----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:43:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.988489361768833 1.148054868297941 6.370364759999992 b -1.988489361768829 1.148054868297941 6.370364759999992 c 0.000000000000002 -2.296109736595885 6.370364759999992 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 Se 0.24884894203721 0.24884894203721 0.24884894203721 78.960 3 Se 0.75115105796278 0.75115105796278 0.75115105796279 78.960 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.976978723537662 0.000000000000000 0.000000000000000 b -1.988489361768831 3.444164604893825 0.000000000000000 c 0.000000000000000 0.000000000000000 19.111094279999996 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 0.24884894203721 78.960 > 2 5 Se 0.66666666666667 0.33333333333333 0.08448439129612 78.960 > 3 6 Se 0.66666666666667 0.33333333333333 0.58218227537055 78.960 > 2 7 Se 0.33333333333333 0.66666666666667 0.41781772462945 78.960 > 3 8 Se 0.33333333333333 0.66666666666667 0.91551560870388 78.960 > 2 9 Se 0.00000000000000 0.00000000000000 0.75115105796279 78.960 > 3 *10 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 11 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 4 12 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.930936170612986 0.000000000000000 0.000000000000000 b -5.965468085306493 10.332493814681476 0.000000000000000 c 0.000000000000000 0.000000000000000 19.111094279999996 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 0.24884894203721 78.960 > 2 29 Se 0.33333333333333 0.00000000000000 0.24884894203721 78.960 > 2 30 Se 0.66666666666667 0.00000000000000 0.24884894203721 78.960 > 2 31 Se 0.00000000000000 0.33333333333333 0.24884894203721 78.960 > 2 32 Se 0.33333333333333 0.33333333333333 0.24884894203721 78.960 > 2 33 Se 0.66666666666667 0.33333333333333 0.24884894203721 78.960 > 2 34 Se 0.00000000000000 0.66666666666667 0.24884894203721 78.960 > 2 35 Se 0.33333333333333 0.66666666666667 0.24884894203721 78.960 > 2 36 Se 0.66666666666667 0.66666666666667 0.24884894203721 78.960 > 2 37 Se 0.22222222222222 0.11111111111111 0.08448439129612 78.960 > 3 38 Se 0.55555555555556 0.11111111111111 0.08448439129612 78.960 > 3 39 Se 0.88888888888889 0.11111111111111 0.08448439129612 78.960 > 3 40 Se 0.22222222222222 0.44444444444444 0.08448439129612 78.960 > 3 41 Se 0.55555555555556 0.44444444444444 0.08448439129612 78.960 > 3 42 Se 0.88888888888889 0.44444444444444 0.08448439129612 78.960 > 3 43 Se 0.22222222222222 0.77777777777778 0.08448439129612 78.960 > 3 44 Se 0.55555555555556 0.77777777777778 0.08448439129612 78.960 > 3 45 Se 0.88888888888889 0.77777777777778 0.08448439129612 78.960 > 3 46 Se 0.22222222222222 0.11111111111111 0.58218227537055 78.960 > 2 47 Se 0.55555555555556 0.11111111111111 0.58218227537055 78.960 > 2 48 Se 0.88888888888889 0.11111111111111 0.58218227537055 78.960 > 2 49 Se 0.22222222222222 0.44444444444444 0.58218227537055 78.960 > 2 50 Se 0.55555555555556 0.44444444444444 0.58218227537055 78.960 > 2 51 Se 0.88888888888889 0.44444444444444 0.58218227537055 78.960 > 2 52 Se 0.22222222222222 0.77777777777778 0.58218227537055 78.960 > 2 53 Se 0.55555555555556 0.77777777777778 0.58218227537055 78.960 > 2 54 Se 0.88888888888889 0.77777777777778 0.58218227537055 78.960 > 2 55 Se 0.11111111111111 0.22222222222222 0.41781772462945 78.960 > 3 56 Se 0.44444444444444 0.22222222222222 0.41781772462945 78.960 > 3 57 Se 0.77777777777778 0.22222222222222 0.41781772462945 78.960 > 3 58 Se 0.11111111111111 0.55555555555556 0.41781772462945 78.960 > 3 59 Se 0.44444444444444 0.55555555555556 0.41781772462945 78.960 > 3 60 Se 0.77777777777778 0.55555555555556 0.41781772462945 78.960 > 3 61 Se 0.11111111111111 0.88888888888889 0.41781772462945 78.960 > 3 62 Se 0.44444444444444 0.88888888888889 0.41781772462945 78.960 > 3 63 Se 0.77777777777778 0.88888888888889 0.41781772462945 78.960 > 3 64 Se 0.11111111111111 0.22222222222222 0.91551560870388 78.960 > 2 65 Se 0.44444444444444 0.22222222222222 0.91551560870388 78.960 > 2 66 Se 0.77777777777778 0.22222222222222 0.91551560870388 78.960 > 2 67 Se 0.11111111111111 0.55555555555556 0.91551560870388 78.960 > 2 68 Se 0.44444444444444 0.55555555555556 0.91551560870388 78.960 > 2 69 Se 0.77777777777778 0.55555555555556 0.91551560870388 78.960 > 2 70 Se 0.11111111111111 0.88888888888889 0.91551560870388 78.960 > 2 71 Se 0.44444444444444 0.88888888888889 0.91551560870388 78.960 > 2 72 Se 0.77777777777778 0.88888888888889 0.91551560870388 78.960 > 2 73 Se 0.00000000000000 0.00000000000000 0.75115105796279 78.960 > 3 74 Se 0.33333333333333 0.00000000000000 0.75115105796279 78.960 > 3 75 Se 0.66666666666667 0.00000000000000 0.75115105796279 78.960 > 3 76 Se 0.00000000000000 0.33333333333333 0.75115105796279 78.960 > 3 77 Se 0.33333333333333 0.33333333333333 0.75115105796279 78.960 > 3 78 Se 0.66666666666667 0.33333333333333 0.75115105796279 78.960 > 3 79 Se 0.00000000000000 0.66666666666667 0.75115105796279 78.960 > 3 80 Se 0.33333333333333 0.66666666666667 0.75115105796279 78.960 > 3 81 Se 0.66666666666667 0.66666666666667 0.75115105796279 78.960 > 3 *82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 4 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 4 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 4 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 4 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 4 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 4 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 4 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 4 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 4 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 4 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 4 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 4 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 4 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 4 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 4 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 4 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 4 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 4 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 4 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 4 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 4 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 4 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 4 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 4 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 4 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 4 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1852203 -0.0000000 0.0000000 0.0000000 8.1852203 0.0000000 0.0000000 0.0000000 6.2665715 -------------------------- Born effective charges -------------------------- 1 Li 1.2782121 0.0000000 0.0000000 0.0000000 1.2782121 0.0000000 0.0000000 0.0000000 1.7304339 2 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 3 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 4 Er 4.4890378 0.0000000 0.0000000 0.0000000 4.4890378 0.0000000 0.0000000 0.0000000 2.3026865 ---------------------------------------------------------------------------- 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 80 / 80 - Time: 0.127 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134 --------------------------------- 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:43:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.988489361768833 1.148054868297941 6.370364759999992 b -1.988489361768829 1.148054868297941 6.370364759999992 c 0.000000000000002 -2.296109736595885 6.370364759999992 