.782) 12.657 10.099 ( -0.000 -17.647 -4.888) 18.311 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 8.469 14.861 6.470) 18.288 1.609 ( 3.162 6.062 13.248) 14.908 2.435 ( 6.888 26.553 -2.746) 27.569 4.787 ( 1.087 5.335 2.517) 5.998 5.232 ( 7.253 17.106 5.510) 19.380 5.821 ( 10.110 5.154 -3.076) 11.757 6.279 ( 1.036 6.224 0.281) 6.316 6.707 ( 0.164 0.073 -3.294) 3.299 6.775 ( -0.970 -1.639 1.261) 2.285 7.464 ( -0.887 -4.225 -10.169) 11.047 8.768 ( -2.946 -16.391 10.096) 19.475 9.785 ( -14.242 -12.931 -9.608) 21.503 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 2.841 5.399 4.343) 7.489 1.889 ( 11.032 14.337 4.678) 18.686 2.839 ( 12.456 21.913 -2.940) 25.376 4.896 ( 3.032 7.223 1.934) 8.069 5.564 ( 10.434 13.975 3.514) 17.791 6.071 ( 10.881 7.351 -0.683) 13.149 6.341 ( 0.867 2.332 1.961) 3.168 6.692 ( -1.369 0.449 -2.734) 3.091 6.764 ( 1.675 -0.194 -3.771) 4.130 7.363 ( -1.693 -5.176 -7.184) 9.015 8.561 ( -4.053 -18.303 11.652) 22.072 9.320 ( -21.600 -8.071 -12.996) 26.469 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 3.518 3.629 -1.022) 5.157 2.224 ( 8.747 15.155 2.165) 17.632 3.253 ( 14.235 15.291 -2.219) 21.009 5.038 ( 3.400 8.545 0.857) 9.236 5.871 ( 9.598 9.985 1.319) 13.913 6.285 ( 4.232 6.589 2.178) 8.128 6.391 ( 1.985 3.258 -0.148) 3.818 6.663 ( -1.549 1.370 -2.240) 3.049 6.787 ( 3.479 -0.538 -6.643) 7.518 7.254 ( -1.616 -6.113 -3.700) 7.326 8.394 ( -1.462 -14.534 13.111) 19.629 8.822 ( -21.511 -4.433 -13.360) 25.708 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 3.482 2.466 -3.775) 5.697 2.505 ( 5.594 14.855 1.571) 15.951 3.589 ( 11.189 8.677 -3.044) 14.483 5.183 ( 2.522 9.991 -0.121) 10.305 6.074 ( 3.547 5.564 0.386) 6.610 6.364 ( 0.286 2.277 0.318) 2.317 6.457 ( -1.170 7.202 0.918) 7.354 6.660 ( 1.009 1.189 -2.810) 3.214 6.849 ( 5.070 3.667 -6.230) 8.830 7.185 ( 1.796 -5.086 -0.250) 5.399 8.205 ( -11.922 -11.426 3.243) 16.828 8.531 ( -2.492 -2.094 -0.741) 3.338 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 2.890 1.882 -4.473) 5.648 2.721 ( 1.835 14.112 2.214) 14.402 3.773 ( 5.160 2.980 -5.557) 8.148 5.323 ( 0.949 12.142 -0.730) 12.200 6.090 ( -4.764 1.507 1.116) 5.120 6.399 ( 3.669 1.823 -3.966) 5.702 6.511 ( -3.932 9.762 3.691) 11.153 6.693 ( 2.884 0.366 -1.380) 3.218 6.957 ( 2.080 7.219 -7.199) 10.405 7.222 ( 6.229 -3.247 2.786) 7.557 7.920 ( -7.757 -8.294 3.299) 11.826 8.542 ( 3.750 -3.924 2.978) 6.191 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.201 1.749 -4.317) 5.152 2.858 ( -3.061 13.046 3.095) 13.753 3.799 ( 0.204 -0.873 -7.681) 7.733 5.434 ( -3.015 12.714 -1.089) 13.112 6.037 ( -1.938 1.634 2.464) 3.535 6.469 ( 0.711 1.953 -1.975) 2.867 6.540 ( -1.009 7.377 -0.580) 7.468 6.764 ( 3.129 3.132 0.686) 4.480 6.967 ( -4.461 4.599 -7.735) 10.044 7.303 ( 2.486 -0.159 2.597) 3.599 7.830 ( 2.663 -8.479 9.954) 13.344 8.584 ( 6.270 -4.515 0.326) 7.733 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.941 1.271 -4.090) 4.385 2.886 ( -9.262 10.745 3.044) 14.509 3.738 ( -1.207 -2.563 -7.277) 7.809 5.443 ( -7.607 8.287 -0.604) 11.265 6.097 ( 3.047 5.352 1.953) 6.461 6.430 ( -5.998 2.542 1.807) 6.760 6.633 ( 4.371 4.138 -4.548) 7.544 6.820 ( -5.538 6.126 -3.595) 9.007 6.892 ( -0.938 1.135 -2.759) 3.128 7.320 ( -0.554 -1.187 2.023) 2.410 7.807 ( -0.945 -8.852 8.498) 12.307 8.722 ( 14.873 -3.899 0.713) 15.392 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 17.989 5.461) 18.800 1.673 ( -0.000 2.883 10.734) 11.115 2.638 ( 0.000 26.769 -4.172) 27.092 4.826 ( -0.000 4.402 1.278) 4.584 5.400 ( -0.000 21.397 6.592) 22.390 5.781 ( 0.000 7.191 -0.407) 7.202 6.333 ( -0.000 4.211 2.758) 5.034 6.692 ( 0.000 0.660 -5.739) 5.777 6.768 ( -0.000 -1.899 0.386) 1.938 7.394 ( 0.000 -4.624 -7.579) 8.879 8.638 ( -0.000 -21.126 9.021) 22.972 9.744 ( 0.000 -11.269 -13.001) 17.206 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.166 3.517 4.500) 5.714 1.875 ( 8.830 16.062 4.358) 18.840 2.915 ( 4.453 23.192 -3.348) 23.852 4.906 ( 3.296 5.416 0.838) 6.395 5.640 ( 1.493 19.050 4.016) 19.526 5.967 ( 10.184 9.451 2.304) 14.083 6.373 ( -0.341 1.945 4.161) 4.606 6.677 ( 0.358 0.361 -7.674) 7.691 6.747 ( -0.322 -1.186 -0.814) 1.475 7.314 ( -1.187 -5.067 -4.766) 7.057 8.439 ( -1.047 -21.350 8.519) 23.011 9.483 ( -12.004 -8.593 -14.981) 21.033 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 1.520 2.690 0.051) 3.090 2.220 ( 10.365 15.772 2.259) 19.008 3.218 ( 7.952 17.355 -1.543) 19.152 5.046 ( 5.142 6.850 0.612) 8.587 5.869 ( 4.606 14.533 0.459) 15.252 6.256 ( 9.213 8.991 2.900) 13.196 6.403 ( 0.340 2.648 3.395) 4.319 6.649 ( 0.539 -1.821 -8.079) 8.299 6.739 ( 0.651 0.676 -1.301) 1.604 7.218 ( -2.287 -5.113 -2.259) 6.040 8.277 ( 1.030 -16.865 9.573) 19.420 9.080 ( -18.806 -5.935 -14.913) 24.724 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.455 2.313 -2.219) 4.038 2.545 ( 8.323 15.524 0.985) 17.642 3.505 ( 8.733 10.741 -0.630) 13.858 5.216 ( 5.156 8.795 0.298) 10.200 6.069 ( 4.380 9.009 -1.854) 10.187 6.401 ( -0.437 2.823 2.837) 4.026 6.507 ( 4.200 7.463 0.041) 8.564 6.625 ( 2.413 -1.150 -4.848) 5.536 6.788 ( 3.169 3.813 -2.049) 5.364 7.132 ( -1.436 -3.785 -0.640) 4.099 8.189 ( 0.467 -14.020 9.125) 16.734 8.666 ( -16.126 -2.470 -10.834) 19.583 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.662 2.159 -2.863) 4.466 2.820 ( 5.172 15.352 1.161) 16.242 3.704 ( 5.483 4.499 -1.743) 7.304 5.400 ( 4.337 11.773 -0.162) 12.548 6.168 ( -0.102 4.238 -1.920) 4.654 6.381 ( -1.605 0.270 -1.519) 2.226 6.651 ( 0.346 7.112 -0.435) 7.133 6.665 ( 2.385 4.627 1.888) 5.538 6.910 ( 7.623 4.543 -3.150) 9.417 7.106 ( 2.080 -2.024 -0.071) 2.903 8.000 ( -9.007 -10.968 2.142) 14.353 8.479 ( -1.417 -2.988 -0.161) 3.311 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 2.329 2.246 -2.903) 4.347 3.034 ( 1.006 14.980 2.350) 15.197 3.764 ( 0.602 -0.544 -3.950) 4.033 5.590 ( 1.675 14.925 -1.015) 15.053 6.130 ( -5.954 2.107 0.009) 6.316 6.401 ( 3.893 0.747 -2.850) 4.882 6.638 ( -2.703 1.047 -1.494) 3.261 6.799 ( 1.244 9.032 4.278) 10.071 7.063 ( -0.131 8.334 -6.096) 10.326 7.174 ( 10.157 -3.499 2.994) 11.152 7.779 ( -4.843 -8.387 3.405) 10.266 8.458 ( 2.606 -5.974 1.497) 6.688 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 1.448 2.140 -2.998) 3.958 3.154 ( -5.533 13.356 3.194) 14.806 3.710 ( -1.463 -3.320 -5.065) 6.230 5.686 ( -8.014 12.536 -1.408) 14.945 6.105 ( 1.639 4.394 0.852) 4.766 6.468 ( 2.908 0.461 -2.404) 3.801 6.603 ( -0.806 0.546 -1.482) 1.774 6.900 ( 0.638 3.785 0.449) 3.865 7.049 ( -7.862 10.283 -1.331) 13.013 7.298 ( 3.288 -1.640 -0.431) 3.700 7.705 ( 3.437 -9.536 6.267) 11.918 8.473 ( 7.368 -6.607 0.391) 9.904 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.000 1.411 2.601) 2.959 1.977 ( 0.000 17.291 2.845) 17.524 3.090 ( 0.000 20.470 -2.174) 20.585 4.926 ( 0.000 5.319 -0.130) 5.321 5.868 ( 0.000 19.720 4.138) 20.149 5.960 ( -0.000 9.108 3.609) 9.797 6.411 ( -0.000 1.433 5.644) 5.823 6.642 ( 0.000 -1.160 -8.645) 8.723 6.732 ( 0.000 -1.075 -2.104) 2.363 7.267 ( 0.000 -4.010 -1.836) 4.411 8.263 ( -0.000 -19.657 6.231) 20.621 9.443 ( 0.000 -8.592 -16.478) 18.583 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.457 1.644 0.154) 1.713 2.221 ( 7.548 15.479 1.594) 17.294 3.293 ( 2.888 15.782 -0.148) 16.045 5.019 ( 4.339 5.820 -0.362) 7.269 5.992 ( -1.504 13.207 1.299) 13.356 6.194 ( 9.083 9.278 3.277) 13.391 6.449 ( -0.301 2.972 5.491) 6.251 6.585 ( 0.069 -3.957 -7.895) 8.831 6.724 ( 1.115 0.133 -2.526) 2.764 7.220 ( -2.062 -1.281 0.230) 2.439 8.122 ( 1.226 -14.277 6.010) 15.539 9.208 ( -9.998 -7.694 -16.352) 20.653 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.391 2.002 -0.773) 2.557 2.531 ( 10.290 14.009 0.174) 17.383 3.496 ( 4.933 10.331 1.559) 11.554 5.182 ( 7.142 6.790 -0.180) 9.857 6.099 ( 1.167 7.641 -1.730) 7.921 6.422 ( 5.871 5.076 4.446) 8.944 6.465 ( 1.327 -1.470 -5.397) 5.749 6.570 ( 2.536 2.362 1.057) 3.623 6.771 ( 3.470 3.393 -1.559) 5.097 7.170 ( -4.306 1.673 0.556) 4.653 8.058 ( 2.107 -10.591 6.385) 12.545 8.862 ( -14.669 -5.430 -13.539) 20.687 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.043 2.319 -0.750) 3.181 2.840 ( 9.480 13.448 -0.538) 16.462 3.663 ( 4.479 4.698 1.710) 6.713 5.396 ( 8.267 9.181 0.189) 12.356 6.169 ( 2.330 2.447 -2.085) 3.970 6.397 ( -1.015 -2.395 -2.777) 3.805 6.611 ( 5.804 1.879 1.786) 6.356 6.688 ( 5.342 7.531 1.930) 9.433 6.884 ( 2.811 7.220 -1.902) 7.978 7.113 ( -3.758 2.201 -0.292) 4.365 7.981 ( -1.919 -11.046 3.366) 11.706 8.556 ( -10.400 -2.400 -6.397) 12.443 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 2.124 2.585 -0.725) 3.423 3.115 ( 6.853 13.292 0.084) 14.954 3.737 ( 0.969 -0.626 0.110) 1.159 5.645 ( 7.641 12.682 0.026) 14.806 6.217 ( 0.844 1.497 -0.926) 1.952 6.354 ( -0.629 -1.481 -0.869) 1.829 6.672 ( 0.081 0.267 -0.631) 0.690 6.898 ( 5.839 9.246 3.195) 11.393 6.943 ( 1.113 1.852 -0.686) 2.267 7.137 ( 2.479 5.419 -2.167) 6.341 7.806 ( -5.775 -9.417 0.696) 11.069 8.409 ( -3.121 -3.679 -0.368) 4.838 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.599 2.580 -1.119) 3.235 3.332 ( 2.053 13.095 1.607) 13.352 3.686 ( -2.431 -5.153 -2.057) 6.057 5.888 ( 2.589 15.198 -0.790) 15.437 6.175 ( -6.187 2.096 0.118) 6.534 6.371 ( 5.104 -2.572 -1.710) 5.966 6.642 ( -2.417 -0.222 1.796) 3.019 6.936 ( -1.589 2.628 -1.650) 3.486 7.128 ( 9.873 0.434 -1.705) 10.028 7.234 ( 0.915 8.119 2.372) 8.508 7.641 ( -3.824 -6.801 1.020) 7.868 8.340 ( 0.832 -6.069 0.558) 6.151 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 1.489 0.104) 1.493 2.302 ( 0.000 13.684 0.703) 13.702 3.412 ( 0.000 11.971 1.871) 12.116 5.034 ( 0.000 5.723 -0.825) 5.782 6.153 ( 0.000 6.648 -1.340) 6.781 6.175 ( -0.000 8.650 4.881) 9.932 6.480 ( 0.000 -3.505 -5.410) 6.446 6.536 ( -0.000 1.445 5.054) 5.257 6.697 ( 0.000 -0.287 -3.458) 3.470 7.258 ( -0.000 3.940 1.230) 4.128 8.019 ( -0.000 -7.701 4.404) 8.871 9.150 ( 0.000 -8.712 -16.524) 18.680 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.636 1.933 0.684) 2.147 2.496 ( 7.474 11.379 -0.398) 13.620 3.539 ( 1.967 7.654 3.754) 8.750 5.131 ( 4.996 5.716 -0.789) 7.633 6.151 ( -1.582 2.115 -2.008) 3.318 6.354 ( 7.567 5.560 2.784) 9.794 6.405 ( 0.078 -3.997 -5.876) 7.107 6.592 ( 0.096 3.143 5.679) 6.491 6.721 ( 3.824 1.264 -0.869) 4.120 7.287 ( -3.157 6.080 0.062) 6.851 7.992 ( -0.159 -1.848 3.655) 4.098 8.937 ( -7.419 -8.118 -14.208) 17.967 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 1.322 2.430 1.493) 3.143 2.766 ( 11.436 9.871 -1.637) 15.195 3.654 ( 2.798 3.449 4.636) 6.420 5.315 ( 9.390 6.504 -0.083) 11.422 6.134 ( 0.868 -1.912 -2.694) 3.416 6.374 ( 0.028 0.236 -2.078) 2.092 6.539 ( 6.685 1.928 2.150) 7.282 6.668 ( 4.040 5.085 1.285) 6.621 6.839 ( 6.849 2.668 2.136) 7.655 7.265 ( -6.048 6.057 -1.217) 8.646 7.957 ( -3.874 -2.042 0.391) 4.396 8.673 ( -9.333 -5.002 -8.262) 13.431 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.650 2.734 1.706) 3.620 3.059 ( 11.905 9.102 -2.156) 15.140 3.720 ( 0.995 -0.774 3.881) 4.081 5.580 ( 12.173 8.422 0.778) 14.822 6.137 ( 3.673 -3.503 -1.288) 5.237 6.381 ( -1.023 2.504 0.784) 2.816 6.625 ( 3.275 -1.178 0.936) 3.604 6.827 ( 5.949 5.173 -0.123) 7.885 7.016 ( 8.244 4.258 1.790) 9.449 7.201 ( -7.440 6.738 -1.772) 10.193 7.812 ( -6.672 -6.056 -2.424) 9.331 8.478 ( -7.422 -1.915 -2.212) 7.978 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.000 2.192 2.271) 3.156 2.523 ( 0.000 8.380 -0.870) 8.425 3.600 ( -0.000 4.460 5.794) 7.311 5.135 ( 0.000 4.913 -1.101) 5.035 6.144 ( 0.000 -3.880 -4.319) 5.806 6.340 ( 0.000 4.506 0.790) 4.574 6.374 ( 0.000 1.190 -2.220) 2.519 6.650 ( -0.000 1.420 8.402) 8.521 6.686 ( 0.000 1.439 -0.485) 1.519 7.363 ( 0.000 3.948 -2.017) 4.434 8.042 ( 0.000 7.242 1.116) 7.328 8.861 ( 0.000 -8.970 -12.180) 15.127 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.630 2.546 3.497) 4.371 2.661 ( 8.088 5.941 -1.772) 10.191 3.667 ( 1.202 1.796 7.080) 7.402 5.229 ( 6.012 4.374 -0.709) 7.468 