----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:43:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 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 2.006404793186421 1.158398347449533 6.380453023333327 b -2.006404793186418 1.158398347449533 6.380453023333327 c 0.000000000000002 -2.316796694899070 6.380453023333327 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Se 0.24817276026932 0.24817276026932 0.24817276026932 78.960 3 Se 0.75182723973068 0.75182723973068 0.75182723973068 78.960 *4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.012809586372839 0.000000000000000 0.000000000000000 b -2.006404793186420 3.475195042348604 0.000000000000000 c 0.000000000000000 0.000000000000000 19.141359070000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 Se 0.00000000000000 0.00000000000000 0.24817276026932 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.08516057306402 78.960 > 3 6 Se 0.66666666666667 0.33333333333333 0.58150609360265 78.960 > 2 7 Se 0.33333333333333 0.66666666666667 0.41849390639735 78.960 > 3 8 Se 0.33333333333333 0.66666666666667 0.91483942693598 78.960 > 2 9 Se 0.00000000000000 0.00000000000000 0.75182723973068 78.960 > 3 *10 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 11 Y 0.66666666666667 0.33333333333333 0.33333333333333 88.906 > 4 12 Y 0.33333333333333 0.66666666666667 0.66666666666667 88.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.038428759118517 0.000000000000000 0.000000000000000 b -6.019214379559260 10.425585127045812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.141359070000000 Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 Se 0.00000000000000 0.00000000000000 0.24817276026932 78.960 > 2 29 Se 0.33333333333333 0.00000000000000 0.24817276026932 78.960 > 2 30 Se 0.66666666666667 0.00000000000000 0.24817276026932 78.960 > 2 31 Se 0.00000000000000 0.33333333333333 0.24817276026932 78.960 > 2 32 Se 0.33333333333333 0.33333333333333 0.24817276026932 78.960 > 2 33 Se 0.66666666666667 0.33333333333333 0.24817276026932 78.960 > 2 34 Se 0.00000000000000 0.66666666666667 0.24817276026932 78.960 > 2 35 Se 0.33333333333333 0.66666666666667 0.24817276026932 78.960 > 2 36 Se 0.66666666666667 0.66666666666667 0.24817276026932 78.960 > 2 37 Se 0.22222222222222 0.11111111111111 0.08516057306402 78.960 > 3 38 Se 0.55555555555556 0.11111111111111 0.08516057306402 78.960 > 3 39 Se 0.88888888888889 0.11111111111111 0.08516057306402 78.960 > 3 40 Se 0.22222222222222 0.44444444444444 0.08516057306402 78.960 > 3 41 Se 0.55555555555556 0.44444444444444 0.08516057306402 78.960 > 3 42 Se 0.88888888888889 0.44444444444444 0.08516057306402 78.960 > 3 43 Se 0.22222222222222 0.77777777777778 0.08516057306402 78.960 > 3 44 Se 0.55555555555556 0.77777777777778 0.08516057306402 78.960 > 3 45 Se 0.88888888888889 0.77777777777778 0.08516057306402 78.960 > 3 46 Se 0.22222222222222 0.11111111111111 0.58150609360265 78.960 > 2 47 Se 0.55555555555556 0.11111111111111 0.58150609360265 78.960 > 2 48 Se 0.88888888888889 0.11111111111111 0.58150609360265 78.960 > 2 49 Se 0.22222222222222 0.44444444444444 0.58150609360265 78.960 > 2 50 Se 0.55555555555556 0.44444444444444 0.58150609360265 78.960 > 2 51 Se 0.88888888888889 0.44444444444444 0.58150609360265 78.960 > 2 52 Se 0.22222222222222 0.77777777777778 0.58150609360265 78.960 > 2 53 Se 0.55555555555556 0.77777777777778 0.58150609360265 78.960 > 2 54 Se 0.88888888888889 0.77777777777778 0.58150609360265 78.960 > 2 55 Se 0.11111111111111 0.22222222222222 0.41849390639735 78.960 > 3 56 Se 0.44444444444444 0.22222222222222 0.41849390639735 78.960 > 3 57 Se 0.77777777777778 0.22222222222222 0.41849390639735 78.960 > 3 58 Se 0.11111111111111 0.55555555555556 0.41849390639735 78.960 > 3 59 Se 0.44444444444444 0.55555555555556 0.41849390639735 78.960 > 3 60 Se 0.77777777777778 0.55555555555556 0.41849390639735 78.960 > 3 61 Se 0.11111111111111 0.88888888888889 0.41849390639735 78.960 > 3 62 Se 0.44444444444444 0.88888888888889 0.41849390639735 78.960 > 3 63 Se 0.77777777777778 0.88888888888889 0.41849390639735 78.960 > 3 64 Se 0.11111111111111 0.22222222222222 0.91483942693598 78.960 > 2 65 Se 0.44444444444444 0.22222222222222 0.91483942693598 78.960 > 2 66 Se 0.77777777777778 0.22222222222222 0.91483942693598 78.960 > 2 67 Se 0.11111111111111 0.55555555555556 0.91483942693598 78.960 > 2 68 Se 0.44444444444444 0.55555555555556 0.91483942693598 78.960 > 2 69 Se 0.77777777777778 0.55555555555556 0.91483942693598 78.960 > 2 70 Se 0.11111111111111 0.88888888888889 0.91483942693598 78.960 > 2 71 Se 0.44444444444444 0.88888888888889 0.91483942693598 78.960 > 2 72 Se 0.77777777777778 0.88888888888889 0.91483942693598 78.960 > 2 73 Se 0.00000000000000 0.00000000000000 0.75182723973068 78.960 > 3 74 Se 0.33333333333333 0.00000000000000 0.75182723973068 78.960 > 3 75 Se 0.66666666666667 0.00000000000000 0.75182723973068 78.960 > 3 76 Se 0.00000000000000 0.33333333333333 0.75182723973068 78.960 > 3 77 Se 0.33333333333333 0.33333333333333 0.75182723973068 78.960 > 3 78 Se 0.66666666666667 0.33333333333333 0.75182723973068 78.960 > 3 79 Se 0.00000000000000 0.66666666666667 0.75182723973068 78.960 > 3 80 Se 0.33333333333333 0.66666666666667 0.75182723973068 78.960 > 3 81 Se 0.66666666666667 0.66666666666667 0.75182723973068 78.960 > 3 *82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 4 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 4 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 4 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 4 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 4 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 4 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 4 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 4 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 4 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 4 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 4 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 4 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 4 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 4 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 4 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 4 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 4 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 4 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 4 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 4 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 4 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 4 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 4 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 4 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 4 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 4 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0324888 0.0000000 0.0000000 0.0000000 8.0324888 0.0000000 0.0000000 0.0000000 6.3227804 -------------------------- Born effective charges -------------------------- 1 Li 1.2820662 -0.0000000 0.0000000 0.0000000 1.2820662 0.0000000 0.0000000 0.0000000 1.7184807 2 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 3 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 4 Y 4.3821347 0.0000000 0.0000000 0.0000000 4.3821347 0.0000000 0.0000000 0.0000000 2.3173440 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.149 --------------------------------- 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: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 54 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (54, 51), data: True |-- (62, 62), 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 01:43:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:08]------------------------- 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 2.006404793186421 1.158398347449533 6.380453023333327 b -2.006404793186418 1.158398347449533 6.380453023333327 c 0.000000000000002 -2.316796694899070 6.380453023333327 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24817276026932 0.24817276026932 0.24817276026932 78.960 3 Se 0.75182723973068 0.75182723973068 0.75182723973068 78.960 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.038428759118517 0.000000000000000 0.000000000000000 b -6.019214379559260 10.425585127045812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.141359070000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.00000000000000 0.00000000000000 0.24817276026932 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24817276026932 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24817276026932 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24817276026932 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24817276026932 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24817276026932 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24817276026932 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24817276026932 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24817276026932 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08516057306402 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08516057306402 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08516057306402 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08516057306402 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08516057306402 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08516057306402 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08516057306402 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08516057306402 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08516057306402 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58150609360265 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58150609360265 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58150609360265 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58150609360265 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58150609360265 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58150609360265 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58150609360265 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58150609360265 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58150609360265 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41849390639735 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41849390639735 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41849390639735 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41849390639735 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41849390639735 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41849390639735 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41849390639735 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41849390639735 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41849390639735 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91483942693598 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91483942693598 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91483942693598 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91483942693598 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91483942693598 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91483942693598 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91483942693598 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91483942693598 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91483942693598 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75182723973068 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75182723973068 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75182723973068 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75182723973068 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75182723973068 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75182723973068 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75182723973068 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75182723973068 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75182723973068 78.960 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0324888 0.0000000 0.0000000 0.0000000 8.0324888 0.0000000 0.0000000 0.0000000 6.3227804 -------------------------- Born effective charges -------------------------- 1 Li 1.2820662 -0.0000000 0.0000000 0.0000000 1.2820662 0.0000000 0.0000000 0.0000000 1.7184807 2 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 3 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 4 Y 4.3821347 0.0000000 0.0000000 0.0000000 4.3821347 0.0000000 0.0000000 0.0000000 2.3173440 ---------------------------------------------------------------------------- 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 01:43:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:14]------------------------- 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 2.006404793186421 1.158398347449533 6.380453023333327 b -2.006404793186418 1.158398347449533 6.380453023333327 c 0.000000000000002 -2.316796694899070 6.380453023333327 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24817276026932 0.24817276026932 0.24817276026932 78.960 3 Se 0.75182723973068 0.75182723973068 0.75182723973068 78.960 4 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.038428759118517 0.000000000000000 0.000000000000000 b -6.019214379559260 10.425585127045812 0.000000000000000 c 0.000000000000000 0.000000000000000 19.141359070000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 Se 0.00000000000000 0.00000000000000 0.24817276026932 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24817276026932 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24817276026932 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24817276026932 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24817276026932 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24817276026932 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24817276026932 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24817276026932 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24817276026932 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08516057306402 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08516057306402 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08516057306402 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08516057306402 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08516057306402 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08516057306402 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08516057306402 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08516057306402 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08516057306402 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58150609360265 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58150609360265 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58150609360265 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58150609360265 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58150609360265 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58150609360265 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58150609360265 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58150609360265 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58150609360265 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41849390639735 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41849390639735 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41849390639735 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41849390639735 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41849390639735 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41849390639735 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41849390639735 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41849390639735 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41849390639735 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91483942693598 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91483942693598 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91483942693598 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91483942693598 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91483942693598 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91483942693598 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91483942693598 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91483942693598 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91483942693598 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75182723973068 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75182723973068 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75182723973068 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75182723973068 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75182723973068 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75182723973068 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75182723973068 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75182723973068 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75182723973068 78.960 > 37 82 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 82 83 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 82 84 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 82 85 Y 0.00000000000000 0.33333333333333 0.00000000000000 88.906 > 82 86 Y 0.33333333333333 0.33333333333333 0.00000000000000 88.906 > 82 87 Y 0.66666666666667 0.33333333333333 0.00000000000000 88.906 > 82 88 Y 0.00000000000000 0.66666666666667 0.00000000000000 88.906 > 82 89 Y 0.33333333333333 0.66666666666667 0.00000000000000 88.906 > 82 90 Y 0.66666666666667 0.66666666666667 0.00000000000000 88.906 > 82 91 Y 0.22222222222222 0.11111111111111 0.33333333333333 88.906 > 82 92 Y 0.55555555555556 0.11111111111111 0.33333333333333 88.906 > 82 93 Y 0.88888888888889 0.11111111111111 0.33333333333333 88.906 > 82 94 Y 0.22222222222222 0.44444444444444 0.33333333333333 88.906 > 82 95 Y 0.55555555555556 0.44444444444444 0.33333333333333 88.906 > 82 96 Y 0.88888888888889 0.44444444444444 0.33333333333333 88.906 > 82 97 Y 0.22222222222222 0.77777777777778 0.33333333333333 88.906 > 82 98 Y 0.55555555555556 0.77777777777778 0.33333333333333 88.906 > 82 99 Y 0.88888888888889 0.77777777777778 0.33333333333333 88.906 > 82 100 Y 0.11111111111111 0.22222222222222 0.66666666666667 88.906 > 82 101 Y 0.44444444444444 0.22222222222222 0.66666666666667 88.906 > 82 102 Y 0.77777777777778 0.22222222222222 0.66666666666667 88.906 > 82 103 Y 0.11111111111111 0.55555555555556 0.66666666666667 88.906 > 82 104 Y 0.44444444444444 0.55555555555556 0.66666666666667 88.906 > 82 105 Y 0.77777777777778 0.55555555555556 0.66666666666667 88.906 > 82 106 Y 0.11111111111111 0.88888888888889 0.66666666666667 88.906 > 82 107 Y 0.44444444444444 0.88888888888889 0.66666666666667 88.906 > 82 108 Y 0.77777777777778 0.88888888888889 0.66666666666667 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0324888 0.0000000 0.0000000 0.0000000 8.0324888 0.0000000 0.0000000 0.0000000 6.3227804 -------------------------- Born effective charges -------------------------- 1 Li 1.2820662 -0.0000000 0.0000000 0.0000000 1.2820662 0.0000000 0.0000000 0.0000000 1.7184807 2 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 3 Se -2.8321005 -0.0000000 0.0000000 0.0000000 -2.8321005 0.0000000 0.0000000 0.0000000 -2.0179124 4 Y 4.3821347 0.0000000 0.0000000 0.0000000 4.3821347 0.0000000 0.0000000 0.0000000 2.3173440 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.93, Number of G-points: 311, 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 4.63e-04 4.63e-04 0.00e+00 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 3.904 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 8.047 ( 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 19.385 11.192 5.328) 23.009 0.454 ( 19.951 11.519 2.499) 23.172 0.844 ( 36.782 21.236 4.677) 42.729 3.889 ( -1.748 -1.009 2.782) 3.437 3.920 ( 2.070 1.195 -3.921) 4.592 4.231 ( 2.222 1.283 -2.863) 3.844 4.546 ( 3.871 2.235 -0.462) 4.494 5.005 ( 1.413 0.816 -2.589) 3.060 5.204 ( -1.007 -0.582 9.997) 10.065 5.524 ( 0.845 0.488 3.116) 3.265 7.881 ( -1.048 -0.605 -34.675) 34.696 8.300 ( -10.760 -6.212 32.437) 34.735 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 19.878 11.477 4.274) 23.348 0.897 ( 19.295 11.140 1.261) 22.316 1.649 ( 34.374 19.846 2.582) 39.776 3.852 ( -2.545 -1.469 4.555) 5.421 3.967 ( 3.486 2.012 -5.142) 6.530 4.284 ( 3.661 2.114 -4.479) 6.159 4.629 ( 1.879 1.085 6.392) 6.750 5.067 ( 5.758 3.324 -4.238) 7.884 5.212 ( -1.585 -0.915 9.533) 9.707 5.558 ( 0.818 0.472 4.565) 4.662 7.658 ( -12.410 -7.165 -7.611) 16.226 8.132 ( -8.993 -5.192 -1.166) 10.450 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 17.789 10.270 -0.432) 20.545 1.349 ( 19.638 11.338 2.708) 22.838 2.368 ( 29.729 17.164 -0.440) 34.330 3.814 ( -2.369 -1.368 5.516) 6.157 4.031 ( 3.402 1.964 -2.820) 4.836 4.357 ( 4.227 2.440 -5.041) 7.017 4.667 ( -0.192 -0.111 7.715) 7.719 5.180 ( -1.944 -1.123 5.096) 5.569 5.236 ( 7.587 4.380 1.105) 8.830 5.582 ( -0.212 -0.122 3.857) 3.864 7.295 ( -18.857 -10.887 2.122) 21.877 7.901 ( -8.890 -5.133 -17.588) 20.365 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 15.025 8.675 -2.158) 17.483 1.773 ( 17.735 10.239 0.973) 20.502 2.934 ( 21.300 12.297 -3.447) 24.835 3.792 ( -1.338 -0.772 5.939) 6.137 4.107 ( 3.916 2.261 2.756) 5.295 4.431 ( 3.954 2.283 -4.917) 6.710 4.691 ( 0.112 0.064 6.849) 6.850 5.113 ( -4.673 -2.698 4.821) 7.236 5.427 ( 7.850 4.532 1.664) 9.216 5.571 ( -1.683 -0.972 1.735) 2.605 6.871 ( -19.687 -11.367 5.300) 23.343 7.619 ( -9.494 -5.481 -26.773) 28.931 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 10.879 6.281 -3.293) 12.986 2.127 ( 13.863 8.004 -0.355) 16.011 3.266 ( 10.041 5.797 -3.497) 12.110 3.799 ( 0.165 0.096 5.676) 5.679 4.231 ( 4.910 2.835 7.762) 9.613 4.493 ( 3.026 1.747 -4.210) 5.471 4.724 ( 1.404 0.810 4.839) 5.103 5.031 ( -3.255 -1.880 1.940) 4.230 5.522 ( -2.739 -1.581 -0.428) 3.191 5.563 ( 3.098 1.789 2.442) 4.331 6.501 ( -14.719 -8.498 7.566) 18.604 7.305 ( -9.430 -5.444 -30.970) 32.829 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.021 3.476 -2.996) 7.571 2.375 ( 8.609 4.970 -0.755) 9.969 3.398 ( 3.554 2.052 -0.619) 4.150 3.833 ( 1.127 0.651 4.252) 4.446 4.314 ( -0.468 -0.270 7.737) 7.756 4.534 ( 1.784 1.030 -2.904) 3.561 4.812 ( 5.303 3.062 1.744) 6.367 4.994 ( -0.646 -0.373 0.756) 1.063 5.457 ( -2.608 -1.506 -1.374) 3.310 5.564 ( -2.943 -1.699 0.204) 3.404 6.309 ( -5.571 -3.217 11.170) 12.890 7.005 ( -7.723 -4.459 -28.586) 29.945 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.791 1.034 -1.175) 2.379 2.501 ( 2.886 1.666 -0.339) 3.349 3.447 ( 1.047 0.604 0.345) 1.257 3.866 ( 0.650 0.375 1.591) 1.759 4.301 ( -1.339 -0.773 2.948) 3.329 4.553 ( 0.565 0.326 -1.051) 1.237 4.915 ( 2.546 1.470 0.248) 2.951 4.996 ( 0.316 0.183 0.453) 0.582 5.410 ( -1.083 -0.626 -0.709) 1.438 5.494 ( -2.045 -1.181 -0.489) 2.411 6.288 ( -0.680 -0.393 7.477) 7.518 6.797 ( -3.335 -1.925 -13.821) 14.347 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 0.000 