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24884894203721 0.24884894203721 0.24884894203721 78.960 3 Se 0.75115105796278 0.75115105796278 0.75115105796279 78.960 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.930936170612986 0.000000000000000 0.000000000000000 b -5.965468085306493 10.332493814681476 0.000000000000000 c 0.000000000000000 0.000000000000000 19.111094279999996 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 0.24884894203721 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24884894203721 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24884894203721 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24884894203721 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24884894203721 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24884894203721 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24884894203721 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24884894203721 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24884894203721 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08448439129612 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08448439129612 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08448439129612 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08448439129612 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08448439129612 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08448439129612 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08448439129612 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08448439129612 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08448439129612 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58218227537055 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58218227537055 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58218227537055 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58218227537055 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58218227537055 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58218227537055 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58218227537055 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58218227537055 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58218227537055 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41781772462945 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41781772462945 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41781772462945 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41781772462945 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41781772462945 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41781772462945 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41781772462945 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41781772462945 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41781772462945 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91551560870388 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91551560870388 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91551560870388 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91551560870388 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91551560870388 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91551560870388 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91551560870388 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91551560870388 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91551560870388 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75115105796279 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75115105796279 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75115105796279 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75115105796279 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75115105796279 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75115105796279 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75115105796279 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75115105796279 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75115105796279 78.960 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.1852203 -0.0000000 0.0000000 0.0000000 8.1852203 0.0000000 0.0000000 0.0000000 6.2665715 -------------------------- Born effective charges -------------------------- 1 Li 1.2782121 0.0000000 0.0000000 0.0000000 1.2782121 0.0000000 0.0000000 0.0000000 1.7304339 2 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 3 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 4 Er 4.4890378 0.0000000 0.0000000 0.0000000 4.4890378 0.0000000 0.0000000 0.0000000 2.3026865 ---------------------------------------------------------------------------- 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 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:43:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:43:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.988489361768833 1.148054868297941 6.370364759999992 b -1.988489361768829 1.148054868297941 6.370364759999992 c 0.000000000000002 -2.296109736595885 6.370364759999992 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 Se 0.24884894203721 0.24884894203721 0.24884894203721 78.960 3 Se 0.75115105796278 0.75115105796278 0.75115105796279 78.960 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.930936170612986 0.000000000000000 0.000000000000000 b -5.965468085306493 10.332493814681476 0.000000000000000 c 0.000000000000000 0.000000000000000 19.111094279999996 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 0.24884894203721 78.960 > 28 29 Se 0.33333333333333 0.00000000000000 0.24884894203721 78.960 > 28 30 Se 0.66666666666667 0.00000000000000 0.24884894203721 78.960 > 28 31 Se 0.00000000000000 0.33333333333333 0.24884894203721 78.960 > 28 32 Se 0.33333333333333 0.33333333333333 0.24884894203721 78.960 > 28 33 Se 0.66666666666667 0.33333333333333 0.24884894203721 78.960 > 28 34 Se 0.00000000000000 0.66666666666667 0.24884894203721 78.960 > 28 35 Se 0.33333333333333 0.66666666666667 0.24884894203721 78.960 > 28 36 Se 0.66666666666667 0.66666666666667 0.24884894203721 78.960 > 28 37 Se 0.22222222222222 0.11111111111111 0.08448439129612 78.960 > 37 38 Se 0.55555555555556 0.11111111111111 0.08448439129612 78.960 > 37 39 Se 0.88888888888889 0.11111111111111 0.08448439129612 78.960 > 37 40 Se 0.22222222222222 0.44444444444444 0.08448439129612 78.960 > 37 41 Se 0.55555555555556 0.44444444444444 0.08448439129612 78.960 > 37 42 Se 0.88888888888889 0.44444444444444 0.08448439129612 78.960 > 37 43 Se 0.22222222222222 0.77777777777778 0.08448439129612 78.960 > 37 44 Se 0.55555555555556 0.77777777777778 0.08448439129612 78.960 > 37 45 Se 0.88888888888889 0.77777777777778 0.08448439129612 78.960 > 37 46 Se 0.22222222222222 0.11111111111111 0.58218227537055 78.960 > 28 47 Se 0.55555555555556 0.11111111111111 0.58218227537055 78.960 > 28 48 Se 0.88888888888889 0.11111111111111 0.58218227537055 78.960 > 28 49 Se 0.22222222222222 0.44444444444444 0.58218227537055 78.960 > 28 50 Se 0.55555555555556 0.44444444444444 0.58218227537055 78.960 > 28 51 Se 0.88888888888889 0.44444444444444 0.58218227537055 78.960 > 28 52 Se 0.22222222222222 0.77777777777778 0.58218227537055 78.960 > 28 53 Se 0.55555555555556 0.77777777777778 0.58218227537055 78.960 > 28 54 Se 0.88888888888889 0.77777777777778 0.58218227537055 78.960 > 28 55 Se 0.11111111111111 0.22222222222222 0.41781772462945 78.960 > 37 56 Se 0.44444444444444 0.22222222222222 0.41781772462945 78.960 > 37 57 Se 0.77777777777778 0.22222222222222 0.41781772462945 78.960 > 37 58 Se 0.11111111111111 0.55555555555556 0.41781772462945 78.960 > 37 