6.088 ( -0.007 -2.858 -4.224) 5.100 6.399 ( -0.365 4.109 1.177) 4.290 6.426 ( 6.706 0.742 -2.567) 7.219 6.678 ( 0.492 2.164 4.998) 5.469 6.765 ( 4.795 1.163 5.091) 7.090 7.363 ( -1.740 1.944 -3.203) 4.131 8.075 ( -5.574 6.999 -4.626) 10.073 8.709 ( -4.237 -5.183 -5.990) 8.983 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 1.063 2.650 3.747) 4.711 2.892 ( 13.106 4.182 -2.860) 14.051 3.718 ( 0.629 -0.747 6.861) 6.931 5.425 ( 11.799 3.654 0.546) 12.364 6.066 ( 1.226 -0.777 -2.811) 3.163 6.439 ( -0.766 4.090 2.633) 4.925 6.542 ( 6.199 -0.690 -0.140) 6.239 6.772 ( 5.731 4.569 -0.632) 7.357 6.888 ( 6.798 -1.382 6.464) 9.482 7.331 ( -2.607 1.843 -2.529) 4.073 7.934 ( -10.940 0.333 -8.597) 13.918 8.589 ( -6.652 1.367 -0.604) 6.818 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -0.000 2.646 4.801) 5.482 2.623 ( 0.000 2.619 -1.798) 3.177 3.699 ( -0.000 0.617 8.820) 8.842 5.207 ( 0.000 2.973 -1.053) 3.154 6.054 ( 0.000 -0.354 -4.565) 4.579 6.338 ( 0.000 -2.297 -5.260) 5.740 6.468 ( -0.000 6.298 3.991) 7.456 6.708 ( -0.000 -1.741 8.806) 8.976 6.759 ( -0.000 3.560 4.338) 5.612 7.369 ( 0.000 0.263 -4.820) 4.827 8.153 ( 0.000 1.413 -11.719) 11.804 8.714 ( 0.000 2.945 0.044) 2.945 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.387 2.373 4.975) 5.526 2.706 ( 8.698 0.063 -2.405) 9.024 3.735 ( 0.004 -0.628 9.055) 9.076 5.286 ( 6.660 1.485 -0.383) 6.835 6.048 ( 0.268 2.049 -3.865) 4.383 6.356 ( 7.343 -3.636 -4.851) 9.522 6.545 ( -0.474 6.578 5.036) 8.298 6.733 ( 2.006 -1.384 7.315) 7.710 6.833 ( 2.557 1.627 4.947) 5.801 7.347 ( -0.536 0.192 -4.857) 4.890 8.023 ( -5.616 -5.934 -12.437) 14.881 8.751 ( -5.013 10.227 1.219) 11.455 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 1.705 5.226) 5.497 2.603 ( 0.000 -3.107 -2.048) 3.722 3.764 ( -0.000 -1.143 9.880) 9.946 5.234 ( 0.000 0.190 -0.702) 0.727 6.067 ( 0.000 4.118 -4.168) 5.859 6.214 ( 0.000 -5.365 -5.232) 7.494 6.621 ( -0.000 2.071 5.209) 5.606 6.737 ( -0.000 0.433 9.856) 9.865 6.848 ( -0.000 1.683 3.828) 4.181 7.334 ( 0.000 0.418 -5.931) 5.946 7.939 ( 0.000 -9.724 -10.572) 14.364 8.931 ( 0.000 14.653 -0.832) 14.677 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 0.000 14.474) 14.474 0.875 ( -0.000 0.000 14.474) 14.474 1.594 ( -0.000 0.000 28.954) 28.954 4.608 ( -0.000 0.000 3.418) 3.418 4.608 ( -0.000 0.000 3.418) 3.418 5.740 ( 0.000 -0.000 -8.037) 8.037 5.740 ( 0.000 -0.000 -8.037) 8.037 6.845 ( -0.000 0.000 4.809) 4.809 6.845 ( -0.000 0.000 4.809) 4.809 7.651 ( 0.000 -0.000 -14.216) 14.216 8.844 ( -0.000 0.000 7.139) 7.139 10.728 ( -0.000 0.000 0.593) 0.593 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 10.189 5.883 10.532) 15.791 1.102 ( 14.463 8.350 14.495) 22.114 1.746 ( 5.803 3.350 19.550) 20.666 4.613 ( 0.727 0.420 3.053) 3.166 4.758 ( 10.171 5.872 4.483) 12.571 5.809 ( 10.795 6.232 -8.848) 15.286 5.818 ( 5.674 3.276 -8.003) 10.343 6.808 ( -3.540 -2.044 4.163) 5.835 6.838 ( -2.247 -1.297 4.468) 5.167 7.596 ( -0.610 -0.352 -13.953) 13.971 8.923 ( 2.881 1.663 6.070) 6.922 10.472 ( -20.623 -11.907 2.011) 23.898 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 13.282 7.668 5.966) 16.456 1.447 ( 8.333 4.811 16.109) 18.764 2.073 ( 19.777 11.418 3.370) 23.083 4.669 ( 3.220 1.859 2.607) 4.541 5.086 ( 15.852 9.152 6.286) 19.354 5.935 ( 6.829 3.943 -7.842) 11.121 6.078 ( 13.196 7.618 -6.732) 16.658 6.755 ( -1.239 -0.715 0.877) 1.679 6.776 ( -4.273 -2.467 3.722) 6.180 7.517 ( -1.847 -1.066 -12.557) 12.737 8.946 ( -3.824 -2.208 7.670) 8.850 9.894 ( -27.967 -16.147 -0.808) 32.303 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.977 2.874 8.113) 9.942 1.720 ( 13.742 7.934 2.602) 16.080 2.613 ( 24.852 14.349 -1.302) 28.727 4.776 ( 5.189 2.996 1.765) 6.246 5.493 ( 16.504 9.529 6.849) 20.250 6.068 ( 6.912 3.991 -6.998) 10.615 6.296 ( 6.128 3.538 -1.445) 7.222 6.683 ( -4.456 -2.573 3.051) 5.982 6.776 ( 3.563 2.057 -5.526) 6.889 7.427 ( -2.293 -1.324 -9.621) 9.979 8.809 ( -10.333 -5.966 12.069) 16.972 9.242 ( -26.274 -15.169 -7.316) 31.208 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 5.025 2.901 0.220) 5.806 2.031 ( 12.511 7.223 1.043) 14.484 3.150 ( 21.577 12.458 -2.576) 25.048 4.907 ( 5.543 3.200 0.468) 6.417 5.856 ( 12.175 7.029 6.040) 15.301 6.191 ( 5.176 2.989 -4.149) 7.276 6.363 ( 0.690 0.398 0.388) 0.886 6.617 ( -1.421 -0.821 1.698) 2.362 6.828 ( 2.460 1.420 -9.780) 10.184 7.344 ( -2.456 -1.418 -5.212) 5.933 8.602 ( -13.569 -7.834 5.903) 16.743 8.695 ( -14.660 -8.464 -1.599) 17.003 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.209 2.430 -4.019) 6.306 2.296 ( 10.059 5.808 1.044) 11.662 3.558 ( 14.585 8.421 -5.108) 17.599 5.025 ( 4.661 2.691 -0.334) 5.392 6.060 ( 2.909 1.680 5.210) 6.200 6.264 ( 1.703 0.983 1.072) 2.240 6.358 ( 0.090 0.052 -1.986) 1.988 6.643 ( 3.351 1.934 -1.535) 4.162 6.829 ( 1.504 0.868 -9.072) 9.237 7.295 ( -0.387 -0.224 -0.611) 0.757 8.214 ( -13.687 -7.902 -5.973) 16.895 8.611 ( -0.915 -0.529 11.654) 11.702 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.075 1.776 -5.381) 6.447 2.494 ( 6.498 3.752 1.646) 7.682 3.772 ( 6.335 3.657 -8.879) 11.504 5.121 ( 3.718 2.147 0.126) 4.295 6.039 ( -3.982 -2.299 4.814) 6.657 6.287 ( -0.441 -0.255 4.715) 4.742 6.407 ( 4.981 2.876 -4.704) 7.430 6.732 ( 4.628 2.672 -3.911) 6.623 6.837 ( 1.299 0.750 -7.860) 8.002 7.310 ( 0.382 0.221 2.504) 2.542 8.001 ( -4.030 -2.327 4.651) 6.579 8.653 ( 1.143 0.660 5.430) 5.588 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 2.429 1.402 -5.394) 6.079 2.601 ( 2.135 1.233 2.061) 3.213 3.809 ( 0.848 0.490 -10.979) 11.023 5.196 ( 2.537 1.465 0.898) 3.064 6.003 ( -0.031 -0.018 4.770) 4.770 6.276 ( -2.420 -1.397 5.876) 6.506 6.524 ( 6.400 3.695 -5.991) 9.514 6.808 ( -1.315 -0.759 -9.123) 9.249 6.809 ( 3.267 1.886 -4.594) 5.944 7.313 ( -0.698 -0.403 5.109) 5.172 8.009 ( -1.308 -0.755 14.059) 14.140 8.719 ( 5.191 2.997 -0.656) 6.030 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 6.933 11.578) 13.494 