21.491 5.627) 22.216 0.469 ( 0.000 22.017 5.882) 22.789 0.886 ( 0.000 41.121 11.713) 42.756 3.836 ( 0.000 -3.409 -6.869) 7.668 3.939 ( 0.000 3.532 -0.238) 3.540 4.276 ( -0.000 3.651 5.258) 6.401 4.489 ( 0.000 5.025 -9.842) 11.050 4.991 ( 0.000 1.042 -3.955) 4.090 5.227 ( -0.000 -4.155 12.566) 13.235 5.495 ( 0.000 -0.363 -2.429) 2.456 7.746 ( 0.000 6.041 -34.817) 35.337 8.484 ( -0.000 -18.408 40.820) 44.779 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 11.409 18.838 3.877) 22.362 0.796 ( 11.498 18.781 5.739) 22.756 1.474 ( 18.426 34.768 7.456) 40.049 3.823 ( 4.712 -3.861 -6.483) 8.896 3.946 ( -2.735 3.177 1.755) 4.544 4.304 ( -1.255 6.125 -1.940) 6.546 4.584 ( 6.344 0.680 2.168) 6.739 5.009 ( 2.721 3.029 -5.947) 7.208 5.233 ( 0.015 -3.216 10.354) 10.842 5.529 ( 4.108 -0.725 -0.670) 4.225 7.648 ( -2.596 -6.783 -16.660) 18.174 8.311 ( -13.643 -8.565 16.498) 23.058 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 13.551 15.166 0.957) 20.360 1.216 ( 14.846 17.595 4.887) 23.535 2.137 ( 22.314 26.877 2.403) 35.015 3.850 ( 2.230 -1.309 -1.244) 2.869 3.948 ( 1.398 0.180 1.197) 1.849 4.346 ( 0.664 6.064 -5.672) 8.330 4.674 ( 2.530 -1.016 7.166) 7.667 5.116 ( 7.169 3.813 -3.357) 8.787 5.232 ( -0.332 -2.158 7.804) 8.103 5.582 ( 2.373 -0.416 0.603) 2.484 7.405 ( -9.493 -14.166 -5.411) 17.891 8.024 ( -15.973 -4.090 -2.943) 16.749 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 13.505 11.905 -1.542) 18.069 1.642 ( 14.555 16.779 3.032) 22.418 2.713 ( 20.112 18.072 -1.968) 27.110 3.852 ( -2.304 1.796 3.878) 4.855 4.020 ( 7.025 -1.363 1.711) 7.358 4.398 ( 1.884 4.328 -5.454) 7.213 4.718 ( 0.686 0.906 5.960) 6.067 5.153 ( -2.133 -4.703 5.585) 7.606 5.344 ( 8.271 5.796 0.731) 10.126 5.594 ( -0.382 -0.795 0.214) 0.908 7.049 ( -14.274 -15.785 1.607) 21.342 7.689 ( -15.576 -3.351 -17.697) 23.812 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 11.504 8.516 -3.478) 14.729 2.027 ( 11.886 15.282 1.196) 19.397 3.114 ( 13.784 8.435 -3.663) 16.570 3.849 ( -2.047 2.228 4.774) 5.653 4.154 ( 7.834 -0.330 5.119) 9.364 4.462 ( 3.108 4.570 -3.405) 6.491 4.761 ( -0.089 3.027 4.211) 5.187 5.070 ( -3.910 -3.686 2.488) 5.922 5.504 ( 2.503 0.810 2.526) 3.648 5.579 ( 1.111 1.765 -0.240) 2.099 6.678 ( -14.397 -12.515 6.053) 20.013 7.328 ( -13.585 -4.460 -26.909) 30.472 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 8.114 5.051 -4.086) 10.395 2.326 ( 7.399 12.738 -0.034) 14.731 3.323 ( 7.203 2.408 -1.905) 7.830 3.865 ( -0.699 2.549 4.668) 5.365 4.258 ( 4.412 -4.749 4.389) 7.828 4.574 ( 2.470 8.872 -0.616) 9.230 4.804 ( 0.271 3.956 2.627) 4.757 4.996 ( -1.484 -1.980 -0.163) 2.479 5.470 ( -2.143 -2.124 -0.552) 3.068 5.635 ( -1.808 3.064 1.381) 3.817 6.414 ( -8.574 -6.736 9.868) 14.706 6.987 ( -9.344 -5.465 -28.301) 30.301 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 4.372 2.096 -3.004) 5.703 2.511 ( 2.127 9.447 -0.320) 9.689 3.413 ( 3.218 0.134 -0.725) 3.301 3.899 ( -0.776 3.366 3.101) 4.642 4.252 ( 1.490 -7.307 2.363) 7.823 4.654 ( -3.845 10.245 -0.617) 10.961 4.879 ( 3.515 2.242 0.896) 4.264 4.982 ( 1.029 -0.975 -0.064) 1.419 5.431 ( -1.118 0.713 -0.274) 1.354 5.577 ( -6.761 2.224 0.030) 7.117 6.316 ( -2.829 -2.712 3.981) 5.586 6.759 ( -1.908 -4.518 -13.280) 14.156 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.976 -0.110 -0.905) 1.335 2.575 ( -3.338 6.075 0.083) 6.932 3.436 ( 0.714 -1.195 -1.371) 1.954 3.908 ( -2.842 3.088 0.180) 4.201 4.217 ( 2.569 -6.153 -0.979) 6.739 4.666 ( -5.278 9.555 -0.788) 10.944 4.924 ( 0.211 -0.539 -0.060) 0.582 4.991 ( 0.464 -0.859 0.617) 1.154 5.437 ( -1.580 3.015 1.109) 3.580 5.518 ( -1.973 3.586 0.239) 4.100 6.245 ( -0.919 -1.940 -11.945) 12.136 6.774 ( 5.910 -1.072 14.179) 15.398 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -2.821 -2.174 1.224) 3.766 2.517 ( -9.100 2.831 0.677) 9.555 3.410 ( -1.056 -2.468 -1.332) 2.997 3.867 ( -3.712 1.582 -2.836) 4.932 4.216 ( 3.838 -4.155 -4.447) 7.195 4.656 ( -6.159 7.608 -0.212) 9.791 4.871 ( -4.429 -2.400 -0.510) 5.063 4.986 ( -0.258 -0.093 0.518) 0.586 5.442 ( 0.068 1.233 1.811) 2.192 5.578 ( 1.297 6.328 0.160) 6.461 6.205 ( 3.691 0.162 -13.318) 13.821 6.987 ( 9.792 1.704 26.239) 28.058 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -7.940 -4.398 2.293) 9.362 2.330 ( -14.969 -0.521 0.767) 14.997 3.338 ( -3.984 -4.767 1.012) 6.295 3.816 ( -2.428 1.947 -4.510) 5.479 4.202 ( 0.396 -4.196 -6.128) 7.437 4.587 ( -7.373 1.497 1.596) 7.691 4.773 ( -4.696 1.150 -3.134) 5.762 4.998 ( 1.102 1.271 0.043) 1.683 5.478 ( 2.281 0.219 0.961) 2.485 5.619 ( -2.294 2.676 -1.503) 3.831 6.318 ( 11.799 5.283 -8.256) 15.339 7.286 ( 11.104 3.421 28.070) 30.380 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -13.343 -6.014 1.868) 14.754 2.020 ( -19.804 -3.506 -0.028) 20.112 3.150 ( -13.581 -8.065 3.144) 16.105 3.797 ( -1.387 3.705 -4.895) 6.294 4.104 ( -2.954 -5.231 -4.227) 7.345 4.500 ( -3.893 -0.670 3.427) 5.229 4.707 ( -3.718 1.922 -5.734) 7.099 5.046 ( 3.075 1.624 -1.976) 4.000 5.482 ( -3.095 -2.325 -1.823) 4.278 5.578 ( -1.500 1.289 -0.404) 2.019 6.621 ( 18.654 7.949 -5.002) 20.884 7.598 ( 10.566 4.262 24.271) 26.812 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -17.675 -6.255 0.757) 18.765 1.620 ( -22.679 -5.008 -1.149) 23.254 2.734 ( -27.047 -9.240 2.095) 28.658 3.803 ( -0.380 4.364 -5.272) 6.854 4.015 ( -0.368 -6.418 0.674) 6.464 4.458 ( -4.155 1.426 5.892) 7.349 4.643 ( -1.793 -0.243 -8.178) 8.376 5.103 ( 3.698 0.022 -3.961) 5.419 5.339 ( -8.384 -3.411 -0.474) 9.063 5.584 ( -0.409 1.435 -1.721) 2.278 7.021 ( 21.814 6.945 -3.317) 23.132 7.874 ( 8.859 4.183 17.033) 19.650 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -20.750 -4.628 -0.115) 21.260 1.181 ( -23.718 -4.254 -1.624) 24.151 2.124 ( -36.285 -7.113 0.239) 36.977 3.831 ( 0.967 3.786 -4.359) 5.854 3.960 ( -0.044 -6.071 3.042) 6.790 4.408 ( -7.028 2.678 5.461) 9.294 4.598 ( 0.708 -1.786 -6.804) 7.070 5.138 ( 2.530 -1.515 -1.933) 3.526 5.170 ( -7.763 -1.495 -1.140) 7.987 5.568 ( -1.780 0.587 -2.094) 2.810 7.427 ( 20.891 3.891 -0.975) 21.272 8.082 ( 6.637 2.992 7.760) 10.641 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -23.567 -0.000 0.000) 23.567 0.771 ( -22.614 -0.000 0.000) 22.614 1.433 ( -41.390 -0.000 0.000) 41.390 3.867 ( 1.618 0.000 -0.000) 1.618 3.927 ( -0.629 -0.000 0.000) 0.629 4.317 ( -6.229 -0.000 0.000) 6.229 4.573 ( -1.439 -0.000 0.000) 1.439 5.052 ( -4.651 -0.000 0.000) 4.651 5.164 ( 1.731 0.000 -0.000) 1.731 5.533 ( -1.760 -0.000 0.000) 1.760 7.760 ( 16.347 0.000 -0.000) 16.347 8.200 ( 4.124 0.000 -0.000) 4.124 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 22.568 5.107) 23.139 0.920 ( 0.000 20.983 4.864) 21.540 1.725 ( 0.000 38.548 8.488) 39.471 3.714 ( 0.000 -3.495 -7.685) 8.443 4.026 ( 0.000 5.248 -0.032) 5.248 4.388 ( -0.000 3.987 4.523) 6.030 4.501 ( 0.000 0.916 -4.763) 4.850 4.993 ( 0.000 3.087 -6.607) 7.293 5.243 ( -0.000 -1.684 8.640) 8.803 5.470 ( 0.000 0.224 -3.342) 3.349 7.540 ( 0.000 -11.358 -10.410) 15.407 8.403 ( -0.000 -9.693 14.936) 17.805 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 5.616 19.075 2.823) 20.084 1.223 ( 8.865 21.447 5.362) 23.818 2.183 ( 8.872 33.462 4.375) 34.893 3.711 ( 6.051 -2.760 -6.136) 9.049 4.031 ( -4.438 3.563 2.533) 6.229 4.389 ( -1.828 4.443 -4.656) 6.690 4.598 ( 7.635 -1.347 4.867) 9.154 5.036 ( 4.351 3.398 -5.339) 7.680 5.250 ( -0.919 -0.465 6.047) 6.134 5.507 ( 4.278 0.198 -3.094) 5.283 7.340 ( -4.055 -17.500 -5.519) 18.792 8.250 ( -12.920 -5.432 5.971) 15.234 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 8.145 15.429 0.159) 17.448 1.620 ( 11.774 20.618 4.737) 24.211 2.640 ( 11.396 23.579 -1.026) 26.208 3.814 ( 9.235 0.271 -2.950) 9.698 3.990 ( -3.853 0.769 5.043) 6.393 4.400 ( 0.514 3.810 -5.526) 6.732 4.707 ( 4.011 0.031 5.426) 6.748 5.133 ( 3.444 -1.726 3.809) 5.417 5.280 ( 3.930 4.403 -1.623) 6.121 5.557 ( 2.587 -0.784 -2.905) 3.968 7.046 ( -7.257 -20.014 -2.629) 21.451 7.940 ( -19.810 -2.233 -3.888) 20.311 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 8.616 11.365 -2.507) 14.480 2.021 ( 10.777 19.959 3.457) 22.944 2.987 ( 10.693 11.980 -3.594) 16.455 3.923 ( -1.631 2.957 1.489) 3.690 4.017 ( 8.576 -1.373 3.514) 9.369 4.452 ( 2.701 5.450 -2.268) 6.491 4.778 ( 2.182 1.294 3.336) 4.191 5.117 ( -3.291 -1.323 2.937) 4.605 5.452 ( 9.396 4.298 0.049) 10.333 5.548 ( -0.527 -2.260 -2.857) 3.681 6.729 ( -7.637 -17.740 0.426) 19.318 7.538 ( -22.543 -1.321 -12.974) 26.043 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 7.488 7.267 -4.073) 11.202 2.365 ( 6.833 18.504 1.875) 19.814 3.211 ( 8.532 4.270 -2.235) 9.799 3.919 ( -1.254 1.481 4.317) 4.734 4.142 ( 6.194 -2.807 0.359) 6.809 4.588 ( 5.137 8.874 0.758) 10.282 4.833 ( 1.847 1.082 2.731) 3.469 5.047 ( -5.329 1.724 -1.569) 5.816 5.490 ( -2.255 -1.734 -1.484) 3.208 5.625 ( 6.367 2.013 0.452) 6.693 6.488 ( -5.081 -11.676 6.809) 14.440 7.098 ( -20.617 -2.094 -20.095) 28.866 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 5.349 3.784 -3.919) 7.635 2.605 ( 1.569 15.634 0.789) 15.733 3.344 ( 5.182 0.944 -0.867) 5.338 3.951 ( 0.465 2.944 4.382) 5.299 4.167 ( 1.769 -5.109 -0.118) 5.408 4.758 ( 4.143 8.218 -0.039) 9.203 4.882 ( 0.871 2.250 3.208) 4.014 4.973 ( -3.751 1.503 -4.114) 5.767 5.455 ( -0.605 1.205 -0.640) 1.493 5.682 ( -1.381 1.428 -0.977) 2.214 6.381 ( -4.467 -4.171 10.327) 12.000 6.727 ( -9.294 -4.397 -17.663) 20.437 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 2.806 1.271 -2.443) 3.932 2.724 ( -3.525 12.217 0.639) 12.731 3.399 ( 1.926 -0.743 -1.166) 2.371 3.998 ( -1.930 4.964 1.715) 5.595 4.123 ( 0.827 -6.334 -0.496) 6.407 4.852 ( -3.598 9.529 -3.424) 10.745 4.902 ( 0.144 0.410 -0.360) 0.564 4.963 ( 2.423 -0.387 1.888) 3.096 5.487 ( 0.682 4.093 0.837) 4.233 5.630 ( -5.665 3.159 -0.064) 6.487 6.235 ( -7.282 -1.769 -12.276) 14.382 6.682 ( 7.629 -3.779 11.974) 14.692 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.144 -0.622 -0.544) 0.838 2.728 ( -8.710 9.111 1.071) 12.650 3.392 ( -0.372 -2.093 -1.746) 2.751 3.950 ( -5.568 0.203 -2.652) 6.170 4.118 ( 2.892 -1.513 -1.188) 3.473 4.826 ( -5.426 6.236 -4.203) 9.273 4.895 ( -1.405 -2.218 0.088) 2.627 5.012 ( -0.031 3.804 3.818) 5.390 5.504 ( -3.783 2.109 2.624) 5.064 5.624 ( 0.065 6.347 -0.832) 6.401 6.109 ( 0.584 -1.197 -14.663) 14.723 6.892 ( 12.024 -1.084 21.942) 25.044 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -4.342 -2.300 0.866) 4.989 2.609 ( -14.841 5.640 1.291) 15.929 3.339 ( -1.828 -3.883 -1.194) 4.455 3.858 ( -2.853 -0.533 -3.947) 4.899 4.144 ( 1.223 -0.134 -2.725) 2.990 4.748 ( -8.595 1.658 -1.005) 8.811 4.828 ( -2.692 -1.553 -1.483) 3.443 5.055 ( -2.595 6.888 3.111) 7.991 5.477 ( -1.297 1.053 1.561) 2.287 5.660 ( -1.013 1.158 -2.551) 2.979 6.157 ( 8.964 3.502 -8.452) 12.808 7.187 ( 13.756 0.823 22.165) 26.099 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -9.841 -3.267 1.069) 10.425 2.351 ( -20.529 1.581 0.623) 20.599 3.243 ( -5.099 -4.991 0.520) 7.154 3.831 ( 0.107 1.876 -2.969) 3.513 4.111 ( -3.573 -1.699 -2.951) 4.935 4.597 ( -8.193 -0.476 0.996) 8.267 4.769 ( -3.082 -0.086 -2.741) 4.125 5.074 ( -3.211 5.490 1.144) 6.462 5.491 ( 0.405 1.280 -0.885) 1.608 5.605 ( -2.291 -2.895 -1.130) 3.861 6.386 ( 15.074 5.320 -4.001) 16.479 7.500 ( 13.568 1.860 17.217) 21.999 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -15.056 -2.632 0.469) 15.291 1.981 ( -23.821 -0.811 -0.128) 23.836 3.041 ( -15.582 -3.830 1.156) 16.088 3.858 ( -0.115 4.559 -2.212) 5.068 3.985 ( -5.230 -4.838 -0.908) 7.182 4.518 ( -1.722 0.279 2.025) 2.673 4.691 ( -5.306 0.031 -3.171) 6.182 5.072 ( -0.739 1.498 -0.621) 1.782 5.438 ( -6.313 -0.955 -1.116) 6.482 5.586 ( 1.244 -0.070 0.024) 1.247 6.711 ( 19.787 3.331 -1.835) 20.149 7.777 ( 11.865 1.683 9.232) 15.127 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -18.835 -0.000 0.000) 18.835 1.567 ( -24.803 -0.000 0.000) 24.803 2.648 ( -29.030 -0.000 0.000) 29.030 3.862 ( -2.863 -0.000 0.000) 2.863 3.915 ( 1.442 0.000 -0.000) 1.442 4.538 ( 2.040 0.000 -0.000) 2.040 4.570 ( -7.814 -0.000 0.000) 7.814 5.085 ( 1.899 0.000 -0.000) 1.899 5.303 ( -8.518 -0.000 0.000) 8.518 5.593 ( -0.744 -0.000 0.000) 0.744 7.078 ( 22.296 0.000 -0.000) 22.296 7.980 ( 9.295 0.000 -0.000) 9.295 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.000 18.848 2.976) 19.081 1.379 ( 0.000 23.006 4.392) 23.422 2.460 ( 0.000 32.965 3.351) 33.135 3.608 ( 0.000 -2.136 -6.296) 6.649 4.123 ( 0.000 3.947 1.167) 4.116 4.459 ( 0.000 -2.039 -2.191) 2.993 4.482 ( -0.000 3.296 2.184) 3.954 5.009 ( 0.000 2.109 -4.394) 4.874 5.288 ( -0.000 2.140 3.110) 3.775 5.467 ( 0.000 1.685 -2.419) 2.949 7.170 ( -0.000 -21.692 -3.561) 21.983 8.330 ( -0.000 -5.378 5.450) 7.656 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.831 16.532 1.028) 16.804 1.677 ( 7.467 21.926 4.285) 23.556 2.772 ( 1.866 25.455 -1.071) 25.546 3.646 ( 8.140 0.057 -4.207) 9.164 4.100 ( -5.501 0.908 3.841) 6.771 4.415 ( -0.635 2.633 -3.504) 4.428 4.619 ( 8.081 0.379 3.407) 8.778 5.046 ( 4.478 -0.268 -1.011) 4.599 5.305 ( -1.483 4.065 -1.005) 4.442 5.506 ( 2.533 1.765 -2.016) 3.687 6.911 ( -3.110 -23.524 -3.064) 23.925 8.192 ( -12.444 -3.334 1.363) 12.955 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 4.234 12.813 -1.583) 13.587 2.055 ( 10.739 20.860 4.197) 23.834 2.987 ( 2.742 14.281 -4.002) 15.083 3.821 ( 11.573 1.962 -3.372) 12.213 4.022 ( -4.752 -1.548 5.294) 7.280 4.464 ( 2.119 6.691 -0.816) 7.066 4.741 ( 4.584 0.374 2.574) 5.271 5.123 ( 4.303 -2.093 2.539) 5.416 5.339 ( 3.182 4.105 -5.466) 7.540 5.544 ( 0.543 1.493 -0.886) 1.819 6.622 ( -3.437 -21.544 -2.706) 21.984 7.880 ( -21.302 -1.399 -3.654) 21.658 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 4.783 8.665 -3.638) 10.545 2.438 ( 9.124 20.293 3.561) 22.533 3.134 ( 4.970 6.413 -2.704) 8.552 3.963 ( -2.167 -1.326 4.438) 5.114 3.994 ( 8.933 -0.865 -2.994) 9.461 4.600 ( 4.022 9.155 1.360) 10.091 4.805 ( 2.449 -0.063 2.306) 3.364 5.140 ( -2.021 2.012 -1.671) 3.305 5.425 ( 5.753 -1.857 -6.382) 8.791 5.572 ( 1.487 3.117 2.396) 4.203 6.399 ( -0.039 -16.180 0.499) 16.188 7.451 ( -26.272 -0.203 -8.346) 27.567 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 4.543 5.077 -4.119) 7.961 2.743 ( 3.279 18.694 2.278) 19.115 3.262 ( 5.796 2.342 -0.585) 6.278 3.960 ( 1.399 -1.100 6.110) 6.364 4.085 ( 4.396 -0.828 -3.697) 5.803 4.736 ( 3.766 3.757 -0.877) 5.392 4.862 ( 2.893 1.437 3.036) 4.433 5.096 ( -5.373 5.012 -4.769) 8.760 5.448 ( 2.098 -0.270 -3.366) 3.976 5.651 ( 3.396 1.030 -1.405) 3.817 6.338 ( 5.445 -9.272 9.130) 14.106 6.971 ( -26.344 0.243 -11.818) 28.874 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 3.462 2.513 -3.148) 5.311 2.916 ( -2.619 15.293 1.610) 15.598 3.351 ( 3.243 0.353 -0.301) 3.276 4.020 ( 3.323 -0.592 4.706) 5.792 4.099 ( -1.175 0.714 -2.350) 2.723 4.807 ( 4.824 -0.807 -2.555) 5.518 4.911 ( 1.233 -1.736 -0.987) 2.347 5.062 ( -4.751 9.693 -1.180) 10.859 5.490 ( 2.756 1.930 -0.836) 3.467 5.683 ( 1.023 1.007 -3.481) 3.765 6.394 ( -6.270 -0.874 6.895) 9.360 6.581 ( -5.776 -3.254 -3.801) 7.641 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 1.558 0.755 -1.575) 2.340 2.972 ( -7.087 12.177 1.813) 14.205 3.373 ( 0.172 -1.213 -0.846) 1.489 3.999 ( -3.695 -4.508 -2.779) 6.457 4.108 ( 0.078 4.204 1.456) 4.449 4.863 ( 3.044 -2.064 -0.623) 3.730 4.879 ( -0.571 -1.116 -4.615) 4.782 5.110 ( -1.859 9.656 2.636) 10.181 5.548 ( 1.785 0.464 1.130) 2.163 5.702 ( -0.973 4.657 -1.090) 4.880 6.131 ( -12.429 0.258 -11.492) 16.929 6.726 ( 13.387 -2.840 16.036) 21.081 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -1.337 -0.505 -0.223) 1.447 2.921 ( -12.707 9.146 2.083) 15.795 3.330 ( -1.977 -3.239 -1.509) 4.084 3.873 ( -3.673 -3.689 -3.572) 6.313 4.147 ( -0.069 2.894 -0.258) 2.907 4.829 ( -1.494 -1.155 -2.442) 3.087 4.862 ( -2.866 -1.018 -0.274) 3.054 5.189 ( -1.223 9.282 3.428) 9.970 5.549 ( -3.046 0.111 3.742) 4.826 5.678 ( -4.556 0.257 -4.523) 6.425 6.038 ( 4.639 2.343 -7.733) 9.318 7.006 ( 15.429 -0.902 14.710) 21.337 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -5.632 -0.997 0.292) 5.727 2.719 ( -19.668 3.657 0.990) 20.030 3.259 ( -2.125 -2.821 -0.770) 3.615 3.814 ( 0.448 -0.907 -1.911) 2.162 4.151 ( -1.816 1.127 -0.778) 2.274 4.749 ( -8.944 -0.173 -0.183) 8.947 4.790 ( -1.532 -1.064 -0.746) 2.009 5.235 ( -5.813 7.050 2.581) 9.494 5.500 ( -1.659 0.600 0.281) 1.786 5.591 ( -1.298 -4.188 -2.715) 5.157 6.196 ( 11.383 2.860 -2.499) 12.000 7.307 ( 15.886 0.197 8.607) 18.069 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -10.717 -0.000 0.000) 10.717 2.373 ( -23.132 -0.000 0.000) 23.132 3.190 ( -5.345 -0.000 0.000) 5.345 3.839 ( 2.578 0.000 -0.000) 2.578 4.088 ( -6.487 -0.000 0.000) 6.487 4.596 ( -7.745 -0.000 0.000) 7.745 4.753 ( -2.609 -0.000 0.000) 2.609 5.149 ( -6.794 -0.000 0.000) 6.794 5.520 ( -3.916 -0.000 0.000) 3.916 5.539 ( 3.418 0.000 -0.000) 3.418 6.429 ( 15.514 0.000 -0.000) 15.514 7.580 ( 14.542 0.000 -0.000) 14.542 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 15.089 0.085) 15.089 1.832 ( 0.000 20.878 3.170) 21.117 2.994 ( 0.000 21.463 -3.424) 21.734 3.558 ( 0.000 0.831 -3.488) 3.585 4.174 ( -0.000 -1.282 4.528) 4.706 4.444 ( 0.000 2.991 0.144) 2.995 4.543 ( 0.000 2.295 0.035) 2.295 5.001 ( 0.000 -1.162 -0.611) 1.313 5.362 ( 0.000 5.116 -2.537) 5.711 5.501 ( 0.000 2.901 -0.795) 3.008 6.688 ( -0.000 -24.862 -3.722) 25.139 8.269 ( -0.000 -3.569 1.431) 3.845 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 1.118 11.901 -1.977) 12.115 2.098 ( 7.707 18.614 2.750) 20.333 3.114 ( -2.672 12.732 -5.257) 14.031 3.652 ( 8.975 2.704 -2.663) 9.744 4.104 ( -5.445 -4.072 5.523) 8.760 4.511 ( 1.252 9.109 1.263) 9.281 4.644 ( 7.650 0.578 0.465) 7.685 5.011 ( 3.636 -2.958 0.099) 4.688 5.381 ( -1.998 5.518 -3.893) 7.043 5.545 ( 1.484 2.937 -0.318) 3.306 6.430 ( -1.078 -22.882 -4.403) 23.326 8.138 ( -11.989 -2.613 -0.563) 12.284 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.981 8.006 -3.863) 9.107 2.450 ( 12.230 16.973 2.871) 21.116 3.159 ( -0.691 7.191 -3.409) 7.988 3.824 ( 9.562 1.377 -2.910) 10.089 4.001 ( -3.650 -4.190 4.759) 7.316 4.642 ( 2.078 8.602 1.888) 9.049 4.765 ( 4.764 2.207 1.401) 5.434 5.063 ( 6.770 -4.225 -2.378) 8.327 5.387 ( -1.427 4.891 -4.398) 6.731 5.594 ( 0.836 2.903 1.052) 3.199 6.214 ( 1.369 -17.909 -3.088) 18.224 7.832 ( -21.317 -1.215 -3.043) 21.567 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.993 4.779 -4.348) 7.120 2.818 ( 10.484 16.172 2.551) 19.441 3.216 ( 2.273 3.555 -0.835) 4.301 3.935 ( 1.774 -3.726 6.454) 7.661 3.982 ( 5.605 1.966 -4.349) 7.362 4.713 ( 1.210 0.724 -1.206) 1.856 4.860 ( 1.429 3.586 3.004) 4.891 5.124 ( 4.757 0.142 -5.660) 7.394 5.401 ( 0.348 3.122 -4.026) 5.106 5.632 ( 0.578 1.663 -0.012) 1.761 6.145 ( 7.612 -10.903 3.283) 13.696 7.406 ( -27.042 0.170 -5.006) 27.502 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 3.418 2.641 -3.389) 5.490 3.080 ( 2.043 14.041 1.477) 14.266 3.295 ( 4.212 1.041 0.650) 4.387 3.973 ( 3.232 -0.858 5.911) 6.792 4.081 ( 4.244 2.231 -2.781) 5.543 4.718 ( 2.154 -2.380 -3.284) 4.592 4.878 ( 0.050 -2.072 -0.588) 2.154 5.188 ( 0.011 7.328 -2.597) 7.775 5.434 ( 2.994 0.504 -2.756) 4.101 5.649 ( 1.519 0.719 -3.149) 3.570 6.268 ( 12.397 -5.121 9.920) 16.683 6.927 ( -28.331 1.102 -5.867) 28.953 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.705 1.225 -1.840) 3.493 3.182 ( -3.539 10.385 1.521) 11.076 3.352 ( 1.492 -0.385 0.191) 1.553 4.011 ( -1.663 -0.414 1.201) 2.093 4.142 ( 1.410 2.148 0.140) 2.573 4.748 ( 6.166 -2.475 -2.839) 7.225 4.848 ( 0.182 -2.658 -2.046) 3.359 5.240 ( -2.180 8.331 0.097) 8.613 5.484 ( 4.287 -1.928 -1.093) 4.826 5.694 ( 3.579 2.203 -2.676) 4.982 6.433 ( -15.225 1.625 1.120) 15.353 6.529 ( 4.111 -2.850 4.114) 6.476 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.901 0.259 -0.545) 1.084 3.188 ( -7.477 7.972 1.893) 11.092 3.331 ( -1.967 -2.868 -0.850) 3.580 3.914 ( -6.361 -2.193 -1.567) 6.908 4.175 ( 0.068 1.774 0.286) 1.799 4.821 ( 0.558 -1.564 0.374) 1.702 4.834 ( 4.142 -0.572 -2.373) 4.808 5.284 ( -0.871 5.894 1.042) 6.048 5.526 ( 3.375 -2.269 0.276) 4.076 5.768 ( 0.800 2.218 -0.692) 2.457 6.088 ( -15.341 0.634 -4.135) 15.901 6.771 ( 15.785 -1.101 6.772) 17.212 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -1.867 -0.000 0.000) 1.867 3.045 ( -15.597 -0.000 0.000) 15.597 3.272 ( -1.856 -0.000 0.000) 1.856 3.818 ( -2.660 -0.000 0.000) 2.660 4.178 ( -0.767 -0.000 0.000) 0.767 4.805 ( -1.031 -0.000 0.000) 1.031 4.851 ( -2.619 -0.000 0.000) 2.619 5.320 ( 0.466 0.000 -0.000) 0.466 5.556 ( 1.497 0.000 -0.000) 1.497 5.637 ( -13.019 -0.000 0.000) 13.019 6.046 ( 6.959 0.000 -0.000) 6.959 7.050 ( 16.572 0.000 -0.000) 16.572 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 9.134 -3.485) 9.777 2.196 ( 0.000 14.842 1.185) 14.889 3.219 ( 0.000 6.929 -7.231) 10.015 3.606 ( 0.000 5.510 0.257) 5.516 4.123 ( -0.000 -7.794 6.733) 10.299 4.570 ( 0.000 0.884 -1.378) 1.637 4.610 ( 0.000 12.323 2.606) 12.595 4.959 ( -0.000 -2.836 0.112) 2.838 5.441 ( 0.000 5.366 -4.139) 6.777 5.559 ( 0.000 3.031 0.334) 3.050 6.206 ( -0.000 -21.003 -5.572) 21.730 8.210 ( -0.000 -2.976 -0.355) 2.998 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.365 5.561 -4.796) 7.353 2.404 ( 9.349 11.670 0.769) 14.973 3.223 ( -1.336 3.346 -5.108) 6.250 3.722 ( 5.520 5.969 0.670) 8.157 4.028 ( -3.553 -7.332 5.534) 9.850 4.629 ( 5.472 -0.985 -0.746) 5.610 4.763 ( 2.597 13.011 2.135) 13.439 4.943 ( 1.670 -3.580 -0.823) 4.035 5.457 ( -1.953 4.918 -3.493) 6.340 5.603 ( 1.438 2.725 0.598) 3.139 6.010 ( 1.106 -16.599 -5.150) 17.414 8.084 ( -11.431 -2.291 -1.220) 11.722 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 1.623 2.957 -4.650) 5.744 2.722 ( 15.299 9.764 1.099) 18.182 3.226 ( 0.401 1.826 -2.293) 2.959 3.876 ( 5.536 4.631 2.045) 7.501 3.943 ( -0.937 -3.860 2.671) 4.787 4.681 ( 2.445 -1.923 -1.113) 3.303 4.898 ( -0.941 1.692 1.961) 2.756 4.980 ( 8.260 3.408 -3.600) 9.634 5.455 ( -2.270 4.384 -2.942) 5.747 5.641 ( 0.058 0.975 -0.287) 1.018 5.926 ( 6.705 -9.925 -0.618) 11.993 7.792 ( -20.601 -1.030 -2.122) 20.736 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 3.018 1.621 -3.186) 4.678 3.064 ( 13.464 7.972 0.826) 15.669 3.256 ( 2.028 0.978 -0.178) 2.259 3.931 ( 2.929 -1.446 4.876) 5.869 4.021 ( 4.596 4.391 -0.911) 6.421 4.669 ( 0.003 -2.888 -2.539) 3.846 4.863 ( -1.086 -2.827 -1.157) 3.242 5.157 ( 7.686 4.860 -1.693) 9.250 5.442 ( -2.362 2.608 -2.275) 4.190 5.628 ( 0.038 -0.721 -2.063) 2.186 6.038 ( 12.473 -3.778 4.591) 13.818 7.384 ( -26.497 0.155 -2.406) 26.607 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 3.411 0.749 -1.364) 3.750 3.271 ( 2.818 5.392 -0.599) 6.113 3.309 ( 3.744 -0.478 1.362) 4.012 4.032 ( 4.843 2.289 4.619) 7.074 4.097 ( 2.084 0.576 -2.197) 3.083 4.638 ( 2.078 -2.559 -2.483) 4.127 4.822 ( -0.440 -1.779 -0.968) 2.072 5.304 ( 4.673 4.699 -0.386) 6.638 5.411 ( -1.051 -1.303 -1.282) 2.109 5.642 ( 2.762 0.316 -1.437) 3.129 6.261 ( 14.756 -1.410 4.313) 15.437 6.918 ( -28.491 0.545 -1.782) 28.552 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.571 0.000 -0.000) 2.571 3.307 ( -1.276 -0.000 0.000) 1.276 3.334 ( -0.636 -0.000 0.000) 0.636 4.021 ( -6.572 -0.000 0.000) 6.572 4.159 ( 3.445 0.000 -0.000) 3.445 4.708 ( 7.708 0.000 -0.000) 7.708 4.811 ( 0.304 0.000 -0.000) 0.304 5.346 ( -2.718 -0.000 0.000) 2.718 