59 Se 0.44444444444444 0.55555555555556 0.41781772462945 78.960 > 37 60 Se 0.77777777777778 0.55555555555556 0.41781772462945 78.960 > 37 61 Se 0.11111111111111 0.88888888888889 0.41781772462945 78.960 > 37 62 Se 0.44444444444444 0.88888888888889 0.41781772462945 78.960 > 37 63 Se 0.77777777777778 0.88888888888889 0.41781772462945 78.960 > 37 64 Se 0.11111111111111 0.22222222222222 0.91551560870388 78.960 > 28 65 Se 0.44444444444444 0.22222222222222 0.91551560870388 78.960 > 28 66 Se 0.77777777777778 0.22222222222222 0.91551560870388 78.960 > 28 67 Se 0.11111111111111 0.55555555555556 0.91551560870388 78.960 > 28 68 Se 0.44444444444444 0.55555555555556 0.91551560870388 78.960 > 28 69 Se 0.77777777777778 0.55555555555556 0.91551560870388 78.960 > 28 70 Se 0.11111111111111 0.88888888888889 0.91551560870388 78.960 > 28 71 Se 0.44444444444444 0.88888888888889 0.91551560870388 78.960 > 28 72 Se 0.77777777777778 0.88888888888889 0.91551560870388 78.960 > 28 73 Se 0.00000000000000 0.00000000000000 0.75115105796279 78.960 > 37 74 Se 0.33333333333333 0.00000000000000 0.75115105796279 78.960 > 37 75 Se 0.66666666666667 0.00000000000000 0.75115105796279 78.960 > 37 76 Se 0.00000000000000 0.33333333333333 0.75115105796279 78.960 > 37 77 Se 0.33333333333333 0.33333333333333 0.75115105796279 78.960 > 37 78 Se 0.66666666666667 0.33333333333333 0.75115105796279 78.960 > 37 79 Se 0.00000000000000 0.66666666666667 0.75115105796279 78.960 > 37 80 Se 0.33333333333333 0.66666666666667 0.75115105796279 78.960 > 37 81 Se 0.66666666666667 0.66666666666667 0.75115105796279 78.960 > 37 82 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 82 83 Er 0.33333333333333 0.00000000000000 0.00000000000000 167.259 > 82 84 Er 0.66666666666667 0.00000000000000 0.00000000000000 167.259 > 82 85 Er 0.00000000000000 0.33333333333333 0.00000000000000 167.259 > 82 86 Er 0.33333333333333 0.33333333333333 0.00000000000000 167.259 > 82 87 Er 0.66666666666667 0.33333333333333 0.00000000000000 167.259 > 82 88 Er 0.00000000000000 0.66666666666667 0.00000000000000 167.259 > 82 89 Er 0.33333333333333 0.66666666666667 0.00000000000000 167.259 > 82 90 Er 0.66666666666667 0.66666666666667 0.00000000000000 167.259 > 82 91 Er 0.22222222222222 0.11111111111111 0.33333333333333 167.259 > 82 92 Er 0.55555555555556 0.11111111111111 0.33333333333333 167.259 > 82 93 Er 0.88888888888889 0.11111111111111 0.33333333333333 167.259 > 82 94 Er 0.22222222222222 0.44444444444444 0.33333333333333 167.259 > 82 95 Er 0.55555555555556 0.44444444444444 0.33333333333333 167.259 > 82 96 Er 0.88888888888889 0.44444444444444 0.33333333333333 167.259 > 82 97 Er 0.22222222222222 0.77777777777778 0.33333333333333 167.259 > 82 98 Er 0.55555555555556 0.77777777777778 0.33333333333333 167.259 > 82 99 Er 0.88888888888889 0.77777777777778 0.33333333333333 167.259 > 82 100 Er 0.11111111111111 0.22222222222222 0.66666666666667 167.259 > 82 101 Er 0.44444444444444 0.22222222222222 0.66666666666667 167.259 > 82 102 Er 0.77777777777778 0.22222222222222 0.66666666666667 167.259 > 82 103 Er 0.11111111111111 0.55555555555556 0.66666666666667 167.259 > 82 104 Er 0.44444444444444 0.55555555555556 0.66666666666667 167.259 > 82 105 Er 0.77777777777778 0.55555555555556 0.66666666666667 167.259 > 82 106 Er 0.11111111111111 0.88888888888889 0.66666666666667 167.259 > 82 107 Er 0.44444444444444 0.88888888888889 0.66666666666667 167.259 > 82 108 Er 0.77777777777778 0.88888888888889 0.66666666666667 167.259 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.1852203 -0.0000000 0.0000000 0.0000000 8.1852203 0.0000000 0.0000000 0.0000000 6.2665715 -------------------------- Born effective charges -------------------------- 1 Li 1.2782121 0.0000000 0.0000000 0.0000000 1.2782121 0.0000000 0.0000000 0.0000000 1.7304339 2 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 3 Se -2.8836249 -0.0000000 0.0000000 0.0000000 -2.8836249 0.0000000 0.0000000 0.0000000 -2.0165602 4 Er 4.4890378 0.0000000 0.0000000 0.0000000 4.4890378 0.0000000 0.0000000 0.0000000 2.3026865 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 323, Lambda: 0.27 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 7.682 ( 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 17.022 9.828 4.447) 20.152 0.408 ( 17.803 10.279 1.767) 20.633 0.753 ( 32.334 18.668 4.224) 37.574 3.554 ( 0.516 0.298 1.055) 1.212 3.976 ( 1.539 0.888 -10.150) 10.305 4.009 ( 0.056 0.032 -0.878) 0.880 4.156 ( 7.735 4.466 -0.937) 8.981 4.722 ( -2.967 -1.713 13.740) 14.161 5.093 ( -0.923 -0.533 0.036) 1.066 5.624 ( 1.076 0.621 2.528) 2.817 7.493 ( 4.724 2.728 -52.482) 52.765 7.998 ( -14.489 -8.365 53.221) 55.789 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 17.246 9.957 3.574) 20.233 0.803 ( 17.053 9.846 0.814) 19.708 1.459 ( 29.517 17.042 1.725) 34.127 3.577 ( 1.144 0.661 1.968) 2.370 4.009 ( 0.313 0.181 -1.307) 1.355 4.013 ( 4.074 2.352 -6.150) 7.743 4.353 ( 8.899 5.138 4.986) 11.421 4.690 ( -2.822 -1.629 5.102) 6.054 5.069 ( -1.163 -0.672 -0.062) 1.344 5.663 ( 1.311 0.757 3.480) 3.795 7.360 ( -7.003 -4.043 -11.398) 13.975 7.814 ( -10.733 -6.197 7.104) 14.285 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 15.214 8.784 -0.517) 17.575 1.182 ( 16.575 9.570 2.248) 19.271 2.067 ( 24.501 14.146 -1.373) 28.325 3.620 ( 2.039 1.177 2.650) 3.545 4.015 ( 0.643 0.371 -1.228) 1.435 4.105 ( 5.106 2.948 -1.524) 6.090 4.550 ( 3.823 2.207 9.380) 10.367 4.659 ( 1.478 0.853 1.545) 2.302 5.045 ( -0.400 -0.231 -1.891) 1.946 5.697 ( 0.535 0.309 2.443) 2.520 7.088 ( -16.390 -9.463 5.575) 19.729 7.595 ( -7.194 -4.153 -16.050) 18.072 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 11.790 6.807 -1.895) 13.745 1.536 ( 14.305 8.259 0.799) 16.537 2.532 ( 17.604 10.164 -2.992) 20.547 3.689 ( 3.208 1.852 3.028) 4.785 4.028 ( 0.794 0.459 -0.852) 1.252 4.219 ( 4.529 2.615 3.781) 6.453 4.556 ( -1.316 -0.760 2.407) 2.846 4.780 ( 3.100 1.790 9.252) 9.920 5.063 ( 3.790 2.188 -3.852) 5.831 5.699 ( -0.764 -0.441 0.236) 0.913 6.688 ( -20.529 -11.853 5.556) 24.348 7.383 ( -5.721 -3.303 -22.776) 23.715 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 7.039 4.064 -2.673) 8.556 1.817 ( 10.617 6.130 -0.233) 12.261 2.839 ( 10.991 6.346 -1.440) 12.773 3.782 ( 4.082 2.357 2.870) 5.518 4.042 ( 0.665 0.384 -0.387) 0.860 4.320 ( 2.405 1.389 7.679) 8.166 4.562 ( 1.508 0.871 0.523) 1.819 4.820 ( -0.369 -0.213 3.697) 3.721 5.184 ( 6.034 3.484 1.112) 7.056 5.666 ( -1.799 -1.039 -1.729) 2.702 6.238 ( -19.763 -11.410 -0.460) 22.825 7.184 ( -4.991 -2.882 -21.103) 21.876 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 2.727 1.574 -2.152) 3.814 2.006 ( 6.364 3.674 -0.504) 7.366 3.031 ( 6.457 3.728 1.049) 7.530 3.881 ( 3.679 2.124 1.953) 4.676 4.053 ( 0.320 0.185 0.030) 0.371 4.374 ( 0.106 0.061 7.571) 7.572 4.615 ( 2.572 1.485 0.402) 2.997 4.841 ( 2.421 1.398 -0.129) 2.799 5.274 ( 0.070 0.041 2.141) 2.142 5.616 ( -1.870 -1.080 -2.239) 3.110 5.847 ( -12.945 -7.474 -4.207) 15.529 7.024 ( -3.508 -2.025 -14.787) 15.331 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.520 0.300 -0.752) 0.962 2.099 ( 2.108 1.217 -0.220) 2.444 3.135 ( 2.349 1.356 0.966) 2.879 3.947 ( 1.567 0.905 0.620) 1.913 4.057 ( 0.006 0.004 0.134) 0.134 4.387 ( -0.340 -0.197 3.004) 3.030 4.660 ( 1.069 0.617 0.401) 1.297 4.939 ( 5.710 3.297 0.889) 6.653 5.171 ( -7.423 -4.286 -1.703) 8.739 5.578 ( -0.798 -0.460 -1.008) 1.365 5.680 ( -2.119 -1.224 -1.323) 2.782 6.934 ( -1.247 -0.720 -5.302) 5.494 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -0.000 18.800 5.098) 19.479 0.423 ( -0.000 19.746 5.138) 20.403 0.787 ( -0.000 36.213 10.004) 37.570 3.543 ( -0.000 0.086 -0.971) 0.974 4.006 ( -0.000 