1.245 ( -0.000 19.520 12.788) 23.336 1.820 ( -0.000 4.888 17.264) 17.942 4.677 ( -0.000 2.739 3.290) 4.281 4.717 ( -0.000 9.475 4.069) 10.312 5.640 ( 0.000 -0.174 -6.261) 6.264 5.895 ( 0.000 14.864 -8.214) 16.982 6.817 ( -0.000 -5.246 4.225) 6.735 6.856 ( -0.000 -2.028 3.799) 4.306 7.545 ( 0.000 -0.911 -12.904) 12.936 8.946 ( -0.000 3.409 5.581) 6.539 10.503 ( -0.000 -20.014 0.656) 20.024 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 11.876 9.151 8.253) 17.114 1.511 ( 2.950 13.012 16.036) 20.861 1.989 ( 7.033 13.610 3.649) 15.749 4.696 ( -0.843 4.678 2.993) 5.617 4.964 ( 11.281 11.584 4.920) 16.901 5.737 ( 10.826 1.459 -5.363) 12.170 6.048 ( 3.520 14.744 -6.691) 16.570 6.759 ( -1.580 -4.555 2.311) 5.346 6.827 ( -2.172 -2.452 2.948) 4.407 7.480 ( -0.792 -1.750 -11.526) 11.685 8.982 ( -0.716 -2.100 6.319) 6.697 10.121 ( -17.879 -21.417 -1.520) 27.940 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 9.644 7.753 5.985) 13.745 1.686 ( 3.235 7.674 9.729) 12.806 2.396 ( 18.187 20.014 -2.345) 27.144 4.769 ( 1.912 5.888 2.440) 6.654 5.333 ( 15.217 11.044 4.694) 19.379 5.940 ( 10.355 4.477 -4.850) 12.280 6.238 ( 5.435 8.840 -2.468) 10.666 6.708 ( -0.506 -2.784 -0.832) 2.949 6.766 ( -2.629 -0.995 0.690) 2.895 7.403 ( -1.289 -2.229 -9.222) 9.574 8.900 ( -5.150 -9.533 9.543) 14.439 9.525 ( -25.405 -17.044 -6.092) 31.194 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.094 2.515 3.120) 5.062 1.949 ( 9.541 12.934 1.659) 16.158 2.917 ( 20.253 16.788 -2.342) 26.411 4.886 ( 3.199 6.685 1.271) 7.520 5.707 ( 14.643 7.866 3.286) 16.944 6.132 ( 6.452 7.541 -3.658) 10.577 6.355 ( 1.985 2.065 1.695) 3.328 6.657 ( -2.528 -1.350 0.847) 2.989 6.758 ( 2.303 0.822 -7.162) 7.568 7.328 ( -1.119 -2.960 -5.924) 6.716 8.722 ( -6.728 -11.719 12.558) 18.447 8.918 ( -23.790 -10.899 -8.813) 27.612 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 3.442 2.405 -2.015) 4.658 2.236 ( 8.145 12.345 0.882) 14.816 3.370 ( 16.209 11.550 -3.490) 20.207 5.011 ( 2.876 7.002 0.083) 7.570 5.990 ( 9.312 3.736 2.468) 10.332 6.276 ( 2.424 7.148 -0.624) 7.574 6.377 ( -1.386 0.690 1.118) 1.910 6.629 ( -0.130 0.758 0.043) 0.770 6.775 ( 2.214 1.254 -8.982) 9.335 7.269 ( 0.312 -3.352 -2.409) 4.139 8.383 ( -18.295 -7.453 -8.429) 21.478 8.646 ( -1.439 -7.162 14.017) 15.806 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 3.065 2.027 -4.321) 5.672 2.474 ( 5.275 11.028 1.451) 12.310 3.658 ( 8.819 5.981 -6.343) 12.401 5.124 ( 1.927 7.482 -0.170) 7.728 6.092 ( -0.908 -0.638 3.425) 3.600 6.353 ( 1.244 2.756 -0.198) 3.030 6.362 ( -1.914 5.007 1.015) 5.456 6.668 ( 3.221 1.421 -2.360) 4.238 6.812 ( 1.931 4.282 -7.578) 8.916 7.278 ( 3.623 -1.523 0.965) 4.047 8.060 ( -8.232 -5.134 -2.068) 9.920 8.646 ( 1.360 -4.338 10.404) 11.354 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 2.480 1.782 -4.899) 5.773 2.639 ( 0.988 9.455 2.172) 9.751 3.756 ( 2.077 1.730 -8.921) 9.321 5.223 ( 0.438 7.840 0.253) 7.856 6.041 ( -2.902 -0.783 4.189) 5.156 6.383 ( -4.293 5.860 4.736) 8.671 6.430 ( 5.489 2.677 -4.140) 7.378 6.727 ( 3.357 0.568 -3.969) 5.229 6.839 ( -1.277 4.863 -7.878) 9.346 7.326 ( 1.282 -0.651 3.502) 3.785 8.000 ( 3.536 -3.961 8.682) 10.178 8.659 ( 2.093 -3.001 3.043) 4.759 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.000 13.606 8.027) 15.798 1.663 ( -0.000 6.694 17.515) 18.751 2.100 ( 0.000 21.235 -3.128) 21.464 4.756 ( -0.000 3.223 1.697) 3.643 5.030 ( -0.000 17.606 5.986) 18.596 5.655 ( 0.000 4.733 -1.886) 5.094 6.145 ( 0.000 14.007 -4.916) 14.845 6.730 ( -0.000 -5.097 1.316) 5.264 6.825 ( -0.000 -3.080 1.983) 3.663 7.428 ( 0.000 -2.234 -9.733) 9.986 8.972 ( -0.000 -7.041 6.815) 9.799 10.039 ( -0.000 -22.583 -5.750) 23.304 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 7.998 13.780 5.629) 16.898 1.749 ( 0.448 1.556 11.590) 11.703 2.393 ( 7.427 26.083 -4.438) 27.480 4.810 ( 1.534 4.772 1.545) 5.245 5.290 ( 6.168 17.065 4.784) 18.765 5.804 ( 9.593 7.093 0.117) 11.931 6.271 ( 1.433 10.188 -1.716) 10.430 6.680 ( -0.418 -3.434 -1.542) 3.788 6.787 ( -1.317 -2.750 0.804) 3.153 7.366 ( -0.776 -2.562 -7.465) 7.930 8.873 ( -2.033 -15.231 8.914) 17.765 9.673 ( -14.241 -17.355 -10.355) 24.723 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.067 2.833 3.588) 4.694 1.935 ( 9.358 13.245 3.373) 16.564 2.807 ( 13.040 22.167 -2.600) 25.849 4.914 ( 2.973 6.716 1.372) 7.472 5.592 ( 9.689 12.980 1.672) 16.284 6.071 ( 9.940 9.549 0.702) 13.802 6.366 ( 0.850 4.100 2.401) 4.826 6.645 ( 0.543 -1.521 -4.976) 5.232 6.743 ( -1.193 -1.100 -0.768) 1.796 7.296 ( -1.304 -3.398 -4.828) 6.046 8.691 ( -2.378 -18.682 11.904) 22.279 9.175 ( -21.279 -10.358 -13.163) 27.081 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 1.924 2.114 -0.480) 2.898 2.243 ( 8.224 15.087 1.190) 17.224 3.229 ( 13.886 15.733 -1.908) 21.071 5.046 ( 2.955 8.282 0.577) 8.812 5.878 ( 9.815 8.851 0.057) 13.216 6.301 ( 4.700 9.278 0.686) 10.423 6.408 ( 0.015 1.723 3.098) 3.545 6.624 ( 0.611 -0.969 -5.104) 5.231 6.732 ( 0.957 1.293 -2.837) 3.262 7.220 ( -0.898 -4.650 -2.401) 5.310 8.533 ( -4.073 -15.279 9.985) 18.702 8.691 ( -16.406 -5.469 -8.336) 19.197 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 2.485 2.170 -2.592) 4.195 2.520 ( 5.859 15.001 1.151) 16.145 3.553 ( 9.617 9.210 -3.249) 13.707 5.182 ( 2.168 9.916 -0.109) 10.151 6.077 ( 4.630 4.257 0.336) 6.299 6.373 ( -2.139 0.550 1.857) 2.885 6.469 ( 0.342 8.852 0.633) 8.881 6.628 ( 1.973 0.869 -3.017) 3.708 6.790 ( 3.520 4.942 -4.070) 7.306 7.182 ( 3.042 -4.125 -0.423) 5.143 8.193 ( -14.948 -7.375 -4.526) 17.271 8.585 ( 2.760 -7.413 9.509) 12.369 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 2.296 2.215 -3.376) 4.645 2.745 ( 2.317 14.418 2.084) 14.750 3.711 ( 3.161 3.726 -5.588) 7.423 5.317 ( 0.839 11.809 -0.398) 11.846 6.108 ( -3.299 0.354 1.993) 3.870 6.369 ( 2.119 1.261 -1.237) 2.759 6.542 ( -3.194 8.309 1.545) 9.035 6.680 ( 2.891 3.011 -1.059) 4.306 6.884 ( 0.693 7.239 -5.747) 9.269 7.248 ( 7.203 -2.628 