5.435 ( 5.610 0.000 -0.000) 5.610 5.709 ( 4.890 0.000 -0.000) 4.890 6.456 ( -26.331 -0.000 0.000) 26.331 6.516 ( 15.530 0.000 -0.000) 15.530 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 2.597 -5.416) 6.007 2.410 ( 0.000 7.350 -0.357) 7.359 3.224 ( 0.000 -0.605 -4.735) 4.773 3.760 ( 0.000 8.481 2.845) 8.945 4.001 ( -0.000 -8.104 5.352) 9.712 4.557 ( 0.000 -0.936 -2.091) 2.291 4.863 ( 0.000 7.310 -0.824) 7.357 4.919 ( -0.000 2.209 2.588) 3.403 5.506 ( 0.000 3.809 -2.841) 4.752 5.614 ( 0.000 2.162 0.637) 2.254 5.838 ( 0.000 -12.818 -5.368) 13.897 8.153 ( -0.000 -2.353 -0.865) 2.507 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.757 0.828 -4.368) 4.509 2.561 ( 11.111 4.857 -0.229) 12.129 3.205 ( 0.927 -1.385 -2.603) 3.091 3.874 ( 2.947 7.089 2.863) 8.194 3.934 ( -1.529 -4.719 3.153) 5.878 4.584 ( 4.739 -2.260 -1.689) 5.515 4.871 ( 0.598 -2.034 -1.908) 2.852 5.000 ( 0.280 8.341 2.043) 8.592 5.515 ( -1.488 2.878 -1.856) 3.734 5.643 ( 0.413 0.568 -0.256) 0.748 5.746 ( 3.880 -7.235 -2.507) 8.584 8.039 ( -10.898 -1.499 -0.933) 11.040 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.298 0.400 -2.140) 3.165 2.846 ( 17.432 2.957 0.182) 17.682 3.218 ( 2.452 -0.523 -0.901) 2.664 3.897 ( 0.274 -1.762 1.832) 2.557 4.000 ( 4.032 4.334 1.350) 6.072 4.623 ( 2.370 -2.177 -1.245) 3.451 4.847 ( -0.449 -1.774 -1.241) 2.211 5.094 ( 3.873 3.944 0.193) 5.531 5.501 ( -2.343 1.673 -1.152) 3.101 5.618 ( -0.756 -1.468 -1.260) 2.077 5.833 ( 9.952 -1.481 1.177) 10.131 7.767 ( -19.933 -0.431 -0.779) 19.953 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 3.344 0.000 -0.000) 3.344 3.141 ( 14.463 0.000 -0.000) 14.463 3.261 ( 2.812 0.000 -0.000) 2.812 3.934 ( 5.118 0.000 -0.000) 5.118 4.082 ( 2.552 0.000 -0.000) 2.552 4.616 ( -0.690 -0.000 0.000) 0.690 4.824 ( -0.885 -0.000 0.000) 0.885 5.207 ( 7.104 0.000 -0.000) 7.104 5.459 ( -3.337 -0.000 0.000) 3.337 5.609 ( 0.882 0.000 -0.000) 0.882 6.025 ( 13.308 0.000 -0.000) 13.308 7.377 ( -26.115 -0.000 0.000) 26.115 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 -0.148 -2.690) 2.694 2.492 ( 0.000 2.021 -0.345) 2.050 3.171 ( 0.000 -1.625 -1.339) 2.106 3.917 ( -0.000 4.604 1.863) 4.967 3.921 ( -0.000 -2.710 1.912) 3.316 4.517 ( 0.000 -1.237 -1.296) 1.791 4.850 ( 0.000 -0.894 -0.879) 1.254 5.071 ( 0.000 4.621 1.256) 4.789 5.542 ( 0.000 1.194 -0.731) 1.400 5.646 ( 0.000 0.768 0.295) 0.822 5.649 ( 0.000 -4.007 -2.360) 4.650 8.115 ( 0.000 -0.950 -0.422) 1.040 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 1.217 0.000 -0.000) 1.217 2.604 ( 11.791 0.000 -0.000) 11.791 3.175 ( 1.701 0.000 -0.000) 1.701 3.900 ( -0.999 -0.000 0.000) 0.999 3.967 ( 2.689 0.000 -0.000) 2.689 4.548 ( 4.085 0.000 -0.000) 4.085 4.843 ( -0.206 -0.000 0.000) 0.206 5.091 ( -0.160 -0.000 0.000) 0.160 5.537 ( -1.208 -0.000 0.000) 1.208 5.620 ( -0.694 -0.000 0.000) 0.694 5.697 ( 5.567 0.000 -0.000) 5.567 8.020 ( -10.669 -0.000 0.000) 10.669 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( -0.000 0.000 21.703) 21.703 0.230 ( -0.000 0.000 21.703) 21.703 0.397 ( -0.000 0.000 37.709) 37.709 3.870 ( 0.000 -0.000 -6.045) 6.045 3.870 ( 0.000 -0.000 -6.045) 6.045 4.236 ( -0.000 0.000 4.345) 4.345 4.236 ( -0.000 0.000 4.345) 4.345 4.980 ( 0.000 -0.000 -3.315) 3.315 5.512 ( -0.000 0.000 0.700) 0.700 5.512 ( -0.000 0.000 0.700) 0.700 7.098 ( -0.000 0.000 0.480) 0.480 9.361 ( -0.000 0.000 0.288) 0.288 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 16.347 9.438 10.295) 21.501 0.544 ( 16.045 9.263 12.682) 22.451 0.970 ( 30.329 17.510 17.680) 39.231 3.857 ( 2.130 1.230 -7.740) 8.122 3.885 ( 0.717 0.414 -3.551) 3.646 4.225 ( 0.036 0.021 1.810) 1.810 4.524 ( 10.760 6.212 -1.376) 12.500 4.961 ( 0.488 0.282 -5.200) 5.230 5.339 ( -4.199 -2.424 12.002) 12.944 5.558 ( 1.835 1.059 3.234) 3.866 7.509 ( 12.548 7.244 -28.505) 31.976 8.673 ( -29.822 -17.218 30.267) 45.846 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 17.357 10.021 4.271) 20.492 0.961 ( 18.070 10.433 7.818) 22.282 1.704 ( 31.066 17.936 7.454) 36.638 3.878 ( -0.705 -0.407 -0.006) 0.814 3.909 ( 4.535 2.618 -5.777) 7.797 4.251 ( 2.218 1.280 -1.581) 3.010 4.695 ( 3.411 1.969 6.115) 7.274 5.010 ( 6.870 3.967 -6.095) 10.004 5.318 ( -2.400 -1.386 9.707) 10.095 5.604 ( 0.933 0.538 3.976) 4.120 7.508 ( -3.312 -1.912 -18.019) 18.420 8.195 ( -21.949 -12.673 10.355) 27.379 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 16.446 9.495 0.062) 18.991 1.388 ( 18.240 10.531 4.613) 21.560 2.371 ( 27.379 15.807 0.923) 31.627 3.859 ( -1.292 -0.746 2.813) 3.185 4.010 ( 5.561 3.211 -0.925) 6.488 4.308 ( 3.663 2.115 -3.989) 5.814 4.735 ( -0.294 -0.170 4.657) 4.669 5.203 ( 8.421 4.862 0.928) 9.768 5.283 ( -1.968 -1.136 6.331) 6.727 5.618 ( -0.841 -0.486 2.972) 3.126 7.280 ( -12.863 -7.426 -6.063) 16.043 7.748 ( -18.236 -10.529 -10.052) 23.333 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 14.228 8.215 -3.070) 16.713 1.789 ( 16.644 9.609 2.085) 19.331 2.899 ( 20.128 11.621 -3.229) 23.465 3.847 ( -0.828 -0.478 4.421) 4.523 4.149 ( 6.350 3.666 5.233) 9.008 4.379 ( 4.015 2.318 -4.858) 6.715 4.745 ( 0.146 0.084 3.345) 3.349 5.165 ( -6.127 -3.538 4.878) 8.594 5.453 ( 8.585 4.957 3.346) 10.463 5.586 ( -2.582 -1.491 1.194) 3.211 6.928 ( -17.733 -10.238 5.406) 21.178 7.330 ( -13.377 -7.723 -27.726) 31.739 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 10.805 6.238 -4.752) 13.351 2.127 ( 13.230 7.638 0.327) 15.280 3.229 ( 10.918 6.303 -3.600) 13.110 3.855 ( 0.072 0.042 4.936) 4.937 4.317 ( 5.636 3.254 8.577) 10.766 4.447 ( 3.520 2.032 -4.506) 6.068 4.764 ( 0.812 0.469 2.708) 2.865 5.050 ( -4.408 -2.545 1.759) 5.385 5.520 ( -3.361 -1.941 -0.079) 3.882 5.593 ( 2.231 1.288 3.192) 4.102 6.587 ( -14.037 -8.104 8.177) 18.154 6.977 ( -8.743 -5.048 -30.348) 31.984 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 6.807 3.930 -4.597) 9.106 2.369 ( 8.504 4.910 -0.465) 9.831 3.383 ( 4.521 2.610 -2.244) 5.683 3.878 ( 0.287 0.166 4.184) 4.197 4.387 ( -2.178 -1.258 6.029) 6.533 4.501 ( 2.603 1.503 -3.289) 4.456 4.830 ( 4.497 2.596 1.749) 5.479 5.001 ( -0.653 -0.377 0.686) 1.019 5.450 ( -2.649 -1.529 0.035) 3.059 5.568 ( -3.990 -2.304 0.532) 4.638 6.375 ( -6.699 -3.868 -4.121) 8.765 6.774 ( -2.264 -1.307 -9.551) 9.902 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 3.108 1.795 -2.954) 4.648 2.497 ( 3.140 1.813 -0.422) 3.651 3.434 ( 1.155 0.667 -2.717) 3.027 3.886 ( -0.801 -0.462 2.095) 2.290 4.317 ( -3.682 -2.126 0.190) 4.256 4.539 ( 1.596 0.921 -1.492) 2.371 4.918 ( 2.029 1.172 0.316) 2.364 5.004 ( 0.069 0.040 1.069) 1.072 5.413 ( -0.726 -0.419 1.366) 1.603 5.493 ( -1.775 -1.025 0.327) 2.075 6.229 ( -2.936 -1.695 -16.820) 17.159 6.815 ( 4.127 2.382 15.465) 16.182 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.428 -0.247 -0.730) 0.882 2.504 ( -2.520 -1.455 0.193) 2.917 3.427 ( -0.513 -0.296 -3.214) 3.269 3.853 ( -2.238 -1.292 -0.854) 2.722 4.257 ( -0.833 -0.481 -5.393) 5.478 4.561 ( 0.462 0.267 0.484) 0.720 4.914 ( -2.674 -1.544 0.067) 3.088 4.993 ( -0.999 -0.577 -0.009) 1.154 5.428 ( 1.264 0.730 2.646) 3.022 5.503 ( 2.169 1.252 1.156) 2.758 6.149 ( 1.135 0.655 -15.630) 15.685 7.025 ( 7.649 4.416 26.064) 27.520 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -5.178 -2.989 0.999) 6.062 2.384 ( -8.491 -4.902 0.920) 9.847 3.397 ( -1.823 -1.052 -0.812) 2.256 3.791 ( -2.298 -1.327 -3.699) 4.553 4.227 ( -0.336 -0.194 -8.795) 8.804 4.561 ( -0.950 -0.548 2.133) 2.399 4.796 ( -6.721 -3.881 -1.028) 7.829 4.984 ( 0.514 0.297 -1.047) 1.204 5.478 ( 2.155 1.244 2.534) 3.551 5.563 ( 1.803 1.041 -0.027) 2.082 6.193 ( 7.683 4.436 -10.282) 13.580 7.311 ( 9.079 5.242 29.026) 30.861 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -10.790 -6.229 1.248) 12.521 2.134 ( -14.274 -8.241 0.997) 16.512 3.301 ( -8.795 -5.078 2.918) 10.567 3.740 ( -0.669 -0.386 -5.556) 5.610 4.157 ( -3.157 -1.823 -6.480) 7.435 4.533 ( -2.419 -1.396 3.272) 4.302 4.669 ( -3.129 -1.806 -5.304) 6.418 5.010 ( 2.328 1.344 -1.918) 3.303 5.528 ( 1.692 0.977 0.711) 2.079 5.542 ( -3.489 -2.015 -1.677) 4.364 6.430 ( 15.836 9.143 -6.070) 19.267 7.611 ( 8.781 5.070 27.247) 29.072 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -15.333 -8.852 0.545) 17.713 1.770 ( -18.527 -10.696 0.323) 21.395 2.970 ( -22.055 -12.734 3.340) 25.685 3.727 ( 1.320 0.762 -6.372) 6.552 4.091 ( -1.400 -0.808 -0.233) 1.633 4.478 ( -3.549 -2.049 4.051) 5.762 4.610 ( -0.510 -0.295 -8.211) 8.233 5.067 ( 3.344 1.930 -3.880) 5.474 5.414 ( -7.141 -4.123 -1.004) 8.307 5.551 ( 0.514 0.297 -1.978) 2.065 6.819 ( 20.141 11.628 -4.789) 23.745 7.878 ( 7.322 4.227 22.499) 24.035 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -18.189 -10.502 0.008) 21.003 1.333 ( -20.482 -11.825 -0.268) 23.652 2.384 ( -30.864 -17.819 2.634) 35.736 3.749 ( 2.639 1.524 -6.698) 7.359 4.065 ( -2.174 -1.255 3.510) 4.315 4.408 ( -4.052 -2.340 4.677) 6.616 4.583 ( 0.544 0.314 -8.103) 8.127 5.115 ( 2.100 1.212 -6.251) 6.704 5.243 ( -7.554 -4.361 1.461) 8.844 5.540 ( -0.462 -0.267 -4.097) 4.132 7.257 ( 20.168 11.644 -4.411) 23.702 8.086 ( 5.238 3.024 16.841) 17.894 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -20.473 -11.820 0.470) 23.645 0.893 ( -19.568 -11.298 0.734) 22.607 1.656 ( -35.203 -20.324 4.019) 40.847 3.791 ( 3.145 1.816 -6.885) 7.784 4.010 ( -3.580 -2.067 2.908) 5.054 4.336 ( -3.878 -2.239 5.172) 6.841 4.562 ( -0.650 -0.375 -6.382) 6.426 5.062 ( -3.802 -2.195 -5.885) 7.342 5.173 ( 0.108 0.063 3.651) 3.654 5.511 ( -0.559 -0.323 -4.365) 4.413 7.643 ( 15.386 8.883 -8.023) 19.494 8.235 ( 3.755 2.168 15.745) 16.331 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -0.000 16.528 12.827) 20.922 0.580 ( -0.000 16.531 14.773) 22.170 1.058 ( -0.000 33.481 19.884) 38.941 3.754 ( 0.000 -3.558 -8.456) 9.174 3.914 ( 0.000 5.419 -4.638) 7.133 4.333 ( -0.000 3.540 5.334) 6.402 4.406 ( 0.000 7.597 -4.554) 8.857 4.942 ( 0.000 -0.026 -5.587) 5.587 5.377 ( -0.000 -8.336 13.795) 16.119 5.475 ( 0.000 -1.649 -1.270) 2.081 7.456 ( 0.000 15.630 -20.303) 25.622 8.827 ( -0.000 -29.020 23.979) 37.645 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 9.184 16.297 8.482) 20.540 0.884 ( 10.645 16.348 10.492) 22.151 1.576 ( 15.310 30.846 11.229) 36.221 3.749 ( 6.072 -3.486 -7.478) 10.245 3.944 ( -1.254 5.518 -2.355) 6.129 4.292 ( -3.765 4.150 0.275) 5.610 4.615 ( 10.587 2.051 3.482) 11.332 4.941 ( 2.471 2.691 -7.254) 8.122 5.347 ( -0.756 -4.440 10.441) 11.371 5.523 ( 6.241 -3.332 -0.143) 7.076 7.475 ( -1.633 1.208 -15.286) 15.420 8.480 ( -19.408 -16.319 14.523) 29.222 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 11.433 13.790 3.519) 18.256 1.279 ( 13.472 16.600 6.994) 22.494 2.168 ( 19.781 24.409 3.193) 31.580 3.819 ( 7.024 -1.864 -3.991) 8.290 3.968 ( -0.220 3.408 1.761) 3.842 4.300 ( 0.095 4.230 -2.808) 5.078 4.736 ( 2.180 -0.846 4.185) 4.794 5.082 ( 10.805 6.160 -2.864) 12.763 5.316 ( -1.836 -4.779 7.837) 9.361 5.582 ( 4.083 -3.029 -0.431) 5.102 7.321 ( -6.772 -8.415 -9.905) 14.655 8.019 ( -24.333 -9.033 1.332) 25.990 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 11.874 11.165 -1.054) 16.333 1.681 ( 13.078 16.435 4.270) 21.433 2.692 ( 18.666 16.648 -2.152) 25.104 3.877 ( 0.546 1.424 0.615) 1.645 4.053 ( 7.295 0.199 4.589) 8.621 4.349 ( 2.082 4.429 -3.548) 6.045 4.761 ( 0.379 1.039 1.922) 2.217 5.215 ( -3.071 -5.688 5.965) 8.795 5.357 ( 10.258 5.510 1.730) 11.772 5.589 ( 0.546 -3.008 -1.144) 3.264 7.047 ( -9.919 -13.602 -2.355) 16.999 7.521 ( -24.850 -4.142 -13.528) 28.595 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 10.679 8.305 -4.120) 14.142 2.044 ( 10.606 15.249 2.061) 18.688 3.075 ( 13.837 8.759 -3.680) 16.785 3.891 ( -1.018 1.995 3.079) 3.808 4.207 ( 8.669 -2.087 4.662) 10.062 4.437 ( 3.525 6.728 -0.932) 7.653 4.790 ( 0.046 2.967 1.340) 3.256 5.096 ( -5.107 -5.460 2.433) 7.862 5.530 ( -1.044 -2.065 1.598) 2.812 5.576 ( 5.744 2.723 0.096) 6.357 6.751 ( -10.963 -12.590 8.212) 18.605 7.045 ( -19.318 -1.714 -26.836) 33.111 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 8.236 5.393 -5.159) 11.114 2.329 ( 6.610 12.895 0.612) 14.503 3.299 ( 7.769 3.363 -2.750) 8.901 3.910 ( -0.628 2.267 3.825) 4.491 4.291 ( 4.907 -6.688 1.911) 8.512 4.578 ( 1.769 9.724 1.430) 9.987 4.824 ( -0.004 3.787 1.265) 3.993 4.996 ( -1.327 -3.378 0.099) 3.631 5.466 ( -2.089 -2.438 -0.228) 3.219 5.645 ( -2.018 1.980 0.506) 2.872 6.479 ( -13.922 -4.579 -4.247) 15.259 6.751 ( -2.584 -3.625 -9.502) 10.493 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 5.252 2.838 -4.379) 7.404 2.510 ( 1.847 9.780 0.046) 9.953 3.394 ( 3.074 0.617 -2.842) 4.232 3.931 ( -1.678 2.676 2.937) 4.313 4.266 ( 1.081 -8.575 0.417) 8.653 4.642 ( -4.519 10.151 -1.658) 11.235 4.888 ( 2.987 1.697 0.751) 3.517 4.987 ( 1.743 -1.319 0.871) 2.353 5.436 ( -0.542 0.872 1.122) 1.521 5.579 ( -6.709 2.173 0.378) 7.062 6.217 ( -7.242 -2.044 -19.732) 21.118 6.786 ( 6.321 -1.739 15.417) 16.754 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 2.204 0.728 -2.602) 3.486 2.577 ( -3.279 6.536 0.254) 7.316 3.408 ( 0.493 -0.617 -3.777) 3.859 3.912 ( -4.158 1.894 0.525) 4.599 4.197 ( 0.777 -6.492 -2.909) 7.156 4.651 ( -4.356 8.996 -2.012) 10.196 4.923 ( 0.212 -0.590 -0.261) 0.679 5.003 ( 0.032 -0.560 1.515) 1.615 5.459 ( -1.271 3.202 3.062) 4.609 5.523 ( -1.743 3.269 0.661) 3.763 6.076 ( -0.199 -1.001 -17.552) 17.581 6.989 ( 9.967 0.157 24.077) 26.059 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -1.713 -1.550 -0.726) 2.421 2.525 ( -8.989 3.203 0.965) 9.592 3.387 ( -0.111 -1.615 -2.852) 3.279 3.841 ( -4.803 0.567 -2.234) 5.327 4.160 ( 1.901 -3.086 -6.221) 7.200 4.651 ( -4.596 6.701 -0.704) 8.156 4.870 ( -4.973 -2.871 0.315) 5.751 4.990 ( -1.252 1.083 0.183) 1.665 5.468 ( -0.172 0.784 3.050) 3.154 5.580 ( 1.070 5.157 0.210) 5.271 6.072 ( 5.853 1.803 -11.687) 13.195 7.267 ( 11.713 0.944 26.453) 28.946 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -7.459 -4.206 0.170) 8.565 2.342 ( -15.154 -0.595 1.411) 15.231 3.344 ( -2.100 -4.440 -0.018) 4.911 3.774 ( -3.126 2.192 -3.578) 5.233 4.133 ( -0.099 -2.292 -6.889) 7.262 4.604 ( -5.987 1.173 1.633) 6.316 4.743 ( -6.428 0.240 -2.381) 6.859 4.996 ( 0.040 2.263 -0.421) 2.302 5.489 ( 1.299 -0.862 1.179) 1.955 5.605 ( -2.298 2.029 -1.223) 3.300 6.241 ( 13.241 6.744 -6.555) 16.241 7.562 ( 11.707 0.774 24.530) 27.192 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -13.347 -6.074 0.002) 14.664 2.027 ( -20.281 -3.951 1.182) 20.696 3.176 ( -12.543 -8.651 1.653) 15.326 3.750 ( -2.687 4.789 -4.036) 6.815 4.068 ( -0.817 -3.899 -2.665) 4.793 4.527 ( -2.630 -0.918 1.427) 3.130 4.652 ( -5.731 2.571 -4.225) 7.570 5.029 ( 1.506 2.188 -1.278) 2.948 5.464 ( -3.400 -2.760 -1.684) 4.692 5.572 ( -1.733 1.408 -0.853) 2.390 6.571 ( 18.936 8.882 -4.622) 21.420 7.828 ( 10.405 -0.151 19.585) 22.178 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -17.760 -6.324 -0.169) 18.853 1.619 ( -23.189 -5.324 0.971) 23.812 2.756 ( -27.012 -10.192 1.955) 28.937 3.747 ( -1.297 5.404 -5.331) 7.701 4.031 ( 1.415 -5.913 2.318) 6.506 4.515 ( -1.500 2.440 3.938) 4.869 4.558 ( -4.579 0.168 -6.775) 8.178 5.071 ( 2.057 1.223 -2.161) 3.225 5.331 ( -7.352 -3.216 -0.963) 8.082 5.561 ( -1.492 2.072 -2.642) 3.674 6.984 ( 21.820 8.253 -3.763) 23.630 8.034 ( 8.555 -1.836 13.245) 15.874 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -20.598 -4.630 0.655) 21.123 1.183 ( -23.890 -3.878 2.063) 24.291 2.142 ( -35.864 -8.303 3.091) 36.942 3.775 ( 0.463 5.725 -6.008) 8.312 3.997 ( 0.218 -6.416 3.688) 7.403 4.433 ( -6.657 -1.000 -2.000) 7.022 4.559 ( 0.539 3.283 0.935) 3.456 5.089 ( -1.645 1.459 -5.029) 5.488 5.197 ( -3.601 -2.117 4.119) 5.866 5.540 ( -2.281 2.674 -3.099) 4.686 7.395 ( 20.029 5.733 -4.615) 21.339 8.172 ( 7.529 -4.538 8.618) 12.311 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 20.288 8.407) 21.961 1.000 ( -0.000 17.494 10.367) 20.335 1.821 ( 0.000 34.497 9.479) 35.776 3.634 ( 0.000 -2.896 -7.520) 8.059 4.009 ( 0.000 6.983 -3.131) 7.652 4.429 ( -0.000 3.174 3.280) 4.564 4.473 ( 0.000 1.373 -0.422) 1.436 4.922 ( 0.000 3.060 -7.102) 7.733 5.343 ( -0.000 -4.681 10.004) 11.045 5.444 ( 0.000 -0.241 -1.641) 1.658 7.438 ( 0.000 -5.654 -9.054) 10.674 8.532 ( -0.000 -15.416 9.557) 18.138 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 4.132 16.861 6.275) 18.459 1.291 ( 8.853 19.525 7.577) 22.738 2.226 ( 6.950 30.375 3.461) 31.351 3.649 ( 7.160 -1.877 -5.650) 9.312 4.045 ( -2.290 5.412 0.175) 5.879 4.357 ( -3.899 2.722 -1.021) 4.863 4.645 ( 9.426 -1.150 3.767) 10.216 4.976 ( 5.620 5.460 -6.267) 10.034 5.321 ( -1.346 -4.323 7.273) 8.567 5.480 ( 4.061 -0.104 -1.891) 4.481 7.283 ( -4.060 -14.023 -5.384) 15.560 8.293 ( -15.845 -8.741 2.157) 18.225 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.332 13.919 1.743) 15.390 1.676 ( 11.196 19.750 5.938) 23.467 2.623 ( 10.000 21.588 -2.256) 23.899 3.779 ( 10.194 0.633 -3.762) 10.884 4.045 ( -2.305 1.610 5.425) 6.111 4.359 ( 0.591 4.157 -2.155) 4.720 4.747 ( 3.359 0.019 2.034) 3.927 5.164 ( 10.262 1.730 1.073) 10.462 5.272 ( -0.583 -1.783 0.901) 2.081 5.529 ( 2.555 -0.700 -1.896) 3.258 7.017 ( -6.381 -18.608 -2.703) 19.857 7.889 ( -24.617 -2.793 -5.959) 25.481 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 7.247 10.655 -2.327) 13.094 2.062 ( 9.695 19.732 4.271) 22.396 2.947 ( 10.863 11.935 -3.895) 16.602 3.913 ( 3.613 2.726 -3.181) 5.532 4.072 ( 4.501 -2.665 6.681) 8.485 4.443 ( 3.520 7.144 0.603) 7.987 4.802 ( 1.987 1.678 1.098) 2.823 5.145 ( -4.943 -3.557 2.245) 6.491 5.428 ( 11.502 0.357 -5.385) 12.705 5.538 ( 0.012 0.454 1.751) 1.809 6.738 ( -4.577 -17.715 1.667) 18.373 7.399 ( -28.488 0.815 -13.400) 31.493 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 6.984 7.325 -4.505) 11.078 2.389 ( 5.709 18.557 2.615) 19.591 3.185 ( 9.111 5.297 -2.609) 10.857 3.952 ( 0.015 2.518 1.480) 2.921 4.148 ( 5.908 -5.109 1.307) 7.919 4.605 ( 5.107 8.656 2.442) 10.343 4.857 ( 1.952 1.924 1.801) 3.280 5.029 ( -6.105 -0.767 -1.800) 6.411 5.462 ( 0.281 -2.613 -4.074) 4.848 5.625 ( 4.681 1.434 -0.410) 4.912 6.579 ( 0.098 -11.915 10.780) 16.069 6.892 ( -25.993 2.182 -19.001) 32.271 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 5.646 4.429 -4.655) 8.554 2.617 ( 0.869 15.891 1.564) 15.992 3.329 ( 5.016 1.745 -2.029) 5.685 3.990 ( -0.083 3.536 2.994) 4.634 4.164 ( 2.379 -6.433 -0.297) 6.866 4.754 ( 2.874 6.470 -0.741) 7.118 4.910 ( -2.408 5.035 0.953) 5.662 4.939 ( 0.374 -1.968 -1.194) 2.332 5.448 ( 0.733 1.126 -0.771) 1.549 5.660 ( -0.224 0.477 -3.077) 3.122 6.381 ( -20.379 1.191 -11.997) 23.678 6.680 ( 7.078 -5.404 10.835) 14.025 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 3.563 2.164 -3.549) 5.475 2.734 ( -3.828 12.705 1.377) 13.340 3.379 ( 1.351 0.035 -2.596) 2.926 4.012 ( -3.695 3.580 0.766) 5.202 4.115 ( 0.635 -6.124 -0.891) 6.221 4.802 ( -3.406 7.273 -5.526) 9.749 4.896 ( 1.408 -0.821 -0.677) 1.765 4.994 ( 1.855 2.279 3.411) 4.503 5.500 ( 1.818 3.971 1.454) 4.603 5.628 ( -4.172 2.664 -0.323) 4.961 6.073 ( -10.135 0.714 -16.060) 19.004 6.864 ( 12.106 -3.961 20.427) 24.073 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.739 0.185 -2.053) 2.190 2.743 ( -8.826 9.655 1.863) 13.213 3.368 ( -0.584 -1.254 -2.800) 3.123 3.923 ( -5.896 -1.693 -2.468) 6.612 4.099 ( 0.944 -0.059 -2.332) 2.517 4.781 ( -3.811 5.251 -4.317) 7.793 4.896 ( -0.931 -1.888 0.044) 2.105 5.047 ( -1.017 5.030 2.795) 5.843 5.540 ( -4.115 2.101 4.040) 6.138 5.611 ( -0.037 4.834 -1.641) 5.105 5.967 ( 2.349 1.026 -12.012) 12.282 7.124 ( 14.067 -3.341 21.913) 26.253 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -3.743 -1.861 -0.984) 4.294 2.628 ( -15.166 5.707 2.200) 16.353 3.323 ( -1.093 -3.439 -1.801) 4.033 3.823 ( -2.692 -0.582 -2.600) 3.788 4.106 ( -0.162 1.603 -4.443) 4.726 4.735 ( -5.971 2.249 -1.363) 6.524 4.820 ( -4.529 -2.253 0.098) 5.059 5.079 ( -3.536 7.859 1.239) 8.707 5.495 ( -2.444 0.157 1.782) 3.029 5.632 ( -0.391 -0.048 -2.462) 2.493 6.081 ( 10.379 5.809 -6.295) 13.457 7.405 ( 14.648 -3.653 19.232) 24.450 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -9.655 -3.158 -0.743) 10.186 2.364 ( -20.919 1.071 1.847) 21.028 3.241 ( -4.203 -4.949 -0.930) 6.559 3.813 ( 0.253 2.765 -0.522) 2.825 4.073 ( -3.616 0.239 -4.370) 5.677 4.606 ( -7.930 -0.951 0.735) 8.021 4.748 ( -3.747 0.709 -1.267) 4.019 5.084 ( -4.085 5.903 0.846) 7.228 5.478 ( -0.707 0.251 -1.530) 1.704 5.594 ( -1.283 -2.035 -0.985) 2.599 6.344 ( 15.397 6.984 -4.202) 17.421 7.661 ( 13.782 -4.659 13.368) 19.757 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -14.963 -2.641 -0.736) 15.212 1.989 ( -24.000 -1.269 1.687) 24.092 3.043 ( -15.002 -4.379 -0.890) 15.654 3.846 ( -2.383 6.207 -0.319) 6.656 3.978 ( -2.693 -4.044 -0.351) 4.871 4.516 ( -1.879 -0.312 -2.342) 3.019 4.682 ( -5.528 1.761 1.477) 5.986 5.075 ( -1.367 1.854 1.226) 2.609 5.421 ( -5.853 0.145 -2.267) 6.278 5.578 ( 0.579 0.336 -1.438) 1.586 6.686 ( 19.871 5.328 -2.860) 20.770 7.856 ( 11.922 -6.394 5.678) 14.672 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -18.524 -0.146 -0.295) 18.527 1.581 ( -24.520 -0.077 2.597) 24.658 2.647 ( -28.204 -1.151 -0.288) 28.229 3.843 ( -3.482 6.236 -2.657) 7.620 3.942 ( 1.476 -4.069 4.075) 5.945 4.469 ( -2.582 -1.766 -7.452) 8.082 4.639 ( -3.130 3.148 7.372) 8.605 5.099 ( 1.598 1.571 2.467) 3.333 5.296 ( -8.074 0.668 -1.184) 8.187 5.583 ( -0.705 1.694 -1.898) 2.640 7.069 ( 21.954 2.397 -1.665) 22.147 7.970 ( 9.959 -9.034 -1.838) 13.571 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 15.793 6.228) 16.977 1.433 ( 0.000 21.589 5.740) 22.339 2.483 ( 0.000 29.861 0.855) 29.873 3.548 ( 0.000 -1.158 -5.047) 5.178 4.124 ( 0.000 6.112 -0.631) 6.145 4.464 ( -0.000 -2.378 2.955) 3.793 4.497 ( 0.000 2.519 0.711) 2.617 4.960 ( 0.000 4.639 -4.974) 6.802 5.327 ( -0.000 -2.054 4.275) 4.743 5.450 ( 0.000 1.797 -0.763) 1.952 7.135 ( -0.000 -20.649 -3.120) 20.883 8.353 ( -0.000 -6.710 -0.834) 6.762 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 1.845 14.063 2.807) 14.458 1.726 ( 7.868 20.667 4.950) 22.661 2.748 ( 1.038 23.155 -3.442) 23.433 3.606 ( 8.506 0.811 -3.506) 9.236 4.140 ( -3.982 2.602 3.822) 6.102 4.399 ( -1.878 3.048 0.458) 3.610 4.646 ( 8.809 -0.497 1.794) 9.003 5.030 ( 5.827 2.397 -2.228) 6.684 5.302 ( -2.507 -0.053 0.519) 2.561 5.492 ( 2.225 2.144 -0.557) 3.139 6.881 ( -2.901 -23.863 -2.612) 24.181 8.174 ( -14.065 -3.063 -4.687) 15.138 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.141 11.193 -1.127) 11.680 2.100 ( 10.922 20.019 4.450) 23.235 2.942 ( 3.043 14.222 -4.523) 15.231 3.777 ( 10.646 1.831 -4.714) 11.786 4.089 ( -3.873 -1.968 7.184) 8.396 4.469 ( 2.538 8.239 1.691) 8.785 4.761 ( 4.754 0.071 0.983) 4.855 5.143 ( 5.603 -4.105 1.070) 7.028 5.278 ( 0.853 3.852 -5.865) 7.068 5.545 ( 1.419 2.282 1.150) 2.923 6.600 ( -2.109 -22.295 -1.331) 22.434 7.817 ( -23.855 0.200 -8.393) 25.289 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 4.214 8.073 -3.733) 9.843 2.476 ( 8.705 19.828 3.725) 21.973 3.106 ( 5.818 7.485 -2.596) 9.829 3.925 ( 6.733 1.950 -5.774) 9.081 4.049 ( 0.207 -4.530 7.520) 8.781 4.619 ( 3.669 8.455 2.297) 9.499 4.828 ( 2.980 0.442 2.081) 3.662 5.116 ( -3.316 -0.381 -2.812) 4.364 5.350 ( 5.795 -0.432 -7.773) 9.705 5.596 ( 1.360 2.132 2.056) 3.259 6.423 ( 3.851 -16.380 4.242) 17.353 7.350 ( -29.194 2.541 -11.082) 31.330 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 4.610 