6.271 -10.085) 11.875 4.009 ( -0.000 0.178 -0.809) 0.828 4.057 ( -0.000 7.636 -8.985) 11.791 4.781 ( 0.000 -8.592 19.630) 21.428 5.094 ( 0.000 -1.084 0.627) 1.252 5.602 ( -0.000 0.252 -1.462) 1.484 7.279 ( -0.000 14.011 -50.841) 52.736 8.255 ( 0.000 -24.962 58.732) 63.817 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 10.175 16.482 3.923) 19.763 0.714 ( 9.590 16.688 4.259) 19.713 1.306 ( 15.962 30.183 6.023) 34.671 3.563 ( 2.000 0.332 0.192) 2.037 3.924 ( -1.261 0.370 -3.410) 3.655 4.095 ( -1.081 8.201 -5.857) 10.136 4.222 ( 12.318 3.802 -1.274) 12.954 4.736 ( -2.633 -4.807 8.676) 10.262 5.079 ( -0.809 -1.006 0.851) 1.546 5.632 ( 2.931 -0.606 0.465) 3.029 7.264 ( 3.219 -1.208 -24.517) 24.757 8.056 ( -15.912 -11.991 27.371) 33.855 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 11.937 13.499 0.829) 18.039 1.068 ( 12.451 14.595 3.921) 19.581 1.873 ( 18.472 22.754 1.166) 29.331 3.611 ( 2.138 1.454 1.689) 3.088 3.935 ( 3.485 -1.078 -1.266) 3.862 4.146 ( -0.379 8.958 -4.444) 10.007 4.471 ( 11.798 3.464 4.928) 13.247 4.668 ( -2.647 -3.431 2.703) 5.107 5.055 ( -1.367 -0.558 -0.182) 1.487 5.671 ( 2.252 -1.680 1.399) 3.139 7.160 ( -3.109 -9.500 -7.907) 12.745 7.735 ( -17.801 -5.588 3.522) 18.987 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 11.023 9.905 -1.284) 14.875 1.425 ( 12.127 13.439 2.284) 18.245 2.350 ( 16.315 15.228 -2.120) 22.418 3.676 ( 2.467 2.549 2.538) 4.362 3.991 ( 3.395 0.345 -0.302) 3.426 4.231 ( 1.822 7.940 -0.361) 8.155 4.581 ( -2.058 -2.555 3.610) 4.878 4.730 ( 9.122 1.979 6.946) 11.635 5.029 ( -0.101 0.632 -3.476) 3.535 5.678 ( 0.858 -3.031 0.477) 3.185 6.908 ( -13.585 -12.210 3.622) 18.621 7.409 ( -12.639 -2.912 -15.767) 20.417 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 8.186 6.132 -2.691) 10.576 1.736 ( 9.524 11.831 0.664) 15.202 2.698 ( 12.632 8.482 -2.085) 15.358 3.761 ( 3.208 3.334 2.763) 5.389 4.040 ( 1.084 2.106 -0.554) 2.433 4.349 ( 2.274 6.579 4.680) 8.388 4.549 ( 0.118 -1.128 1.105) 1.584 4.837 ( -0.013 -1.242 5.606) 5.742 5.097 ( 7.410 2.680 -1.446) 8.011 5.647 ( -0.220 -3.956 -0.939) 4.071 6.515 ( -21.479 -8.546 2.817) 23.288 7.155 ( -6.152 -4.023 -20.818) 22.078 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 4.537 2.791 -2.873) 6.052 1.970 ( 5.635 9.754 -0.231) 11.267 2.934 ( 9.063 3.926 -0.094) 9.877 3.861 ( 3.342 3.712 2.267) 5.485 4.066 ( -0.369 2.364 -0.224) 2.403 4.435 ( -1.314 4.278 6.805) 8.145 4.580 ( 3.196 1.054 0.005) 3.366 4.825 ( 0.195 -0.098 0.213) 0.305 5.229 ( 5.160 -1.312 0.950) 5.408 5.603 ( -0.273 -2.426 -0.850) 2.585 6.090 ( -21.255 -2.785 -2.268) 21.556 6.979 ( -2.125 -4.649 -15.867) 16.670 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.809 0.832 -1.883) 2.740 2.111 ( 1.432 7.430 -0.272) 7.572 3.079 ( 5.325 0.767 0.131) 5.381 3.950 ( 1.859 3.906 1.015) 4.443 4.072 ( -1.121 1.394 0.275) 1.810 4.442 ( -3.226 2.585 2.994) 5.104 4.644 ( 2.089 1.153 0.695) 2.485 4.880 ( 4.873 2.746 0.541) 5.620 5.202 ( -2.884 -7.013 -2.594) 8.015 5.605 ( 0.040 2.595 1.393) 2.945 5.784 ( -12.358 1.500 -2.961) 12.796 6.889 ( 1.142 -3.878 -6.897) 7.995 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.522 0.033 -0.537) 0.750 2.160 ( -2.783 5.048 0.158) 5.766 3.122 ( 0.923 -2.149 -1.999) 3.077 3.990 ( -2.087 3.180 -0.194) 3.809 4.063 ( -0.434 0.301 -0.156) 0.551 4.417 ( -2.912 3.186 -1.897) 4.715 4.665 ( -0.223 -0.208 -0.296) 0.425 4.985 ( -1.362 -1.143 0.645) 1.892 5.089 ( 3.517 -0.744 -0.130) 3.598 5.626 ( -3.764 4.599 0.369) 5.954 5.692 ( -0.044 2.922 1.031) 3.099 6.895 ( 4.019 -2.616 3.271) 5.805 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.782 -0.832 0.815) 1.403 2.116 ( -7.087 2.585 0.647) 7.571 3.061 ( -2.908 -4.333 -3.136) 6.088 3.938 ( -4.859 -0.066 -1.303) 5.031 4.067 ( -0.476 1.610 -0.724) 1.828 4.395 ( -2.681 4.389 -5.564) 7.577 4.635 ( -1.825 -1.485 -1.211) 2.646 4.882 ( -4.449 -2.413 1.011) 5.161 5.219 ( 5.594 -0.323 0.642) 5.640 5.602 ( -0.856 0.136 0.912) 1.258 5.817 ( 5.499 11.283 3.106) 12.930 6.992 ( 6.418 -1.344 12.331) 13.967 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -4.150 -2.554 1.692) 5.159 1.975 ( -11.514 -0.131 0.739) 11.539 2.929 ( -6.290 -5.643 -1.106) 8.523 3.837 ( -5.278 -1.183 -2.249) 5.858 4.064 ( -1.530 1.603 -0.630) 2.304 4.366 ( -3.911 4.766 -6.341) 8.844 4.577 ( -2.173 -2.115 -0.654) 3.102 4.815 ( -1.783 -1.103 -1.469) 2.560 5.218 ( -2.370 -3.703 -1.007) 4.511 5.620 ( 2.812 -1.694 2.311) 4.015 6.108 ( 12.159 14.986 1.254) 19.339 7.161 ( 7.905 -0.114 18.233) 19.874 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -9.416 -4.403 1.463) 10.497 1.733 ( -15.618 -2.793 0.117) 15.866 2.719 ( -12.450 -6.730 1.836) 14.271 3.734 ( -4.702 -0.872 -2.484) 5.389 4.039 ( -2.118 -0.088 -0.755) 2.250 4.308 ( -5.944 4.208 -3.012) 7.881 4.538 ( 0.011 -0.880 -0.978) 1.316 4.765 ( -1.557 -2.075 -7.497) 7.933 5.118 ( -4.116 -3.265 2.071) 5.648 5.658 ( 2.786 -2.212 1.057) 3.711 6.485 ( 15.987 13.236 -2.835) 20.948 7.369 ( 8.094 1.110 19.557) 21.195 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -14.435 -5.118 0.642) 15.328 1.408 ( -18.578 -4.305 -0.873) 19.090 2.373 ( -21.857 -7.274 2.220) 23.142 3.650 ( -3.490 -0.332 -2.196) 4.137 3.989 ( -1.441 -2.967 -0.683) 3.368 4.243 ( -6.627 4.981 1.843) 8.492 4.535 ( -0.310 -0.780 -5.026) 5.096 4.663 ( -2.513 -3.733 -5.504) 7.110 5.061 ( -1.435 -0.654 2.574) 3.019 5.671 ( 1.195 -2.059 -0.866) 2.533 6.860 ( 17.254 8.840 -5.179) 20.066 7.578 ( 7.216 2.218 15.790) 17.502 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -19.310 -3.967 -0.298) 19.715 1.041 ( -18.795 -3.739 -1.040) 19.191 1.870 ( -30.520 -5.894 0.606) 31.090 3.594 ( -2.245 -0.112 -1.391) 2.643 3.944 ( 0.250 -3.446 0.368) 3.475 4.194 ( -6.950 5.733 4.462) 10.054 4.405 ( -6.735 -5.335 -7.365) 11.317 4.649 ( 2.092 0.070 -0.788) 2.237 5.059 ( 0.427 0.187 0.586) 0.749 5.655 ( -0.409 -1.352 -1.612) 2.143 7.188 ( 16.092 3.657 -2.638) 16.712 7.753 ( 5.777 2.477 7.070) 9.460 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -20.396 0.000 0.000) 20.396 0.694 ( -20.071 0.000 0.000) 20.071 1.273 ( -35.996 0.000 0.000) 35.996 3.562 ( -1.195 0.000 0.000) 1.195 3.943 ( 1.606 -0.000 -0.000) 1.606 4.132 ( -6.272 0.000 0.000) 6.272 4.231 ( -7.210 0.000 0.000) 7.210 4.680 ( 1.541 -0.000 -0.000) 1.541 5.076 ( 1.218 -0.000 -0.000) 1.218 5.630 ( -1.111 0.000 0.000) 1.111 7.448 ( 12.945 -0.000 -0.000) 12.945 7.856 ( 3.557 -0.000 -0.000) 3.557 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -0.000 19.305 4.192) 19.755 0.830 ( -0.000 18.626 4.358) 19.129 1.524 ( -0.000 33.370 6.869) 34.070 3.541 ( -0.000 0.647 -1.322) 1.472 4.005 ( -0.000 0.272 -1.681) 1.703 4.078 ( -0.000 5.071 -1.754) 5.365 4.164 ( -0.000 9.165 -7.899) 12.099 4.730 ( 0.000 -5.887 5.901) 8.335 5.081 ( 0.000 -0.806 1.508) 1.710 5.601 ( -0.000 1.086 -2.059) 2.327 7.143 ( -0.000 -4.349 -15.623) 16.217 8.159 ( 0.000 -13.773 22.410) 26.304 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 5.204 17.500 2.492) 18.427 1.072 ( 6.922 17.163 4.240) 18.986 1.917 ( 7.273 28.377 3.127) 29.461 3.577 ( 3.316 1.294 -0.248) 3.568 3.929 ( -3.156 1.539 -1.440) 3.795 4.220 ( -0.019 8.153 -4.520) 9.322 4.288 ( 13.240 3.592 -0.513) 13.728 4.675 ( -1.688 -5.109 2.379) 5.883 5.073 ( -0.997 -0.166 0.868) 1.332 5.624 ( 1.742 0.357 -1.112) 2.098 7.039 ( 0.599 -10.955 -7.998) 13.577 7.982 ( -13.571 -8.552 10.716) 19.291 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 6.592 13.001 0.355) 14.581 1.398 ( 9.782 16.609 3.354) 19.566 2.298 ( 9.152 19.980 -1.001) 22.000 3.660 ( 3.577 2.564 1.609) 4.686 3.942 ( 2.800 2.113 -0.808) 3.600 4.286 ( 0.462 8.147 -2.988) 8.690 4.551 ( 12.686 1.137 5.149) 13.739 4.606 ( -0.615 -3.547 -0.133) 