1.941) 7.910 7.949 ( -3.658 -6.522 1.772) 7.684 8.593 ( 2.314 -6.818 6.109) 9.442 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -0.000 16.566 4.995) 17.303 1.776 ( -0.000 -1.580 7.398) 7.565 2.592 ( 0.000 27.542 -3.718) 27.792 4.834 ( 0.000 4.032 0.130) 4.034 5.471 ( -0.000 21.066 6.147) 21.944 5.793 ( -0.000 8.447 2.672) 8.859 6.353 ( 0.000 7.997 0.672) 8.025 6.642 ( 0.000 -3.071 -2.990) 4.286 6.768 ( -0.000 -3.010 -0.396) 3.036 7.324 ( 0.000 -2.586 -5.056) 5.679 8.735 ( -0.000 -21.633 8.643) 23.296 9.590 ( 0.000 -14.015 -14.695) 20.307 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -0.861 1.265 2.437) 2.877 1.919 ( 8.449 14.307 3.457) 16.971 2.885 ( 4.707 24.224 -1.761) 24.740 4.911 ( 3.693 4.988 0.090) 6.207 5.680 ( -0.165 17.933 3.243) 18.224 6.002 ( 9.796 10.445 3.837) 14.825 6.419 ( -0.488 4.076 3.586) 5.451 6.602 ( 0.119 -1.987 -5.336) 5.695 6.736 ( -0.135 -2.054 -1.279) 2.424 7.273 ( -1.255 -2.950 -2.570) 4.109 8.536 ( 0.103 -22.775 9.092) 24.523 9.309 ( -11.481 -9.727 -16.573) 22.385 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.618 1.519 0.017) 1.640 2.241 ( 9.867 14.974 1.376) 17.986 3.208 ( 7.910 18.435 -0.241) 20.062 5.050 ( 5.368 6.462 0.207) 8.403 5.872 ( 3.514 13.571 0.279) 14.022 6.284 ( 8.685 9.526 2.100) 13.061 6.447 ( -1.040 1.770 3.826) 4.342 6.570 ( 0.894 -1.613 -5.521) 5.821 6.726 ( 0.813 0.481 -1.016) 1.387 7.202 ( -2.460 -3.478 -0.769) 4.329 8.388 ( 2.704 -18.665 10.627) 21.648 8.912 ( -17.390 -5.833 -15.528) 24.032 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 1.653 2.213 -0.828) 2.884 2.553 ( 8.476 15.053 0.383) 17.279 3.500 ( 7.715 11.770 -0.228) 14.075 5.218 ( 5.064 8.705 0.105) 10.071 6.054 ( 4.365 7.992 -0.769) 9.138 6.427 ( -2.225 -0.456 1.674) 2.822 6.504 ( 5.722 8.091 -0.611) 9.929 6.589 ( 2.638 2.280 -1.528) 3.807 6.771 ( 2.319 3.694 -0.842) 4.442 7.127 ( -1.539 -3.114 -0.205) 3.480 8.275 ( -3.492 -15.684 5.367) 16.941 8.567 ( -8.999 -2.197 -6.006) 11.040 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 1.877 2.596 -1.200) 3.421 2.832 ( 6.000 15.061 0.911) 16.238 3.683 ( 3.624 5.501 -1.895) 6.855 5.398 ( 3.984 11.803 -0.233) 12.459 6.157 ( 0.644 3.564 -0.011) 3.622 6.377 ( -2.049 -0.894 0.743) 2.356 6.631 ( -0.019 4.034 -1.893) 4.456 6.693 ( 3.272 9.427 1.322) 10.066 6.881 ( 5.936 5.472 -1.525) 8.216 7.109 ( 3.199 -2.605 0.394) 4.144 8.006 ( -9.752 -9.491 -0.980) 13.643 8.499 ( 1.898 -5.876 3.723) 7.211 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 -0.311 0.881) 0.934 2.006 ( 0.000 16.123 2.324) 16.290 3.078 ( 0.000 21.788 0.153) 21.789 4.923 ( 0.000 5.090 -0.387) 5.104 5.904 ( 0.000 17.387 2.382) 17.549 6.009 ( -0.000 9.659 5.150) 10.946 6.473 ( -0.000 2.582 3.625) 4.451 6.562 ( 0.000 -2.229 -3.774) 4.383 6.705 ( 0.000 -1.988 -2.655) 3.317 7.256 ( -0.000 -1.938 -0.108) 1.941 8.336 ( -0.000 -21.224 7.146) 22.395 9.250 ( 0.000 -8.733 -18.324) 20.298 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.134 1.254 0.355) 1.310 2.235 ( 7.331 14.463 0.935) 16.242 3.303 ( 2.777 17.176 1.933) 17.506 5.016 ( 4.536 5.565 -0.316) 7.186 6.003 ( -2.388 11.935 0.631) 12.188 6.229 ( 8.485 8.527 3.068) 12.415 6.470 ( -0.455 -2.444 -4.625) 5.251 6.554 ( -0.477 1.558 4.977) 5.237 6.698 ( 1.930 -0.072 -1.982) 2.768 7.228 ( -2.378 -0.219 1.165) 2.657 8.195 ( 2.307 -15.887 7.252) 17.616 9.020 ( -9.111 -6.879 -17.669) 21.036 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.940 2.383 0.895) 2.714 2.529 ( 10.149 13.184 -0.481) 16.644 3.520 ( 4.277 11.650 2.735) 12.708 5.181 ( 7.411 6.685 -0.011) 9.980 6.084 ( 0.774 6.762 -0.972) 6.876 6.408 ( 0.966 -3.175 -4.400) 5.511 6.461 ( 7.452 5.723 2.275) 9.668 6.594 ( 0.575 3.406 2.968) 4.554 6.764 ( 3.444 4.061 0.614) 5.360 7.176 ( -4.711 1.462 0.586) 4.968 8.129 ( 2.534 -13.415 6.466) 15.107 8.714 ( -12.119 -3.345 -13.143) 18.188 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.000 1.897 1.368) 2.339 2.307 ( 0.000 12.848 0.115) 12.848 3.447 ( -0.000 13.401 4.170) 14.035 5.027 ( 0.000 5.442 -0.479) 5.463 6.135 ( 0.000 5.282 -1.924) 5.622 6.225 ( -0.000 7.689 4.085) 8.706 6.406 ( 0.000 -4.973 -6.049) 7.831 6.624 ( -0.000 3.738 9.075) 9.815 6.661 ( 0.000 0.079 -2.797) 2.798 7.272 ( -0.000 3.132 1.284) 3.385 8.072 ( -0.000 -9.127 5.439) 10.624 8.961 ( 0.000 -6.962 -17.492) 18.827 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.423 2.718 2.711) 3.862 2.488 ( 7.198 10.676 -0.992) 12.914 3.591 ( 1.542 8.990 5.642) 10.725 5.125 ( 5.270 5.517 -0.322) 7.636 6.126 ( -1.220 0.301 -2.678) 2.958 6.357 ( 0.482 -0.674 -2.176) 2.328 6.374 ( 7.161 3.392 0.130) 7.925 6.641 ( -1.077 2.485 2.945) 4.001 6.740 ( 4.116 3.268 4.715) 7.061 7.285 ( -3.113 4.267 -0.404) 5.297 8.030 ( -0.095 -4.738 3.175) 5.704 8.782 ( -6.094 -5.038 -13.638) 15.765 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.000 3.004 4.286) 5.234 2.510 ( 0.000 7.910 -1.374) 8.028 3.677 ( -0.000 5.631 8.033) 9.810 5.125 ( 0.000 4.651 -0.669) 4.699 6.093 ( 0.000 -4.544 -4.898) 6.681 6.329 ( 0.000 1.579 -2.598) 3.040 6.371 ( -0.000 3.916 1.612) 4.235 6.696 ( -0.000 3.812 2.327) 4.466 6.745 ( -0.000 1.396 8.712) 8.823 7.338 ( 0.000 2.053 -2.443) 3.191 8.038 ( 0.000 2.468 -1.904) 3.117 8.738 ( 0.000 -4.174 -9.831) 10.680 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.000 0.000 10.597) 10.597 1.013 ( -0.000 0.000 10.597) 10.597 1.878 ( -0.000 0.000 22.425) 22.425 4.646 ( -0.000 0.000 3.325) 3.325 4.646 ( -0.000 0.000 3.325) 3.325 5.655 ( 0.000 -0.000 -7.120) 7.120 5.655 ( 0.000 -0.000 -7.120) 7.120 6.894 ( -0.000 0.000 3.963) 3.963 6.894 ( -0.000 0.000 3.963) 3.963 7.507 ( 0.000 -0.000 -11.679) 11.679 8.912 ( -0.000 0.000 5.164) 5.164 10.734 ( -0.000 0.000 0.516) 0.516 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 8.642 4.990 6.750) 12.048 1.244 ( 16.150 9.324 11.312) 21.811 1.936 ( -0.322 -0.186 14.788) 14.793 4.648 ( 0.555 0.321 3.240) 3.303 4.803 ( 10.920 6.305 3.621) 13.119 5.727 ( 10.528 6.078 -5.880) 13.504 5.731 ( 5.530 3.193 -7.790) 10.073 6.850 ( -4.101 -2.367 3.299) 5.771 6.881 ( -2.411 -1.392 3.379) 4.378 7.459 ( -0.701 -0.405 -10.701) 10.732 8.981 ( 3.030 1.749 4.387) 5.611 10.488 ( -20.353 -11.751 1.008) 23.523 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 11.989 6.922 2.826) 14.130 1.626 ( 7.306 4.218 16.125) 18.198 2.089 ( 15.536 8.970 -0.600) 17.950 4.699 ( 2.880 1.663 2.830) 4.367 5.144 ( 16.523 9.539 3.961) 19.486 5.847 ( 6.957 4.017 -8.075) 11.390 6.019 ( 14.539 8.394 -3.635) 17.177 6.764 ( -3.390 -1.957 0.710) 3.978 6.812 ( -4.387 -2.533 2.767) 5.772 7.397 ( -1.377 -0.795 -9.057) 9.195 9.017 ( -2.183 -1.260 5.222) 5.798 9.889 ( -29.883 -17.253 0.017) 34.506 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.512 0.296 8.228) 8.250 1.736 ( 13.135 7.583 0.366) 15.171 2.593 ( 24.731 14.279 -2.266) 28.647 4.796 ( 4.594 2.652 1.816) 5.607 5.550 ( 16.770 9.682 3.309) 19.645 5.987 ( 7.628 4.404 -7.554) 11.604 6.290 ( 8.107 4.680 0.664) 9.384 6.715 ( -4.514 -2.606 2.718) 5.879 6.717 ( 0.157 0.091 -5.116) 5.119 7.338 ( -1.177 -0.680 -6.386) 6.529 8.910 ( -8.997 -5.194 4.763) 11.428 9.199 ( -27.754 -16.024 1.098) 32.066 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.089 1.206 1.008) 2.615 2.035 ( 12.611 7.281 -0.200) 14.564 3.119 ( 20.850 12.038 -2.826) 24.241 4.913 ( 4.969 2.869 0.523) 5.761 5.905 ( 12.370 7.142 2.848) 14.565 6.135 ( 7.121 4.111 -5.685) 9.996 6.385 ( 0.189 0.109 3.682) 3.688 6.643 ( -2.271 -1.311 2.722) 3.779 6.717 ( 1.699 0.981 -10.182) 10.369 7.295 ( -0.958 -0.553 -3.643) 3.808 8.524 ( -19.574 -11.301 -10.028) 24.727 8.841 ( -8.588 -4.958 17.909) 20.471 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 2.791 1.611 -2.813) 4.277 2.305 ( 10.492 6.057 0.505) 12.125 3.500 ( 13.036 7.526 -5.277) 15.951 5.024 ( 4.608 2.660 0.067) 5.321 6.108 ( 3.523 2.034 3.335) 5.260 6.259 ( 4.598 2.655 -1.913) 5.644 6.359 ( -2.388 -1.379 2.280) 3.578 6.639 ( 1.356 0.783 0.966) 1.840 6.727 ( 2.582 1.491 -9.465) 9.923 7.285 ( 1.412 0.815 -1.048) 1.939 8.139 ( -10.130 -5.849 -6.732) 13.497 8.772 ( -3.996 -2.307 16.540) 17.172 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 6.342 8.693) 10.760 1.356 ( -0.000 22.097 7.430) 23.313 1.986 ( -0.000 -2.517 12.554) 12.804 4.707 ( -0.000 2.359 1.991) 3.087 4.763 ( -0.000 10.353 4.237) 11.186 5.586 ( 0.000 1.068 -3.343) 3.509 5.807 ( 0.000 15.108 -7.604) 16.913 6.858 ( -0.000 -5.615 3.104) 6.416 6.892 ( -0.000 -2.476 2.792) 3.732 7.422 ( 0.000 -0.855 -9.305) 9.344 8.998 ( -0.000 3.682 3.716) 5.231 10.506 ( -0.000 -21.126 -0.003) 21.126 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.870 8.991 5.393) 14.399 1.670 ( 5.062 17.451 12.445) 22.024 2.010 ( 3.426 4.261 0.278) 5.475 4.726 ( -0.483 4.204 2.341) 4.836 5.010 ( 10.973 12.204 3.320) 16.744 5.694 ( 9.207 3.306 -2.383) 10.069 5.977 ( 4.502 16.069 -5.837) 17.680 6.783 ( -2.450 -5.653 1.800) 6.419 6.854 ( -2.202 -3.108 1.935) 4.273 7.374 ( -0.710 -1.266 -7.667) 7.804 9.039 ( -0.062 -0.576 4.028) 4.069 10.104 ( -17.661 -24.745 -1.388) 30.433 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 9.778 9.686 2.063) 13.917 1.794 ( -1.717 2.182 9.131) 9.544 2.362 ( 19.223 19.963 -3.336) 27.913 4.795 ( 1.672 5.522 2.092) 6.137 5.366 ( 15.148 10.559 1.354) 18.515 5.894 ( 8.253 7.366 -3.622) 11.640 6.216 ( 7.674 10.540 -1.056) 13.080 6.695 ( -1.718 -4.138 -1.300) 4.665 6.778 ( -3.597 -2.361 1.161) 4.457 7.321 ( -0.852 -1.411 -5.419) 5.664 8.985 ( -4.247 -6.570 5.309) 9.454 9.476 ( -24.801 -22.023 -2.196) 33.240 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.096 0.185 2.524) 2.758 1.959 ( 8.505 13.290 -0.028) 15.779 2.892 ( 20.111 16.735 -1.958) 26.236 4.899 ( 2.615 6.362 1.044) 6.957 5.725 ( 15.209 6.989 -0.083) 16.738 6.091 ( 5.641 10.452 -3.828) 12.479 6.386 ( 2.884 2.799 3.796) 5.529 6.640 ( 0.303 -2.387 -4.919) 5.476 6.710 ( -2.535 0.000 -0.566) 2.598 7.278 ( -0.477 -2.102 -3.172) 3.835 8.743 ( -19.281 -9.054 -8.139) 22.803 8.949 ( -9.222 -15.158 13.879) 22.526 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 1.860 1.255 -0.987) 2.452 2.240 ( 8.331 12.908 -0.042) 15.363 3.332 ( 14.890 11.338 -3.235) 18.993 5.013 ( 2.564 6.837 0.204) 7.304 6.005 ( 10.470 3.253 0.439) 10.972 6.259 ( 3.026 9.894 -2.305) 10.600 6.410 ( -2.516 -0.730 4.712) 5.391 6.618 ( 1.389 -1.118 -3.724) 4.128 6.697 ( 0.224 2.975 -3.483) 4.586 7.245 ( 1.186 -2.459 -1.890) 3.321 8.283 ( -16.858 -6.079 -8.761) 19.947 8.825 ( -1.306 -9.817 17.483) 20.093 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.000 12.679 6.220) 14.122 1.839 ( -0.000 6.732 14.326) 15.829 2.042 ( 0.000 17.122 -7.456) 18.675 4.765 ( 0.000 2.869 -0.139) 2.872 5.095 ( -0.000 18.341 5.547) 19.161 5.654 ( -0.000 6.095 1.829) 6.363 6.086 ( 0.000 16.482 -5.503) 17.377 6.747 ( -0.000 -6.682 1.581) 6.867 6.841 ( -0.000 -3.891 0.977) 4.012 7.341 ( 0.000 -1.442 -5.834) 6.010 9.034 ( -0.000 -4.670 4.277) 6.333 9.977 ( -0.000 -27.698 -5.255) 28.192 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 6.936 13.260 3.761) 15.430 1.849 ( -0.938 -2.954 5.981) 6.737 2.347 ( 8.200 27.626 -3.286) 29.004 4.820 ( 2.395 4.268 0.138) 4.896 5.336 ( 4.223 17.270 3.451) 18.111 5.821 ( 8.476 8.687 2.676) 12.428 6.245 ( 2.444 13.131 -2.767) 13.640 6.673 ( -1.419 -5.601 0.218) 5.782 6.792 ( -1.264 -3.631 0.061) 3.845 7.303 ( -0.680 -1.497 -3.721) 4.068 8.959 ( -1.141 -12.433 6.536) 14.092 9.564 ( -13.565 -23.157 -9.006) 28.308 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.402 1.149 1.410) 1.863 1.961 ( 7.879 12.693 1.245) 14.991 2.786 ( 13.296 22.731 -1.065) 26.356 4.925 ( 3.244 6.223 0.499) 7.035 5.603 ( 8.401 12.991 0.398) 15.476 6.080 ( 8.020 11.142 0.600) 13.742 6.388 ( 2.546 6.203 1.291) 6.828 6.600 ( -0.954 -3.518 -2.458) 4.396 6.738 ( -1.415 -1.763 -0.136) 2.265 7.259 ( -1.174 -2.363 -1.711) 3.145 8.813 ( -1.934 -16.106 8.862) 18.485 9.043 ( -18.696 -15.458 -9.366) 26.004 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 1.047 1.148 -0.102) 