5.381 -4.327) 8.302 2.770 ( 2.726 18.393 2.730) 18.793 3.254 ( 5.922 3.343 -0.991) 6.872 4.009 ( 2.654 2.565 0.905) 3.801 4.061 ( 3.647 -4.244 1.289) 5.742 4.726 ( 2.914 1.616 -0.987) 3.476 4.892 ( 2.282 0.602 2.540) 3.468 5.050 ( -4.655 5.002 -3.906) 7.871 5.404 ( 4.291 0.454 -4.902) 6.531 5.628 ( 1.143 0.354 -2.649) 2.907 6.453 ( 10.179 -9.666 12.730) 18.950 6.847 ( -29.047 3.847 -11.886) 31.620 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 3.891 3.321 -3.569) 6.237 2.937 ( -2.794 15.271 2.402) 15.709 3.345 ( 2.727 1.103 -0.999) 3.107 4.057 ( 0.524 -3.966 0.852) 4.090 4.083 ( 0.484 3.884 0.691) 3.974 4.773 ( 4.618 -1.144 -3.913) 6.160 4.889 ( -0.803 -2.143 -2.631) 3.487 5.067 ( -1.943 9.132 1.634) 9.478 5.478 ( 4.408 1.763 -1.660) 5.029 5.643 ( 1.756 1.247 -3.728) 4.306 6.366 ( -24.447 4.081 -7.847) 25.998 6.659 ( 13.134 -6.627 14.348) 20.549 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.072 1.656 -2.410) 3.584 2.996 ( -7.056 12.332 2.756) 14.473 3.361 ( -0.435 -0.611 -1.438) 1.622 3.971 ( -4.945 -4.188 -2.571) 6.971 4.120 ( -0.762 3.507 0.670) 3.651 4.822 ( 1.196 0.677 -5.748) 5.910 4.859 ( 1.984 -1.968 -0.626) 2.863 5.138 ( -0.856 8.474 2.678) 8.928 5.554 ( 3.499 0.126 -0.234) 3.509 5.687 ( 0.351 4.465 -1.704) 4.792 6.029 ( -14.994 3.030 -7.389) 16.989 6.896 ( 15.504 -6.360 15.992) 23.164 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -0.952 0.162 -1.551) 1.827 2.949 ( -12.972 8.906 3.070) 16.031 3.313 ( -2.141 -2.905 -1.791) 4.029 3.844 ( -3.635 -2.861 -1.930) 5.012 4.136 ( -1.106 3.486 -1.850) 4.099 4.798 ( -1.569 0.587 -3.159) 3.575 4.864 ( -1.641 -1.340 0.407) 2.158 5.214 ( -1.090 8.830 1.368) 9.002 5.587 ( 0.439 -1.003 2.169) 2.430 5.626 ( -8.887 0.428 -3.842) 9.691 5.976 ( 5.585 5.271 -4.226) 8.765 7.149 ( 16.314 -6.786 12.635) 21.722 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -5.493 -0.681 -1.350) 5.697 2.735 ( -20.016 2.458 2.030) 20.269 3.249 ( -1.907 -2.026 -1.047) 2.973 3.807 ( 0.802 0.263 0.604) 1.038 4.131 ( -2.350 2.754 -3.118) 4.778 4.745 ( -7.047 0.245 -0.656) 7.082 4.791 ( -3.032 -0.892 0.765) 3.252 5.247 ( -5.746 6.109 -0.425) 8.398 5.493 ( -2.600 -0.101 -1.604) 3.056 5.579 ( -0.592 -2.329 0.623) 2.482 6.168 ( 11.358 5.267 -2.698) 12.808 7.384 ( 16.022 -7.635 5.980) 18.729 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -10.641 0.035 -1.564) 10.756 2.381 ( -23.012 -0.968 1.515) 23.082 3.182 ( -5.732 0.372 -1.449) 5.924 3.855 ( 2.773 0.541 3.099) 4.194 4.076 ( -6.176 2.343 -2.267) 6.984 4.593 ( -8.410 -0.420 -0.402) 8.430 4.761 ( -2.163 1.001 1.498) 2.815 5.151 ( -5.920 -1.303 0.214) 6.065 5.512 ( -1.985 5.268 -1.733) 5.891 5.539 ( 0.728 -2.889 0.404) 3.006 6.422 ( 15.417 2.702 -1.309) 15.706 7.566 ( 14.407 -8.866 -2.681) 17.127 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -14.810 2.376 -1.751) 15.101 1.992 ( -23.351 0.140 1.975) 23.435 3.020 ( -15.759 3.395 -2.735) 16.350 3.891 ( 0.370 -4.104 3.763) 5.580 3.996 ( -5.673 6.911 1.167) 9.017 4.485 ( -3.878 -0.307 -3.661) 5.342 4.735 ( -3.334 0.976 4.593) 5.758 5.088 ( 0.603 -1.715 2.352) 2.972 5.446 ( -7.236 2.656 0.670) 7.737 5.575 ( 1.786 0.841 -1.959) 2.781 6.724 ( 19.695 -0.657 0.725) 19.719 7.667 ( 11.948 -10.536 -11.644) 19.732 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 12.323 1.230) 12.384 1.866 ( 0.000 19.672 3.173) 19.926 2.942 ( 0.000 19.225 -6.138) 20.181 3.532 ( 0.000 2.127 -1.420) 2.557 4.223 ( -0.000 1.741 4.768) 5.076 4.470 ( -0.000 1.943 4.654) 5.043 4.537 ( 0.000 1.856 -1.202) 2.211 4.997 ( 0.000 0.329 -0.153) 0.363 5.335 ( 0.000 2.634 -2.568) 3.678 5.497 ( 0.000 3.132 0.016) 3.132 6.650 ( -0.000 -25.988 -3.700) 26.250 8.246 ( 0.000 -2.502 -5.693) 6.218 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.700 9.722 -1.720) 9.898 2.125 ( 8.309 17.494 2.345) 19.508 3.054 ( -1.484 12.561 -6.016) 14.007 3.630 ( 7.516 3.569 -1.280) 8.418 4.173 ( -5.757 -3.773 7.275) 10.015 4.533 ( 1.191 10.117 2.897) 10.591 4.645 ( 8.245 -0.448 -0.116) 8.258 5.016 ( 3.326 -3.261 0.815) 4.729 5.337 ( -2.263 5.059 -4.518) 7.150 5.545 ( 1.736 3.173 0.411) 3.640 6.385 ( -0.384 -23.929 -4.121) 24.285 8.097 ( -12.830 -0.884 -7.304) 14.790 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 1.764 6.968 -3.825) 8.142 2.477 ( 12.909 16.037 2.209) 20.705 3.125 ( 0.584 7.955 -3.069) 8.547 3.792 ( 8.153 3.279 -2.694) 9.191 4.068 ( -3.777 -5.388 7.424) 9.921 4.663 ( 1.287 6.755 2.073) 7.182 4.779 ( 6.279 3.660 1.203) 7.367 5.036 ( 4.640 -6.042 -2.476) 8.011 5.337 ( -1.921 6.018 -5.002) 8.058 5.605 ( 1.286 2.490 1.062) 2.997 6.192 ( 4.017 -18.117 -1.038) 18.586 7.771 ( -22.482 1.094 -8.573) 24.086 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 3.154 4.887 -4.062) 7.094 2.841 ( 10.655 15.264 1.817) 18.704 3.209 ( 3.158 4.288 -0.505) 5.349 3.937 ( 6.563 3.437 -3.167) 8.057 4.014 ( 0.144 -4.351 7.227) 8.437 4.701 ( 0.352 -0.568 -1.052) 1.246 4.890 ( 0.485 1.796 2.553) 3.159 5.067 ( 5.369 0.970 -5.078) 7.453 5.356 ( 0.120 4.639 -4.334) 6.350 5.623 ( -0.513 0.421 -1.448) 1.593 6.197 ( 11.767 -10.780 6.411) 17.198 7.334 ( -28.089 2.910 -8.685) 29.545 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 3.739 3.437 -3.073) 5.937 3.095 ( 2.502 13.010 1.371) 13.319 3.301 ( 3.934 1.706 0.489) 4.315 4.030 ( 1.244 -0.415 3.924) 4.138 4.060 ( 5.592 2.241 -0.419) 6.038 4.684 ( 1.468 -2.928 -3.192) 4.573 4.867 ( -0.764 -2.983 -1.527) 3.437 5.170 ( 1.391 7.988 -0.901) 8.158 5.403 ( 3.385 1.522 -3.167) 4.879 5.619 ( 0.979 0.983 -2.430) 2.798 6.375 ( 15.186 -7.363 10.349) 19.797 6.858 ( -29.052 3.943 -7.158) 30.179 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 2.956 2.219 -1.906) 4.159 3.200 ( -2.844 9.613 1.869) 10.197 3.353 ( 0.888 -0.116 -0.074) 0.898 4.019 ( -4.192 -0.200 0.484) 4.224 4.147 ( 2.064 1.589 0.607) 2.675 4.713 ( 6.511 -1.246 -3.793) 7.637 4.829 ( 0.012 -1.952 -1.584) 2.514 5.246 ( -1.332 8.027 0.998) 8.197 5.466 ( 4.951 -1.411 -2.236) 5.613 5.671 ( 3.602 3.034 -1.774) 5.033 6.409 ( -25.677 3.990 -3.355) 26.201 6.610 ( 15.783 -7.204 9.038) 19.562 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.968 1.114 -1.217) 1.913 3.210 ( -7.017 6.884 2.370) 10.112 3.321 ( -2.480 -2.798 -1.034) 3.879 3.905 ( -6.864 -1.049 0.012) 6.944 4.173 ( -0.352 1.703 -0.607) 1.842 4.795 ( 2.055 0.628 -3.806) 4.371 4.834 ( 3.158 -0.264 0.690) 3.243 5.294 ( -0.762 4.975 0.961) 5.124 5.516 ( 3.727 -1.968 -2.175) 4.743 5.753 ( 0.897 3.150 -2.026) 3.852 6.071 ( -15.640 3.242 0.838) 15.994 6.836 ( 16.437 -7.600 5.523) 18.933 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -2.022 0.563 -1.246) 2.441 3.047 ( -15.364 -2.611 0.436) 15.591 3.274 ( -1.950 1.675 0.428) 2.606 3.829 ( -2.576 1.557 2.180) 3.717 4.169 ( -1.044 0.819 -1.678) 2.140 4.797 ( -0.906 1.470 -1.348) 2.191 4.856 ( -2.281 0.066 0.995) 2.490 5.306 ( -0.460 -1.792 -2.525) 3.131 5.525 ( -0.784 -0.165 -4.114) 4.191 5.666 ( -9.064 2.097 3.616) 9.981 6.057 ( 5.640 3.175 2.206) 6.838 7.042 ( 16.391 -8.088 -1.457) 18.335 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -5.901 1.235 -1.900) 6.321 2.715 ( -19.115 -4.835 0.244) 19.719 3.265 ( -2.864 3.461 0.356) 4.506 3.846 ( 0.394 1.784 4.085) 4.475 4.147 ( -1.537 0.693 -1.518) 2.269 4.749 ( -8.642 0.593 -0.298) 8.667 4.805 ( -1.713 1.340 2.050) 2.989 5.197 ( -4.506 -7.403 -4.361) 9.702 5.492 ( -0.123 -0.365 -1.168) 1.230 5.625 ( -3.399 4.526 3.331) 6.567 6.223 ( 10.375 0.504 2.939) 10.795 7.207 ( 15.309 -8.546 -10.394) 20.382 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -9.984 3.165 -2.822) 10.847 2.351 ( -20.009 -2.376 0.728) 20.163 3.231 ( -6.510 5.121 -1.595) 8.435 3.871 ( -0.071 -1.645 4.494) 4.786 4.134 ( -2.469 4.239 1.400) 5.102 4.588 ( -9.323 0.197 -0.591) 9.344 4.801 ( -2.166 0.737 3.157) 3.899 5.061 ( -1.280 -5.509 -1.251) 5.792 5.496 ( 1.692 -1.803 0.089) 2.474 5.617 ( -3.978 4.017 0.979) 5.738 6.430 ( 14.270 -2.526 4.586) 15.200 7.306 ( 12.977 -9.196 -19.537) 25.193 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.000 7.228 -3.494) 8.028 2.206 ( 0.000 13.880 0.573) 13.892 3.143 ( 0.000 7.565 -6.935) 10.263 3.619 ( 0.000 6.607 2.366) 7.018 4.208 ( -0.000 -8.240 9.368) 12.476 4.550 ( 0.000 0.718 -2.336) 2.444 4.643 ( 0.000 11.721 3.670) 12.282 4.967 ( -0.000 -3.391 1.407) 3.671 5.394 ( 0.000 5.819 -4.827) 7.561 5.560 ( 0.000 3.237 -0.008) 3.237 6.147 ( -0.000 -21.585 -5.738) 22.334 8.168 ( 0.000 -0.921 -7.604) 7.660 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.493 4.778 -4.488) 6.574 2.409 ( 9.903 11.003 0.089) 14.804 3.173 ( -0.052 4.282 -4.207) 6.003 3.737 ( 4.124 7.242 2.310) 8.648 4.101 ( -4.429 -8.710 8.221) 12.770 4.619 ( 6.687 -1.808 -1.138) 7.020 4.783 ( 2.195 11.995 1.537) 12.291 4.942 ( 0.324 -3.718 0.847) 3.827 5.417 ( -1.887 5.952 -4.077) 7.457 5.607 ( 1.635 2.714 0.005) 3.169 5.958 ( 2.431 -16.299 -4.594) 17.108 8.035 ( -11.776 0.115 -8.048) 14.264 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 1.926 3.396 -3.699) 5.378 2.728 ( 15.797 9.286 0.023) 18.324 3.206 ( 1.532 2.270 -1.360) 3.058 3.887 ( 4.594 6.623 0.987) 8.120 4.000 ( -1.532 -6.262 6.992) 9.511 4.671 ( 2.264 -2.693 -0.670) 3.581 4.902 ( 0.067 -4.568 -1.666) 4.863 4.960 ( 5.805 9.226 0.296) 10.905 5.423 ( -2.336 5.443 -3.023) 6.650 5.631 ( -0.622 0.011 -1.650) 1.764 5.929 ( 9.948 -8.886 1.116) 13.386 7.740 ( -20.919 1.649 -7.827) 22.397 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 3.266 2.711 -2.031) 4.705 3.065 ( 13.345 7.540 -0.711) 15.345 3.259 ( 3.011 1.014 0.801) 3.277 3.971 ( 3.805 -2.261 2.161) 4.926 4.033 ( 2.898 4.145 3.379) 6.083 4.647 ( -0.810 -2.932 -1.541) 3.410 4.849 ( -0.999 -2.901 -1.337) 3.347 5.144 ( 7.274 5.735 -1.031) 9.320 5.421 ( -2.336 3.638 -1.729) 4.656 5.609 ( -0.008 -0.143 -1.610) 1.616 6.085 ( 14.475 -5.613 4.318) 16.115 7.338 ( -26.520 2.898 -6.403) 27.435 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 3.440 1.951 -0.618) 4.003 3.263 ( 3.937 4.516 -0.885) 6.057 3.323 ( 2.983 -0.319 1.272) 3.259 4.063 ( 7.380 -1.433 -0.513) 7.536 4.090 ( -1.262 2.197 2.614) 3.640 4.619 ( 1.732 -0.669 -1.053) 2.134 4.813 ( -0.519 -0.894 -0.622) 1.206 5.298 ( 5.444 4.972 -0.660) 7.402 5.401 ( -1.573 -0.046 -0.594) 1.682 5.634 ( 2.688 1.364 -0.194) 3.021 6.300 ( 15.735 -5.573 3.180) 16.993 6.890 ( -28.114 3.115 -3.567) 28.510 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 2.346 1.035 0.002) 2.565 3.309 ( -1.420 -1.536 0.368) 2.124 3.331 ( -0.412 0.363 -0.388) 0.672 4.020 ( -5.543 -0.944 -0.131) 5.624 4.161 ( 2.754 0.069 0.249) 2.766 4.704 ( 6.715 2.243 -0.625) 7.108 4.815 ( 0.625 1.061 0.588) 1.365 5.350 ( -2.782 -1.037 0.730) 3.058 5.429 ( 5.331 1.870 -1.180) 5.772 5.712 ( 4.381 1.394 0.436) 4.618 6.456 ( -21.716 0.653 -0.016) 21.726 6.516 ( 12.017 -4.192 -0.033) 12.728 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 0.442 0.550 -0.193) 0.731 3.172 ( -7.724 -8.719 -1.081) 11.699 3.339 ( -1.402 2.726 0.652) 3.134 3.936 ( -5.220 2.802 2.601) 6.470 4.168 ( -0.062 -1.821 -0.984) 2.071 4.810 ( 2.030 2.919 -1.392) 3.818 4.859 ( 2.208 1.716 1.910) 3.387 5.272 ( -1.995 -6.719 -1.252) 7.120 5.514 ( 2.231 2.748 -1.572) 3.872 5.767 ( 0.074 -0.857 -0.815) 1.185 6.154 ( -13.102 1.988 8.229) 15.599 6.697 ( 14.829 -5.431 -7.413) 17.446 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -2.024 1.086 -1.102) 2.548 2.906 ( -12.419 -9.399 -0.792) 15.595 3.344 ( -1.794 3.319 1.016) 3.907 3.916 ( -3.368 3.967 4.649) 6.978 4.141 ( 0.513 -2.203 -1.196) 2.558 4.839 ( -1.259 3.194 -0.420) 3.459 4.878 ( -3.236 0.723 2.634) 4.234 5.145 ( -2.259 -9.561 -4.868) 10.964 5.517 ( -2.819 0.049 -2.313) 3.647 5.710 ( -2.546 -1.038 1.509) 3.136 6.138 ( 2.244 1.123 11.377) 11.650 6.847 ( 13.951 -5.064 -15.411) 21.396 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.118 2.606 -2.587) 6.299 2.601 ( -14.552 -5.908 -0.207) 15.707 3.347 ( -2.648 4.128 0.277) 4.912 3.903 ( -2.820 -0.089 4.585) 5.384 4.163 ( 2.501 2.167 1.023) 3.463 4.756 ( -9.827 -0.930 0.466) 9.882 4.850 ( -1.844 0.680 2.769) 3.396 5.017 ( -1.130 -5.681 -4.137) 7.118 5.463 ( -0.695 -1.441 -0.995) 1.883 5.680 ( -0.973 -2.136 1.179) 2.627 6.260 ( 6.800 -0.920 11.166) 13.106 6.949 ( 12.007 -5.045 -22.910) 26.353 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 2.806 -4.376) 5.198 2.404 ( 0.000 7.185 -0.657) 7.215 3.182 ( 0.000 0.960 -3.102) 3.247 3.795 ( -0.000 8.307 3.860) 9.161 4.076 ( -0.000 -10.783 8.756) 13.890 4.532 ( 0.000 -0.700 -2.663) 2.754 4.852 ( 0.000 3.426 -1.019) 3.574 4.953 ( -0.000 4.680 3.525) 5.859 5.475 ( 0.000 5.107 -2.953) 5.899 5.613 ( 0.000 2.385 -0.694) 2.484 5.783 ( 0.000 -11.820 -5.125) 12.883 8.106 ( 0.000 0.296 -8.039) 8.045 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.014 2.074 -2.547) 3.438 2.556 ( 11.280 4.943 -0.634) 12.332 3.185 ( 1.271 -0.319 -1.034) 1.669 3.902 ( 2.416 6.323 2.638) 7.265 3.988 ( -1.883 -7.424 6.671) 10.157 4.567 ( 5.204 -2.020 -1.513) 5.784 4.855 ( 0.241 -1.200 -1.082) 1.634 5.020 ( -0.355 6.874 1.721) 7.095 5.496 ( -1.597 4.090 -1.713) 4.713 5.632 ( -0.402 -0.186 -1.787) 1.841 5.725 ( 5.961 -5.062 -1.825) 8.030 7.993 ( -10.916 1.356 -7.711) 13.433 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.396 1.991 -0.213) 3.122 2.841 ( 17.348 3.119 -1.089) 17.660 3.217 ( 2.799 -0.054 0.768) 2.903 3.921 ( -0.063 -3.534 2.653) 4.419 4.020 ( 3.853 2.273 2.392) 5.073 4.615 ( 2.353 -1.466 -0.042) 2.773 4.839 ( -0.537 -0.746 -0.275) 0.960 5.094 ( 3.374 3.726 -0.218) 5.031 5.492 ( -2.378 2.774 -0.453) 3.682 5.606 ( -0.554 -0.312 -0.957) 1.149 5.839 ( 10.869 -2.367 0.050) 11.124 7.729 ( -19.721 2.474 -6.517) 20.916 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 3.152 1.408 1.356) 3.709 3.129 ( 14.233 0.482 -2.178) 14.407 3.272 ( 2.923 -0.506 1.803) 3.471 3.932 ( 4.353 -2.294 -0.328) 4.931 4.088 ( 2.898 -1.385 1.022) 3.371 4.627 ( -0.570 1.664 2.005) 2.667 4.826 ( -1.015 0.933 0.541) 1.481 5.204 ( 7.055 0.764 -0.459) 7.111 5.464 ( -3.293 1.032 1.054) 3.608 5.614 ( 1.075 1.087 0.889) 1.768 6.017 ( 13.343 -2.621 -1.336) 13.664 7.355 ( -25.499 2.782 -4.126) 25.980 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 2.967 0.340 1.836) 3.506 3.273 ( 3.793 -5.666 -0.474) 6.835 3.297 ( 2.674 0.016 -0.545) 2.729 3.983 ( 4.513 -3.626 -4.449) 7.301 4.122 ( 2.706 -0.885 2.311) 3.667 4.669 ( 1.758 3.774 3.464) 5.416 4.832 ( -0.370 2.410 0.884) 2.593 5.307 ( 4.340 -3.369 0.251) 5.500 5.428 ( -1.345 1.794 1.851) 2.907 5.664 ( 2.901 0.676 2.612) 3.962 6.210 ( 13.767 -2.431 -5.294) 14.949 6.927 ( -27.197 2.153 -0.090) 27.282 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.082 -0.340 1.478) 2.576 3.169 ( -3.915 -10.949 -0.825) 11.657 3.349 ( 2.048 0.493 -0.370) 2.139 3.993 ( 1.527 -0.308 -2.283) 2.764 4.145 ( -0.001 -2.051 0.745) 2.182 4.774 ( 4.662 3.346 2.107) 6.113 4.867 ( 0.791 3.038 1.246) 3.378 5.244 ( -3.216 -8.076 0.963) 8.746 5.491 ( 3.288 2.381 0.558) 4.098 5.724 ( 2.700 -1.311 2.914) 4.183 6.361 ( 6.775 -2.746 -9.999) 12.386 6.550 ( -17.069 2.781 5.635) 18.189 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.721 0.048 0.546) 0.906 2.959 ( -7.029 -12.107 -0.632) 14.014 3.379 ( 0.653 1.452 0.276) 1.616 4.024 ( -0.683 4.380 1.613) 4.717 4.093 ( -0.873 -4.860 -1.141) 5.068 4.867 ( 1.985 2.662 0.175) 3.325 4.917 ( 0.797 2.489 2.104) 3.355 5.087 ( -4.375 -10.600 -1.319) 11.543 5.537 ( 0.396 -0.356 -0.644) 0.836 5.710 ( -2.071 -4.551 0.373) 5.014 6.247 ( -7.244 0.411 8.688) 11.319 6.579 ( 8.473 1.842 -10.068) 13.288 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -1.275 1.313 -1.017) 2.094 2.721 ( -8.700 -8.951 -0.198) 12.484 3.403 ( -0.225 2.382 0.365) 2.420 3.977 ( -4.759 -2.314 2.379) 5.801 4.125 ( 4.333 2.946 0.177) 5.243 4.862 ( -7.348 -8.293 1.792) 11.224 4.897 ( -1.110 1.955 0.637) 2.336 4.972 ( 0.879 -0.520 -3.296) 3.451 5.486 ( -3.642 -1.967 -0.733) 4.203 5.630 ( 0.152 -6.890 0.262) 6.897 6.249 ( 0.824 0.953 9.745) 9.826 6.691 ( 7.592 1.610 -13.848) 15.874 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 1.818 -0.192) 1.828 2.489 ( 0.000 2.363 -0.280) 2.380 3.165 ( -0.000 -0.664 0.230) 0.703 3.935 ( -0.000 2.793 1.505) 3.173 3.960 ( -0.000 -6.046 5.406) 8.111 4.505 ( 0.000 0.022 -1.118) 1.118 4.846 ( -0.000 -0.309 0.206) 0.371 5.081 ( 0.000 3.359 0.560) 3.405 5.537 ( 0.000 2.095 -0.227) 2.107 5.627 ( 0.000 -1.847 -1.948) 2.684 5.639 ( 0.000 1.076 -1.582) 1.913 8.073 ( 0.000 2.061 -7.542) 7.819 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 1.112 1.905 2.291) 3.181 2.602 ( 11.548 0.355 -0.290) 11.557 3.183 ( 1.749 0.710 1.513) 2.419 3.914 ( -1.352 -2.867 2.335) 3.937 3.968 ( 2.809 -2.078 0.366) 3.513 4.552 ( 4.271 1.194 0.628) 4.479 4.849 ( -0.185 0.711 1.102) 1.324 5.087 ( -0.135 -0.749 -0.692) 1.029 5.539 ( -1.098 0.656 0.366) 1.330 5.621 ( -0.724 1.754 0.239) 1.912 5.689 ( 5.617 0.413 -1.437) 5.812 7.984 ( -10.450 3.029 -6.794) 12.827 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 1.936 0.927 3.587) 4.180 2.837 ( 16.867 -2.705 -1.391) 17.139 3.235 ( 2.177 0.742 2.232) 3.205 3.883 ( -0.115 -1.217 -0.861) 1.495 3.994 ( 4.349 -4.591 0.379) 6.335 4.640 ( 2.788 2.458 2.128) 4.283 4.863 ( -0.624 2.272 1.643) 2.872 5.091 ( 4.574 -3.650 -0.345) 5.862 5.516 ( -2.038 -0.906 1.673) 2.789 5.631 ( -0.617 2.127 1.148) 2.494 5.816 ( 8.926 1.532 -1.891) 9.252 7.745 ( -19.288 3.348 -5.054) 20.219 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 2.506 -0.809 3.682) 4.527 3.048 ( 13.709 -7.872 -2.236) 15.966 3.262 ( 0.866 -1.563 1.003) 2.049 3.882 ( 2.160 -0.726 -4.247) 4.820 4.042 ( 5.275 -2.883 2.765) 6.617 4.698 ( 0.777 2.334 3.038) 3.909 4.871 ( -1.060 1.818 0.445) 2.151 5.179 ( 7.984 -2.857 2.324) 8.792 5.469 ( -2.359 -2.070 2.842) 4.234 5.649 ( 0.743 0.453 1.653) 1.868 5.991 ( 10.155 3.423 -4.185) 11.504 7.387 ( -25.171 2.712 -1.769) 25.378 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 2.848 -2.003 3.104) 4.665 3.066 ( 2.332 -14.782 -1.287) 15.020 3.288 ( 4.119 -0.599 -0.735) 4.227 3.913 ( 3.836 0.218 -5.419) 6.643 4.113 ( 3.273 -1.419 3.185) 4.783 4.751 ( 2.407 1.630 2.918) 4.119 4.878 ( 0.814 0.553 -0.573) 1.139 5.224 ( -1.075 -5.881 4.136) 7.269 5.460 ( 2.196 0.020 2.393) 3.248 5.680 ( 2.707 -1.305 2.341) 3.810 6.171 ( 8.885 4.374 -8.455) 13.021 6.981 ( -25.683 2.236 4.434) 26.159 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 2.776 -1.773 2.274) 4.002 2.905 ( -2.302 -15.351 -0.510) 15.531 3.351 ( 3.586 0.052 -0.392) 3.607 3.968 ( 4.533 -0.409 -5.066) 6.811 4.124 ( -1.697 -0.283 2.122) 2.732 4.828 ( 4.205 0.529 1.509) 4.499 4.905 ( 2.553 -0.464 -1.958) 3.251 5.094 ( -6.598 -8.287 4.475) 11.499 5.500 ( 1.751 -2.066 1.104) 2.925 5.710 ( 0.120 -1.560 1.504) 2.170 6.270 ( 2.500 2.239 -13.430) 13.843 6.691 ( -14.275 5.247 13.970) 20.651 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 1.711 4.558) 4.869 2.496 ( -0.000 -1.781 0.359) 1.817 3.192 ( -0.000 2.602 2.545) 3.640 3.897 ( -0.000 -5.898 -1.916) 6.202 3.921 ( -0.000 -0.619 2.013) 2.106 4.531 ( -0.000 2.154 1.261) 2.496 4.864 ( -0.000 1.322 1.640) 2.106 5.056 ( -0.000 -5.642 -1.712) 5.896 5.549 ( -0.000 -0.298 0.490) 0.574 5.633 ( 0.000 -0.309 -2.126) 2.149 5.677 ( -0.000 5.970 3.165) 6.757 8.082 ( 0.000 3.949 -6.779) 7.845 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.410 -0.136 5.268) 5.286 2.561 ( 10.569 -4.892 -0.228) 11.648 3.237 ( 0.539 2.390 3.385) 4.178 3.843 ( 2.176 -6.386 -2.754) 7.287 3.926 ( -0.308 1.018 1.303) 1.682 4.602 ( 4.638 2.240 1.588) 5.390 4.891 ( 0.504 2.298 1.679) 2.890 4.980 ( 1.290 -9.143 -1.579) 9.367 5.532 ( -1.286 -1.883 1.352) 2.651 5.636 ( 1.355 -0.909 -1.589) 2.278 5.779 ( 1.998 9.300 3.694) 10.204 8.012 ( -10.433 4.349 -6.013) 12.803 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 1.254 -2.896 4.732) 5.688 2.706 ( 14.578 -10.126 -2.000) 17.862 3.252 ( -0.791 -1.609 2.550) 3.117 3.841 ( 2.879 -0.852 -3.696) 4.762 3.951 ( 2.550 -0.338 3.211) 4.114 4.694 ( 2.803 0.971 1.269) 3.226 4.873 ( -0.086 -5.124 -2.599) 5.746 5.022 ( 8.701 -0.402 4.020) 9.593 5.483 ( -1.909 -3.694 2.426) 4.814 5.636 ( 0.602 -1.640 -1.220) 2.130 5.942 ( 3.946 11.516 2.495) 12.426 7.783 ( -19.358 3.797 -3.827) 20.095 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 2.740 -4.791 3.881) 6.748 2.789 ( 10.722 -16.668 -2.859) 20.024 3.226 ( 1.199 -2.938 1.058) 3.345 3.872 ( 1.038 3.101 -5.328) 6.252 4.035 ( 5.905 -1.226 5.326) 8.046 4.726 ( 2.033 -2.191 1.124) 3.194 4.830 ( 1.729 -4.279 -2.721) 5.357 5.181 ( 5.121 -0.519 5.082) 7.233 5.439 ( 0.422 -2.024 3.307) 3.900 5.622 ( 1.372 -2.638 -1.834) 3.494 6.129 ( 3.780 11.854 0.033) 12.442 7.438 ( -24.440 2.952 1.119) 24.644 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 4.325 -4.748 3.248) 7.198 2.724 ( 4.194 -18.902 -1.409) 19.413 3.266 ( 5.260 -1.441 0.120) 5.455 3.898 ( 1.619 1.487 -5.629) 6.043 4.122 ( 2.927 -0.067 3.160) 4.308 4.744 ( 4.411 -5.665 0.639) 7.208 4.831 ( 2.652 -1.330 -2.807) 4.084 5.148 ( -5.025 -6.121 4.947) 9.338 5.475 ( 0.397 0.353 2.019) 2.088 5.651 ( 5.251 -1.421 -1.348) 5.605 6.264 ( 0.049 9.439 -5.265) 10.808 7.093 ( -21.439 4.170 11.395) 24.635 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -0.000 -2.929 5.491) 6.223 2.411 ( -0.000 -7.733 -0.024) 7.734 3.276 ( -0.000 2.242 4.890) 5.380 3.737 ( -0.000 -8.043 -1.517) 8.185 3.969 ( 0.000 4.975 -0.767) 5.034 4.575 ( -0.000 0.952 1.367) 1.666 4.855 ( -0.000 -12.691 -2.349) 12.906 4.911 ( -0.000 2.219 1.215) 2.530 5.532 ( -0.000 -2.564 2.134) 3.336 5.600 ( 0.000 -1.529 -1.878) 2.422 5.895 ( -0.000 13.498 5.554) 14.596 8.123 ( 0.000 4.999 -6.549) 8.239 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.262 -6.514 4.440) 7.888 2.393 ( 8.676 -12.367 -1.348) 15.167 3.275 ( -2.655 -2.630 4.512) 5.858 3.721 ( 6.196 -4.126 0.324) 7.451 3.992 ( -2.596 4.844 -0.995) 5.585 4.633 ( 4.529 -0.310 0.065) 4.540 4.741 ( 2.828 -12.130 -1.960) 12.608 4.956 ( 2.756 2.650 1.656) 4.167 5.488 ( -2.065 -3.915 2.249) 4.965 5.596 ( 1.452 -2.145 -0.720) 2.688 6.064 ( 0.384 16.733 5.325) 17.564 8.060 ( -10.588 4.763 -5.916) 13.031 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 2.130 -8.897 3.342) 9.740 2.419 ( 11.693 -17.603 -3.043) 21.351 3.194 ( -1.682 -6.488 3.171) 7.415 3.837 ( 7.313 1.429 -0.855) 7.500 3.984 ( -0.891 0.857 1.771) 2.160 4.625 ( 2.607 -9.054 -1.388) 9.523 4.751 ( 3.806 -1.891 -1.118) 4.395 5.082 ( 7.755 2.091 1.311) 8.138 5.428 ( -0.769 -3.539 3.409) 4.973 5.586 ( 0.032 -2.464 -0.379) 2.493 6.253 ( -0.067 17.680 4.151) 18.161 7.834 ( -19.028 3.834 -2.765) 19.606 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 5.174 -9.011 2.862) 10.778 2.404 ( 9.812 -20.504 -2.779) 22.900 3.161 ( 4.022 -5.454 2.380) 7.182 3.901 ( -0.995 3.138 -5.496) 6.406 4.042 ( 6.805 -2.476 4.249) 8.396 4.591 ( 4.053 -8.677 -0.236) 9.580 4.781 ( 2.200 -0.372 -2.165) 3.109 5.151 ( -0.173 -4.268 0.370) 4.288 5.481 ( 5.492 2.477 4.231) 7.362 5.550 ( -0.090 -2.914 -1.670) 3.360 6.406 ( -2.932 15.650 1.396) 15.983 7.523 ( -21.424 3.792 5.475) 22.436 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -0.000 -10.704 3.203) 11.173 2.182 ( -0.000 -15.721 -1.586) 15.800 3.286 ( -0.000 -6.947 5.193) 8.673 3.614 ( -0.000 -4.207 1.767) 4.563 4.072 ( 0.000 6.030 -2.804) 6.650 4.579 ( -0.000 -1.165 0.313) 1.206 4.591 ( -0.000 -11.499 -0.966) 11.539 4.963 ( 0.000 2.300 0.802) 2.436 5.479 ( -0.000 -4.918 3.136) 5.833 5.554 ( -0.000 -2.247 -0.635) 2.335 6.263 ( 0.000 20.421 5.308) 21.099 8.174 ( 0.000 