3.602 5.048 ( -2.027 0.513 -1.463) 2.552 5.640 ( 0.637 -1.306 -0.172) 1.463 6.886 ( -1.781 -14.525 -3.563) 15.062 7.652 ( -19.782 -3.724 -1.183) 20.165 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 6.293 8.548 -1.732) 10.755 1.724 ( 8.814 15.643 2.070) 18.074 2.598 ( 9.269 11.406 -1.942) 14.826 3.751 ( 3.082 3.356 2.729) 5.311 4.027 ( 3.583 3.259 -1.651) 5.117 4.384 ( 2.770 7.624 0.659) 8.138 4.548 ( -1.228 -1.828 1.034) 2.433 4.784 ( 8.999 -1.593 6.572) 11.257 5.023 ( 0.692 1.511 -4.792) 5.072 5.620 ( -0.740 -2.045 0.292) 2.194 6.673 ( -6.975 -12.981 -0.291) 14.739 7.271 ( -18.856 -1.730 -11.342) 22.072 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 4.573 4.537 -2.740) 7.001 1.997 ( 5.539 14.288 0.768) 15.344 2.824 ( 8.727 5.291 -0.093) 10.206 3.849 ( 3.360 3.549 3.044) 5.758 4.093 ( 0.980 3.665 -2.061) 4.318 4.520 ( 3.315 7.046 3.515) 8.543 4.532 ( 0.063 -0.220 0.302) 0.379 4.832 ( -0.797 -1.232 1.776) 2.304 5.094 ( 7.156 -2.325 -3.593) 8.338 5.597 ( -0.493 0.225 1.534) 1.627 6.392 ( -15.720 -5.773 0.812) 16.767 6.952 ( -9.330 -3.770 -14.756) 17.860 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.571 1.908 -2.399) 4.000 2.186 ( 1.400 12.333 0.156) 12.413 2.989 ( 6.536 1.408 0.779) 6.731 3.951 ( 3.240 3.765 2.506) 5.564 4.117 ( -1.336 2.846 -1.166) 3.353 4.532 ( -1.607 2.372 -0.855) 2.990 4.629 ( 1.503 3.477 3.665) 5.271 4.840 ( 2.412 2.125 -0.258) 3.225 5.116 ( 2.694 -7.286 -5.359) 9.437 5.633 ( 1.089 4.036 3.031) 5.163 6.070 ( -18.661 1.300 -1.036) 18.735 6.794 ( 0.296 -5.603 -8.205) 9.939 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.168 0.682 -1.399) 1.946 2.284 ( -2.770 10.095 0.418) 10.477 3.065 ( 2.613 -1.740 -1.119) 3.333 4.040 ( 1.877 4.226 1.028) 4.737 4.090 ( -3.429 0.511 -0.857) 3.571 4.515 ( -3.596 5.053 -2.733) 6.777 4.665 ( -0.211 0.261 1.193) 1.240 4.948 ( 5.718 2.700 1.717) 6.553 5.040 ( -0.419 -5.603 -3.925) 6.854 5.717 ( 1.851 5.840 2.345) 6.560 5.821 ( -13.205 4.154 -0.908) 13.872 6.781 ( 5.452 -5.193 1.149) 7.617 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.199 -0.057 -0.322) 0.383 2.290 ( -7.083 7.720 1.080) 10.532 3.038 ( -1.057 -4.167 -3.520) 5.556 4.009 ( -4.551 -2.027 -1.706) 5.266 4.100 ( -0.264 4.915 -0.267) 4.930 4.498 ( -4.075 7.132 -3.971) 9.123 4.640 ( -1.498 -1.878 -1.285) 2.724 4.935 ( -3.453 -2.469 0.747) 4.310 5.113 ( 6.899 0.204 2.424) 7.315 5.674 ( -6.653 1.360 -0.838) 6.842 5.857 ( 3.767 11.042 1.991) 11.836 6.873 ( 8.617 -4.234 9.072) 13.209 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -1.727 -1.113 0.542) 2.125 2.199 ( -11.753 4.772 1.381) 12.760 2.942 ( -3.030 -5.163 -3.341) 6.856 3.900 ( -4.726 -2.388 -2.028) 5.671 4.125 ( -2.164 4.806 -0.743) 5.323 4.484 ( -4.570 7.732 -4.467) 10.031 4.583 ( -1.801 -2.775 -1.199) 3.518 4.856 ( -4.312 -1.317 1.286) 4.689 5.183 ( 1.993 -3.438 0.962) 4.089 5.605 ( -2.087 -0.283 0.852) 2.272 6.085 ( 8.301 13.340 0.293) 15.714 7.043 ( 10.781 -2.926 13.672) 17.655 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -5.841 -2.167 0.707) 6.269 1.997 ( -16.115 1.361 0.802) 16.192 2.817 ( -5.794 -4.574 -0.733) 7.419 3.797 ( -4.583 -1.379 -1.634) 5.057 4.109 ( -4.338 3.263 -0.842) 5.493 4.454 ( -5.670 5.649 -2.328) 8.335 4.533 ( -0.987 -0.870 -0.159) 1.325 4.766 ( -4.212 -2.390 -3.355) 5.892 5.141 ( -1.911 -3.657 0.880) 4.219 5.600 ( 1.563 -1.466 1.473) 2.601 6.372 ( 11.465 11.047 -1.555) 15.997 7.261 ( 11.487 -1.199 13.409) 17.697 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -11.080 -2.041 0.293) 11.271 1.702 ( -19.118 -0.697 0.053) 19.131 2.629 ( -13.213 -2.977 0.817) 13.569 3.709 ( -4.292 -0.370 -0.967) 4.415 4.035 ( -5.714 0.302 -0.822) 5.781 4.402 ( -5.276 3.747 1.783) 6.713 4.534 ( -0.695 2.183 -0.220) 2.302 4.642 ( -3.424 -5.113 -5.964) 8.570 5.089 ( -1.767 -1.137 1.391) 2.520 5.623 ( 2.086 -1.337 0.345) 2.502 6.659 ( 13.816 5.631 -2.006) 15.054 7.483 ( 10.530 0.201 8.252) 13.379 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -15.501 0.000 0.000) 15.501 1.362 ( -20.491 0.000 0.000) 20.491 2.307 ( -23.483 0.000 0.000) 23.483 3.640 ( -3.488 0.000 0.000) 3.488 3.952 ( -3.184 0.000 0.000) 3.184 4.347 ( -5.523 0.000 0.000) 5.523 4.464 ( -6.288 0.000 0.000) 6.288 4.609 ( 2.282 -0.000 -0.000) 2.282 5.065 ( -0.865 0.000 0.000) 0.865 5.642 ( 0.908 -0.000 -0.000) 0.908 6.931 ( 15.823 -0.000 -0.000) 15.823 7.660 ( 8.328 -0.000 -0.000) 8.328 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.000 16.193 2.803) 16.434 1.198 ( -0.000 19.000 3.035) 19.241 2.151 ( -0.000 27.343 2.271) 27.437 3.555 ( -0.000 1.817 -1.060) 2.104 3.999 ( -0.000 0.616 -1.997) 2.089 4.162 ( -0.000 3.160 1.886) 3.680 4.293 ( -0.000 9.012 -5.853) 10.746 4.643 ( 0.000 -5.040 0.838) 5.109 5.087 ( -0.000 0.613 0.559) 0.829 5.621 ( -0.000 2.310 -1.716) 2.878 6.890 ( 0.000 -14.656 -3.710) 15.118 8.047 ( 0.000 -8.515 7.689) 11.472 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 2.154 13.579 1.224) 13.803 1.441 ( 6.049 17.768 2.666) 18.958 2.410 ( 1.861 20.973 -0.845) 21.072 3.616 ( 4.495 2.902 -0.008) 5.351 3.955 ( -2.319 1.813 -0.904) 3.080 4.309 ( 8.080 1.137 0.911) 8.210 4.380 ( 4.684 7.707 -2.202) 9.283 4.593 ( -0.950 -3.458 0.229) 3.594 5.084 ( -1.493 1.289 -1.052) 2.236 5.639 ( -0.220 1.890 -0.835) 2.078 6.728 ( 0.325 -17.032 -2.331) 17.193 7.888 ( -12.010 -5.719 2.015) 13.454 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.898 9.561 -0.837) 10.025 1.744 ( 8.596 16.597 2.353) 18.839 2.606 ( 3.024 12.739 -2.169) 13.271 3.735 ( 4.464 3.848 1.931) 6.202 3.979 ( 3.281 2.037 -2.000) 4.350 4.410 ( 2.553 5.017 -0.371) 5.642 4.540 ( 2.830 -2.881 -0.807) 4.118 4.604 ( 8.708 2.461 3.688) 9.771 5.054 ( -2.821 1.814 -3.264) 4.680 5.638 ( -1.444 1.120 0.760) 1.979 6.562 ( 0.391 -15.991 -2.865) 16.251 7.572 ( -19.623 -2.915 -3.548) 20.153 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.873 5.589 -2.291) 6.689 2.046 ( 7.229 15.832 1.640) 17.481 2.759 ( 5.243 6.153 -0.374) 8.093 3.842 ( 3.009 3.653 3.698) 6.007 4.064 ( 4.811 2.252 -3.947) 6.618 4.483 ( 1.637 0.377 0.475) 1.746 4.575 ( 3.058 4.539 0.666) 5.514 4.772 ( 7.041 -1.507 2.385) 7.585 5.013 ( -1.658 1.327 -5.495) 5.891 5.633 ( -1.199 2.205 2.564) 3.588 6.419 ( -0.301 -11.832 -2.070) 12.016 7.176 ( -21.784 -1.348 -7.677) 23.136 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.337 2.800 -2.440) 4.388 2.286 ( 3.090 14.687 0.701) 15.025 2.900 ( 6.274 1.906 1.631) 6.757 3.940 ( 3.217 3.235 4.248) 6.234 4.138 ( 2.004 2.828 -3.252) 4.753 4.503 ( 2.441 -1.089 -1.869) 3.261 4.689 ( 1.966 5.332 3.519) 6.684 4.831 ( 1.710 1.038 -0.171) 2.007 4.981 ( 1.135 -3.300 -7.743) 8.493 5.669 ( 0.626 4.067 2.995) 5.090 6.298 ( -5.607 -4.564 1.544) 7.393 6.810 ( -14.240 -2.528 -8.632) 16.843 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 1.529 1.355 -1.726) 2.674 2.436 ( -1.355 12.814 0.627) 12.901 2.997 ( 3.768 -1.129 0.873) 4.029 4.038 ( 2.734 3.002 2.919) 5.000 4.150 ( -2.019 1.722 -1.286) 2.949 4.538 ( 2.917 0.655 -4.142) 5.109 4.732 ( -3.437 3.906 3.381) 6.205 4.891 ( 3.658 0.836 -1.696) 4.118 4.947 ( 3.004 -2.830 -5.302) 6.718 5.741 ( 1.895 4.289 1.135) 4.824 6.121 ( -15.152 3.758 2.016) 15.741 6.649 ( 1.927 -5.834 -1.942) 6.444 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.671 0.601 -0.846) 1.236 2.495 ( -5.612 10.683 1.432) 12.152 3.001 ( -0.239 -3.701 -1.789) 4.117 4.043 ( -3.451 -2.038 -2.231) 4.587 4.159 ( 0.023 4.928 2.039) 5.333 4.567 ( 0.977 1.182 -5.184) 5.406 4.691 ( -5.437 3.331 0.098) 6.377 4.925 ( 2.469 -2.271 -1.291) 3.595 5.021 ( 5.398 1.073 1.929) 5.832 5.792 ( -2.656 1.948 -1.002) 3.443 5.964 ( -7.019 8.854 1.315) 11.375 6.700 ( 8.831 -5.712 5.496) 11.866 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.426 -0.063 -0.133) 0.450 2.457 ( -10.655 7.666 2.028) 13.282 2.923 ( -2.156 -4.833 -3.352) 6.265 3.939 ( -4.211 -2.693 -2.162) 5.445 4.208 ( -1.286 5.291 0.836) 5.509 4.553 ( -0.348 -1.641 -4.034) 4.369 4.641 ( -5.128 5.369 -0.880) 7.476 4.914 ( -2.184 -0.666 1.116) 2.541 5.110 ( 3.881 -2.009 2.215) 4.900 5.689 ( -7.170 0.656 -0.442) 7.213 6.076 ( 5.785 9.565 -0.487) 11.189 6.852 ( 11.918 -4.210 8.460) 15.210 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -2.716 -0.531 0.170) 2.773 2.291 ( -15.637 2.907 1.024) 15.938 2.839 ( -2.215 -2.835 -1.664) 3.964 3.847 ( -3.769 -1.311 -1.051) 4.127 4.214 ( -3.595 3.433 0.058) 4.971 4.508 ( -1.230 -1.992 -1.606) 2.839 4.609 ( -4.226 4.493 -0.868) 6.229 4.841 ( -6.217 -0.861 0.360) 6.287 5.123 ( 0.403 -2.507 0.701) 2.635 5.605 ( -2.829 -0.117 0.392) 2.858 6.281 ( 9.131 6.049 -0.910) 10.990 7.066 ( 13.556 -1.836 6.370) 15.090 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -6.667 0.000 0.000) 6.667 2.017 ( -18.234 0.000 0.000) 18.234 2.766 ( -5.385 0.000 0.000) 5.385 3.775 ( -4.012 0.000 0.000) 4.012 4.147 ( -6.223 0.000 0.000) 6.223 4.471 ( -1.939 0.000 0.000) 1.939 4.582 ( -1.642 0.000 0.000) 1.642 4.702 ( -8.458 0.000 0.000) 8.458 5.106 ( -0.866 0.000 0.000) 0.866 5.590 ( 0.787 -0.000 -0.000) 0.787 6.478 ( 11.036 -0.000 -0.000) 11.036 7.297 ( 13.016 -0.000 -0.000) 13.016 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.000 11.965 0.366) 11.970 1.563 ( -0.000 16.642 1.756) 16.735 2.584 ( -0.000 16.857 -2.457) 17.035 3.601 ( -0.000 3.599 -0.410) 3.622 4.006 ( -0.000 1.319 -1.363) 1.896 4.202 ( 0.000 -1.577 3.216) 3.582 4.438 ( -0.000 8.561 -1.790) 8.746 4.577 ( 0.000 -0.821 -0.076) 0.824 5.109 ( -0.000 1.997 -1.883) 2.744 5.665 ( -0.000 3.146 -0.989) 3.298 6.544 ( 0.000 -18.533 -1.327) 18.581 7.937 ( 0.000 -5.897 0.617) 5.929 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.442 8.541 -1.199) 8.636 1.776 ( 6.227 14.906 1.375) 16.213 2.698 ( -0.583 10.235 -3.352) 10.786 3.690 ( 5.247 4.582 0.272) 6.971 3.978 ( -2.052 0.904 -0.294) 2.261 4.288 ( 9.717 -3.682 1.412) 10.487 4.496 ( 0.010 2.014 -0.308) 2.037 4.614 ( 1.187 8.081 1.182) 8.253 5.106 ( -1.887 2.422 -3.102) 4.364 5.683 ( -1.155 2.829 0.066) 3.056 6.372 ( 1.349 -17.245 -2.314) 17.451 7.788 ( -10.884 -4.607 -1.932) 11.976 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.941 4.916 -2.443) 5.570 2.055 ( 9.382 13.841 1.333) 16.774 2.761 ( 1.106 4.818 -1.589) 5.193 3.834 ( 4.886 4.907 2.358) 7.315 3.982 ( 2.943 -0.121 -1.971) 3.545 4.429 ( 10.199 -3.298 0.662) 10.739 4.492 ( 0.084 -0.788 -1.230) 1.463 4.744 ( 1.984 9.387 1.750) 9.752 5.072 ( -3.537 2.552 -3.967) 5.896 5.689 ( -1.443 2.730 1.946) 3.650 6.251 ( 3.298 -13.359 -3.111) 14.107 7.489 ( -18.586 -2.845 -4.104) 19.246 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 1.591 2.514 -2.576) 3.935 2.341 ( 7.704 13.407 0.710) 15.480 2.832 ( 4.119 1.098 1.248) 4.442 3.942 ( 2.205 3.163 5.291) 6.547 4.069 ( 6.792 1.783 -4.073) 8.118 4.467 ( -0.238 -1.016 -1.136) 1.543 4.577 ( 10.387 -4.331 -0.986) 11.297 4.847 ( 0.277 7.579 -0.138) 7.585 5.009 ( -4.827 1.987 -4.436) 6.850 5.709 ( -0.240 2.866 2.196) 3.618 6.211 ( 5.187 -8.021 -0.525) 9.567 7.107 ( -21.925 -1.288 -5.070) 22.541 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.767 1.353 -1.841) 2.888 2.556 ( 2.606 12.462 -0.017) 12.732 2.918 ( 4.891 -1.499 2.416) 5.657 4.033 ( 3.087 2.877 5.305) 6.778 4.163 ( 2.290 2.001 -2.452) 3.906 4.464 ( 2.511 -1.110 -2.893) 3.988 4.687 ( 8.909 -4.879 -1.488) 10.266 4.906 ( -3.536 5.614 -2.763) 7.187 4.929 ( -1.846 2.160 -2.205) 3.596 5.746 ( 1.287 2.067 0.197) 2.442 6.255 ( 3.764 -1.754 4.340) 6.006 6.727 ( -18.324 -1.459 -4.642) 18.959 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 1.259 0.745 -0.939) 1.738 2.673 ( -2.067 10.784 0.676) 11.001 2.955 ( 1.428 -3.829 0.559) 4.125 4.086 ( -3.022 0.631 0.116) 3.090 4.190 ( 1.753 2.247 2.278) 3.648 4.501 ( 3.550 -1.399 -4.169) 5.652 4.793 ( 8.557 -2.608 0.175) 8.947 4.829 ( -5.518 3.760 -3.732) 7.649 4.979 ( 1.921 2.066 0.499) 2.865 5.796 ( 2.438 1.572 -0.903) 3.038 6.239 ( -12.480 5.966 2.979) 14.150 6.533 ( 3.456 -5.838 0.459) 6.800 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.384 0.250 -0.280) 0.537 2.696 ( -7.288 7.966 1.837) 10.952 2.899 ( -1.628 -5.092 -1.824) 5.649 3.991 ( -5.414 -1.285 -1.279) 5.710 4.259 ( 1.041 3.109 1.929) 3.803 4.509 ( 1.409 -2.109 -2.935) 3.879 4.770 ( -5.026 3.404 -0.897) 6.136 4.899 ( 4.187 -0.360 -0.046) 4.202 5.035 ( 3.833 -0.486 1.201) 4.046 5.808 ( -4.019 0.539 -0.515) 4.088 6.113 ( -4.504 4.833 -0.195) 6.610 6.641 ( 11.096 -3.214 3.424) 12.048 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.752 0.000 0.000) 0.752 2.560 ( -13.462 0.000 0.000) 13.462 2.845 ( -1.131 0.000 0.000) 1.131 3.902 ( -4.089 0.000 0.000) 4.089 4.276 ( -1.477 0.000 0.000) 1.477 4.503 ( -0.010 0.000 0.000) 0.010 4.705 ( -4.754 0.000 0.000) 4.754 4.913 ( -1.998 0.000 0.000) 1.998 5.091 ( 2.380 -0.000 -0.000) 2.380 5.693 ( -7.336 0.000 0.000) 7.336 6.174 ( 6.441 -0.000 -0.000) 6.441 6.838 ( 13.237 -0.000 -0.000) 13.237 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.000 5.923 -2.492) 6.426 1.851 ( -0.000 12.005 0.531) 12.017 2.767 ( -0.000 5.065 -4.337) 6.668 3.691 ( -0.000 5.561 0.484) 5.582 4.029 ( -0.000 1.653 -0.462) 1.717 4.145 ( 0.000 -5.651 2.913) 6.358 4.506 ( -0.000 0.041 -0.672) 0.673 4.712 ( -0.000 12.234 2.317) 12.452 5.136 ( -0.000 2.684 -3.449) 4.370 5.722 ( -0.000 3.051 -0.371) 3.073 6.186 ( 0.000 -16.265 -2.297) 16.426 7.825 ( 0.000 -4.994 -2.366) 5.526 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.166 2.801 -3.283) 4.318 2.024 ( 7.597 9.937 0.330) 12.513 2.777 ( -0.009 1.074 -3.054) 3.237 3.795 ( 5.027 5.787 0.530) 7.684 3.985 ( -2.977 -0.459 1.419) 3.329 4.214 ( 9.504 -3.987 0.554) 10.322 4.495 ( -0.559 -0.499 -1.092) 1.324 4.844 ( 0.015 11.961 2.542) 12.229 5.132 ( -2.030 2.641 -3.542) 4.862 5.740 ( -0.987 2.455 0.654) 2.726 6.058 ( 2.868 -12.696 -2.899) 13.334 7.685 ( -9.893 -4.111 -3.106) 11.154 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.909 1.056 -2.914) 3.229 2.284 ( 11.671 8.991 0.334) 14.736 2.786 ( 2.044 -0.822 -0.533) 2.267 3.954 ( 7.280 4.331 -1.422) 8.590 3.966 ( 0.028 0.718 4.028) 4.091 4.343 ( 10.474 -4.519 -1.414) 11.495 4.471 ( -1.040 -0.646 -1.458) 1.904 4.941 ( -1.417 8.851 0.961) 9.015 5.095 ( -3.928 2.333 -3.198) 5.577 5.744 ( -0.898 1.044 1.157) 1.799 6.030 ( 6.418 -7.059 -1.519) 9.660 7.410 ( -17.196 -2.474 -3.279) 17.680 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 1.922 0.586 -1.816) 2.709 2.558 ( 9.830 8.590 -0.555) 13.066 2.829 ( 4.191 -2.056 1.877) 5.031 4.010 ( 3.944 0.234 3.200) 5.084 4.114 ( 5.257 4.757 -0.054) 7.090 4.437 ( -0.355 -1.487 -0.520) 1.614 4.463 ( 9.469 -4.472 -4.048) 11.227 4.980 ( -1.897 4.825 -0.010) 5.184 5.027 ( -5.274 2.481 -2.680) 6.415 5.742 ( 0.239 -0.198 -0.206) 0.372 6.119 ( 8.869 -2.270 1.727) 9.316 7.058 ( -21.071 -0.897 -2.639) 21.255 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.982 0.371 -0.713) 2.138 2.753 ( 4.151 7.983 -1.193) 9.076 2.878 ( 3.399 -4.201 2.178) 5.826 4.115 ( 5.106 1.673 3.844) 6.607 4.178 ( -1.151 0.736 -1.518) 2.042 4.429 ( 1.718 -0.508 -1.598) 2.400 4.585 ( 11.104 -2.773 -2.214) 11.658 4.938 ( -4.830 1.152 -1.061) 5.077 4.998 ( -1.436 2.500 -0.238) 2.893 5.759 ( 2.173 0.033 -0.557) 2.243 6.273 ( 9.333 0.122 2.668) 9.708 6.685 ( -21.126 -0.562 -1.660) 21.198 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.259 -0.000 -0.000) 1.259 2.843 ( -2.787 0.000 0.000) 2.787 2.860 ( 1.345 -0.000 -0.000) 1.345 4.087 ( -6.489 0.000 0.000) 6.489 4.232 ( 4.548 -0.000 -0.000) 4.548 4.460 ( 2.365 -0.000 -0.000) 2.365 