1.557 2.249 ( 7.959 15.411 -0.111) 17.345 3.213 ( 13.078 16.083 -1.045) 20.756 5.050 ( 2.770 8.036 0.209) 8.503 5.876 ( 9.907 8.895 -0.359) 13.319 6.301 ( 4.455 11.175 -0.826) 12.058 6.450 ( -0.344 0.380 3.575) 3.611 6.564 ( 1.036 -0.787 -4.457) 4.643 6.720 ( -0.234 1.342 0.041) 1.363 7.202 ( -0.937 -3.878 -0.848) 4.078 8.506 ( -18.950 -7.322 -10.346) 22.798 8.746 ( 1.693 -15.526 13.875) 20.891 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 15.556 3.741) 15.999 1.824 ( -0.000 -4.203 1.063) 4.335 2.564 ( 0.000 28.831 -1.050) 28.850 4.829 ( 0.000 4.140 -0.917) 4.240 5.531 ( 0.000 20.436 4.408) 20.906 5.838 ( -0.000 9.109 5.284) 10.531 6.343 ( 0.000 11.218 -2.410) 11.474 6.633 ( -0.000 -5.283 1.359) 5.455 6.759 ( 0.000 -4.009 -1.228) 4.193 7.286 ( 0.000 -1.254 -1.690) 2.105 8.827 ( -0.000 -20.684 7.861) 22.128 9.427 ( 0.000 -18.007 -14.707) 23.250 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -1.027 0.170 -0.341) 1.095 1.948 ( 7.941 13.689 1.809) 15.929 2.878 ( 4.644 25.263 0.414) 25.689 4.908 ( 4.027 5.017 -0.584) 6.460 5.710 ( -1.365 17.120 2.229) 17.319 6.047 ( 8.530 10.479 4.157) 14.137 6.427 ( 0.464 5.815 -2.544) 6.364 6.586 ( -1.248 -3.056 2.943) 4.422 6.720 ( 0.409 -2.746 -1.473) 3.143 7.259 ( -1.365 -1.654 0.172) 2.151 8.639 ( 1.384 -23.373 9.646) 25.323 9.124 ( -10.564 -11.533 -16.779) 22.937 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.000 0.084 -0.659) 0.664 2.026 ( 0.000 15.159 1.391) 15.222 3.091 ( 0.000 23.056 2.072) 23.148 4.918 ( 0.000 5.260 -0.512) 5.285 5.919 ( 0.000 15.376 0.192) 15.377 6.070 ( -0.000 9.391 5.929) 11.106 6.441 ( 0.000 0.542 -5.935) 5.960 6.610 ( -0.000 0.543 8.913) 8.929 6.674 ( 0.000 -2.601 -2.934) 3.921 7.265 ( -0.000 -0.843 1.780) 1.970 8.421 ( -0.000 -22.312 8.499) 23.876 9.045 ( 0.000 -9.195 -18.813) 20.940 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.000 0.000 6.443) 6.443 1.107 ( -0.000 0.000 6.443) 6.443 2.081 ( -0.000 0.000 14.291) 14.291 4.679 ( -0.000 0.000 2.509) 2.509 4.679 ( -0.000 0.000 2.509) 2.509 5.588 ( 0.000 -0.000 -4.995) 4.995 5.588 ( 0.000 -0.000 -4.995) 4.995 6.931 ( -0.000 0.000 2.600) 2.600 6.931 ( -0.000 0.000 2.600) 2.600 7.399 ( 0.000 -0.000 -7.754) 7.754 8.957 ( -0.000 0.000 3.120) 3.120 10.739 ( -0.000 0.000 0.350) 0.350 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 7.372 4.256 2.654) 8.917 1.348 ( 17.933 10.354 7.345) 21.972 2.065 ( -4.430 -2.557 8.426) 9.857 4.682 ( 0.590 0.341 2.892) 2.971 4.832 ( 11.182 6.456 1.427) 12.990 5.651 ( 4.911 2.835 -6.435) 8.577 5.684 ( 10.880 6.281 -1.838) 12.696 6.879 ( -4.481 -2.587 1.955) 5.531 6.911 ( -2.518 -1.454 1.890) 3.468 7.365 ( -0.744 -0.430 -6.272) 6.330 9.018 ( 3.205 1.850 2.465) 4.446 10.496 ( -20.167 -11.643 0.562) 23.293 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 11.150 6.437 -0.515) 12.885 1.795 ( 7.817 4.513 14.372) 16.971 2.057 ( 12.064 6.965 -5.200) 14.869 4.729 ( 2.578 1.488 2.621) 3.966 5.167 ( 16.686 9.634 0.074) 19.268 5.762 ( 6.756 3.901 -7.183) 10.604 6.003 ( 15.198 8.774 0.695) 17.563 6.768 ( -4.952 -2.859 -0.085) 5.719 6.836 ( -4.267 -2.463 1.534) 5.160 7.323 ( -1.069 -0.617 -4.365) 4.537 9.059 ( -1.540 -0.889 2.186) 2.818 9.898 ( -29.893 -17.258 1.662) 34.557 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 13.049 7.534 -1.865) 15.183 1.799 ( -2.832 -1.635 5.149) 6.100 2.569 ( 25.121 14.504 -1.650) 29.054 4.815 ( 4.010 2.315 1.572) 4.890 5.562 ( 17.149 9.901 -1.075) 19.831 5.906 ( 7.964 4.598 -6.968) 11.538 6.311 ( 9.651 5.572 2.838) 11.500 6.665 ( -3.047 -1.759 -4.108) 5.409 6.741 ( -4.142 -2.392 2.042) 5.201 7.290 ( -0.722 -0.417 -2.336) 2.480 8.901 ( -14.465 -8.351 -5.053) 17.450 9.277 ( -21.133 -12.201 11.713) 27.068 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.000 6.562 5.253) 8.406 1.408 ( 0.000 22.933 2.118) 23.031 2.090 ( -0.000 -6.501 6.175) 8.966 4.719 ( 0.000 1.706 0.050) 1.707 4.806 ( -0.000 11.438 3.363) 11.922 5.570 ( 0.000 2.732 0.352) 2.754 5.733 ( 0.000 14.575 -5.692) 15.647 6.884 ( -0.000 -5.643 1.532) 5.847 6.916 ( -0.000 -2.780 1.400) 3.113 7.345 ( 0.000 -0.846 -4.565) 4.642 9.027 ( -0.000 3.837 1.681) 4.189 10.505 ( -0.000 -22.157 -0.263) 22.158 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 7.348 9.797 1.871) 12.388 1.772 ( 11.218 23.957 5.380) 26.995 2.002 ( -2.057 -5.499 -0.990) 5.954 4.744 ( 0.735 3.284 0.910) 3.487 5.035 ( 9.274 13.293 1.102) 16.246 5.681 ( 6.163 5.674 -0.360) 8.385 5.929 ( 6.888 15.669 -2.496) 17.297 6.797 ( -3.140 -5.965 0.679) 6.775 6.868 ( -2.148 -3.503 0.672) 4.164 7.316 ( -0.628 -1.052 -2.718) 2.981 9.069 ( 0.290 0.356 1.391) 1.465 10.093 ( -16.773 -27.087 -0.552) 31.865 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 8.779 11.279 -1.145) 14.338 1.866 ( -3.777 -2.096 3.081) 5.306 2.334 ( 20.503 21.205 -1.090) 29.517 4.813 ( 1.854 4.907 1.210) 5.383 5.364 ( 14.232 10.940 -1.597) 18.022 5.856 ( 5.543 10.166 -3.453) 12.082 6.219 ( 9.827 10.260 1.559) 14.292 6.681 ( -3.534 -4.711 -1.107) 5.993 6.789 ( -3.208 -2.905 0.668) 4.379 7.287 ( -0.670 -1.120 -0.819) 1.540 9.006 ( -6.583 -5.346 -1.486) 8.610 9.487 ( -19.993 -24.588 4.388) 31.993 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.000 12.465 3.636) 12.984 1.937 ( 0.000 6.959 -10.923) 12.951 1.974 ( -0.000 15.196 9.564) 17.955 4.754 ( 0.000 2.786 -1.738) 3.283 5.147 ( 0.000 18.942 3.524) 19.267 5.693 ( -0.000 7.159 5.065) 8.770 6.031 ( 0.000 17.555 -4.125) 18.033 6.762 ( -0.000 -6.753 1.036) 6.832 6.845 ( -0.000 -4.526 -0.234) 4.532 7.304 ( 0.000 -1.133 -0.927) 1.464 9.064 ( -0.000 -2.623 1.165) 2.870 9.927 ( -0.000 -32.056 -3.682) 32.267 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.000 0.000 2.159) 2.159 1.154 ( -0.000 0.000 2.159) 2.159 2.187 ( -0.000 0.000 4.921) 4.921 4.698 ( -0.000 0.000 0.950) 0.950 4.698 ( -0.000 0.000 0.950) 0.950 5.550 ( 0.000 -0.000 -1.815) 1.815 5.550 ( 0.000 -0.000 -1.815) 1.815 6.950 ( -0.000 0.000 0.905) 0.905 6.950 ( -0.000 0.000 0.905) 0.905 7.341 ( 0.000 -0.000 -2.728) 2.728 8.980 ( -0.000 0.000 1.043) 1.043 10.741 ( -0.000 0.000 0.124) 0.124 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 5.20e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 6.361 3.672 -1.420) 7.481 1.404 ( 19.313 11.150 2.840) 22.481 2.118 ( -6.283 -3.628 1.136) 7.344 4.709 ( 0.914 0.528 1.779) 2.068 4.833 ( 10.767 6.216 -1.299) 12.500 5.594 ( 3.810 2.200 -3.877) 5.864 5.687 ( 11.737 6.777 2.395) 13.763 6.891 ( -4.738 -2.736 0.257) 5.477 6.922 ( -2.529 -1.460 0.225) 2.928 7.325 ( -0.752 -0.434 -0.918) 1.264 9.034 ( 3.323 1.919 0.412) 3.860 10.501 ( -19.822 -11.444 0.383) 22.891 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 962.332 962.332 2264.511 0.000 -0.000 0.000 3/40500 20.0 412.512 412.512 474.414 0.000 -0.000 0.000 3/40500 30.0 203.998 203.998 181.848 0.000 -0.000 0.000 3/40500 40.0 107.889 107.889 70.007 0.000 -0.000 0.000 3/40500 50.0 64.825 64.825 31.626 0.000 -0.000 0.000 3/40500 60.0 43.196 43.196 17.529 0.000 -0.000 0.000 3/40500 70.0 31.226 31.226 11.314 0.000 -0.000 0.000 3/40500 80.0 24.029 24.029 8.116 0.000 -0.000 0.000 3/40500 90.0 19.385 19.385 6.265 0.000 -0.000 0.000 3/40500 100.0 16.206 16.206 5.094 0.000 -0.000 0.000 3/40500 110.0 13.920 13.920 4.299 0.000 -0.000 0.000 3/40500 120.0 12.208 12.208 3.730 0.000 -0.000 0.000 3/40500 130.0 10.884 10.884 3.303 0.000 -0.000 0.000 3/40500 140.0 9.829 9.829 2.972 0.000 -0.000 0.000 3/40500 150.0 8.970 8.970 2.706 0.000 -0.000 0.000 3/40500 160.0 8.257 8.257 2.489 0.000 -0.000 0.000 3/40500 170.0 7.655 7.655 2.307 0.000 -0.000 0.000 3/40500 180.0 7.139 7.139 2.153 0.000 -0.000 0.000 3/40500 190.0 6.693 6.693 2.019 0.000 -0.000 0.000 3/40500 200.0 6.302 6.302 1.903 0.000 -0.000 0.000 3/40500 210.0 5.956 5.956 1.800 0.000 -0.000 0.000 3/40500 220.0 5.648 5.648 1.709 0.000 -0.000 0.000 3/40500 230.0 5.372 5.372 1.627 0.000 -0.000 0.000 3/40500 240.0 5.123 5.123 1.553 0.000 -0.000 0.000 3/40500 250.0 4.897 4.897 1.486 0.000 -0.000 0.000 3/40500 260.0 4.691 4.691 1.424 0.000 -0.000 0.000 3/40500 270.0 4.502 4.502 1.368 0.000 -0.000 0.000 3/40500 280.0 4.329 4.329 1.317 0.000 -0.000 0.000 3/40500 290.0 4.169 4.169 1.269 0.000 -0.000 0.000 3/40500 300.0 4.020 4.020 1.224 0.000 -0.000 0.000 3/40500 310.0 3.882 3.882 1.183 0.000 -0.000 0.000 3/40500 320.0 3.754 3.754 1.145 0.000 -0.000 0.000 3/40500 330.0 3.634 3.634 1.109 0.000 -0.000 0.000 3/40500 340.0 3.522 3.522 1.075 0.000 -0.000 0.000 3/40500 350.0 3.416 3.416 1.044 0.000 -0.000 0.000 3/40500 360.0 3.317 3.317 1.014 0.000 -0.000 0.000 3/40500 370.0 3.224 3.224 0.986 0.000 -0.000 0.000 3/40500 380.0 3.136 3.136 0.959 0.000 -0.000 0.000 3/40500 390.0 3.052 3.052 0.934 0.000 -0.000 0.000 3/40500 400.0 2.973 2.973 0.910 0.000 -0.000 0.000 3/40500 410.0 2.899 2.899 0.888 0.000 -0.000 0.000 3/40500 420.0 2.827 2.827 0.866 0.000 -0.000 0.000 3/40500 430.0 2.760 2.760 0.846 0.000 -0.000 0.000 3/40500 440.0 2.695 2.695 0.826 0.000 -0.000 0.000 3/40500 450.0 2.634 2.634 0.808 0.000 -0.000 0.000 3/40500 460.0 2.575 2.575 0.790 0.000 -0.000 0.000 3/40500 470.0 2.519 2.519 0.773 0.000 -0.000 0.000 3/40500 480.0 2.465 2.465 0.757 0.000 -0.000 0.000 3/40500 490.0 2.414 2.414 0.741 0.000 -0.000 0.000 3/40500 500.0 2.365 2.365 0.726 0.000 -0.000 0.000 3/40500 510.0 2.318 2.318 0.712 0.000 -0.000 0.000 3/40500 520.0 2.272 2.272 0.698 0.000 -0.000 0.000 3/40500 530.0 2.229 2.229 0.685 0.000 -0.000 0.000 3/40500 540.0 2.187 2.187 0.672 0.000 -0.000 0.000 3/40500 550.0 2.146 2.146 0.660 0.000 -0.000 0.000 3/40500 560.0 2.107 2.107 0.648 0.000 -0.000 0.000 3/40500 570.0 2.070 2.070 0.636 0.000 -0.000 0.000 3/40500 580.0 2.034 2.034 0.625 0.000 -0.000 0.000 3/40500 590.0 1.999 1.999 0.615 0.000 -0.000 0.000 3/40500 600.0 1.965 1.965 0.604 0.000 -0.000 0.000 3/40500 610.0 1.932 1.932 0.594 0.000 -0.000 0.000 3/40500 620.0 1.901 1.901 0.585 0.000 -0.000 0.000 3/40500 630.0 1.870 1.870 0.575 0.000 -0.000 0.000 3/40500 640.0 1.841 1.841 0.566 0.000 -0.000 0.000 3/40500 650.0 1.812 1.812 0.558 0.000 -0.000 0.000 3/40500 660.0 1.784 1.784 0.549 0.000 -0.000 0.000 3/40500 670.0 1.758 1.758 0.541 0.000 -0.000 0.000 3/40500 680.0 1.731 1.731 0.533 0.000 -0.000 0.000 3/40500 690.0 1.706 1.706 0.525 0.000 -0.000 0.000 3/40500 700.0 1.682 1.682 0.518 0.000 -0.000 0.000 3/40500 710.0 1.658 1.658 0.510 0.000 -0.000 0.000 3/40500 720.0 1.635 1.635 0.503 0.000 -0.000 0.000 3/40500 730.0 1.612 1.612 0.496 0.000 -0.000 0.000 3/40500 740.0 1.590 1.590 0.490 0.000 -0.000 0.000 3/40500 750.0 1.569 1.569 0.483 0.000 -0.000 0.000 3/40500 760.0 1.548 1.548 0.477 0.000 -0.000 0.000 3/40500 770.0 1.528 1.528 0.471 0.000 -0.000 0.000 3/40500 780.0 1.508 1.508 0.465 0.000 -0.000 0.000 3/40500 790.0 1.489 1.489 0.459 0.000 -0.000 0.000 3/40500 800.0 1.470 1.470 0.453 0.000 -0.000 0.000 3/40500 810.0 1.452 1.452 0.447 0.000 -0.000 0.000 3/40500 820.0 1.434 1.434 0.442 0.000 -0.000 0.000 3/40500 830.0 1.417 1.417 0.437 0.000 -0.000 0.000 3/40500 840.0 1.400 1.400 0.431 0.000 -0.000 0.000 3/40500 850.0 1.383 1.383 0.426 0.000 -0.000 0.000 3/40500 860.0 1.367 1.367 0.421 0.000 -0.000 0.000 3/40500 870.0 1.351 1.351 0.416 0.000 -0.000 0.000 3/40500 880.0 1.336 1.336 0.412 0.000 -0.000 0.000 3/40500 890.0 1.321 1.321 0.407 0.000 -0.000 0.000 3/40500 900.0 1.306 1.306 0.403 0.000 -0.000 0.000 3/40500 910.0 1.292 1.292 0.398 0.000 -0.000 0.000 3/40500 920.0 1.277 1.277 0.394 0.000 -0.000 0.000 3/40500 930.0 1.264 1.264 0.390 0.000 -0.000 0.000 3/40500 940.0 1.250 1.250 0.385 0.000 -0.000 0.000 3/40500 950.0 1.237 1.237 0.381 0.000 -0.000 0.000 3/40500 960.0 1.224 1.224 0.377 0.000 -0.000 0.000 3/40500 970.0 1.211 1.211 0.374 0.000 -0.000 0.000 3/40500 980.0 1.199 1.199 0.370 0.000 -0.000 0.000 3/40500 990.0 1.187 1.187 0.366 0.000 -0.000 0.000 3/40500 1000.0 1.175 1.175 0.362 0.000 -0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:43:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|