5.121 -7.274) 8.896 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 1.368 -13.435 2.000) 13.651 2.069 ( 7.194 -19.401 -2.666) 20.863 3.160 ( -3.020 -13.389 3.348) 14.128 3.682 ( 9.049 -1.963 2.929) 9.712 4.062 ( -4.788 2.980 -2.562) 6.194 4.509 ( 1.031 -7.001 0.877) 7.131 4.636 ( 6.853 -1.878 -0.962) 7.170 5.013 ( 3.315 2.417 0.366) 4.119 5.417 ( -1.603 -5.350 2.995) 6.337 5.551 ( 1.619 -2.254 0.846) 2.902 6.476 ( -1.351 22.015 4.490) 22.509 8.107 ( -10.496 4.617 -6.551) 13.206 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.924 -13.796 1.479) 14.723 2.015 ( 10.730 -21.362 -3.208) 24.119 3.023 ( 3.007 -14.698 2.765) 15.255 3.843 ( 10.258 -0.985 0.800) 10.336 3.984 ( -4.286 -0.769 -1.914) 4.756 4.485 ( 1.429 -4.333 2.943) 5.430 4.710 ( 4.542 -1.751 -3.205) 5.828 5.095 ( 3.215 0.391 -2.454) 4.064 5.389 ( 3.547 -4.400 3.892) 6.862 5.559 ( 0.256 -0.261 1.859) 1.895 6.653 ( -4.279 20.743 3.217) 21.422 7.893 ( -17.193 3.864 -1.225) 17.664 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -0.000 -16.828 0.800) 16.847 1.802 ( -0.000 -21.625 -2.601) 21.781 3.012 ( -0.000 -23.802 0.206) 23.803 3.603 ( -0.000 0.261 5.051) 5.058 4.130 ( 0.000 2.041 -3.632) 4.166 4.466 ( -0.000 -2.551 4.218) 4.929 4.536 ( 0.000 -2.847 -1.388) 3.167 5.011 ( -0.000 1.956 1.468) 2.445 5.386 ( -0.000 -6.591 1.967) 6.879 5.513 ( -0.000 -2.083 1.466) 2.547 6.728 ( 0.000 24.016 3.929) 24.335 8.215 ( 0.000 4.985 -8.995) 10.284 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 3.318 -17.975 0.134) 18.279 1.640 ( 7.149 -22.670 -2.863) 23.942 2.772 ( 3.278 -27.506 -0.920) 27.716 3.693 ( 6.875 0.814 4.829) 8.441 4.062 ( -5.995 -0.718 -3.397) 6.928 4.469 ( -0.195 -1.453 6.631) 6.791 4.577 ( 6.844 -1.943 -4.567) 8.454 5.055 ( 2.278 1.645 0.957) 2.968 5.319 ( -0.088 -6.595 1.432) 6.750 5.532 ( 2.801 -1.049 2.746) 4.061 6.945 ( -3.272 23.262 3.541) 23.756 8.145 ( -9.756 4.473 -7.655) 13.183 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.000 -20.547 -0.603) 20.556 1.344 ( -0.000 -23.760 -2.259) 23.867 2.420 ( -0.000 -35.095 -3.963) 35.318 3.677 ( -0.000 2.791 6.876) 7.421 4.100 ( 0.000 -2.531 -2.969) 3.901 4.452 ( 0.000 -4.064 -3.590) 5.423 4.506 ( -0.000 1.324 6.323) 6.460 5.056 ( -0.000 0.184 4.920) 4.923 5.262 ( -0.000 -5.872 -2.067) 6.225 5.499 ( -0.000 -1.226 3.602) 3.805 7.211 ( 0.000 22.697 4.262) 23.093 8.239 ( 0.000 5.030 -11.897) 12.917 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.000 0.000 20.446) 20.446 0.451 ( -0.000 0.000 20.446) 20.446 0.785 ( -0.000 0.000 36.226) 36.226 3.790 ( 0.000 -0.000 -8.738) 8.738 3.790 ( 0.000 -0.000 -8.738) 8.738 4.290 ( -0.000 0.000 5.578) 5.578 4.290 ( -0.000 0.000 5.578) 5.578 4.929 ( 0.000 -0.000 -6.295) 6.295 5.522 ( -0.000 0.000 1.271) 1.271 5.522 ( 0.000 -0.000 1.271) 1.271 7.105 ( -0.000 0.000 0.851) 0.851 9.366 ( -0.000 0.000 0.526) 0.526 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 11.652 6.727 16.281) 21.121 0.692 ( 12.457 7.192 15.010) 20.790 1.183 ( 22.058 12.735 22.077) 33.707 3.769 ( 3.028 1.748 -8.652) 9.331 3.823 ( 2.607 1.505 -7.786) 8.348 4.261 ( -1.612 -0.931 4.612) 4.973 4.529 ( 12.978 7.493 1.833) 15.097 4.896 ( -0.238 -0.138 -7.271) 7.276 5.432 ( -3.062 -1.768 6.056) 7.013 5.590 ( 2.493 1.439 2.799) 4.015 7.296 ( 9.231 5.330 -13.649) 17.318 8.910 ( -30.057 -17.353 16.104) 38.261 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 13.615 7.861 9.424) 18.330 1.054 ( 15.804 9.124 9.572) 20.606 1.791 ( 26.568 15.339 8.525) 31.841 3.850 ( 1.822 1.052 -5.154) 5.567 3.854 ( 6.504 3.755 -4.465) 8.737 4.254 ( 0.035 0.020 2.061) 2.061 4.749 ( 2.889 1.668 3.443) 4.794 4.946 ( 10.025 5.788 -5.582) 12.851 5.404 ( -2.484 -1.434 6.519) 7.122 5.639 ( 0.891 0.515 2.756) 2.942 7.325 ( -1.264 -0.730 -15.927) 15.994 8.310 ( -28.698 -16.569 10.668) 34.812 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 13.734 7.929 2.545) 16.062 1.442 ( 16.591 9.579 5.686) 19.984 2.381 ( 24.698 14.259 0.620) 28.525 3.867 ( 0.786 0.454 -1.574) 1.817 4.014 ( 8.122 4.689 1.766) 9.543 4.280 ( 2.109 1.218 -1.140) 2.689 4.756 ( -0.321 -0.186 -0.682) 0.776 5.221 ( 12.181 7.033 2.510) 14.288 5.346 ( -4.311 -2.489 5.339) 7.300 5.642 ( -1.333 -0.770 1.621) 2.235 7.167 ( -7.327 -4.230 -14.076) 16.423 7.702 ( -27.839 -16.073 0.212) 32.146 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 12.655 7.307 -2.530) 14.830 1.815 ( 15.433 8.910 2.835) 18.045 2.866 ( 19.072 11.011 -3.151) 22.246 3.879 ( 0.443 0.256 1.344) 1.438 4.214 ( 8.285 4.783 7.191) 11.968 4.335 ( 3.436 1.983 -3.176) 5.082 4.758 ( 0.747 0.431 -0.818) 1.189 5.211 ( -7.246 -4.183 3.806) 9.192 5.495 ( 8.943 5.163 4.181) 11.141 5.595 ( -3.072 -1.774 0.446) 3.575 6.946 ( -7.883 -4.551 -9.639) 13.257 7.092 ( -25.166 -14.530 -9.381) 30.536 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 10.366 5.985 -5.153) 13.031 2.134 ( 12.483 7.207 0.930) 14.444 3.191 ( 11.312 6.531 -3.670) 13.567 3.898 ( 0.576 0.333 2.968) 3.042 4.403 ( 3.645 2.104 -3.607) 5.542 4.408 ( 5.424 3.132 8.591) 10.632 4.779 ( 1.342 0.775 0.213) 1.565 5.067 ( -5.488 -3.169 1.459) 6.503 5.521 ( -3.449 -1.991 0.258) 3.990 5.625 ( 1.157 0.668 2.554) 2.883 6.551 ( -17.462 -10.082 -23.242) 30.769 6.805 ( -3.538 -2.043 6.239) 7.458 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 7.338 4.237 -5.520) 10.113 2.366 ( 8.210 4.740 -0.107) 9.481 3.351 ( 4.678 2.701 -3.751) 6.576 3.918 ( -0.020 -0.012 3.277) 3.277 4.438 ( -4.679 -2.701 3.539) 6.459 4.468 ( 3.186 1.839 -2.958) 4.720 4.847 ( 4.295 2.480 1.513) 5.185 5.008 ( -0.438 -0.253 0.732) 0.890 5.458 ( -2.260 -1.305 1.415) 2.969 5.576 ( -4.698 -2.712 0.958) 5.508 6.188 ( -7.420 -4.284 -25.899) 27.279 6.846 ( 3.021 1.744 17.733) 18.073 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 4.216 2.434 -4.378) 6.547 2.493 ( 3.243 1.872 -0.409) 3.766 3.392 ( 0.928 0.536 -5.106) 5.217 3.908 ( -1.873 -1.081 2.201) 3.086 4.304 ( -5.944 -3.432 -2.629) 7.349 4.523 ( 2.465 1.423 -1.629) 3.279 4.919 ( 1.387 0.801 -0.169) 1.610 5.018 ( 0.085 0.049 1.662) 1.665 5.437 ( -0.258 -0.149 3.160) 3.174 5.501 ( -1.475 -0.852 1.089) 2.022 6.022 ( -0.859 -0.496 -20.328) 20.352 7.036 ( 6.974 4.027 24.375) 25.671 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.826 0.477 -2.564) 2.735 2.505 ( -2.120 -1.224 0.031) 2.448 3.383 ( 0.373 0.215 -5.087) 5.105 3.848 ( -3.725 -2.151 -0.054) 4.302 4.190 ( -2.590 -1.496 -7.191) 7.789 4.563 ( 1.350 0.779 -0.052) 1.559 4.915 ( -2.017 -1.164 0.067) 2.330 4.995 ( -2.309 -1.333 0.398) 2.696 5.463 ( 1.239 0.715 4.064) 4.308 5.517 ( 2.068 1.194 1.492) 2.815 5.993 ( 3.493 2.017 -13.640) 14.224 7.305 ( 8.907 5.142 26.743) 28.652 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -4.397 -2.538 -1.128) 5.201 2.394 ( -8.165 -4.714 0.917) 9.472 3.382 ( 0.266 0.154 -1.899) 1.923 3.757 ( -3.634 -2.098 -2.706) 4.993 4.134 ( -0.382 -0.221 -8.901) 8.912 4.578 ( -0.231 -0.133 1.225) 1.253 4.792 ( -8.281 -4.781 0.321) 9.568 4.971 ( 0.426 0.246 -1.501) 1.580 5.508 ( 1.386 0.800 3.215) 3.591 5.563 ( 0.735 0.424 -0.127) 0.858 6.097 ( 9.824 5.672 -8.184) 13.988 7.598 ( 8.989 5.190 25.548) 27.576 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -10.587 -6.112 -0.794) 12.250 2.147 ( -14.384 -8.304 1.475) 16.674 3.324 ( -7.505 -4.333 1.266) 8.758 3.685 ( -1.475 -0.851 -4.792) 5.086 4.098 ( -0.448 -0.259 -4.569) 4.598 4.561 ( -1.842 -1.063 2.079) 2.974 4.620 ( -5.619 -3.244 -3.834) 7.537 4.991 ( 1.809 1.044 -1.736) 2.716 5.526 ( -3.691 -2.131 -1.590) 4.549 5.537 ( 0.411 0.237 0.856) 0.979 6.372 ( 16.615 9.593 -5.329) 19.912 7.867 ( 7.656 4.420 21.618) 23.355 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -15.245 -8.802 -0.675) 17.617 1.780 ( -18.880 -10.901 1.589) 21.859 3.001 ( -21.885 -12.635 2.231) 25.369 3.661 ( 0.924 0.534 -6.033) 6.127 4.101 ( 0.687 0.397 1.972) 2.126 4.514 ( -3.011 -1.738 2.778) 4.450 4.527 ( -1.266 -0.731 -7.202) 7.349 5.033 ( 2.357 1.361 -2.647) 3.797 5.403 ( -6.500 -3.753 -1.286) 7.614 5.531 ( -0.725 -0.418 -1.884) 2.061 6.771 ( 20.372 11.762 -4.308) 23.915 8.082 ( 5.711 3.297 16.284) 17.569 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.000 12.122 15.073) 19.342 0.757 ( -0.000 12.893 18.128) 22.246 1.281 ( -0.000 24.402 22.127) 32.941 3.663 ( 0.000 -3.133 -8.685) 9.233 3.847 ( 0.000 7.640 -7.747) 10.880 4.384 ( -0.000 2.907 4.469) 5.331 4.395 ( 0.000 5.980 1.768) 6.236 4.872 ( 0.000 -0.190 -7.758) 7.761 5.469 ( -0.000 -2.619 0.142) 2.623 5.498 ( -0.000 -6.057 9.370) 11.157 7.302 ( 0.000 13.107 -10.186) 16.600 9.006 ( -0.000 -27.257 11.592) 29.619 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 7.885 13.207 12.330) 19.713 1.008 ( 7.775 13.760 13.240) 20.618 1.695 ( 11.973 25.524 11.153) 30.319 3.672 ( 7.093 -2.700 -7.128) 10.412 3.901 ( 0.175 8.292 -5.344) 9.866 4.312 ( -4.624 2.090 3.204) 6.001 4.652 ( 12.731 2.770 3.321) 13.445 4.858 ( 2.268 2.890 -8.603) 9.354 5.434 ( -1.186 -2.434 5.687) 6.299 5.536 ( 6.088 -6.356 3.109) 9.334 7.337 ( -2.877 4.290 -11.163) 12.300 8.606 ( -20.836 -20.937 9.707) 31.092 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 8.232 11.284 7.480) 15.844 1.357 ( 11.804 15.572 7.794) 21.037 2.196 ( 17.342 21.408 1.857) 27.614 3.772 ( 8.712 -1.321 -4.977) 10.120 3.980 ( 2.002 6.657 0.720) 6.989 4.292 ( -1.161 2.227 1.097) 2.741 4.751 ( 0.775 -0.316 -1.551) 1.762 5.061 ( 14.921 6.755 -1.057) 16.413 5.389 ( -2.946 -4.841 5.963) 8.226 5.579 ( 4.601 -5.343 0.165) 7.053 7.213 ( -7.395 -3.212 -10.225) 13.022 8.042 ( -28.127 -15.046 2.708) 32.013 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 9.285 9.653 0.872) 13.422 1.729 ( 11.541 16.105 4.758) 20.376 2.667 ( 17.677 15.243 -2.714) 23.499 3.863 ( 3.610 1.282 -3.343) 5.084 4.113 ( 7.217 1.523 6.619) 9.910 4.328 ( 1.758 4.655 -0.282) 4.984 4.758 ( 0.450 1.978 -2.377) 3.125 5.271 ( -4.297 -5.995 4.425) 8.601 5.373 ( 12.583 3.651 0.604) 13.116 5.578 ( 0.922 -4.222 -0.207) 4.327 6.994 ( -8.191 -6.603 -7.499) 12.921 7.423 ( -30.465 -10.506 -5.058) 32.620 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 9.295 7.719 -3.521) 12.585 2.069 ( 9.322 15.255 2.539) 18.058 3.037 ( 13.885 8.886 -3.604) 16.874 3.907 ( 1.004 2.080 -0.357) 2.337 4.248 ( 7.225 -3.801 3.242) 8.784 4.451 ( 4.480 8.381 3.585) 10.157 4.789 ( 0.561 3.761 -1.528) 4.098 5.120 ( -6.083 -6.824 2.117) 9.384 5.518 ( 0.784 -4.500 -3.658) 5.852 5.592 ( 5.186 2.301 2.365) 6.146 6.773 ( -19.525 1.118 -22.582) 29.873 6.860 ( -12.180 -12.551 10.695) 20.500 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 7.970 5.560 -5.274) 11.056 2.338 ( 5.724 13.113 1.106) 14.351 3.266 ( 7.739 3.912 -3.511) 9.356 3.941 ( 0.177 2.316 1.730) 2.897 4.301 ( 4.696 -7.056 0.396) 8.486 4.601 ( -0.138 8.550 2.731) 8.977 4.831 ( 0.772 3.846 0.083) 3.924 4.999 ( -1.206 -4.086 0.491) 4.289 5.464 ( -0.858 -2.934 -0.303) 3.072 5.642 ( -1.069 0.371 -1.244) 1.682 6.292 ( -20.618 0.638 -23.473) 31.249 6.832 ( 4.703 -4.579 17.460) 18.653 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.755 3.469 -5.125) 8.451 2.512 ( 1.345 10.232 0.397) 10.327 3.355 ( 2.412 1.068 -4.465) 5.186 3.958 ( -1.979 2.172 2.171) 3.654 4.261 ( 0.216 -9.248 -1.224) 9.332 4.620 ( -5.230 9.139 -2.515) 10.826 4.893 ( 2.548 1.001 0.215) 2.746 5.000 ( 2.214 -0.927 1.508) 2.834 5.453 ( 0.571 0.822 2.022) 2.256 5.585 ( -5.753 1.850 0.750) 6.089 5.992 ( -6.932 0.886 -21.164) 22.288 6.996 ( 9.265 -1.546 22.978) 24.823 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 3.122 1.514 -3.970) 5.273 2.581 ( -3.422 7.250 0.425) 8.028 3.360 ( 0.215 0.310 -5.262) 5.276 3.919 ( -5.059 0.638 0.788) 5.160 4.157 ( -1.214 -6.320 -4.660) 7.946 4.627 ( -3.051 8.101 -2.510) 9.013 4.918 ( 0.398 -0.400 -0.792) 0.973 5.021 ( -0.594 -0.407 1.895) 2.027 5.498 ( -0.450 3.444 4.194) 5.445 5.532 ( -1.952 2.485 1.041) 3.327 5.905 ( 2.024 0.854 -14.624) 14.788 7.248 ( 11.590 -0.447 24.818) 27.395 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.815 -0.945 -2.608) 2.891 2.536 ( -8.959 3.953 1.087) 9.853 3.353 ( 0.978 -0.404 -3.631) 3.782 3.822 ( -5.669 -0.518 -1.302) 5.839 4.089 ( 0.205 -1.984 -7.085) 7.360 4.642 ( -2.955 5.954 -0.970) 6.717 4.877 ( -4.833 -3.034 1.116) 5.814 4.989 ( -2.518 1.663 -0.574) 3.072 5.503 ( -0.658 0.091 3.428) 3.492 5.583 ( 0.778 3.803 0.371) 3.899 5.964 ( 7.812 3.600 -8.921) 12.393 7.529 ( 12.321 -0.676 23.398) 26.453 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -6.996 -3.933 -1.844) 8.235 2.359 ( -15.248 -0.244 1.751) 15.350 3.337 ( -0.697 -4.245 -1.347) 4.507 3.743 ( -3.890 2.808 -2.169) 5.265 4.062 ( 0.599 -0.892 -6.362) 6.452 4.619 ( -4.899 1.400 1.287) 5.255 4.726 ( -8.330 -0.929 -0.815) 8.421 4.988 ( -0.395 3.117 -1.070) 3.319 5.500 ( 0.040 -2.152 0.793) 2.294 5.594 ( -2.120 1.444 -0.720) 2.664 6.178 ( 14.070 7.714 -5.690) 17.025 7.792 ( 11.555 -1.912 19.268) 22.549 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -13.082 -5.907 -1.381) 14.420 2.044 ( -20.500 -3.931 2.121) 20.981 3.181 ( -11.208 -9.219 -0.772) 14.533 3.713 ( -4.603 6.067 -3.130) 8.233 4.051 ( 2.237 -3.042 -0.449) 3.802 4.525 ( -3.714 -1.735 -1.596) 4.399 4.629 ( -6.185 3.763 -0.162) 7.241 5.019 ( 0.624 3.132 -0.753) 3.281 5.444 ( -3.632 -3.388 -2.167) 5.419 5.561 ( -2.214 0.928 -1.020) 2.609 6.523 ( 19.252 9.393 -4.523) 21.894 8.002 ( 9.984 -3.811 13.471) 17.195 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -0.000 17.685 9.886) 20.261 1.132 ( -0.000 13.542 14.653) 19.952 1.912 ( 0.000 29.320 7.518) 30.269 3.559 ( 0.000 -1.974 -6.576) 6.865 3.966 ( 0.000 9.028 -4.585) 10.125 4.456 ( -0.000 2.213 1.863) 2.892 4.491 ( -0.000 1.657 3.675) 4.032 4.842 ( 0.000 3.673 -8.289) 9.067 5.437 ( -0.000 -0.660 0.393) 0.768 5.444 ( -0.000 -6.443 9.089) 11.141 7.351 ( 0.000 -2.115 -7.651) 7.938 8.605 ( -0.000 -20.128 4.616) 20.650 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 2.634 14.019 9.493) 17.134 1.377 ( 8.172 17.020 8.628) 20.758 2.249 ( 5.393 26.795 0.722) 27.342 3.594 ( 7.738 -0.892 -4.835) 9.168 4.039 ( -0.060 7.977 -0.891) 8.027 4.367 ( -5.087 1.510 2.466) 5.852 4.672 ( 8.795 -1.249 1.165) 8.959 4.908 ( 7.141 6.985 -6.293) 11.806 5.396 ( -1.806 -6.443 6.810) 9.547 5.471 ( 3.589 -0.633 0.518) 3.681 7.228 ( -4.376 -10.706 -5.224) 12.691 8.297 ( -16.968 -13.304 -1.183) 21.595 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 3.943 11.346 3.921) 12.636 1.740 ( 10.582 18.870 6.058) 22.467 2.593 ( 9.340 19.859 -3.597) 22.238 3.734 ( 9.891 0.786 -4.875) 11.055 4.104 ( 0.075 3.335 5.882) 6.763 4.355 ( 0.153 4.116 1.382) 4.344 4.747 ( 2.548 1.260 -1.933) 3.438 5.145 ( 14.379 3.442 -4.188) 15.366 5.302 ( -4.011 -6.841 4.042) 8.901 5.526 ( 2.705 -0.218 1.498) 3.100 6.992 ( -5.744 -16.103 -2.152) 17.231 7.818 ( -26.994 -5.786 -7.466) 28.599 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.503 9.293 -1.302) 10.878 2.108 ( 8.724 19.526 4.339) 21.822 2.907 ( 11.267 12.026 -3.831) 16.919 3.865 ( 6.054 2.038 -5.583) 8.484 4.147 ( 2.186 -2.725 7.268) 8.064 4.465 ( 4.329 8.063 3.461) 9.784 4.800 ( 2.042 3.315 -1.551) 4.191 5.164 ( -6.014 -5.911 1.564) 8.577 5.349 ( 10.345 -1.844 -9.054) 13.871 5.574 ( 1.693 1.154 4.289) 4.753 6.768 ( -1.368 -15.760 4.134) 16.351 7.262 ( -31.753 0.151 -12.676) 34.190 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 6.217 7.060 -4.020) 10.231 2.418 ( 4.743 18.676 2.902) 19.486 3.157 ( 9.287 6.124 -2.814) 11.475 3.945 ( 2.994 2.959 -2.602) 4.949 4.174 ( 3.372 -5.604 3.515) 7.425 4.637 ( 4.686 7.193 3.550) 9.289 4.867 ( 1.899 4.242 0.101) 4.649 5.012 ( -6.175 -3.680 -1.161) 7.282 5.404 ( 4.118 -2.708 -6.796) 8.395 5.617 ( 1.353 0.105 -0.889) 1.623 6.704 ( -31.098 3.962 -14.881) 34.702 6.716 ( 6.806 -10.672 13.316) 18.373 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 5.603 4.907 -4.639) 8.775 2.636 ( 0.184 16.293 2.091) 16.428 3.302 ( 4.443 2.562 -2.935) 5.909 4.008 ( 0.694 3.849 0.306) 3.923 4.164 ( 1.472 -6.808 0.469) 6.981 4.742 ( 0.331 4.108 -1.673) 4.448 4.895 ( -3.386 1.940 -2.076) 4.420 4.955 ( 3.047 1.028 2.387) 4.005 5.436 ( 3.227 0.971 -1.655) 3.754 5.622 ( 0.841 -0.159 -3.851) 3.945 6.232 ( -24.424 5.712 -13.864) 28.659 6.854 ( 11.934 -6.996 19.590) 23.982 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 3.919 2.987 -4.151) 6.443 2.752 ( -4.232 13.422 1.976) 14.212 3.346 ( 0.602 1.113 -3.618) 3.833 4.014 ( -4.248 1.185 -0.404) 4.429 4.105 ( -0.666 -4.446 -1.175) 4.646 4.743 ( -2.652 5.621 -5.533) 8.321 4.887 ( 1.768 -1.083 -1.058) 2.328 5.028 ( 1.367 3.317 3.010) 4.683 5.514 ( 3.150 3.340 0.843) 4.668 5.622 ( -1.218 1.915 -0.942) 2.457 5.928 ( -11.927 4.070 -11.029) 16.747 7.084 ( 14.055 -5.806 21.158) 26.056 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.249 0.989 -3.317) 3.680 2.766 ( -9.068 10.509 2.414) 14.089 3.335 ( -0.681 -0.098 -3.408) 3.477 3.900 ( -5.748 -3.041 -1.868) 6.766 4.070 ( -1.259 1.150 -3.152) 3.583 4.738 ( -2.288 4.845 -3.954) 6.659 4.896 ( 0.031 -1.472 -0.232) 1.490 5.070 ( -2.274 5.171 1.601) 5.872 5.583 ( -6.005 2.114 2.765) 6.941 5.591 ( 2.036 2.354 -0.927) 3.247 5.863 ( 3.549 3.730 -7.640) 9.213 7.342 ( 14.998 -6.296 19.431) 25.341 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -3.347 -1.344 -2.693) 4.502 2.654 ( -15.513 6.103 2.666) 16.882 3.302 ( -0.623 -2.913 -2.169) 3.685 3.806 ( -2.266 -0.047 -0.623) 2.350 4.053 ( -1.447 2.682 -5.455) 6.248 4.721 ( -3.600 2.557 -1.370) 4.623 4.828 ( -5.657 -2.640 1.361) 6.390 5.080 ( -3.953 8.353 -0.999) 9.295 5.509 ( -3.243 -1.183 0.591) 3.502 5.615 ( -0.085 -0.522 -0.581) 0.785 6.023 ( 10.662 7.248 -4.973) 13.818 7.584 ( 14.785 -7.885 14.899) 22.422 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -9.336 -2.909 -2.274) 10.039 2.388 ( -21.122 0.965 2.691) 21.315 3.223 ( -4.124 -4.914 -2.312) 6.819 3.820 ( 0.026 4.411 1.653) 4.711 4.023 ( -2.399 0.978 -4.831) 5.481 4.613 ( -8.637 -1.658 0.798) 8.831 4.743 ( -3.662 1.566 0.280) 3.992 5.089 ( -3.663 6.824 -0.021) 7.745 5.458 ( -1.727 -1.051 -2.374) 3.119 5.586 ( -1.329 -1.552 -0.453) 2.093 6.298 ( 15.479 7.939 -4.418) 17.948 7.775 ( 13.543 -10.155 8.394) 18.894 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -0.000 11.731 8.835) 14.686 1.495 ( 0.000 19.806 6.070) 20.716 2.474 ( 0.000 26.630 -2.665) 26.763 3.505 ( 0.000 0.085 -3.170) 3.171 4.118 ( 0.000 8.308 -0.201) 8.310 4.497 ( 0.000 1.797 -0.642) 1.908 4.513 ( -0.000 -2.017 5.936) 6.269 4.906 ( 0.000 7.152 -5.292) 8.897 5.375 ( -0.000 -5.668 4.789) 7.421 5.451 ( -0.000 1.528 1.022) 1.839 7.103 ( -0.000 -19.482 -3.265) 19.754 8.317 ( 0.000 -9.218 -5.887) 10.937 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.618 10.641 4.185) 11.451 1.778 ( 8.265 19.143 4.706) 21.375 2.702 ( 1.087 21.482 -5.316) 22.157 3.575 ( 7.686 1.598 -2.326) 8.188 4.182 ( -1.883 5.065 4.199) 6.843 4.419 ( -2.970 2.966 2.916) 5.111 4.656 ( 8.060 -0.601 0.173) 8.084 5.001 ( 5.794 5.344 -2.986) 8.429 5.315 ( -2.651 -4.519 1.923) 5.581 5.496 ( 2.397 2.012 1.401) 3.429 6.855 ( -2.306 -24.090 -2.290) 24.308 8.098 ( -14.798 -3.877 -9.732) 18.131 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 1.930 8.966 -0.522) 9.186 2.145 ( 11.258 19.002 3.917) 22.431 2.895 ( 3.779 14.615 -4.340) 15.707 3.729 ( 8.957 2.136 -4.196) 10.119 4.167 ( -3.166 -1.804 7.460) 8.303 4.497 ( 2.808 8.861 3.663) 9.991 4.760 ( 4.960 0.821 -1.130) 5.153 5.137 ( 7.349 -2.701 -2.416) 8.194 5.228 ( -3.597 0.585 -3.214) 4.859 5.567 ( 2.489 1.953 2.976) 4.343 6.597 ( 0.335 -22.848 0.882) 22.867 7.707 ( -25.005 0.800 -12.431) 27.936 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 3.601 7.232 -3.162) 8.676 2.513 ( 8.634 19.191 3.256) 21.294 3.081 ( 6.397 8.569 -2.199) 10.917 3.867 ( 6.998 2.463 -5.051) 8.975 4.126 ( -0.798 -4.355 7.127) 8.390 4.646 ( 3.025 6.661 2.771) 7.822 4.846 ( 3.946 2.228 1.239) 4.698 5.085 ( -4.145 -2.897 -2.937) 5.848 5.268 ( 5.234 1.421 -7.753) 9.462 5.612 ( 0.168 0.418 0.965) 1.065 6.490 ( 8.531 -16.593 8.660) 20.569 7.221 ( -30.250 4.331 -13.366) 33.354 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 4.475 5.583 -3.766) 8.086 2.799 ( 2.619 18.027 2.744) 18.421 3.242 ( 5.627 4.356 -1.265) 7.228 3.984 ( 5.561 3.309 -3.528) 7.370 4.105 ( 0.376 -4.096 5.018) 6.488 4.715 ( 1.848 -0.517 -1.031) 2.178 4.911 ( 0.131 -1.628 0.942) 1.885 5.018 ( -2.184 6.667 -2.068) 7.314 5.349 ( 5.949 1.679 -5.349) 8.175 5.601 ( -0.315 -0.127 -2.175) 2.201 6.599 ( 13.059 -11.013 14.813) 22.611 6.724 ( -28.699 6.334 -11.514) 31.564 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.947 4.069 -3.400) 6.611 2.965 ( -2.740 15.241 2.855) 15.746 3.331 ( 2.040 2.064 -1.596) 3.312 4.042 ( -0.825 -1.538 -2.137) 2.760 4.108 ( 0.514 1.746 2.393) 3.006 4.728 ( 3.221 -1.567 -4.597) 5.828 4.863 ( -1.015 -2.024 -2.151) 3.123 5.088 ( -0.341 8.327 2.121) 8.600 5.455 ( 6.003 1.529 -2.752) 6.779 5.611 ( 1.694 1.850 -2.331) 3.424 6.285 ( -25.141 6.800 -7.062) 26.984 6.822 ( 16.202 -9.602 15.980) 24.699 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 2.157 2.521 -2.907) 4.412 3.028 ( -6.900 12.488 3.344) 14.654 3.343 ( -1.072 0.242 -1.989) 2.272 3.947 ( -5.504 -3.432 -1.801) 6.731 4.122 ( -2.042 2.942 -0.281) 3.592 4.761 ( 1.809 1.403 -5.768) 6.206 4.852 ( 2.347 -1.406 -0.747) 2.836 5.164 ( -0.816 7.675 2.217) 8.031 5.540 ( 4.376 -0.556 -2.427) 5.034 5.667 ( 1.300 4.062 -2.040) 4.728 5.981 ( -15.518 5.631 -2.000) 16.629 7.054 ( 16.672 -10.358 14.221) 24.238 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.921 0.834 -2.705) 2.977 2.984 ( -13.219 8.639 3.480) 16.170 3.294 ( -2.152 -2.276 -1.804) 3.615 3.834 ( -3.312 -1.597 0.127) 3.679 4.109 ( -2.463 3.804 -3.033) 5.453 4.765 ( -0.687 1.474 -3.216) 3.604 4.869 ( -0.556 -1.083 0.452) 1.298 5.218 ( -2.203 8.059 -0.641) 8.379 5.552 ( -0.702 -2.821 -5.241) 5.993 5.640 ( -5.865 1.644 2.831) 6.717 5.949 ( 3.975 7.192 -0.989) 8.277 7.266 ( 16.554 -12.155 9.576) 22.660 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -5.466 -0.337 -2.813) 6.156 2.760 ( -20.070 1.480 2.684) 20.302 3.237 ( -2.293 -1.196 -1.142) 2.827 3.827 ( 1.439 1.463 3.139) 3.750 4.089 ( -3.107 3.956 -4.783) 6.942 4.736 ( -4.790 0.528 -0.920) 4.906 4.805 ( -4.326 -0.755 1.938) 4.800 5.226 ( -4.413 4.895 -3.346) 7.391 5.470 ( -1.855 -0.470 -2.636) 3.257 5.598 ( -2.421 -0.669 2.485) 3.533 6.142 ( 10.397 7.133 -2.151) 12.791 7.430 ( 15.664 -14.362 2.650) 21.416 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 0.000 8.827 1.605) 8.972 1.897 ( 0.000 18.210 2.590) 18.394 2.871 ( 0.000 18.078 -7.083) 19.416 3.529 ( 0.000 3.494 0.997) 3.634 4.274 ( -0.000 5.230 5.059) 7.277 4.519 ( 0.000 1.514 -2.285) 2.741 4.535 ( -0.000 0.666 7.264) 7.295 4.998 ( 0.000 2.863 0.503) 2.906 5.311 ( 0.000 -1.053 -1.857) 2.135 5.501 ( 0.000 2.744 0.829) 2.867 6.611 ( -0.000 -27.192 -3.765) 27.452 8.154 ( 0.000 -2.065 -11.772) 11.951 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.315 7.269 -1.704) 7.472 2.146 ( 8.905 16.256 1.524) 18.599 2.993 ( -0.081 13.003 -5.272) 14.031 3.628 ( 5.463 4.707 1.004) 7.281 4.250 ( -5.926 -2.655 7.285) 9.759 4.565 ( 2.284 10.032 2.722) 10.642 4.646 ( 6.952 -0.876 0.670) 7.039 5.030 ( 2.424 -2.955 1.932) 4.283 5.289 ( -2.415 3.784 -4.494) 6.352 5.553 ( 2.401 2.701 1.100) 3.778 6.345 ( 1.034 -25.026 -3.413) 25.279 7.989 ( -13.088 0.348 -13.161) 18.564 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 1.638 6.036 -3.266) 7.056 2.495 ( 13.602 14.975 1.166) 20.264 3.097 ( 1.762 8.752 -2.121) 9.176 3.775 ( 6.026 4.877 -0.549) 7.772 4.147 ( -3.886 -5.415 7.357) 9.927 4.685 ( 0.401 3.972 2.034) 4.481 4.788 ( 7.988 5.851 0.658) 9.923 5.015 ( 1.770 -7.243 -1.406) 7.588 5.285 ( -2.215 6.910 -4.798) 8.699 5.613 ( 1.054 1.141 0.394) 1.602 6.196 ( 8.030 -18.427 1.922) 20.192 7.656 ( -22.606 2.940 -13.399) 26.442 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.204 5.139 -2.998) 6.758 2.855 ( 11.205 14.125 0.766) 18.046 3.206 ( 3.665 5.070 -0.057) 6.256 3.912 ( 5.364 4.928 -1.376) 7.413 4.087 ( -0.332 -4.494 6.438) 7.858 4.692 ( -0.555 -1.565 -0.608) 1.768 4.910 ( -1.213 -1.665 0.983) 2.282 5.023 ( 6.824 3.725 -2.934) 8.310 5.313 ( -0.117 6.117 -3.735) 7.168 5.605 ( -1.002 -0.364 -1.810) 2.101 6.276 ( 15.458 -12.091 8.609) 21.431 7.226 ( -27.689 5.178 -11.858) 30.563 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.711 4.265 -2.153) 6.050 3.108 ( 3.555 11.852 0.968) 12.411 3.305 ( 3.355 2.473 0.292) 4.178 4.033 ( 3.077 3.712 -0.984) 4.921 4.091 ( 2.277 -1.182 3.888) 4.658 4.654 ( 0.379 -3.162 -2.435) 4.009 4.850 ( -1.228 -3.102 -1.527) 3.669 5.167 ( 2.634 7.919 0.005) 8.345 5.371 ( 3.183 2.614 -2.622) 4.883 5.600 ( 0.946 1.459 -1.361) 2.208 6.483 ( 17.380 -10.595 10.217) 22.775 6.778 ( -27.968 6.261 -8.244) 29.823 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.752 3.155 -1.637) 4.495 3.220 ( -1.879 8.704 1.859) 9.097 3.350 ( 0.228 0.301 -0.408) 0.556 4.024 ( -5.310 0.538 0.551) 5.365 4.151 ( 1.723 0.989 0.104) 1.989 4.672 ( 5.416 -0.055 -3.902) 6.676 4.816 ( 0.371 -1.190 -0.831) 1.498 5.259 ( -0.649 7.727 1.452) 7.889 5.440 ( 4.875 -1.033 -2.642) 5.640 5.656 ( 3.005 3.547 -1.154) 4.790 6.377 ( -24.292 6.005 -2.705) 25.170 6.701 ( 17.348 -11.736 8.265) 22.517 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 0.612 1.900 -1.722) 2.636 3.236 ( -6.508 5.571 2.425) 8.904 3.310 ( -2.738 -2.361 -1.072) 3.771 3.915 ( -6.808 0.251 1.787) 7.043 4.162 ( -1.129 1.690 -1.419) 2.479 4.752 ( 2.914 1.980 -4.180) 5.467 4.839 ( 2.688 0.499 0.250) 2.745 5.303 ( -1.620 4.075 0.693) 4.440 5.485 ( 3.143 -1.598 -3.371) 4.878 5.727 ( 0.506 3.523 -2.926) 4.608 6.100 ( -14.009 5.694 4.286) 15.718 6.885 ( 16.692 -13.556 3.870) 21.849 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -2.470 1.075 -2.336) 3.566 3.054 ( -14.756 -4.508 0.893) 15.455 3.280 ( -2.208 2.820 0.683) 3.646 3.863 ( -2.288 2.796 4.080) 5.450 4.145 ( -1.802 1.550 -2.823) 3.690 4.778 ( -0.460 2.371 -2.257) 3.305 4.868 ( -1.377 0.540 1.178) 1.891 5.270 ( -2.507 -3.237 -4.251) 5.902 5.488 ( -0.912 1.019 -2.996) 3.294 5.690 ( -5.208 2.201 0.600) 5.686 6.097 ( 2.318 6.513 5.534) 8.855 7.019 ( 15.817 -15.340 -2.941) 22.229 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 0.000 5.549 -3.394) 6.505 2.208 ( 0.000 13.029 -0.119) 13.030 3.081 ( 0.000 8.709 -4.658) 9.877 3.654 ( -0.000 7.311 4.298) 8.481 4.313 ( -0.000 -7.299 10.290) 12.616 4.521 ( 0.000 0.662 -3.155) 3.224 4.685 ( -0.000 9.786 4.305) 10.691 4.990 ( -0.000 -4.069 3.179) 5.163 5.343 ( 0.000 6.306 -4.669) 7.846 5.559 ( 0.000 2.828 -0.324) 2.846 6.087 ( -0.000 -22.140 -5.563) 22.828 8.054 ( 0.000 0.795 -13.993) 14.015 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.684 4.534 -3.493) 5.764 2.406 ( 10.242 10.487 -0.582) 14.670 3.140 ( 0.749 5.293 -2.036) 5.720 3.770 ( 2.805 7.752 3.886) 9.114 4.191 ( -5.647 -8.768 8.515) 13.464 4.607 ( 8.105 -2.356 -0.883) 8.487 4.797 ( 1.371 9.258 1.183) 9.433 4.960 ( -0.855 -3.022 2.278) 3.880 5.376 ( -1.912 6.997 -3.538) 8.070 5.603 ( 1.785 2.018 -0.716) 2.788 5.916 ( 4.648 -15.981 -3.430) 16.994 7.919 ( -11.644 2.226 -14.114) 18.432 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 2.126 4.211 -2.000) 5.124 2.723 ( 15.973 8.766 -1.053) 18.251 3.200 ( 2.244 2.899 0.180) 3.671 3.904 ( 3.044 6.638 2.281) 7.651 4.074 ( -1.847 -6.620 6.870) 9.718 4.668 ( 2.266 -3.305 0.204) 4.012 4.878 ( 1.597 -3.658 -2.196) 4.555 4.973 ( 2.801 7.932 1.496) 8.544 5.395 ( -2.308 6.584 -2.298) 7.346 5.610 ( -0.820 -0.442 -2.105) 2.302 5.948 ( 13.088 -9.298 2.425) 16.236 7.631 ( -20.346 4.040 -12.901) 24.427 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 3.188 3.870 -0.442) 5.033 3.050 ( 13.530 6.750 -1.944) 15.245 3.272 ( 3.364 1.546 1.592) 4.030 3.985 ( 3.129 -0.588 1.197) 3.401 4.078 ( 2.082 1.218 4.332) 4.958 4.639 ( -1.548 -2.394 0.083) 2.852 4.838 ( -0.970 -2.303 -0.714) 2.599 5.134 ( 6.888 5.656 -0.884) 8.956 5.408 ( -2.279 4.844 -0.695) 5.398 5.596 ( 0.328 0.753 -0.879) 1.203 6.128 ( 16.283 -8.482 4.067) 18.805 7.252 ( -25.303 5.350 -9.978) 27.720 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 3.035 3.022 0.249) 4.290 3.253 ( 5.464 3.820 -1.212) 6.776 3.335 ( 1.967 -0.186 1.050) 2.237 4.047 ( 4.887 -2.845 -1.659) 5.893 4.124 ( 0.219 1.603 2.885) 3.308 4.618 ( 0.630 1.491 0.825) 1.817 4.809 ( -0.614 -0.137 -0.124) 0.641 5.289 ( 6.221 4.468 -1.176) 7.749 5.401 ( -2.386 1.617 0.650) 2.954 5.637 ( 2.556 2.493 0.614) 3.623 6.328 ( 16.612 -9.968 2.369) 19.517 6.844 ( -26.163 5.464 -5.261) 27.241 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.713 1.895 0.001) 2.555 3.314 ( -2.106 -3.555 0.397) 4.151 3.327 ( 0.558 1.533 -0.410) 1.682 4.019 ( -3.098 -2.183 -0.079) 3.791 4.163 ( 1.243 0.432 0.152) 1.324 4.699 ( 4.411 4.325 -0.354) 6.188 4.820 ( 1.001 1.716 0.331) 2.013 5.358 ( -2.662 -2.684 0.646) 3.834 5.416 ( 4.331 4.282 -0.914) 6.159 5.716 ( 2.940 2.793 0.260) 4.064 6.456 ( -10.077 -2.444 -0.010) 10.369 6.515 ( 3.403 -4.308 -0.020) 5.490 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -0.338 1.212 -0.898) 1.546 3.166 ( -7.723 -9.027 -0.105) 11.880 3.345 ( -0.925 2.435 0.502) 2.653 3.965 ( -3.399 2.555 2.859) 5.124 4.156 ( -0.739 -1.672 -1.196) 2.185 4.794 ( 1.656 4.367 -1.724) 4.979 4.872 ( 2.068 2.332 0.383) 3.141 5.258 ( -3.807 -7.102 -1.451) 8.188 5.499 ( 1.246 3.379 -1.117) 3.770 5.751 ( -1.114 0.603 -2.164) 2.508 6.252 ( -9.996 4.288 10.252) 14.947 6.619 ( 13.497 -11.111 -7.235) 18.920 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 3.701 -2.461) 4.444 2.396 ( 0.000 7.247 -0.836) 7.295 3.163 ( 0.000 2.081 -0.512) 2.143 3.839 ( -0.000 7.492 4.385) 8.682 4.178 ( -0.000 -12.667 10.480) 16.440 4.502 ( 0.000 -0.200 -2.962) 2.968 4.846 ( 0.000 2.184 -0.031) 2.184 4.988 ( -0.000 4.157 3.174) 5.230 5.449 ( 0.000 6.332 -1.607) 6.532 5.599 ( 0.000 2.153 -1.905) 2.875 5.732 ( 0.000 -10.769 -4.697) 11.748 7.988 ( 0.000 2.695 -14.491) 14.740 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 1.118 3.664 -0.177) 3.835 2.548 ( 11.053 5.129 -0.922) 12.220 3.186 ( 1.474 0.463 1.123) 1.910 3.930 ( 1.891 4.778 2.715) 5.812 4.065 ( -2.691 -9.078 7.697) 12.202 4.554 ( 6.066 -1.626 -0.814) 6.333 4.850 ( -0.172 -0.375 0.251) 0.483 5.034 ( -0.857 5.327 0.912) 5.472 5.483 ( -1.842 5.223 -0.608) 5.571 5.610 ( -0.463 -0.152 -2.183) 2.237 5.706 ( 7.751 -4.260 -1.758) 9.018 7.880 ( -10.498 3.963 -13.854) 17.828 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 2.209 3.497 1.736) 4.485 2.824 ( 16.690 3.167 -2.031) 17.109 3.234 ( 3.022 0.411 2.392) 3.876 3.951 ( -0.713 -4.075 2.953) 5.083 4.047 ( 3.478 -0.601 2.569) 4.366 4.623 ( 2.799 -0.594 1.525) 3.242 4.842 ( -0.860 0.252 0.866) 1.246 5.089 ( 3.078 3.346 -0.848) 4.625 5.492 ( -2.261 3.904 0.552) 4.545 5.599 ( -0.152 0.916 -0.420) 1.019 5.835 ( 11.825 -3.957 -0.636) 12.486 7.633 ( -18.682 5.128 -11.779) 22.673 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.626 2.515 2.399) 4.357 3.100 ( 14.118 0.613 -3.203) 14.490 3.295 ( 2.641 -0.743 2.436) 3.669 3.930 ( 2.700 -4.341 -0.024) 5.113 4.101 ( 3.447 -1.941 1.372) 4.187 4.657 ( -0.256 2.704 3.756) 4.636 4.834 ( -1.381 1.512 0.862) 2.222 5.197 ( 6.942 1.607 -0.969) 7.191 5.481 ( -3.189 2.009 2.209) 4.369 5.627 ( 1.574 2.101 1.597) 3.073 5.999 ( 13.431 -5.355 -2.047) 14.603 7.292 ( -23.704 5.369 -8.023) 25.595 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 2.222 1.120 1.952) 3.163 3.259 ( 6.498 -3.563 -1.998) 7.675 3.300 ( 0.247 -2.641 0.781) 2.765 3.942 ( 4.302 -4.765 -3.377) 7.254 4.144 ( 2.472 -0.731 2.001) 3.264 4.709 ( 1.066 4.098 4.041) 5.853 4.839 ( -0.470 2.631 0.375) 2.699 5.308 ( 4.288 -1.291 -0.162) 4.481 5.452 ( -2.133 1.760 2.822) 3.951 5.695 ( 2.979 1.572 3.165) 4.622 6.153 ( 12.843 -5.991 -5.535) 15.214 6.916 ( -24.321 4.908 -2.008) 24.892 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.000 3.742 2.311) 4.398 2.487 ( 0.000 2.755 -0.169) 2.760 3.178 ( -0.000 -0.094 2.268) 2.270 3.947 ( -0.000 0.749 0.831) 1.118 4.029 ( -0.000 -8.675 7.651) 11.567 4.495 ( 0.000 1.428 -0.673) 1.579 4.855 ( -0.000 0.187 1.342) 1.355 5.082 ( 0.000 2.114 -0.325) 2.139 5.540 ( 0.000 1.968 0.749) 2.106 5.610 ( 0.000 0.899 -0.997) 1.342 5.613 ( 0.000 1.184 -3.212) 3.423 7.960 ( 0.000 4.818 -14.077) 14.879 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 0.829 3.386 4.023) 5.323 2.598 ( 10.877 0.642 -0.512) 10.908 3.207 ( 1.793 1.052 3.153) 3.777 3.936 ( -0.570 -4.468 1.017) 4.617 3.985 ( 1.389 -4.241 3.606) 5.738 4.562 ( 4.836 2.046 1.271) 5.403 4.865 ( -0.156 1.103 1.888) 2.192 5.077 ( -0.061 -1.270 -1.303) 1.820 5.543 ( -0.617 0.898 0.276) 1.124 5.622 ( -0.103 1.975 -0.595) 2.066 5.675 ( 4.894 2.150 -0.480) 5.367 7.880 ( -9.815 5.791 -13.117) 17.376 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 1.397 1.743 4.264) 4.813 2.818 ( 15.867 -2.494 -2.230) 16.216 3.263 ( 1.833 0.544 3.103) 3.644 3.879 ( -0.618 -4.223 0.068) 4.268 4.008 ( 4.291 -3.492 2.142) 5.933 4.666 ( 3.491 2.218 2.825) 5.008 4.879 ( -0.972 1.851 1.394) 2.513 5.087 ( 5.317 -2.599 -0.404) 5.932 5.536 ( -1.194 -0.546 2.229) 2.587 5.638 ( 0.219 1.398 -0.111) 1.419 5.799 ( 7.197 3.024 -0.855) 7.854 7.662 ( -17.828 6.038 -10.606) 21.605 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 1.850 -0.389 3.482) 3.962 3.019 ( 13.929 -7.509 -3.183) 16.141 3.276 ( -0.136 -2.370 1.539) 2.829 3.847 ( 1.274 -2.381 -2.341) 3.574 4.075 ( 5.167 -1.504 3.388) 6.359 4.731 ( 1.372 1.368 3.209) 3.749 4.872 ( -0.894 0.342 -0.193) 0.976 5.203 ( 8.099 -0.238 2.054) 8.359 5.504 ( -2.216 -2.118 3.963) 5.010 5.657 ( 2.282 -1.292 -0.282) 2.638 5.956 ( 7.293 4.877 -2.252) 9.058 7.347 ( -22.571 5.556 -5.856) 23.971 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -0.000 2.584 5.403) 5.989 2.500 ( -0.000 -1.691 0.320) 1.721 3.225 ( -0.000 3.015 3.748) 4.810 3.878 ( -0.000 -6.524 -1.707) 6.744 3.960 ( -0.000 -3.130 5.351) 6.199 4.543 ( -0.000 2.642 1.087) 2.857 4.883 ( -0.000 1.346 1.893) 2.323 5.036 ( -0.000 -6.193 -1.890) 6.475 5.551 ( 0.000 0.516 -0.199) 0.553 5.602 ( 0.000 0.226 -3.628) 3.635 5.718 ( -0.000 7.302 4.700) 8.684 7.975 ( 0.000 6.663 -13.568) 15.115 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.056 -0.022 5.154) 5.155 2.556 ( 9.744 -5.065 -0.664) 11.002 3.274 ( 0.145 2.716 3.680) 4.576 3.821 ( 1.738 -6.369 -1.395) 6.748 3.957 ( 0.135 -0.770 4.543) 4.609 4.617 ( 4.899 1.924 1.385) 5.442 4.900 ( -0.270 -0.228 -0.107) 0.369 4.972 ( 2.751 -7.011 0.120) 7.532 5.541 ( -0.883 -1.290 0.263) 1.585 5.613 ( 1.888 -0.174 -2.496) 3.135 5.824 ( 0.775 10.297 4.966) 11.458 7.914 ( -9.545 6.940 -12.672) 17.316 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 0.864 -3.129 4.018) 5.166 2.682 ( 13.773 -10.335 -2.576) 17.411 3.278 ( -1.697 -1.645 2.424) 3.385 3.811 ( 1.674 -1.059 -1.741) 2.637 3.996 ( 3.601 -0.539 5.187) 6.337 4.707 ( 3.317 -0.239 1.312) 3.575 4.847 ( 0.394 -6.257 -2.221) 6.651 5.059 ( 9.154 0.500 2.930) 9.624 5.504 ( -0.926 -3.583 1.403) 3.958 5.620 ( 0.304 -1.192 -1.422) 1.880 5.976 ( 2.130 12.635 3.912) 13.397 7.713 ( -17.211 6.463 -9.630) 20.754 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.000 -3.547 4.661) 5.857 2.409 ( -0.000 -8.277 -0.417) 8.288 3.322 ( -0.000 3.054 3.940) 4.985 3.728 ( -0.000 -7.081 -0.045) 7.081 3.986 ( -0.000 2.144 3.966) 4.509 4.585 ( -0.000 0.762 0.557) 0.944 4.827 ( -0.000 -12.048 -2.686) 12.343 4.931 ( -0.000 1.228 2.153) 2.478 5.550 ( -0.000 -1.397 1.290) 1.902 5.575 ( 0.000 -0.587 -2.825) 2.886 5.955 ( -0.000 13.623 5.904) 14.847 8.017 ( 0.000 7.383 -13.732) 15.591 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 0.163 -7.364 3.435) 8.127 2.377 ( 7.992 -12.956 -1.711) 15.319 3.314 ( -3.384 -2.310 2.988) 5.071 3.728 ( 5.547 -2.597 0.952) 6.199 4.008 ( -1.452 2.108 3.703) 4.502 4.630 ( 3.881 -2.030 -0.700) 4.435 4.726 ( 3.118 -10.071 -0.829) 10.575 4.974 ( 3.197 1.746 1.611) 3.983 5.502 ( -2.134 -2.711 0.556) 3.495 5.591 ( 1.809 -1.434 -0.111) 2.311 6.120 ( -0.022 16.599 5.400) 17.455 7.961 ( -9.249 7.079 -12.901) 17.380 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -0.000 -11.710 2.345) 11.943 2.164 ( -0.000 -16.345 -1.688) 16.432 3.322 ( -0.000 -7.542 1.746) 7.741 3.641 ( -0.000 -2.886 3.497) 4.534 4.065 ( -0.000 3.050 1.418) 3.364 4.576 ( 0.000 -1.576 -0.850) 1.791 4.592 ( -0.000 -9.402 1.355) 9.499 4.975 ( -0.000 1.988 1.389) 2.426 5.507 ( -0.000 -4.537 2.173) 5.030 5.546 ( 0.000 -1.010 -0.827) 1.305 6.317 ( 0.000 19.840 5.158) 20.499 8.058 ( 0.000 7.131 -14.774) 16.405 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.000 0.000 18.369) 18.369 0.654 ( -0.000 0.000 18.369) 18.369 1.150 ( -0.000 0.000 33.603) 33.603 3.694 ( 0.000 -0.000 -9.406) 9.406 3.694 ( 0.000 -0.000 -9.406) 9.406 4.347 ( -0.000 0.000 5.250) 5.250 4.347 ( -0.000 0.000 5.250) 5.250 4.850 ( 0.000 -0.000 -8.590) 8.590 5.537 ( -0.000 0.000 1.612) 1.612 5.537 ( 0.000 0.000 1.612) 1.612 7.115 ( -0.000 0.000 1.044) 1.044 9.372 ( -0.000 0.000 0.671) 0.671 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 9.892 5.711 17.773) 21.127 0.848 ( 9.828 5.674 14.457) 18.379 1.416 ( 13.818 7.978 21.958) 27.143 3.683 ( 4.372 2.524 -7.537) 9.072 3.732 ( 3.382 1.953 -9.283) 10.071 4.313 ( -2.240 -1.293 5.100) 5.718 4.553 ( 13.108 7.568 2.552) 15.350 4.811 ( -0.504 -0.291 -8.966) 8.985 5.478 ( -1.735 -1.002 3.370) 3.921 5.615 ( 2.728 1.575 1.915) 3.686 7.198 ( 4.173 2.409 -6.081) 7.759 9.033 ( -26.388 -15.235 8.401) 31.607 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 9.406 5.430 14.393) 18.031 1.155 ( 13.672 7.893 9.607) 18.480 1.871 ( 21.749 12.557 6.430) 25.924 3.778 ( 3.496 2.019 -8.099) 9.049 3.820 ( 9.020 5.208 -1.840) 10.577 4.287 ( -1.402 -0.809 3.882) 4.206 4.746 ( -0.186 -0.107 -4.445) 4.450 4.911 ( 15.210 8.782 -0.895) 17.586 5.457 ( -2.151 -1.242 4.023) 4.728 5.660 ( 0.707 0.408 1.130) 1.394 7.185 ( -2.763 -1.595 -10.716) 11.181 8.409 ( -31.404 -18.131 8.316) 37.203 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 9.713 5.608 6.275) 12.852 1.503 ( 15.004 8.662 5.811) 18.273 2.380 ( 22.538 13.012 -0.907) 26.041 3.827 ( 2.992 1.727 -5.788) 6.741 4.047 ( 10.529 6.079 4.425) 12.938 4.285 ( 0.385 0.222 1.894) 1.945 4.723 ( 0.345 0.199 -5.260) 5.275 5.245 ( 13.220 7.632 1.399) 15.329 5.395 ( -4.366 -2.521 4.218) 6.574 5.651 ( -1.623 -0.937 0.034) 1.874 7.021 ( -7.779 -4.491 -12.737) 15.586 7.729 ( -31.251 -18.043 4.268) 36.337 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 10.176 5.875 -0.601) 11.766 1.847 ( 14.299 8.255 3.116) 16.802 2.833 ( 18.403 10.625 -3.265) 21.499 3.871 ( 2.374 1.370 -2.896) 3.988 4.296 ( 9.489 5.479 8.183) 13.676 4.318 ( 2.239 1.293 -0.049) 2.586 4.732 ( 1.817 1.049 -3.982) 4.501 5.243 ( -7.655 -4.420 2.447) 9.172 5.525 ( 8.623 4.979 0.783) 9.988 5.595 ( -3.090 -1.784 -0.382) 3.588 6.746 ( -13.810 -7.973 -20.034) 25.606 7.134 ( -20.839 -12.031 9.757) 25.965 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 9.368 5.408 -4.323) 11.649 2.146 ( 11.740 6.778 1.364) 13.625 3.152 ( 11.278 6.511 -3.835) 13.575 3.913 ( 1.856 1.072 -0.337) 2.170 4.377 ( 3.131 1.808 -1.238) 3.821 4.492 ( 4.179 2.413 7.127) 8.607 4.772 ( 2.871 1.658 -1.247) 3.542 5.081 ( -6.336 -3.658 1.213) 7.416 5.525 ( -2.989 -1.725 0.528) 3.491 5.636 ( 1.350 0.779 -1.282) 2.018 6.268 ( -17.850 -10.305 -26.017) 33.192 6.957 ( -2.355 -1.359 18.862) 19.057 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 7.407 4.276 -5.520) 10.179 2.367 ( 7.790 4.497 0.257) 8.998 3.306 ( 4.263 2.461 -4.794) 6.872 3.943 ( 0.450 0.260 1.418) 1.510 4.443 ( 3.231 1.866 -1.691) 4.097 4.458 ( -7.412 -4.280 0.197) 8.561 4.862 ( 4.037 2.331 1.124) 4.796 5.016 ( 0.001 0.000 0.780) 0.780 5.478 ( -1.514 -0.874 2.513) 3.061 5.588 ( -4.765 -2.751 1.427) 5.684 5.913 ( -4.924 -2.843 -25.160) 25.795 7.070 ( 4.721 2.726 23.794) 24.410 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 4.928 2.845 -5.205) 7.712 2.489 ( 3.189 1.841 -0.305) 3.695 3.332 ( 0.576 0.332 -6.222) 6.257 3.930 ( -2.341 -1.352 1.836) 3.268 4.263 ( -7.805 -4.506 -5.260) 10.435 4.507 ( 2.974 1.717 -1.370) 3.697 4.913 ( 0.824 0.476 -1.148) 1.491 5.037 ( 0.240 0.138 1.982) 2.001 5.477 ( 0.230 0.133 4.345) 4.353 5.515 ( -1.290 -0.745 1.615) 2.197 5.829 ( 2.211 1.277 -16.155) 16.356 7.299 ( 7.757 4.478 25.408) 26.940 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 1.802 1.040 -4.131) 4.625 2.505 ( -1.770 -1.022 -0.116) 2.048 3.326 ( 1.403 0.810 -5.593) 5.823 3.852 ( -4.892 -2.824 0.681) 5.690 4.110 ( -3.657 -2.112 -7.964) 9.014 4.560 ( 1.996 1.152 -0.487) 2.356 4.912 ( -0.599 -0.346 -0.635) 0.939 5.003 ( -4.027 -2.325 1.062) 4.769 5.510 ( 1.021 0.589 4.721) 4.866 5.533 ( 1.711 0.988 1.407) 2.426 5.868 ( 5.508 3.180 -10.208) 12.027 7.572 ( 8.763 5.059 24.061) 26.102 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -3.702 -2.137 -3.114) 5.289 2.403 ( -7.692 -4.441 0.739) 8.913 3.357 ( 2.008 1.160 -2.834) 3.662 3.736 ( -4.969 -2.869 -1.413) 5.909 4.047 ( 0.285 0.164 -7.409) 7.416 4.586 ( 0.311 0.179 0.312) 0.476 4.803 ( -9.538 -5.507 1.736) 11.150 4.953 ( 0.551 0.318 -1.957) 2.058 5.543 ( 0.445 0.257 3.308) 3.348 5.560 ( -0.246 -0.142 -0.568) 0.635 6.020 ( 11.225 6.480 -6.699) 14.590 7.839 ( 8.016 4.628 20.225) 22.243 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.000 9.258 14.489) 17.195 0.945 ( -0.000 12.703 17.400) 21.544 1.509 ( -0.000 15.041 21.102) 25.914 3.576 ( 0.000 -2.390 -7.950) 8.302 3.761 ( 0.000 9.325 -8.188) 12.410 4.425 ( -0.000 2.018 3.295) 3.864 4.428 ( -0.000 5.080 4.126) 6.545 4.782 ( 0.000 -0.075 -9.339) 9.339 5.478 ( -0.000 -3.079 1.519) 3.434 5.575 ( -0.000 -2.537 5.557) 6.109 7.225 ( 0.000 8.732 -5.280) 10.204 9.092 ( -0.000 -24.537 5.699) 25.190 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 8.499 11.387 11.870) 18.514 1.161 ( 4.010 11.299 16.018) 20.008 1.799 ( 8.436 19.403 8.287) 22.722 3.601 ( 7.749 -1.891 -6.268) 10.145 3.845 ( 1.523 10.696 -5.040) 11.922 4.352 ( -4.696 1.119 4.165) 6.376 4.679 ( 11.824 2.112 1.528) 12.108 4.764 ( 3.685 4.098 -8.779) 10.366 5.472 ( 0.486 -1.550 2.626) 3.088 5.581 ( 2.930 -6.049 4.503) 8.091 7.239 ( -4.100 4.208 -7.637) 9.635 8.686 ( -20.405 -23.673 5.791) 31.786 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.870 8.003 11.116) 14.537 1.438 ( 10.027 14.556 7.452) 19.182 2.202 ( 15.568 18.744 -0.809) 24.379 3.713 ( 8.514 -0.524 -6.279) 10.592 3.993 ( 5.433 9.238 2.148) 10.930 4.317 ( -2.192 1.076 3.386) 4.175 4.708 ( 0.154 1.020 -6.249) 6.333 5.051 ( 17.088 5.456 -1.517) 18.002 5.440 ( -3.226 -3.933 3.999) 6.470 5.590 ( 3.526 -5.803 1.799) 7.025 7.116 ( -8.845 -0.541 -7.965) 11.915 8.070 ( -28.830 -20.067 2.649) 35.226 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 6.070 7.297 3.430) 10.093 1.778 ( 10.203 15.814 4.489) 19.348 2.635 ( 17.340 14.323 -3.298) 22.731 3.811 ( 5.334 1.517 -6.251) 8.356 4.187 ( 7.164 2.122 7.294) 10.442 4.343 ( 1.783 5.161 2.850) 6.160 4.716 ( 0.946 3.230 -5.367) 6.335 5.300 ( -0.994 -3.049 0.119) 3.210 5.358 ( 9.106 -3.516 -2.526) 10.083 5.594 ( 0.818 -2.170 2.835) 3.663 6.907 ( -12.106 -0.458 -8.178) 14.617 7.409 ( -27.901 -17.193 1.969) 32.832 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.433 6.634 -1.896) 10.142 2.096 ( 8.237 15.279 2.615) 17.554 3.000 ( 13.836 8.952 -3.502) 16.848 3.883 ( 3.407 2.379 -4.076) 5.821 4.280 ( 4.454 -3.843 3.273) 6.732 4.504 ( 5.372 8.114 6.068) 11.468 4.762 ( 1.529 4.829 -3.463) 6.136 5.140 ( -6.772 -7.591 1.827) 10.335 5.459 ( 6.067 -5.465 -7.689) 11.216 5.611 ( 0.744 1.032 1.014) 1.627 6.557 ( -27.677 2.194 -17.655) 32.902 7.004 ( -3.875 -11.779 16.108) 20.328 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 7.227 5.407 -4.368) 10.027 2.352 ( 4.882 13.354 1.428) 14.290 3.226 ( 7.250 4.178 -3.984) 9.268 3.943 ( 1.867 2.747 -1.266) 3.554 4.305 ( 3.498 -6.932 0.605) 7.788 4.626 ( -3.175 6.701 1.650) 7.596 4.830 ( 2.539 3.764 -0.117) 4.542 5.005 ( -1.249 -4.235 0.585) 4.454 5.455 ( 2.223 -3.662 -1.765) 4.633 5.618 ( 0.323 -0.529 -3.228) 3.287 6.070 ( -23.360 4.284 -17.631) 29.579 7.045 ( 7.046 -4.833 22.381) 23.956 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 5.734 3.860 -5.049) 8.560 2.518 ( 0.716 10.751 0.714) 10.799 3.304 ( 1.539 1.442 -5.166) 5.580 3.974 ( -1.437 2.065 0.776) 2.633 4.241 ( -1.470 -9.571 -2.763) 10.070 4.592 ( -5.582 7.933 -2.735) 10.079 4.891 ( 1.874 0.352 -0.791) 2.064 5.016 ( 2.675 -0.352 1.590) 3.132 5.475 ( 2.103 0.393 2.048) 2.961 5.593 ( -3.177 1.041 0.561) 3.390 5.800 ( -7.043 4.446 -14.738) 16.929 7.245 ( 10.531 -2.339 24.048) 26.357 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 3.561 2.135 -4.798) 6.345 2.586 ( -3.762 8.117 0.563) 8.965 3.303 ( 0.051 1.244 -5.523) 5.661 3.928 ( -5.384 -0.447 0.864) 5.472 4.101 ( -3.015 -5.558 -5.869) 8.627 4.601 ( -1.754 7.140 -2.383) 7.729 4.905 ( 0.702 -0.007 -1.573) 1.722 5.041 ( -1.083 -0.510 1.946) 2.285 5.534 ( 1.697 2.627 1.648) 3.535 5.553 ( -3.426 2.276 3.877) 5.652 5.776 ( 3.640 2.501 -9.957) 10.892 7.497 ( 11.970 -1.826 22.587) 25.628 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -0.233 -0.401 -4.176) 4.202 2.547 ( -9.051 4.925 0.980) 10.351 3.313 ( 1.919 0.755 -3.801) 4.324 3.814 ( -6.209 -1.381 -0.063) 6.361 4.016 ( -0.814 -1.013 -6.560) 6.688 4.630 ( -1.644 5.461 -1.171) 5.823 4.891 ( -3.342 -2.460 1.331) 4.358 4.979 ( -4.417 1.179 -1.049) 4.690 5.533 ( -0.891 -0.774 1.994) 2.317 5.591 ( 0.072 2.649 1.460) 3.025 5.884 ( 8.774 4.971 -6.612) 12.059 7.750 ( 11.953 -2.670 18.613) 22.281 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.000 15.355 9.617) 18.118 1.298 ( -0.000 10.499 16.622) 19.660 1.971 ( 0.000 23.479 3.322) 23.713 3.499 ( 0.000 -0.808 -4.883) 4.949 3.922 ( 0.000 11.235 -3.601) 11.798 4.468 ( -0.000 1.195 0.538) 1.311 4.542 ( -0.000 1.949 5.530) 5.863 4.752 ( 0.000 4.857 -8.717) 9.979 5.451 ( -0.000 -0.948 2.309) 2.496 5.528 ( -0.000 -6.618 6.754) 9.456 7.276 ( 0.000 -0.532 -6.792) 6.813 8.634 ( -0.000 -24.237 1.262) 24.270 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 3.362 12.743 9.947) 16.512 1.471 ( 5.278 12.499 9.677) 16.666 2.238 ( 4.569 23.692 -2.889) 24.301 3.549 ( 7.326 0.143 -3.713) 8.214 4.036 ( 1.846 10.379 0.602) 10.559 4.399 ( -4.904 1.023 3.330) 6.015 4.664 ( 5.069 -0.453 -2.900) 5.858 4.853 ( 9.370 7.395 -3.725) 12.505 5.454 ( -1.880 -4.956 3.995) 6.637 5.496 ( 3.069 -3.205 4.259) 6.150 7.173 ( -4.428 -7.997 -5.274) 10.554 8.272 ( -16.872 -18.638 -3.292) 25.355 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 1.533 7.853 5.489) 9.703 1.800 ( 10.079 18.089 5.174) 21.344 2.550 ( 9.524 18.949 -4.437) 21.667 3.681 ( 8.539 1.257 -5.088) 10.019 4.168 ( 2.347 4.882 6.359) 8.353 4.383 ( -0.162 4.030 3.638) 5.431 4.709 ( 2.012 3.097 -5.118) 6.312 5.090 ( 12.939 2.216 -5.939) 14.409 5.342 ( -4.642 -8.007 3.295) 9.824 5.560 ( 3.369 -0.060 4.667) 5.756 6.973 ( -4.774 -12.651 -1.342) 13.588 7.737 ( -27.025 -11.020 -7.672) 30.177 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 3.768 7.328 0.022) 