4.762 ( 10.869 -0.000 -0.000) 10.869 4.865 ( -4.658 0.000 0.000) 4.658 5.000 ( 0.580 -0.000 -0.000) 0.580 5.805 ( 2.842 -0.000 -0.000) 2.842 6.341 ( -17.859 0.000 0.000) 17.859 6.449 ( 10.343 -0.000 -0.000) 10.343 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.000 0.349 -3.851) 3.867 2.032 ( -0.000 6.646 -0.170) 6.648 2.759 ( 0.000 -2.057 -2.959) 3.604 3.812 ( -0.000 5.967 1.070) 6.062 4.055 ( -0.000 0.938 -0.103) 0.944 4.061 ( 0.000 -4.196 2.217) 4.746 4.489 ( 0.000 -0.807 -1.237) 1.477 4.971 ( -0.000 11.204 2.716) 11.528 5.162 ( -0.000 2.345 -2.954) 3.772 5.772 ( -0.000 2.100 -0.045) 2.101 5.908 ( 0.000 -10.384 -2.410) 10.660 7.717 ( 0.000 -4.039 -2.770) 4.898 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.498 -0.584 -2.945) 3.043 2.165 ( 9.101 4.682 -0.131) 10.235 2.736 ( 1.401 -2.517 -1.514) 3.254 3.897 ( 3.017 3.625 -0.156) 4.719 4.002 ( -0.802 1.327 3.388) 3.726 4.149 ( 7.415 -2.760 -1.192) 8.001 4.473 ( -0.449 -0.714 -1.112) 1.395 5.057 ( -1.811 7.491 1.228) 7.804 5.157 ( -2.127 2.008 -1.873) 3.474 5.767 ( -1.408 -0.940 0.118) 1.697 5.870 ( 5.091 -4.100 -1.414) 6.688 7.596 ( -9.054 -2.744 -2.245) 9.723 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.784 -0.193 -1.321) 2.229 2.404 ( 13.849 3.169 -0.104) 14.207 2.754 ( 3.233 -1.402 0.007) 3.524 3.949 ( 2.766 -0.186 -0.189) 2.778 4.093 ( 4.255 4.993 3.510) 7.440 4.243 ( 8.852 -4.149 -2.694) 10.140 4.452 ( -1.124 -0.364 -0.751) 1.400 5.066 ( -3.182 3.101 0.204) 4.448 5.116 ( -4.012 1.368 -1.188) 4.402 5.736 ( -0.517 -1.165 -0.199) 1.290 5.961 ( 8.101 -0.794 0.247) 8.143 7.358 ( -16.139 -1.042 -1.269) 16.223 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.333 -0.000 -0.000) 2.333 2.647 ( 12.016 -0.000 -0.000) 12.016 2.806 ( 3.409 -0.000 -0.000) 3.409 4.019 ( 5.807 -0.000 -0.000) 5.807 4.187 ( 2.097 -0.000 -0.000) 2.097 4.378 ( 10.764 -0.000 -0.000) 10.764 4.426 ( -1.275 0.000 0.000) 1.275 5.016 ( -4.242 0.000 0.000) 4.242 5.056 ( -3.510 0.000 0.000) 3.510 5.731 ( 0.741 -0.000 -0.000) 0.741 6.111 ( 9.745 -0.000 -0.000) 9.745 7.039 ( -20.605 0.000 0.000) 20.605 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 -0.920 -1.873) 2.087 2.113 ( -0.000 2.044 -0.158) 2.051 2.694 ( 0.000 -2.013 -0.973) 2.236 3.913 ( -0.000 3.022 0.673) 3.096 4.023 ( 0.000 -1.083 0.829) 1.364 4.060 ( 0.000 -0.147 -0.143) 0.205 4.467 ( 0.000 -0.485 -0.629) 0.794 5.129 ( -0.000 3.182 -0.161) 3.186 5.194 ( -0.000 2.136 0.101) 2.138 5.761 ( 0.000 -3.465 -0.975) 3.599 5.800 ( -0.000 0.729 0.019) 0.729 7.644 ( 0.000 -1.667 -1.209) 2.060 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.083 -0.000 -0.000) 1.083 2.209 ( 9.727 -0.000 -0.000) 9.727 2.700 ( 2.049 -0.000 -0.000) 2.049 3.925 ( 0.179 -0.000 -0.000) 0.179 4.077 ( 6.169 -0.000 -0.000) 6.169 4.080 ( 2.408 -0.000 -0.000) 2.408 4.461 ( -0.382 0.000 0.000) 0.382 5.126 ( -1.871 0.000 0.000) 1.871 5.181 ( -2.859 0.000 0.000) 2.859 5.738 ( -0.498 0.000 0.000) 0.498 5.846 ( 4.915 -0.000 -0.000) 4.915 7.560 ( -8.697 0.000 0.000) 8.697 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 0.000 -0.000 19.181) 19.181 0.204 ( 0.000 -0.000 19.181) 19.181 0.351 ( 0.000 -0.000 33.207) 33.207 3.546 ( -0.000 -0.000 -0.043) 0.043 3.546 ( 0.000 0.000 -0.043) 0.043 4.001 ( -0.000 0.000 -1.657) 1.657 4.001 ( -0.000 0.000 -1.657) 1.657 5.084 ( -0.000 0.000 -3.888) 3.888 5.612 ( 0.000 -0.000 1.156) 1.156 5.612 ( 0.000 -0.000 1.156) 1.156 6.042 ( 0.000 -0.000 1.518) 1.518 9.517 ( 0.000 -0.000 0.433) 0.433 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 14.570 8.412 8.892) 19.029 0.479 ( 14.045 8.109 10.980) 19.586 0.862 ( 26.559 15.334 15.087) 34.178 3.564 ( 0.996 0.575 0.875) 1.445 3.835 ( 8.314 4.800 -13.714) 16.741 3.992 ( 0.011 0.006 -2.277) 2.277 4.118 ( 10.830 6.253 -3.629) 13.021 4.910 ( -11.920 -6.882 12.680) 18.714 5.114 ( -3.360 -1.940 6.416) 7.498 5.654 ( 1.713 0.989 3.088) 3.667 6.967 ( 24.849 14.347 -40.309) 49.478 8.560 ( -38.632 -22.304 44.710) 63.157 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 15.416 8.900 3.552) 18.152 0.846 ( 15.676 9.051 6.541) 19.247 1.499 ( 26.399 15.241 5.448) 30.966 3.597 ( 1.559 0.900 1.714) 2.485 3.948 ( 6.487 3.745 -5.813) 9.482 3.988 ( 0.471 0.272 -2.446) 2.505 4.378 ( 12.377 7.146 0.351) 14.296 4.758 ( -6.169 -3.562 6.234) 9.466 5.076 ( -2.039 -1.177 1.715) 2.913 5.699 ( 1.140 0.658 3.243) 3.500 7.155 ( 5.188 2.995 -22.683) 23.461 7.986 ( -26.403 -15.244 20.392) 36.679 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 14.103 8.143 -0.002) 16.285 1.214 ( 15.401 8.892 3.636) 18.151 2.059 ( 22.656 13.080 -0.343) 26.163 3.647 ( 2.342 1.352 2.408) 3.621 3.997 ( 0.965 0.557 -2.196) 2.462 4.096 ( 7.455 4.304 -0.109) 8.609 4.645 ( 0.083 0.048 8.221) 8.222 4.670 ( 6.933 4.003 0.534) 8.024 5.028 ( -2.194 -1.267 -1.388) 2.889 5.719 ( -0.261 -0.151 1.782) 1.807 7.092 ( -6.615 -3.819 -6.493) 10.025 7.481 ( -20.527 -11.851 -3.701) 23.990 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 11.171 6.449 -2.557) 13.150 1.548 ( 13.459 7.770 1.446) 15.608 2.502 ( 17.415 10.054 -2.606) 20.277 3.720 ( 3.312 1.912 2.796) 4.737 4.015 ( 1.192 0.688 -1.617) 2.123 4.265 ( 6.591 3.805 4.870) 9.035 4.581 ( -2.469 -1.425 2.472) 3.773 4.872 ( 1.242 0.717 7.361) 7.499 5.022 ( 6.156 3.554 -3.342) 7.855 5.699 ( -1.674 -0.967 -0.206) 1.944 6.750 ( -23.134 -13.357 6.258) 27.437 7.138 ( -5.889 -3.400 -23.437) 24.404 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 7.109 4.104 -3.660) 8.988 1.816 ( 10.206 5.893 0.122) 11.786 2.822 ( 12.005 6.931 -1.869) 13.987 3.811 ( 3.841 2.218 2.523) 5.103 4.036 ( 1.053 0.608 -0.798) 1.454 4.405 ( 3.266 1.886 8.463) 9.265 4.566 ( 0.765 0.442 0.266) 0.923 4.838 ( -1.990 -1.149 -0.442) 2.340 5.208 ( 7.123 4.112 3.308) 8.865 5.650 ( -2.282 -1.318 -1.384) 2.976 6.226 ( -22.549 -13.018 -2.129) 26.124 6.978 ( -2.649 -1.529 -17.408) 17.674 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.414 1.971 -3.138) 5.038 2.001 ( 6.338 3.659 -0.278) 7.324 3.029 ( 7.012 4.049 -1.436) 8.223 3.899 ( 3.131 1.808 1.402) 3.878 4.054 ( 0.570 0.329 0.068) 0.662 4.444 ( -1.765 -1.019 5.382) 5.755 4.617 ( 2.962 1.710 0.235) 3.429 4.839 ( 2.814 1.625 -0.341) 3.267 5.292 ( -1.802 -1.040 0.755) 2.213 5.599 ( -1.669 -0.964 -0.920) 2.135 5.803 ( -12.206 -7.047 -4.002) 14.652 6.900 ( -0.164 -0.095 -8.321) 8.323 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 1.374 0.793 -1.828) 2.420 2.097 ( 2.268 1.310 -0.099) 2.621 3.122 ( 2.039 1.178 -3.399) 4.135 3.950 ( 1.051 0.607 -0.003) 1.214 4.060 ( -0.079 -0.046 0.472) 0.481 4.396 ( -2.514 -1.452 -1.269) 3.168 4.662 ( 0.717 0.414 0.002) 0.827 4.958 ( 6.251 3.609 2.613) 7.677 5.145 ( -7.341 -4.238 -3.170) 9.050 5.577 ( -0.151 -0.087 0.893) 0.910 5.675 ( -0.978 -0.565 0.439) 1.211 6.915 ( 2.536 1.464 1.804) 3.440 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.364 0.210 -0.375) 0.563 2.102 ( -1.920 -1.108 0.305) 2.238 3.103 ( -2.110 -1.218 -5.075) 5.630 3.938 ( -2.045 -1.181 -1.117) 2.612 4.057 ( -0.182 -0.105 0.234) 0.315 4.338 ( -1.427 -0.824 -6.055) 6.276 4.650 ( -1.261 -0.728 -1.588) 2.154 4.942 ( -5.452 -3.148 1.550) 6.483 5.181 ( 6.906 3.987 0.343) 7.982 5.598 ( 1.285 0.742 2.706) 3.086 5.701 ( 3.280 1.894 2.504) 4.540 7.021 ( 4.780 2.760 10.961) 12.272 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -2.041 -1.178 0.955) 2.543 2.012 ( -6.326 -3.652 0.642) 7.332 3.008 ( -4.905 -2.832 -3.267) 6.538 3.859 ( -4.157 -2.400 -2.158) 5.263 4.053 ( -0.282 -0.163 0.042) 0.328 4.291 ( -0.645 -0.373 -8.092) 8.126 4.605 ( -2.135 -1.232 -1.465) 2.867 4.844 ( -3.720 -2.148 0.634) 4.342 5.253 ( -0.692 -0.400 -1.746) 1.920 5.644 ( 1.708 0.986 3.127) 3.697 5.887 ( 12.541 7.240 3.381) 14.870 7.196 ( 