8.240 2.150 ( 8.041 19.355 3.711) 21.285 2.868 ( 11.713 12.319 -3.381) 17.331 3.803 ( 6.519 2.223 -6.057) 9.173 4.219 ( 0.837 -2.672 6.388) 6.975 4.512 ( 4.961 8.070 5.405) 10.907 4.770 ( 2.393 5.350 -3.959) 7.072 5.178 ( -5.977 -7.771 0.907) 9.845 5.250 ( 8.854 -1.848 -9.209) 12.908 5.616 ( 0.867 0.115 3.544) 3.650 6.819 ( -0.661 -9.703 4.636) 10.774 7.146 ( -29.442 -5.874 -8.417) 31.180 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 5.293 6.415 -2.752) 8.760 2.448 ( 4.095 18.841 2.760) 19.477 3.127 ( 9.052 6.774 -2.745) 11.635 3.906 ( 5.136 3.270 -4.612) 7.638 4.215 ( 1.020 -5.243 3.794) 6.552 4.675 ( 3.748 5.020 3.442) 7.149 4.858 ( 1.764 6.850 -1.845) 7.311 5.006 ( -5.675 -6.008 -0.027) 8.264 5.326 ( 6.845 -1.801 -7.621) 10.401 5.609 ( -1.111 -0.977 -0.636) 1.611 6.543 ( -30.716 6.860 -14.122) 34.495 6.893 ( 9.649 -12.649 18.530) 24.423 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 5.173 5.097 -3.795) 8.194 2.660 ( -0.366 16.793 2.359) 16.962 3.269 ( 3.619 3.289 -3.309) 5.904 3.998 ( 2.482 3.782 -2.168) 5.016 4.171 ( -0.698 -6.315 0.473) 6.372 4.720 ( -2.366 1.940 -2.303) 3.829 4.877 ( -1.883 0.681 -1.461) 2.479 4.976 ( 3.140 2.505 1.582) 4.317 5.413 ( 6.214 1.000 -2.745) 6.866 5.589 ( 0.501 -0.156 -2.132) 2.195 6.109 ( -23.910 8.178 -9.518) 27.003 7.067 ( 13.819 -8.865 20.795) 26.495 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 3.771 3.590 -4.086) 6.618 2.775 ( -4.681 14.287 2.369) 15.220 3.306 ( -0.144 2.139 -3.974) 4.515 4.003 ( -3.706 -1.263 -1.636) 4.244 4.091 ( -2.563 -1.929 -1.546) 3.561 4.689 ( -2.042 4.360 -4.665) 6.704 4.873 ( 1.727 -0.996 -1.584) 2.546 5.056 ( 1.169 3.775 2.306) 4.576 5.515 ( 4.325 2.016 -0.635) 4.814 5.609 ( 1.476 1.428 -1.410) 2.491 5.850 ( -12.987 6.767 -4.111) 15.211 7.298 ( 14.897 -8.297 19.457) 25.871 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 1.290 1.662 -4.126) 4.632 2.792 ( -9.486 11.518 2.571) 15.141 3.298 ( -0.599 1.041 -3.505) 3.705 3.885 ( -4.967 -3.478 -1.004) 6.146 4.036 ( -3.403 1.900 -3.163) 5.020 4.699 ( -0.891 4.528 -3.428) 5.749 4.891 ( 1.194 -0.761 -0.777) 1.615 5.082 ( -3.720 4.497 0.741) 5.884 5.562 ( -0.587 0.253 -2.647) 2.723 5.623 ( -1.398 1.422 2.721) 3.374 5.808 ( 2.355 6.218 -2.924) 7.263 7.525 ( 14.997 -9.425 15.516) 23.547 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 17.965 5.319) 18.735 1.558 ( -0.000 7.065 9.438) 11.789 2.429 ( 0.000 24.411 -5.747) 25.079 3.484 ( 0.000 1.502 -0.748) 1.678 4.126 ( 0.000 10.314 1.828) 10.475 4.485 ( 0.000 1.129 -1.762) 2.092 4.573 ( -0.000 -0.936 4.725) 4.817 4.860 ( 0.000 9.132 -2.707) 9.525 5.424 ( -0.000 -8.028 4.407) 9.158 5.470 ( -0.000 0.949 2.571) 2.740 7.065 ( -0.000 -18.025 -3.996) 18.463 8.236 ( 0.000 -13.139 -9.124) 15.996 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.403 6.640 4.005) 7.765 1.822 ( 8.599 17.635 3.609) 19.948 2.642 ( 1.818 21.002 -5.747) 21.850 3.560 ( 5.933 2.666 -0.351) 6.514 4.230 ( -0.255 6.833 4.976) 8.457 4.450 ( -2.128 3.010 2.530) 4.471 4.650 ( 5.261 0.581 -1.395) 5.474 4.976 ( 4.537 7.029 -1.268) 8.462 5.338 ( -2.613 -7.693 2.195) 8.416 5.521 ( 3.267 1.262 3.290) 4.805 6.833 ( -1.031 -23.856 -2.026) 23.964 7.976 ( -14.803 -6.092 -13.178) 20.734 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 1.077 6.511 -0.287) 6.605 2.180 ( 11.703 17.974 2.705) 21.618 2.854 ( 4.615 15.366 -3.361) 16.393 3.695 ( 6.767 3.142 -2.283) 7.802 4.240 ( -2.770 -1.623 6.212) 6.992 4.543 ( 3.156 8.787 4.961) 10.572 4.737 ( 4.865 2.411 -3.230) 6.317 5.100 ( 5.375 2.104 -3.909) 6.971 5.211 ( -4.933 -5.412 -0.477) 7.338 5.602 ( 2.743 0.611 3.389) 4.403 6.621 ( 4.156 -22.905 3.789) 23.585 7.562 ( -24.926 0.144 -15.230) 29.211 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 3.150 6.311 -2.086) 7.355 2.542 ( 8.958 18.472 2.229) 20.650 3.061 ( 6.591 9.561 -1.520) 11.711 3.822 ( 6.064 3.634 -3.376) 7.834 4.193 ( -1.489 -4.142 5.323) 6.907 4.674 ( 2.060 4.154 2.518) 5.276 4.852 ( 5.123 5.292 -0.071) 7.366 5.059 ( -4.661 -5.463 -1.844) 7.414 5.195 ( 4.302 3.291 -5.890) 8.001 5.617 ( -0.976 -1.228 0.098) 1.571 6.601 ( 12.986 -17.099 12.251) 24.721 7.073 ( -29.616 4.955 -14.793) 33.474 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.143 5.652 -2.468) 7.430 2.826 ( 3.019 17.620 2.333) 18.028 3.228 ( 4.982 5.261 -1.296) 7.360 3.948 ( 5.749 4.146 -3.090) 7.732 4.149 ( -1.060 -3.655 3.065) 4.886 4.704 ( 0.677 -2.137 -1.041) 2.472 4.912 ( -2.625 -3.728 -0.563) 4.595 5.007 ( 0.914 8.560 -0.278) 8.614 5.300 ( 6.702 2.908 -3.738) 8.206 5.584 ( -0.705 -0.481 -1.025) 1.334 6.600 ( -28.513 8.015 -11.312) 31.704 6.765 ( 17.011 -13.426 15.875) 26.863 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 3.568 4.618 -2.588) 6.384 2.996 ( -2.401 15.166 2.959) 15.638 3.312 ( 1.225 3.002 -1.961) 3.789 4.020 ( -0.925 0.002 -2.027) 2.228 4.123 ( -0.509 1.149 0.357) 1.306 4.682 ( 1.506 -2.094 -3.893) 4.670 4.845 ( -0.754 -1.882 -1.371) 2.447 5.108 ( 0.519 8.109 1.734) 8.308 5.426 ( 6.563 1.370 -2.417) 7.127 5.594 ( 1.399 1.970 -0.880) 2.572 6.221 ( -22.806 8.478 -5.327) 24.907 6.985 ( 17.507 -12.925 15.008) 26.434 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.749 3.195 -2.931) 4.675 3.064 ( -6.674 12.553 3.512) 14.645 3.320 ( -1.626 1.162 -2.380) 3.108 3.934 ( -5.553 -1.989 -0.815) 5.954 4.114 ( -3.109 2.440 -1.045) 4.088 4.704 ( 2.422 1.528 -5.054) 5.810 4.843 ( 2.337 -0.836 -0.888) 2.636 5.184 ( -1.315 7.178 1.579) 7.466 5.509 ( 4.059 -1.183 -3.058) 5.219 5.646 ( 1.408 3.359 -1.996) 4.153 5.980 ( -13.808 7.516 1.286) 15.773 7.189 ( 17.011 -14.303 11.464) 25.007 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 5.321 0.486) 5.343 1.919 ( 0.000 16.765 1.531) 16.835 2.803 ( 0.000 18.333 -5.701) 19.199 3.553 ( -0.000 4.745 3.493) 5.892 4.329 ( -0.000 7.406 5.575) 9.269 4.490 ( 0.000 1.229 -3.183) 3.412 4.608 ( -0.000 1.195 5.884) 6.005 5.016 ( -0.000 5.528 3.432) 6.507 5.298 ( -0.000 -5.358 -0.713) 5.406 5.514 ( -0.000 1.830 1.501) 2.367 6.572 ( -0.000 -28.179 -3.711) 28.422 8.005 ( 0.000 -2.586 -16.311) 16.515 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.236 5.261 -2.050) 5.651 2.156 ( 9.392 15.140 0.450) 17.823 2.949 ( 0.914 13.955 -3.115) 14.328 3.651 ( 3.450 5.794 3.422) 7.562 4.318 ( -5.958 -1.489 5.239) 8.072 4.582 ( 6.493 7.651 0.676) 10.057 4.666 ( 2.081 1.590 2.741) 3.791 5.059 ( 0.565 -2.339 3.984) 4.654 5.246 ( -2.434 1.852 -3.557) 4.691 5.568 ( 3.214 1.514 1.555) 3.878 6.316 ( 3.482 -25.989 -1.968) 26.295 7.826 ( -12.843 0.828 -17.677) 21.866 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.750 5.552 -2.221) 6.231 2.500 ( 14.172 13.982 -0.079) 19.908 3.083 ( 2.436 9.588 -0.640) 9.913 3.781 ( 3.856 6.200 1.813) 7.523 4.214 ( -4.054 -4.883 5.182) 8.193 4.704 ( -0.135 1.403 1.544) 2.091 4.795 ( 8.669 7.649 0.784) 11.588 5.007 ( -0.834 -7.724 -0.151) 7.770 5.242 ( -2.390 7.534 -3.161) 8.513 5.613 ( 0.409 -0.573 -0.339) 0.781 6.234 ( 12.786 -19.140 5.281) 23.616 7.495 ( -21.813 4.148 -17.130) 28.043 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.150 5.530 -1.315) 6.499 2.857 ( 12.031 12.964 -0.428) 17.692 3.208 ( 3.629 5.848 0.498) 6.900 3.908 ( 3.812 6.170 0.488) 7.269 4.142 ( -1.078 -4.227 3.925) 5.868 4.690 ( -1.480 -2.017 0.098) 2.504 4.910 ( -2.176 -4.860 -0.500) 5.348 5.007 ( 7.510 6.424 -0.444) 9.892 5.282 ( -0.226 7.221 -1.980) 7.491 5.589 ( -0.879 -0.713 -1.293) 1.718 6.374 ( 18.398 -14.589 10.012) 25.526 7.089 ( -26.035 6.864 -14.267) 30.471 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 3.314 4.956 -0.775) 6.012 3.115 ( 5.036 10.706 0.349) 11.837 3.307 ( 2.525 3.212 0.095) 4.086 4.025 ( 3.059 4.570 -0.361) 5.511 4.121 ( 0.324 -1.080 1.515) 1.889 4.635 ( -0.912 -2.955 -0.934) 3.230 4.838 ( -1.465 -2.861 -0.626) 3.275 5.168 ( 3.681 7.490 0.104) 8.346 5.352 ( 2.571 3.461 -1.014) 4.429 5.590 ( 1.052 1.792 -0.428) 2.122 6.587 ( 18.735 -14.179 9.685) 25.413 6.687 ( -25.219 7.906 -9.024) 27.927 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 2.095 3.848 -1.053) 4.506 3.238 ( -0.717 7.698 1.586) 7.893 3.344 ( -0.465 0.876 -0.754) 1.245 4.032 ( -5.364 1.513 1.093) 5.680 4.146 ( 1.223 0.813 -1.245) 1.925 4.636 ( 3.438 0.845 -2.739) 4.476 4.810 ( 0.521 -0.671 -0.324) 0.910 5.275 ( -0.016 7.655 1.504) 7.801 5.415 ( 4.060 -1.026 -1.951) 4.620 5.645 ( 2.012 3.683 -0.941) 4.301 6.352 ( -21.006 7.786 -2.197) 22.510 6.781 ( 17.965 -16.109 6.856) 25.085 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 4.797 -2.958) 5.636 2.203 ( 0.000 12.446 -0.761) 12.470 3.049 ( 0.000 9.994 -1.465) 10.101 3.707 ( -0.000 7.483 5.760) 9.443 4.416 ( -0.000 -5.072 9.235) 10.536 4.485 ( 0.000 0.734 -3.748) 3.819 4.729 ( -0.000 7.485 3.823) 8.405 5.034 ( -0.000 -5.873 5.187) 7.836 5.304 ( 0.000 7.176 -2.234) 7.515 5.554 ( 0.000 1.871 -0.570) 1.956 6.032 ( -0.000 -22.690 -4.768) 23.186 7.880 ( 0.000 1.923 -19.066) 19.163 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.923 5.061 -1.814) 5.455 2.397 ( 10.303 10.204 -1.129) 14.545 3.132 ( 1.000 6.236 0.561) 6.341 3.817 ( 1.831 7.528 4.878) 9.155 4.269 ( -6.990 -7.300 5.902) 11.704 4.604 ( 9.279 -2.915 0.434) 9.736 4.810 ( 0.525 6.577 1.350) 6.735 4.985 ( -1.953 -2.833 2.423) 4.208 5.350 ( -2.366 7.758 -0.904) 8.160 5.593 ( 1.778 0.838 -1.145) 2.275 5.889 ( 7.910 -15.961 -1.468) 17.874 7.745 ( -11.082 3.820 -18.976) 22.305 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 2.188 5.262 0.119) 5.700 2.707 ( 15.804 8.325 -1.887) 17.962 3.210 ( 2.361 3.600 1.806) 4.669 3.933 ( 2.029 6.216 3.208) 7.283 4.136 ( -2.651 -6.309 4.573) 8.230 4.677 ( 2.385 -3.619 1.381) 4.549 4.863 ( 1.329 -2.236 -0.625) 2.676 4.985 ( 1.745 6.170 0.705) 6.451 5.379 ( -2.377 7.441 -0.492) 7.827 5.590 ( -0.566 -0.407 -1.633) 1.775 5.980 ( 15.932 -11.144 3.794) 19.809 7.474 ( -18.977 5.943 -16.975) 26.146 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 2.806 4.837 1.221) 5.724 3.026 ( 13.938 6.009 -2.680) 15.413 3.291 ( 2.955 2.138 1.982) 4.151 4.000 ( 1.805 -0.381 1.660) 2.482 4.113 ( 1.620 0.009 2.271) 2.790 4.650 ( -2.135 -1.284 2.135) 3.281 4.836 ( -1.099 -1.711 0.370) 2.067 5.123 ( 6.672 5.124 -1.206) 8.499 5.408 ( -2.198 5.876 0.875) 6.334 5.591 ( 0.763 1.618 -0.084) 1.791 6.171 ( 17.814 -11.964 4.308) 21.887 7.131 ( -23.020 7.340 -12.912) 27.395 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 5.140 0.015) 5.140 2.387 ( 0.000 7.512 -0.880) 7.563 3.171 ( -0.000 2.833 2.160) 3.563 3.884 ( -0.000 6.057 4.205) 7.373 4.288 ( -0.000 -13.498 10.072) 16.842 4.471 ( 0.000 0.621 -2.784) 2.853 4.851 ( -0.000 1.831 0.975) 2.075 5.016 ( -0.000 2.767 1.969) 3.396 5.451 ( 0.000 6.947 2.547) 7.399 5.574 ( 0.000 1.494 -2.806) 3.179 5.686 ( 0.000 -9.990 -4.008) 10.764 7.808 ( 0.000 4.609 -19.743) 20.274 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.042 5.229 2.197) 5.766 2.537 ( 10.501 5.385 -1.031) 11.846 3.209 ( 1.436 1.000 3.259) 3.700 3.957 ( 1.846 2.999 2.170) 4.136 4.142 ( -4.350 -9.440 6.752) 12.395 4.552 ( 7.296 -1.319 0.523) 7.433 4.860 ( -0.469 0.303 1.453) 1.557 5.038 ( -1.243 3.953 -0.176) 4.147 5.485 ( -2.470 5.457 0.852) 6.050 5.591 ( -0.194 0.661 -1.144) 1.335 5.690 ( 9.695 -4.768 -1.025) 10.853 7.707 ( -9.690 6.081 -18.908) 22.100 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 1.786 4.587 3.261) 5.904 2.800 ( 15.739 3.142 -2.439) 16.233 3.266 ( 2.771 0.741 3.546) 4.560 3.980 ( -0.677 -4.051 2.581) 4.851 4.072 ( 2.179 -2.677 2.116) 4.049 4.648 ( 3.655 0.083 3.229) 4.878 4.856 ( -1.321 0.832 1.614) 2.246 5.076 ( 2.904 3.050 -1.570) 4.494 5.503 ( -1.795 4.648 1.341) 5.160 5.598 ( 0.179 1.967 0.473) 2.031 5.831 ( 12.663 -6.058 0.155) 14.039 7.485 ( -16.926 7.297 -16.204) 24.542 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -0.000 5.176 4.224) 6.681 2.486 ( 0.000 3.141 -0.022) 3.141 3.213 ( -0.000 0.149 4.378) 4.380 3.951 ( -0.000 -1.115 -0.089) 1.118 4.114 ( -0.000 -10.151 8.268) 13.092 4.491 ( 0.000 2.666 0.008) 2.666 4.873 ( -0.000 0.447 2.102) 2.149 5.074 ( 0.000 1.153 -1.221) 1.679 5.545 ( 0.000 -0.719 -0.317) 0.785 5.573 ( 0.000 1.072 -4.332) 4.463 5.619 ( -0.000 4.968 3.578) 6.123 7.783 ( 0.000 7.057 -19.542) 20.778 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.450 4.159 4.869) 6.420 2.592 ( 9.933 0.800 -0.607) 9.983 3.249 ( 1.613 0.973 4.668) 5.034 3.936 ( 1.325 -4.968 -0.580) 5.175 4.038 ( -1.391 -5.575 5.953) 8.274 4.578 ( 5.782 2.334 1.897) 6.517 4.886 ( -0.199 1.024 2.067) 2.315 5.061 ( 0.045 -1.421 -1.743) 2.249 5.542 ( 0.322 1.243 -0.360) 1.333 5.597 ( 2.723 -0.080 -3.804) 4.679 5.698 ( 1.714 4.851 5.013) 7.183 7.713 ( -8.821 8.021 -18.523) 22.029 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -0.000 2.681 5.182) 5.835 2.503 ( -0.000 -1.779 0.236) 1.794 3.270 ( -0.000 2.616 4.942) 5.591 3.862 ( -0.000 -6.429 -1.282) 6.556 4.028 ( -0.000 -4.343 7.398) 8.579 4.553 ( 0.000 2.685 0.826) 2.809 4.901 ( -0.000 0.730 1.516) 1.682 5.017 ( -0.000 -5.972 -1.686) 6.205 5.545 ( 0.000 1.310 -0.929) 1.606 5.559 ( 0.000 0.751 -4.552) 4.613 5.779 ( -0.000 7.503 7.068) 10.308 7.801 ( 0.000 8.812 -19.479) 21.380 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -0.000 0.000 15.488) 15.488 0.832 ( -0.000 0.000 15.488) 15.488 1.482 ( -0.000 0.000 29.579) 29.579 3.598 ( 0.000 -0.000 -8.856) 8.856 3.598 ( 0.000 -0.000 -8.856) 8.856 4.397 ( -0.000 0.000 4.353) 4.353 4.397 ( -0.000 0.000 4.353) 4.353 4.753 ( 0.000 -0.000 -9.806) 9.806 5.555 ( -0.000 0.000 1.668) 1.668 5.555 ( 0.000 0.000 1.668) 1.668 7.126 ( -0.000 0.000 1.041) 1.041 9.379 ( -0.000 0.000 0.700) 0.700 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 8.012 4.626 12.256) 15.356 1.024 ( 10.785 6.227 16.205) 20.437 1.633 ( 5.842 3.373 19.183) 20.334 3.615 ( 6.337 3.659 -5.368) 9.076 3.634 ( 3.494 2.017 -9.158) 10.007 4.364 ( -2.349 -1.356 4.587) 5.329 4.577 ( 12.501 7.217 1.740) 14.539 4.713 ( -0.479 -0.276 -9.535) 9.551 5.510 ( -1.135 -0.655 2.882) 3.166 5.629 ( 2.522 1.456 0.739) 3.005 7.155 ( 0.823 0.475 -2.566) 2.737 9.099 ( -23.433 -13.529 4.597) 27.445 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 11.967 6.909 8.220) 16.079 1.288 ( 6.326 3.653 17.349) 18.824 1.918 ( 17.086 9.864 2.398) 19.874 3.688 ( 4.150 2.396 -8.886) 10.096 3.816 ( 11.671 6.738 1.059) 13.518 4.330 ( -1.967 -1.136 4.169) 4.748 4.673 ( -0.122 -0.071 -8.469) 8.470 4.909 ( 16.073 9.280 -0.473) 18.565 5.495 ( -1.919 -1.108 3.501) 4.143 5.662 ( 0.411 0.237 -0.644) 0.800 7.100 ( -4.644 -2.681 -5.582) 7.741 8.483 ( -32.089 -18.527 5.946) 37.528 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 5.096 2.942 9.473) 11.152 1.561 ( 13.725 7.924 5.011) 16.622 2.361 ( 21.440 12.378 -2.641) 24.897 3.753 ( 4.288 2.476 -7.952) 9.367 4.103 ( 12.392 7.154 6.074) 15.545 4.314 ( -0.537 -0.310 3.479) 3.534 4.656 ( 1.224 0.707 -7.208) 7.345 5.234 ( 12.420 7.171 -3.851) 14.850 5.438 ( -3.851 -2.224 4.060) 6.022 5.643 ( -1.677 -0.968 -1.542) 2.475 6.918 ( -9.806 -5.662 -6.478) 13.045 7.782 ( -31.371 -18.112 5.730) 36.674 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 7.095 4.096 1.865) 8.402 1.879 ( 13.421 7.748 2.891) 15.764 2.798 ( 18.094 10.446 -3.272) 21.147 3.821 ( 4.096 2.365 -6.234) 7.826 4.333 ( 1.192 0.688 2.646) 2.982 4.380 ( 9.853 5.689 7.599) 13.681 4.682 ( 3.093 1.786 -5.191) 6.301 5.262 ( -7.043 -4.066 1.124) 8.210 5.495 ( 6.963 4.020 -6.803) 10.532 5.587 ( -2.642 -1.525 -1.148) 3.259 6.580 ( -19.368 -11.182 -11.115) 24.974 7.259 ( -15.680 -9.053 14.065) 22.926 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 7.820 4.515 -2.480) 9.364 2.161 ( 11.115 6.417 1.572) 12.931 3.112 ( 10.932 6.312 -3.845) 13.196 3.890 ( 3.611 2.085 -3.818) 5.653 4.379 ( 2.170 1.253 1.565) 2.954 4.548 ( 1.725 0.996 3.069) 3.659 4.760 ( 5.160 2.979 -0.626) 5.991 5.093 ( -6.999 -4.041 1.022) 8.146 5.531 ( -2.067 -1.194 0.699) 2.488 5.578 ( 3.678 2.124 -10.384) 11.219 6.055 ( -20.730 -11.968 -13.569) 27.515 7.176 ( -0.185 -0.107 22.553) 22.554 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 6.884 3.974 -4.482) 9.125 2.371 ( 7.319 4.226 0.571) 8.470 3.254 ( 3.622 2.091 -5.016) 6.531 3.945 ( 1.776 1.025 -1.008) 2.285 4.435 ( 2.580 1.490 0.206) 2.987 4.440 ( -9.722 -5.613 -3.673) 11.811 4.868 ( 3.110 1.795 0.079) 3.592 5.024 ( 0.607 0.351 0.679) 0.976 5.508 ( -0.555 -0.320 3.153) 3.217 5.601 ( -1.405 -0.811 -0.535) 1.708 5.687 ( -4.941 -2.853 -16.051) 17.034 7.327 ( 5.329 3.076 24.883) 25.632 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 5.058 2.920 -5.204) 7.822 2.486 ( 3.002 1.733 -0.146) 3.470 3.267 ( 0.295 0.170 -5.892) 5.902 3.945 ( -2.039 -1.178 1.064) 2.584 4.196 ( -8.867 -5.119 -7.321) 12.587 4.495 ( 2.940 1.697 -0.767) 3.480 4.896 ( 0.517 0.299 -2.024) 2.110 5.058 ( 0.503 0.291 1.842) 1.931 5.525 ( 0.649 0.375 4.744) 4.803 5.533 ( -1.289 -0.744 1.645) 2.219 5.691 ( 4.476 2.584 -10.130) 11.373 7.556 ( 7.380 4.261 23.480) 24.979 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.000 7.565 12.237) 14.387 1.113 ( -0.000 14.495 14.404) 20.434 1.713 ( -0.000 5.963 17.651) 18.631 3.500 ( 0.000 -1.435 -6.327) 6.488 3.682 ( 0.000 10.907 -6.876) 12.893 4.453 ( -0.000 1.017 2.066) 2.303 4.474 ( -0.000 5.384 4.413) 6.962 4.682 ( 0.000 0.009 -9.638) 9.638 5.500 ( -0.000 -2.956 2.585) 3.926 5.617 ( -0.000 0.024 2.612) 2.612 7.183 ( 0.000 4.931 -2.924) 5.733 9.135 ( -0.000 -23.001 2.875) 23.180 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 8.061 10.472 9.312) 16.167 1.335 ( 3.248 10.489 16.774) 20.048 1.863 ( 4.705 12.565 3.696) 13.916 3.541 ( 7.321 -0.986 -5.291) 9.086 3.804 ( 3.498 12.850 -2.563) 13.562 4.394 ( -4.263 0.727 3.760) 5.730 4.648 ( 0.315 0.165 -8.037) 8.044 4.713 ( 14.098 6.469 -0.250) 15.513 5.502 ( 1.030 -1.670 3.217) 3.768 5.618 ( 0.925 -3.730 2.312) 4.485 7.174 ( -4.492 2.544 -4.969) 7.165 8.732 ( -19.386 -25.537 3.182) 32.219 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.718 6.031 11.497) 13.505 1.513 ( 6.678 12.039 7.418) 15.639 2.178 ( 15.004 17.134 -3.584) 23.055 3.644 ( 7.200 0.540 -6.725) 9.867 4.026 ( 8.467 10.797 4.116) 14.325 4.356 ( -2.544 0.799 3.966) 4.780 4.632 ( 0.340 2.026 -7.651) 7.922 5.022 ( 16.110 3.843 -4.177) 17.081 5.478 ( -3.116 -3.917 3.447) 6.078 5.610 ( 2.054 -3.465 1.787) 4.406 7.050 ( -9.169 -0.239 -4.559) 10.242 8.097 ( -27.781 -23.770 2.459) 36.645 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 2.971 4.431 5.235) 7.474 1.820 ( 9.267 15.611 3.523) 18.493 2.600 ( 17.536 13.999 -3.314) 22.682 3.739 ( 5.710 2.102 -7.253) 9.467 4.259 ( 6.375 1.781 6.295) 9.134 4.384 ( 2.716 6.295 4.845) 8.395 4.653 ( 1.671 4.067 -6.282) 7.668 5.247 ( 10.444 -0.409 -8.833) 13.685 5.356 ( -3.932 -8.821 1.294) 9.744 5.622 ( -0.248 0.512 2.013) 2.092 6.837 ( -16.292 0.524 -4.945) 17.034 7.456 ( -21.526 -20.175 6.831) 30.283 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 5.467 5.153 0.109) 7.514 2.122 ( 7.515 15.330 2.302) 17.228 2.965 ( 13.597 9.002 -3.072) 16.594 3.827 ( 4.949 2.956 -6.152) 8.431 4.316 ( 2.631 -3.678 3.456) 5.692 4.566 ( 4.538 7.563 5.058) 10.167 4.723 ( 3.239 5.452 -3.579) 7.282 5.157 ( -7.236 -7.994 1.400) 10.874 5.361 ( 8.750 -5.003 -10.723) 14.717 5.613 ( -2.237 1.323 -0.594) 2.666 6.410 ( -29.823 0.505 -10.483) 31.616 7.192 ( 0.868 -10.914 19.579) 22.432 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 6.094 4.882 -2.598) 8.230 2.367 ( 4.202 13.601 1.557) 14.320 3.185 ( 6.510 4.287 -3.814) 8.678 3.916 ( 3.768 3.486 -3.791) 6.381 4.313 ( 1.720 -7.495 0.552) 7.709 4.631 ( -6.054 5.917 -0.704) 8.495 4.829 ( 3.966 3.253 -0.183) 5.132 5.009 ( -1.363 -4.257 0.146) 4.472 5.418 ( 6.724 -3.104 -5.232) 9.068 5.587 ( -0.730 0.518 -1.871) 2.075 5.937 ( -23.366 4.716 -8.020) 25.150 7.287 ( 8.556 -5.452 23.490) 25.587 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 5.127 3.892 -4.047) 7.604 2.527 ( 0.044 11.292 0.947) 11.331 3.251 ( 0.743 1.693 -4.739) 5.086 3.973 ( -0.061 2.411 -0.881) 2.568 4.202 ( -3.917 -9.455 -4.681) 11.254 4.566 ( -5.345 6.840 -1.999) 8.908 4.877 ( 1.134 -0.067 -1.679) 2.027 5.031 ( 3.266 0.189 1.133) 3.462 5.490 ( 4.329 -0.113 0.431) 4.352 5.591 ( 0.908 0.191 -0.839) 1.251 5.700 ( -9.689 7.021 -4.263) 12.702 7.490 ( 10.770 -3.689 22.447) 25.169 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -0.000 13.547 7.855) 15.659 1.472 ( -0.000 8.906 16.410) 18.671 1.977 ( 0.000 17.489 -2.265) 17.635 3.460 ( 0.000 0.516 -2.480) 2.533 3.895 ( 0.000 13.598 -1.407) 13.670 4.468 ( 0.000 0.200 -0.581) 0.615 4.589 ( -0.000 0.504 1.266) 1.363 4.677 ( 0.000 8.168 -3.181) 8.766 5.483 ( -0.000 -1.059 3.723) 3.871 5.583 ( -0.000 -5.678 3.816) 6.841 7.208 ( 0.000 -0.598 -6.194) 6.222 8.636 ( -0.000 -27.927 -0.679) 27.935 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 6.599 14.179 6.453) 16.918 1.582 ( 0.291 5.078 10.965) 12.087 2.191 ( 4.789 22.236 -5.881) 23.494 3.518 ( 5.809 1.361 -1.961) 6.280 4.054 ( 3.519 12.416 2.609) 13.166 4.429 ( -3.249 0.698 2.157) 3.962 4.614 ( 1.676 1.560 -6.124) 6.538 4.836 ( 8.713 6.758 0.433) 11.035 5.489 ( -1.604 -4.206 3.004) 5.411 5.546 ( 2.616 -3.741 4.619) 6.494 7.118 ( -3.814 -6.295 -5.203) 9.014 8.233 ( -15.971 -24.146 -4.076) 29.236 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.188 3.998 5.118) 6.497 1.845 ( 9.798 17.484 3.475) 20.341 2.504 ( 10.302 18.983 -3.995) 21.964 3.633 ( 6.480 2.279 -3.826) 7.863 4.233 ( 3.504 5.463 5.741) 8.665 4.426 ( 0.505 4.469 4.521) 6.377 4.646 ( 1.834 4.382 -6.601) 8.132 5.030 ( 9.483 2.025 -5.046) 10.931 5.370 ( -4.918 -8.414 1.994) 9.948 5.612 ( 3.149 0.045 4.665) 5.628 6.963 ( -3.471 -8.717 -0.595) 9.402 7.664 ( -24.612 -17.873 -5.963) 30.996 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 2.596 5.177 0.941) 5.867 2.183 ( 7.785 19.223 2.487) 20.888 2.838 ( 11.968 12.703 -2.325) 17.606 3.744 ( 5.750 3.127 -5.032) 8.256 4.276 ( 0.038 -2.655 4.257) 5.018 4.574 ( 4.924 7.416 6.203) 10.850 4.720 ( 3.098 6.958 -5.453) 9.368 5.146 ( 5.880 -2.131 -7.114) 9.472 5.201 ( -4.586 -7.290 0.311) 8.618 5.643 ( -0.717 -0.615 1.563) 1.826 6.829 ( -13.162 0.942 -3.891) 13.757 7.123 ( -11.784 -18.152 5.234) 22.266 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 4.438 5.526 -1.030) 7.162 2.475 ( 3.894 19.021 2.211) 19.541 3.101 ( 8.488 7.216 -2.169) 11.350 3.856 ( 5.707 4.073 -4.734) 8.460 4.246 ( -0.464 -5.212 1.946) 5.583 4.704 ( 2.208 2.715 1.957) 4.009 4.833 ( 2.173 8.690 -2.570) 9.319 5.008 ( -5.378 -6.720 0.204) 8.609 5.257 ( 7.934 -0.062 -5.147) 9.457 5.605 ( -1.934 -1.390 0.000) 2.381 6.410 ( -29.212 6.577 -11.369) 32.029 7.095 ( 12.462 -13.798 19.950) 27.271 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.404 4.952 -2.196) 6.982 2.685 ( -0.680 17.338 2.318) 17.505 3.236 ( 2.728 3.774 -2.942) 5.509 3.968 ( 3.820 4.086 -3.270) 6.479 4.167 ( -2.719 -5.853 -1.504) 6.627 4.696 ( -3.965 0.666 -2.227) 4.596 4.864 ( -1.710 0.191 -0.793) 1.895 4.987 ( 3.638 3.484 0.445) 5.057 5.387 ( 7.722 1.467 -1.844) 8.074 5.579 ( -0.003 -0.279 0.231) 0.362 6.030 ( -21.115 8.826 -5.957) 23.648 7.281 ( 14.698 -11.121 19.715) 26.988 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 16.347 3.617) 16.742 1.646 ( -0.000 2.047 6.828) 7.128 2.362 ( 0.000 24.244 -6.445) 25.086 3.490 ( -0.000 2.942 2.012) 3.564 4.155 ( 0.000 12.063 3.607) 12.591 4.461 ( 0.000 0.495 -2.631) 2.677 4.592 ( 0.000 1.681 -1.508) 2.258 4.869 ( -0.000 9.307 4.991) 10.561 5.464 ( -0.000 -8.972 3.246) 9.542 5.503 ( -0.000 0.197 3.613) 3.619 7.018 ( -0.000 -16.290 -4.979) 17.034 8.133 ( 0.000 -18.393 -10.373) 21.116 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -0.758 2.904 1.596) 3.399 1.851 ( 8.856 16.412 1.900) 18.745 2.589 ( 2.671 21.632 -4.059) 22.171 3.569 ( 3.778 3.942 2.189) 5.883 4.282 ( 0.248 7.265 4.833) 8.729 4.466 ( 1.145 3.352 0.587) 3.590 4.626 ( 1.901 3.107 -3.246) 4.879 4.986 ( 1.527 7.284 3.403) 8.184 5.358 ( -2.916 -9.253 1.556) 9.825 5.561 ( 4.284 0.161 4.204) 6.004 6.814 ( 1.139 -22.758 -1.604) 22.843 7.829 ( -14.162 -10.002 -14.581) 22.654 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 1.022 4.567 -0.606) 4.719 2.200 ( 12.173 17.094 1.025) 21.011 2.828 ( 5.160 16.197 -1.584) 17.073 3.684 ( 4.274 4.495 0.333) 6.211 4.290 ( -2.527 -1.591 3.257) 4.418 4.599 ( 3.741 8.213 5.678) 10.663 4.694 ( 4.409 4.587 -4.833) 7.990 5.071 ( 1.884 4.223 -0.982) 4.727 5.210 ( -4.791 -8.209 -0.079) 9.505 5.633 ( 1.922 -0.909 2.372) 3.186 6.676 ( 8.796 -22.024 6.766) 24.661 7.396 ( -23.669 -2.268 -16.188) 28.765 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 3.049 5.619 -0.724) 6.434 2.558 ( 9.650 17.780 0.795) 20.245 3.050 ( 6.352 10.313 -0.552) 12.125 3.798 ( 4.335 5.030 -1.181) 6.744 4.232 ( -2.012 -3.937 2.027) 4.864 4.695 ( 1.032 1.889 1.105) 2.419 4.848 ( 5.613 8.333 -0.401) 10.055 5.047 ( -4.636 -7.194 -0.513) 8.574 5.151 ( 3.383 4.649 -2.240) 6.171 5.617 ( -1.438 -2.242 -0.081) 2.665 6.738 ( 14.910 -16.185 12.960) 25.539 6.919 ( -26.117 2.553 -13.741) 29.622 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 3.683 5.608 -0.649) 6.741 2.846 ( 3.924 17.217 1.530) 17.725 3.216 ( 4.124 5.889 -1.015) 7.261 3.921 ( 4.939 5.318 -2.013) 7.532 4.165 ( -2.220 -3.403 -0.298) 4.074 4.694 ( -0.366 -2.725 -0.776) 2.857 4.907 ( -3.620 -4.392 -0.095) 5.692 5.006 ( 2.124 9.388 -0.056) 9.626 5.276 ( 6.817 3.522 -0.795) 7.714 5.580 ( -0.519 -0.831 0.236) 1.008 6.483 ( -25.506 8.855 -10.893) 29.114 6.932 ( 18.504 -16.354 15.697) 29.262 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 2.954 -1.770) 3.444 1.928 ( 0.000 15.618 0.213) 15.619 2.759 ( 0.000 19.386 -2.588) 19.558 3.601 ( -0.000 5.667 5.698) 8.037 4.389 ( -0.000 8.281 5.682) 10.043 4.453 ( 0.000 0.982 -3.846) 3.970 4.643 ( 0.000 3.949 0.698) 4.010 5.082 ( -0.000 7.048 9.417) 11.763 5.296 ( -0.000 -9.240 0.351) 9.247 5.532 ( -0.000 0.571 1.912) 1.996 6.535 ( -0.000 -28.594 -3.203) 28.773 7.820 ( 0.000 -4.388 -18.902) 19.404 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.578 4.493 -2.269) 5.066 2.155 ( 9.679 14.349 -0.668) 17.321 2.930 ( 1.284 15.020 -0.384) 15.079 3.698 ( 1.786 6.468 5.363) 8.590 4.353 ( -5.520 -0.861 1.329) 5.742 4.590 ( 8.258 5.921 1.051) 10.215 4.689 ( -0.248 4.939 1.323) 5.119 5.116 ( -2.896 -3.914 6.717) 8.296 5.219 ( -2.359 1.550 -1.257) 3.090 5.585 ( 3.723 -0.072 1.680) 4.085 6.308 ( 7.137 -26.609 0.556) 27.555 7.625 ( -12.178 0.295 -20.446) 23.800 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 2.111 5.756 -0.737) 6.175 2.493 ( 14.500 13.238 -1.281) 19.675 3.084 ( 2.461 10.375 0.964) 10.706 3.811 ( 1.979 6.968 3.686) 8.128 4.250 ( -4.104 -4.039 1.502) 5.951 4.713 ( 0.297 1.127 0.102) 1.170 4.809 ( 7.691 7.633 1.940) 11.008 5.008 ( -2.539 -7.909 0.150) 8.308 5.227 ( -2.851 7.666 0.524) 8.196 5.608 ( -0.086 -1.918 -0.482) 1.980 6.306 ( 17.200 -20.438 8.476) 28.025 7.303 ( -20.268 4.534 -19.414) 28.430 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 5.352 -1.777) 5.640 2.193 ( 0.000 12.219 -1.252) 12.283 3.049 ( 0.000 11.110 1.408) 11.199 3.772 ( -0.000 7.039 6.432) 9.536 4.445 ( 0.000 0.993 -3.925) 4.048 4.500 ( -0.000 -2.612 6.586) 7.086 4.758 ( 0.000 6.822 1.439) 6.972 5.086 ( -0.000 -8.905 3.567) 9.593 5.318 ( -0.000 7.965 6.306) 10.159 5.547 ( 0.000 0.526 -0.720) 0.891 5.991 ( -0.000 -23.364 -2.875) 23.540 7.662 ( 0.000 2.234 -22.407) 22.518 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 1.122 6.260 0.361) 6.370 2.383 ( 10.094 10.190 -1.464) 14.418 3.150 ( 0.841 7.060 2.678) 7.597 3.869 ( 1.258 6.602 4.957) 8.352 4.309 ( -7.466 -4.707 1.768) 9.001 4.616 ( 9.207 -3.255 1.672) 9.908 4.823 ( 0.258 5.295 1.011) 5.397 5.005 ( -2.787 -3.221 1.149) 4.412 5.365 ( -4.098 7.211 3.810) 9.127 5.582 ( 1.670 -0.289 -0.590) 1.794 5.889 ( 12.032 -16.651 1.790) 20.621 7.528 ( -10.165 4.696 -22.225) 24.886 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 6.712 2.518) 7.168 2.378 ( 0.000 7.933 -0.787) 7.972 3.205 ( -0.000 3.471 4.140) 5.402 3.923 ( -0.000 4.118 3.084) 5.145 4.381 ( -0.000 -12.990 7.474) 14.987 4.446 ( 0.000 1.762 -1.883) 2.579 4.863 ( -0.000 2.325 1.043) 2.548 5.027 ( 0.000 1.527 0.250) 1.547 5.514 ( -0.000 6.141 9.663) 11.450 5.542 ( 0.000 0.508 -3.250) 3.289 5.650 ( -0.000 -10.119 -2.638) 10.457 7.581 ( 0.000 5.823 -23.347) 24.062 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 0.000 11.829) 11.829 0.975 ( -0.000 0.000 11.829) 11.829 1.762 ( -0.000 0.000 23.756) 23.756 3.513 ( 0.000 -0.000 -7.295) 7.295 3.513 ( 0.000 -0.000 -7.295) 7.295 4.437 ( -0.000 0.000 3.219) 3.219 4.437 ( -0.000 0.000 3.219) 3.219 4.651 ( 0.000 -0.000 -9.459) 9.459 5.571 ( -0.000 0.000 1.438) 1.438 5.571 ( -0.000 0.000 1.438) 1.438 7.136 ( -0.000 0.000 0.866) 0.866 9.386 ( -0.000 0.000 0.607) 0.607 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 6.780 3.914 8.932) 11.878 1.176 ( 12.956 7.480 12.642) 19.586 1.810 ( -1.332 -0.769 14.459) 14.541 3.545 ( 3.181 1.836 -7.855) 8.671 3.573 ( 8.786 5.073 -2.707) 10.500 4.408 ( -2.196 -1.268 3.675) 4.465 4.583 ( 9.062 5.232 -1.760) 10.610 4.622 ( 1.943 1.122 -6.331) 6.716 5.541 ( -0.657 -0.379 3.073) 3.165 5.630 ( 1.921 1.109 -0.540) 2.284 7.138 ( -0.923 -0.533 -0.874) 1.379 9.136 ( -21.560 -12.448 2.571) 25.028 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 10.798 6.234 5.715) 13.716 1.474 ( 5.053 2.917 17.952) 18.877 1.918 ( 13.002 7.507 -2.430) 15.209 3.598 ( 4.116 2.376 -8.162) 9.444 3.838 ( 13.947 8.052 2.935) 16.370 4.372 ( -2.017 -1.164 3.772) 4.433 4.585 ( 0.392 0.226 -7.777) 7.790 4.890 ( 14.746 8.514 -3.242) 17.333 5.533 ( -1.750 -1.010 3.875) 4.370 5.647 ( 0.049 0.029 -2.305) 2.305 7.065 ( -5.428 -3.134 -1.409) 6.424 8.536 ( -31.738 -18.324 4.201) 36.888 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.777 0.449 10.287) 10.326 1.605 ( 12.933 7.467 3.402) 15.317 2.328 ( 21.565 12.451 -3.356) 25.126 3.667 ( 4.675 2.699 -8.161) 9.784 4.166 ( 13.518 7.805 5.489) 16.547 4.353 ( -0.727 -0.420 3.900) 3.989 4.583 ( 1.861 1.074 -6.066) 6.435 5.167 ( 11.072 6.393 -8.645) 15.434 5.475 ( -4.582 -2.646 2.834) 6.002 5.620 ( -1.488 -0.859 -2.867) 3.343 6.886 ( -11.052 -6.381 0.058) 12.762 7.848 ( -29.481 -17.021 6.972) 34.749 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.173 2.409 3.610) 6.021 1.906 ( 12.947 7.475 2.189) 15.109 2.767 ( 17.925 10.349 -2.591) 20.859 3.748 ( 5.041 2.910 -7.551) 9.534 4.368 ( 0.739 0.427 3.920) 4.011 4.442 ( 9.143 5.279 3.519) 11.128 4.635 ( 4.493 2.594 -2.848) 5.918 5.263 ( -3.234 -1.867 -1.409) 3.991 5.392 ( 1.451 0.838 -11.554) 11.675 5.572 ( -1.802 -1.040 -1.718) 2.698 6.511 ( -22.714 -13.114 -2.735) 26.370 7.425 ( -10.794 -6.232 17.449) 21.444 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.049 3.492 -0.201) 6.987 2.178 ( 10.706 6.181 1.533) 12.456 3.074 ( 10.373 5.989 -3.188) 12.394 3.838 ( 5.135 2.965 -5.925) 8.382 4.406 ( 1.343 0.775 3.342) 3.684 4.550 ( -0.625 -0.361 -2.576) 2.675 4.761 ( 6.370 3.678 0.427) 7.368 5.100 ( -7.670 -4.428 0.210) 8.859 5.436 ( 5.245 3.028 -14.660) 15.862 5.539 ( -0.849 -0.490 0.764) 1.243 5.982 ( -21.047 -12.151 -1.797) 24.369 7.419 ( 1.339 0.773 23.654) 23.704 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.000 6.667 8.810) 11.049 1.241 ( -0.000 16.811 9.951) 19.536 1.871 ( -0.000 -2.073 12.178) 12.353 3.446 ( 0.000 -0.338 -3.872) 3.887 3.621 ( 0.000 12.633 -4.701) 13.479 4.468 ( -0.000 0.027 0.865) 0.866 4.517 ( -0.000 6.469 3.522) 7.366 4.588 ( 0.000 -0.073 -7.773) 7.774 5.530 ( -0.000 -2.305 3.156) 3.908 5.632 ( 0.000 1.290 0.298) 1.324 7.160 ( 0.000 1.999 -1.732) 2.645 9.157 ( -0.000 -22.430 1.353) 22.471 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 7.064 9.968 5.998) 13.610 1.501 ( 5.431 12.648 14.528) 20.013 1.875 ( 0.731 4.645 -1.172) 4.846 3.493 ( 5.532 0.252 -3.793) 6.713 3.791 ( 5.994 14.525 -0.136) 15.713 4.428 ( -3.215 0.344 2.602) 4.150 4.563 ( -0.038 0.977 -7.198) 7.265 4.715 ( 11.658 6.297 0.143) 13.251 5.540 ( 1.110 -1.458 3.913) 4.321 5.628 ( -0.228 -1.700 -0.290) 1.740 7.134 ( -3.886 0.361 -2.831) 4.822 8.756 ( -18.239 -26.937 1.541) 32.568 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 8.427 12.435 3.942) 15.530 1.616 ( -1.606 1.126 10.981) 11.154 2.133 ( 16.099 17.222 -4.684) 24.036 3.578 ( 5.361 1.761 -5.626) 7.969 4.071 ( 10.318 11.777 3.914) 16.139 4.397 ( -2.249 0.906 3.615) 4.354 4.559 ( 0.709 2.112 -5.793) 6.206 4.968 ( 12.917 3.357 -5.798) 14.550 5.510 ( -3.444 -4.845 2.408) 6.414 5.621 ( 0.878 0.006 0.235) 0.909 7.022 ( -7.881 -1.450 -0.860) 8.059 8.123 ( -25.541 -26.151 2.651) 36.650 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.943 1.763 4.953) 5.341 1.850 ( 8.866 15.545 1.983) 18.005 2.570 ( 17.880 14.055 -2.038) 22.834 3.665 ( 5.049 2.957 -6.573) 8.800 4.311 ( 5.438 1.419 3.245) 6.489 4.436 ( 3.303 7.649 4.491) 9.465 4.596 ( 2.695 3.661 -3.727) 5.878 5.144 ( 10.151 -0.492 -10.092) 14.323 5.368 ( -6.098 -8.479 0.665) 10.465 5.628 ( -1.936 2.460 -1.038) 3.298 6.804 ( -18.698 -2.375 -1.481) 18.906 7.550 ( -14.131 -20.279 10.879) 27.005 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 4.002 3.667 1.675) 5.681 2.143 ( 7.278 15.424 1.630) 17.132 2.939 ( 13.099 8.960 -1.846) 15.977 3.760 ( 5.325 3.787 -6.412) 9.155 4.347 ( 1.998 -4.197 2.119) 5.108 4.597 ( 1.690 8.634 0.596) 8.818 4.697 ( 5.549 4.211 -1.038) 7.043 5.165 ( -7.408 -8.935 -0.772) 11.633 5.251 ( 8.638 -1.259 -8.676) 12.307 5.601 ( -2.924 2.333 -1.422) 4.002 6.333 ( -28.870 -3.240 -4.571) 29.409 7.406 ( 4.292 -10.427 21.130) 23.951 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.000 12.332 4.936) 13.283 1.635 ( -0.000 8.866 14.486) 16.984 1.923 ( 0.000 11.983 -8.089) 14.458 3.449 ( 0.000 1.884 0.458) 1.939 3.890 ( 0.000 15.889 0.037) 15.889 4.457 ( 0.000 -0.705 -1.517) 1.673 4.549 ( 0.000 1.088 -5.641) 5.745 4.709 ( -0.000 9.537 6.268) 11.412 5.527 ( -0.000 -0.981 4.424) 4.532 5.607 ( -0.000 -4.235 0.810) 4.312 7.147 ( 0.000 -1.923 -5.379) 5.712 8.623 ( -0.000 -31.102 -1.718) 31.149 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 7.390 14.197 3.035) 16.291 1.681 ( -1.709 -1.322 6.886) 7.217 2.127 ( 6.054 23.540 -5.514) 24.924 3.510 ( 3.570 2.791 0.540) 4.563 4.084 ( 4.713 14.154 2.635) 15.149 4.441 ( -0.648 0.126 0.047) 0.662 4.551 ( 0.585 2.362 -5.105) 5.655 4.859 ( 4.286 7.513 3.595) 9.367 5.516 ( -2.409 -5.506 1.882) 6.298 5.588 ( 3.054 -1.344 3.313) 4.702 7.067 ( -2.296 -5.875 -4.389) 7.684 8.191 ( -14.481 -29.098 -3.873) 32.732 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.480 0.890 2.154) 2.380 1.870 ( 9.768 17.114 1.226) 19.744 2.473 ( 11.073 19.444 -1.680) 22.439 3.605 ( 3.949 3.707 -1.414) 5.598 4.279 ( 3.339 5.306 2.536) 6.762 4.472 ( 2.575 5.760 3.646) 7.287 4.582 ( 1.747 3.944 -4.768) 6.430 4.992 ( 4.999 3.385 -2.001) 6.360 5.384 ( -4.996 -8.613 0.683) 9.981 5.648 ( 1.679 0.694 1.889) 2.621 6.960 ( -2.706 -5.637 -0.135) 6.254 7.620 ( -19.417 -24.709 -2.285) 31.509 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 2.464 3.560 1.052) 4.456 2.201 ( 8.024 19.130 0.821) 20.761 2.822 ( 11.863 12.893 -0.548) 17.528 3.702 ( 4.054 4.453 -2.962) 6.711 4.304 ( -0.208 -2.786 0.784) 2.902 4.638 ( 3.742 6.011 5.809) 9.159 4.660 ( 4.204 8.236 -5.824) 10.928 5.086 ( 5.127 1.022 -3.804) 6.465 5.207 ( -5.602 -8.489 0.475) 10.182 5.649 ( -1.747 -0.209 -0.562) 1.848 6.757 ( -22.656 1.033 -8.270) 24.140 7.233 ( 3.591 -21.600 14.177) 26.085 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 15.202 1.295) 15.257 1.686 ( -0.000 -2.123 0.302) 2.145 2.308 ( 0.000 25.632 -3.222) 25.834 3.526 ( -0.000 4.204 4.736) 6.332 4.193 ( 0.000 13.848 3.092) 14.189 4.430 ( 0.000 -0.097 -3.286) 3.288 4.559 ( 0.000 3.429 -3.488) 4.891 4.952 ( -0.000 9.485 9.973) 13.763 5.490 ( -0.000 -8.584 1.478) 8.710 5.544 ( -0.000 -0.577 4.010) 4.052 6.963 ( -0.000 -14.633 -5.436) 15.611 8.026 ( 0.000 -24.346 -9.920) 26.289 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.185 0.903 -2.180) 2.367 1.861 ( 9.014 15.656 -0.077) 18.066 2.563 ( 3.134 22.425 -0.819) 22.657 3.606 ( 1.705 5.105 4.704) 7.148 4.320 ( -0.639 6.283 1.695) 6.539 4.464 ( 4.773 4.942 -0.981) 6.940 4.591 ( 0.442 4.655 -2.525) 5.314 5.047 ( -2.581 7.587 8.018) 11.336 5.369 ( -3.497 -9.738 0.495) 10.359 5.603 ( 4.435 -0.556 3.465) 5.655 6.801 ( 4.164 -20.541 -0.633) 20.968 7.680 ( -12.818 -15.640 -13.726) 24.440 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.000 2.772 -3.589) 4.535 1.923 ( 0.000 14.982 -1.102) 15.022 2.749 ( 0.000 20.288 0.615) 20.298 3.669 ( -0.000 6.077 7.198) 9.420 4.411 ( 0.000 0.810 -4.170) 4.248 4.440 ( 0.000 8.916 3.484) 9.573 4.632 ( 0.000 6.067 -1.646) 6.287 5.199 ( -0.000 7.946 11.268) 13.788 5.309 ( -0.000 -11.205 3.003) 11.601 5.552 ( -0.000 -0.807 1.989) 2.147 6.508 ( -0.000 -28.075 -1.562) 28.118 7.618 ( 0.000 -7.700 -19.267) 20.749 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.000 0.000 7.458) 7.458 1.076 ( -0.000 0.000 7.458) 7.458 1.971 ( -0.000 0.000 15.727) 15.727 3.449 ( 0.000 -0.000 -4.832) 4.832 3.449 ( 0.000 -0.000 -4.832) 4.832 4.464 ( -0.000 0.000 1.970) 1.970 4.464 ( -0.000 0.000 1.970) 1.970 4.563 ( 0.000 -0.000 -7.077) 7.077 5.584 ( 0.000 -0.000 0.969) 0.969 5.584 ( 0.000 0.000 0.969) 0.969 7.144 ( -0.000 0.000 0.568) 0.568 9.392 ( -0.000 0.000 0.411) 0.411 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 5.988 3.457 4.790) 8.412 1.283 ( 15.146 8.744 7.614) 19.075 1.930 ( -6.597 -3.809 8.406) 11.344 3.474 ( 2.552 1.474 -5.560) 6.293 3.558 ( 11.093 6.404 -0.340) 12.813 4.441 ( -1.865 -1.077 2.600) 3.376 4.529 ( 0.666 0.384 -5.403) 5.457 4.598 ( 8.929 5.155 -0.966) 10.355 5.573 ( 0.018 0.010 3.100) 3.100 5.618 ( 1.022 0.590 -1.733) 2.096 7.134 ( -1.498 -0.865 0.010) 1.729 9.156 ( -20.438 -11.800 1.342) 23.638 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 10.196 5.887 2.399) 12.015 1.655 ( 5.759 3.325 16.426) 17.721 1.868 ( 9.667 5.581 -7.168) 13.265 3.522 ( 3.598 2.077 -6.272) 7.523 3.870 ( 15.288 8.827 2.659) 17.852 4.408 ( -1.752 -1.012 3.109) 3.709 4.521 ( 0.643 0.371 -4.035) 4.102 4.843 ( 12.448 7.187 -5.546) 15.406 5.573 ( -1.839 -1.062 3.477) 4.074 5.615 ( -0.320 -0.185 -3.611) 3.630 7.067 ( -4.856 -2.803 1.736) 5.869 8.573 ( -30.726 -17.739 3.087) 35.613 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 12.736 7.353 1.192) 14.755 1.649 ( -2.163 -1.249 7.006) 7.438 2.300 ( 22.383 12.923 -1.474) 25.888 3.588 ( 4.401 2.541 -6.942) 8.603 4.205 ( 13.454 7.768 1.332) 15.592 4.393 ( -0.507 -0.293 3.739) 3.785 4.543 ( 2.476 1.429 -1.148) 3.080 5.063 ( 9.520 5.497 -10.764) 15.385 5.494 ( -6.171 -3.563 0.691) 7.159 5.585 ( -1.079 -0.623 -3.739) 3.941 6.911 ( -11.709 -6.760 4.151) 14.143 7.929 ( -25.897 -14.951 8.504) 31.088 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.000 6.329 4.544) 7.791 1.317 ( 0.000 18.546 4.440) 19.070 1.963 ( -0.000 -7.866 5.421) 9.553 3.422 ( 0.000 0.826 -0.784) 1.139 3.583 ( 0.000 14.063 -2.652) 14.311 4.471 ( -0.000 -0.861 -0.306) 0.914 4.513 ( 0.000 1.206 -3.841) 4.026 4.560 ( 0.000 6.511 2.375) 6.931 5.563 ( -0.000 -1.273 3.169) 3.415 5.625 ( 0.000 1.457 -1.451) 2.056 7.145 ( 0.000 -0.092 -1.057) 1.061 9.165 ( -0.000 -22.443 0.367) 22.446 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 6.161 9.903 2.078) 11.847 1.623 ( 10.418 19.059 7.384) 22.942 1.848 ( -3.906 -5.382 -2.778) 7.207 3.465 ( 2.929 1.795 -1.406) 3.712 3.794 ( 8.080 15.305 0.375) 17.311 4.447 ( -1.500 -0.364 0.967) 1.821 4.509 ( 0.177 0.749 -2.877) 2.978 4.716 ( 7.461 7.820 -0.019) 10.809 5.580 ( 0.986 -1.041 3.671) 3.941 5.613 ( -1.040 -0.498 -2.398) 2.660 7.114 ( -2.376 -1.603 -0.924) 3.011 8.766 ( -17.039 -27.995 0.454) 32.776 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.466 13.286 0.320) 15.757 1.701 ( -3.391 -3.360 3.751) 6.071 2.098 ( 18.035 18.497 -0.780) 25.846 3.531 ( 3.117 3.100 -3.328) 5.514 4.097 ( 10.684 12.088 0.587) 16.143 4.429 ( -1.281 0.846 2.342) 2.800 4.524 ( 1.345 1.551 -0.450) 2.102 4.907 ( 8.694 4.567 -5.498) 11.255 5.525 ( -3.870 -5.572 0.290) 6.790 5.614 ( -0.590 2.307 -1.670) 2.908 7.031 ( -5.707 -3.212 2.341) 6.954 8.153 ( -22.248 -27.232 3.227) 35.312 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 11.733 1.328) 11.808 1.770 ( -0.000 12.661 11.098) 16.837 1.811 ( 0.000 5.219 -12.838) 13.859 3.470 ( -0.000 3.150 3.548) 4.744 3.888 ( 0.000 17.529 -0.759) 17.545 4.436 ( 0.000 -1.463 -2.345) 2.764 4.508 ( 0.000 1.105 -1.582) 1.929 4.779 ( -0.000 11.556 6.650) 13.333 5.573 ( -0.000 -0.736 4.365) 4.427 5.601 ( 0.000 -2.892 -1.795) 3.404 7.098 ( 0.000 -3.878 -3.961) 5.543 8.602 ( -0.000 -33.633 -2.374) 33.717 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -0.000 0.000 2.553) 2.553 1.129 ( -0.000 0.000 2.553) 2.553 2.083 ( -0.000 0.000 5.559) 5.559 3.414 ( 0.000 -0.000 -1.696) 1.696 3.414 ( 0.000 -0.000 -1.696) 1.696 4.478 ( -0.000 0.000 0.663) 0.663 4.478 ( -0.000 0.000 0.663) 0.663 4.510 ( 0.000 -0.000 -2.664) 2.664 5.591 ( -0.000 0.000 0.341) 0.341 5.591 ( -0.000 0.000 0.341) 0.341 7.148 ( -0.000 0.000 0.197) 0.197 9.395 ( -0.000 0.000 0.145) 0.145 ======================= 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 4.63e-04 4.63e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 5.563 3.212 0.152) 6.426 1.332 ( 16.340 9.434 1.662) 18.941 1.983 ( -8.625 -4.980 1.643) 10.094 3.431 ( 1.698 0.980 -2.533) 3.203 3.563 ( 12.373 7.144 1.226) 14.340 4.462 ( -1.380 -0.797 1.462) 2.163 4.495 ( 0.258 0.149 -0.789) 0.843 4.584 ( 7.802 4.504 -1.889) 9.204 5.594 ( -0.039 -0.023 -2.659) 2.659 5.604 ( 0.770 0.445 2.593) 2.741 7.137 ( -1.172 -0.677 0.562) 1.465 9.165 ( -19.778 -11.419 0.451) 22.843 =================== 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 10.0 529.907 529.907 1249.896 0.000 -0.000 0.000 3/40500 20.0 255.087 255.087 317.793 0.000 -0.000 0.000 3/40500 30.0 130.282 130.282 116.822 0.000 -0.000 0.000 3/40500 40.0 66.698 66.698 46.553 0.000 -0.000 0.000 3/40500 50.0 39.742 39.742 23.115 0.000 -0.000 0.000 3/40500 60.0 26.992 26.992 13.965 0.000 -0.000 0.000 3/40500 70.0 20.088 20.088 9.667 0.000 -0.000 0.000 3/40500 80.0 15.919 15.919 7.327 0.000 -0.000 0.000 3/40500 90.0 13.182 13.182 5.903 0.000 -0.000 0.000 3/40500 100.0 11.265 11.265 4.958 0.000 -0.000 0.000 3/40500 110.0 9.853 9.853 4.290 0.000 -0.000 0.000 3/40500 120.0 8.771 8.771 3.794 0.000 -0.000 0.000 3/40500 130.0 7.915 7.915 3.409 0.000 -0.000 0.000 3/40500 140.0 7.221 7.221 3.102 0.000 -0.000 0.000 3/40500 150.0 6.645 6.645 2.850 0.000 -0.000 0.000 3/40500 160.0 6.159 6.159 2.640 0.000 -0.000 0.000 3/40500 170.0 5.744 5.744 2.461 0.000 -0.000 0.000 3/40500 180.0 5.384 5.384 2.306 0.000 -0.000 0.000 3/40500 190.0 5.068 5.068 2.172 0.000 -0.000 0.000 3/40500 200.0 4.790 4.790 2.053 0.000 -0.000 0.000 3/40500 210.0 4.541 4.541 1.947 0.000 -0.000 0.000 3/40500 220.0 4.319 4.319 1.852 0.000 -0.000 0.000 3/40500 230.0 4.118 4.118 1.767 0.000 -0.000 0.000 3/40500 240.0 3.936 3.936 1.690 0.000 -0.000 0.000 3/40500 250.0 3.769 3.769 1.619 0.000 -0.000 0.000 3/40500 260.0 3.617 3.617 1.554 0.000 -0.000 0.000 3/40500 270.0 3.477 3.477 1.495 0.000 -0.000 0.000 3/40500 280.0 3.347 3.347 1.440 0.000 -0.000 0.000 3/40500 290.0 3.228 3.228 1.389 0.000 -0.000 0.000 3/40500 300.0 3.116 3.116 1.341 0.000 -0.000 0.000 3/40500 310.0 3.013 3.013 1.297 0.000 -0.000 0.000 3/40500 320.0 2.916 2.916 1.256 0.000 -0.000 0.000 3/40500 330.0 2.825 2.825 1.217 0.000 -0.000 0.000 3/40500 340.0 2.740 2.740 1.181 0.000 -0.000 0.000 3/40500 350.0 2.660 2.660 1.147 0.000 -0.000 0.000 3/40500 360.0 2.585 2.585 1.115 0.000 -0.000 0.000 3/40500 370.0 2.514 2.514 1.084 0.000 -0.000 0.000 3/40500 380.0 2.447 2.447 1.056 0.000 -0.000 0.000 3/40500 390.0 2.383 2.383 1.029 0.000 -0.000 0.000 3/40500 400.0 2.322 2.322 1.003 0.000 -0.000 0.000 3/40500 410.0 2.265 2.265 0.978 0.000 -0.000 0.000 3/40500 420.0 2.211 2.211 0.955 0.000 -0.000 0.000 3/40500 430.0 2.159 2.159 0.933 0.000 -0.000 0.000 3/40500 440.0 2.109 2.109 0.911 0.000 -0.000 0.000 3/40500 450.0 2.062 2.062 0.891 0.000 -0.000 0.000 3/40500 460.0 2.017 2.017 0.872 0.000 -0.000 0.000 3/40500 470.0 1.973 1.973 0.853 0.000 -0.000 0.000 3/40500 480.0 1.932 1.932 0.836 0.000 -0.000 0.000 3/40500 490.0 1.892 1.892 0.819 0.000 -0.000 0.000 3/40500 500.0 1.854 1.854 0.802 0.000 -0.000 0.000 3/40500 510.0 1.818 1.818 0.787 0.000 -0.000 0.000 3/40500 520.0 1.783 1.783 0.771 0.000 -0.000 0.000 3/40500 530.0 1.749 1.749 0.757 0.000 -0.000 0.000 3/40500 540.0 1.716 1.716 0.743 0.000 -0.000 0.000 3/40500 550.0 1.685 1.685 0.730 0.000 -0.000 0.000 3/40500 560.0 1.655 1.655 0.717 0.000 -0.000 0.000 3/40500 570.0 1.626 1.626 0.704 0.000 -0.000 0.000 3/40500 580.0 1.598 1.598 0.692 0.000 -0.000 0.000 3/40500 590.0 1.571 1.571 0.680 0.000 -0.000 0.000 3/40500 600.0 1.544 1.544 0.669 0.000 -0.000 0.000 3/40500 610.0 1.519 1.519 0.658 0.000 -0.000 0.000 3/40500 620.0 1.494 1.494 0.648 0.000 -0.000 0.000 3/40500 630.0 1.471 1.471 0.637 0.000 -0.000 0.000 3/40500 640.0 1.448 1.448 0.628 0.000 -0.000 0.000 3/40500 650.0 1.425 1.425 0.618 0.000 -0.000 0.000 3/40500 660.0 1.404 1.404 0.609 0.000 -0.000 0.000 3/40500 670.0 1.383 1.383 0.600 0.000 -0.000 0.000 3/40500 680.0 1.363 1.363 0.591 0.000 -0.000 0.000 3/40500 690.0 1.343 1.343 0.582 0.000 -0.000 0.000 3/40500 700.0 1.324 1.324 0.574 0.000 -0.000 0.000 3/40500 710.0 1.305 1.305 0.566 0.000 -0.000 0.000 3/40500 720.0 1.287 1.287 0.558 0.000 -0.000 0.000 3/40500 730.0 1.269 1.269 0.551 0.000 -0.000 0.000 3/40500 740.0 1.252 1.252 0.543 0.000 -0.000 0.000 3/40500 750.0 1.236 1.236 0.536 0.000 -0.000 0.000 3/40500 760.0 1.219 1.219 0.529 0.000 -0.000 0.000 3/40500 770.0 1.203 1.203 0.522 0.000 -0.000 0.000 3/40500 780.0 1.188 1.188 0.516 0.000 -0.000 0.000 3/40500 790.0 1.173 1.173 0.509 0.000 -0.000 0.000 3/40500 800.0 1.158 1.158 0.503 0.000 -0.000 0.000 3/40500 810.0 1.144 1.144 0.497 0.000 -0.000 0.000 3/40500 820.0 1.130 1.130 0.491 0.000 -0.000 0.000 3/40500 830.0 1.117 1.117 0.485 0.000 -0.000 0.000 3/40500 840.0 1.103 1.103 0.479 0.000 -0.000 0.000 3/40500 850.0 1.090 1.090 0.473 0.000 -0.000 0.000 3/40500 860.0 1.078 1.078 0.468 0.000 -0.000 0.000 3/40500 870.0 1.065 1.065 0.463 0.000 -0.000 0.000 3/40500 880.0 1.053 1.053 0.457 0.000 -0.000 0.000 3/40500 890.0 1.042 1.042 0.452 0.000 -0.000 0.000 3/40500 900.0 1.030 1.030 0.447 0.000 -0.000 0.000 3/40500 910.0 1.019 1.019 0.442 0.000 -0.000 0.000 3/40500 920.0 1.008 1.008 0.438 0.000 -0.000 0.000 3/40500 930.0 0.997 0.997 0.433 0.000 -0.000 0.000 3/40500 940.0 0.986 0.986 0.428 0.000 -0.000 0.000 3/40500 950.0 0.976 0.976 0.424 0.000 -0.000 0.000 3/40500 960.0 0.966 0.966 0.420 0.000 -0.000 0.000 3/40500 970.0 0.956 0.956 0.415 0.000 -0.000 0.000 3/40500 980.0 0.946 0.946 0.411 0.000 -0.000 0.000 3/40500 990.0 0.937 0.937 0.407 0.000 -0.000 0.000 3/40500 1000.0 0.927 0.927 0.403 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 01:46:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|