6.131 3.540 17.399) 18.784 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -6.932 -4.002 1.292) 8.108 1.821 ( -10.914 -6.301 0.544) 12.614 2.851 ( -9.350 -5.398 0.694) 10.819 3.752 ( -4.293 -2.478 -2.807) 5.697 4.044 ( -0.498 -0.287 0.004) 0.575 4.246 ( -1.286 -0.742 -6.473) 6.641 4.554 ( -1.678 -0.969 -0.872) 2.125 4.771 ( -2.428 -1.402 -5.008) 5.739 5.181 ( -4.366 -2.521 0.306) 5.051 5.685 ( 0.970 0.560 1.763) 2.088 6.239 ( 17.385 10.037 -0.260) 20.076 7.403 ( 6.292 3.633 20.096) 21.369 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -12.054 -6.959 0.728) 13.937 1.532 ( -14.894 -8.599 -0.018) 17.198 2.563 ( -17.464 -10.083 2.857) 20.367 3.658 ( -3.148 -1.817 -2.837) 4.611 4.032 ( -0.547 -0.316 0.029) 0.633 4.188 ( -2.465 -1.423 -2.247) 3.626 4.531 ( -0.434 -0.251 -2.471) 2.522 4.688 ( -2.791 -1.611 -8.030) 8.652 5.098 ( -3.124 -1.804 2.661) 4.482 5.694 ( -0.313 -0.181 -0.629) 0.726 6.634 ( 18.374 10.608 -4.604) 21.710 7.605 ( 5.439 3.140 19.364) 20.357 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -17.214 -9.938 -0.424) 19.881 1.171 ( -15.536 -8.970 0.303) 17.943 2.089 ( -25.457 -14.698 2.699) 29.519 3.593 ( -1.818 -1.050 -2.445) 3.223 4.021 ( -0.403 -0.233 0.043) 0.467 4.124 ( -3.122 -1.802 1.969) 4.108 4.453 ( -5.347 -3.087 -9.040) 10.948 4.643 ( 0.767 0.443 -1.193) 1.486 5.065 ( -0.645 -0.372 1.655) 1.815 5.669 ( -1.265 -0.731 -2.661) 3.035 7.013 ( 17.067 9.853 -7.629) 21.132 7.775 ( 4.005 2.312 17.103) 17.718 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -17.674 -10.204 0.395) 20.412 0.804 ( -17.260 -9.965 0.955) 19.953 1.468 ( -30.434 -17.571 3.420) 35.308 3.557 ( -0.803 -0.463 -1.803) 2.027 4.015 ( -0.214 -0.124 -0.177) 0.304 4.065 ( -2.863 -1.653 3.463) 4.788 4.269 ( -7.427 -4.288 -10.392) 13.474 4.678 ( 1.724 0.995 2.831) 3.461 5.072 ( 0.782 0.452 0.511) 1.038 5.629 ( -1.245 -0.719 -3.060) 3.381 7.315 ( 12.072 6.970 -15.250) 20.661 7.917 ( 3.734 2.156 21.628) 22.054 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -0.000 14.381 11.145) 18.195 0.519 ( -0.000 15.162 12.649) 19.745 0.935 ( -0.000 29.326 17.097) 33.946 3.534 ( 0.000 -0.280 -0.727) 0.779 3.842 ( -0.000 15.925 -13.064) 20.597 3.992 ( -0.000 0.307 -2.376) 2.396 4.032 ( -0.000 4.056 -1.714) 4.404 4.939 ( 0.000 -12.164 5.116) 13.196 5.147 ( 0.000 -8.199 11.862) 14.420 5.594 ( 0.000 -0.803 -0.116) 0.811 6.860 ( -0.000 28.838 -29.241) 41.069 8.755 ( 0.000 -39.885 35.692) 53.523 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 8.446 14.360 7.302) 18.190 0.785 ( 8.553 14.517 8.817) 19.017 1.388 ( 13.044 26.673 8.958) 31.014 3.566 ( 3.222 -0.071 0.192) 3.228 3.879 ( -0.406 3.950 -4.636) 6.104 4.033 ( 0.052 7.167 -5.366) 8.953 4.206 ( 13.819 5.071 -1.855) 14.837 4.814 ( -3.933 -7.655 4.552) 9.736 5.105 ( -1.882 -2.510 4.431) 5.429 5.640 ( 4.666 -2.172 0.938) 5.231 7.026 ( 5.124 8.650 -20.007) 22.391 8.329 ( -21.951 -22.147 23.455) 39.019 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 10.054 12.282 3.019) 16.157 1.119 ( 11.321 13.763 5.590) 18.677 1.890 ( 16.205 20.853 1.696) 26.464 3.628 ( 2.952 1.365 1.521) 3.590 3.921 ( 4.060 -0.153 -1.342) 4.279 4.104 ( 1.269 9.208 -3.335) 9.875 4.503 ( 15.137 5.130 1.192) 16.027 4.700 ( -3.755 -5.237 3.072) 7.139 5.057 ( -2.727 -1.540 0.712) 3.212 5.684 ( 2.811 -2.936 1.009) 4.188 7.046 ( 0.986 -2.613 -12.458) 12.767 7.804 ( -26.779 -12.937 8.459) 30.920 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 9.665 9.402 -0.871) 13.511 1.453 ( 10.925 13.016 3.128) 17.279 2.329 ( 15.492 14.698 -1.980) 21.447 3.702 ( 2.820 2.584 2.333) 4.481 3.982 ( 3.127 0.791 -1.436) 3.531 4.237 ( 4.739 7.813 1.566) 9.271 4.611 ( -2.604 -3.487 2.056) 4.813 4.801 ( 12.690 3.012 6.289) 14.480 4.991 ( -2.459 -0.482 -3.617) 4.400 5.681 ( 0.536 -3.663 0.118) 3.703 6.923 ( -6.248 -10.668 -1.570) 12.462 7.268 ( -24.379 -4.731 -10.181) 26.839 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 7.596 6.166 -3.217) 10.299 1.747 ( 8.611 11.657 1.254) 14.547 2.677 ( 13.008 9.216 -2.039) 16.072 3.790 ( 3.168 3.320 2.517) 5.234 4.029 ( 1.380 2.175 -1.564) 3.014 4.403 ( 4.871 6.031 5.506) 9.508 4.563 ( -0.739 -1.932 1.674) 2.661 4.867 ( -3.269 -1.836 -0.250) 3.757 5.095 ( 10.752 2.076 1.011) 10.997 5.640 ( -0.754 -3.673 -0.322) 3.764 6.543 ( -24.770 -9.940 2.267) 26.786 6.946 ( -5.297 -1.783 -18.226) 19.063 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 4.736 3.256 -3.618) 6.791 1.970 ( 5.227 9.757 0.266) 11.072 2.926 ( 9.221 4.870 -1.388) 10.520 3.883 ( 2.832 3.635 1.847) 4.964 4.061 ( 0.259 2.348 -0.755) 2.480 4.504 ( -2.165 1.413 5.746) 6.301 4.580 ( 3.768 2.052 0.389) 4.308 4.817 ( 0.161 0.278 -1.824) 1.852 5.231 ( 5.207 -4.506 -0.968) 6.954 5.605 ( -0.378 -0.587 1.234) 1.418 6.059 ( -23.136 -2.071 -3.551) 23.498 6.845 ( 0.869 -2.760 -9.012) 9.465 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 2.419 1.416 -2.748) 3.925 2.110 ( 1.385 7.600 0.120) 7.726 3.064 ( 4.443 1.209 -2.962) 5.475 3.959 ( 1.138 3.783 0.517) 3.984 4.073 ( -0.796 1.208 0.024) 1.447 4.452 ( -4.527 0.586 -1.088) 4.693 4.653 ( 1.366 1.298 0.987) 2.127 4.891 ( 6.218 3.339 1.324) 7.180 5.166 ( -2.794 -8.283 -4.061) 9.639 5.628 ( -0.468 3.990 2.796) 4.895 5.758 ( -11.154 1.859 -1.918) 11.470 6.855 ( 4.640 -1.927 0.551) 5.054 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.259 0.550 -1.543) 2.066 2.163 ( -2.716 5.368 0.462) 6.034 3.082 ( 0.143 -1.744 -5.543) 5.813 3.986 ( -2.562 3.241 -0.496) 4.161 4.059 ( -0.515 -0.583 -0.499) 0.924 4.381 ( -4.322 2.799 -4.715) 6.981 4.656 ( -0.927 -0.520 -1.664) 1.975 4.999 ( -3.212 -2.972 1.891) 4.767 5.089 ( 6.982 1.966 0.132) 7.255 5.636 ( -3.944 3.080 1.596) 5.252 5.710 ( 1.287 4.263 2.160) 4.950 6.960 ( 7.450 -1.072 8.944) 11.690 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.005 -0.485 -0.307) 0.574 2.124 ( -7.107 2.944 0.944) 7.751 3.016 ( -2.084 -3.553 -5.433) 6.818 3.924 ( -5.429 -0.209 -1.308) 5.589 4.056 ( -0.106 0.909 -1.400) 1.673 4.332 ( -3.927 5.229 -6.189) 9.004 4.616 ( -1.549 -1.348 -2.323) 3.100 4.901 ( -4.827 -2.604 2.504) 6.029 5.219 ( 3.986 -0.007 -0.423) 4.009 5.622 ( 0.334 -0.605 2.859) 2.941 5.847 ( 5.728 10.542 2.589) 12.274 7.136 ( 9.280 -0.659 14.771) 17.457 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -3.713 -2.564 0.369) 4.528 1.985 ( -11.781 -0.003 1.097) 11.832 2.912 ( -4.255 -4.875 -2.138) 6.815 3.816 ( -5.710 -1.004 -1.861) 6.089 4.052 ( -1.071 1.110 -1.692) 2.289 4.305 ( -3.965 6.613 -5.242) 9.324 4.566 ( -1.702 -1.772 -1.369) 2.813 4.800 ( -4.731 -2.321 -1.161) 5.396 5.209 ( -1.949 -2.871 -0.740) 3.548 5.648 ( 2.460 -2.141 2.914) 4.373 6.117 ( 11.257 13.213 0.369) 17.362 7.348 ( 9.798 -0.770 17.068) 19.695 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -9.365 -4.622 0.203) 10.445 1.738 ( -16.080 -2.948 0.761) 16.365 2.735 ( -11.023 -6.721 1.028) 12.951 3.711 ( -5.080 -0.302 -1.827) 5.407 4.026 ( -1.711 -0.562 -1.739) 2.504 4.285 ( -4.905 7.024 -1.378) 8.677 4.527 ( -0.624 -0.999 -1.101) 1.613 4.690 ( -3.682 -2.698 -6.336) 7.809 5.136 ( -2.871 -2.698 1.188) 4.116 5.668 ( 1.643 -2.524 0.911) 3.146 6.455 ( 14.470 12.206 -2.837) 19.142 7.556 ( 9.089 -1.394 15.885) 18.355 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -14.425 -5.273 0.088) 15.359 1.406 ( -19.038 -4.440 0.528) 19.556 2.395 ( -21.599 -8.107 1.890) 23.147 3.631 ( -3.792 0.480 -1.494) 4.104 3.979 ( -0.833 -2.974 -1.183) 3.307 4.266 ( -5.915 7.194 2.460) 9.633 4.477 ( -4.149 -2.252 -5.820) 7.494 4.618 ( 0.872 -0.971 -3.077) 3.342 5.082 ( -1.592 -1.368 1.347) 2.494 5.661 ( 0.124 -1.783 -1.089) 2.093 6.806 ( 15.955 9.786 -4.946) 19.360 7.729 ( 7.814 -2.693 12.657) 15.117 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -19.713 -3.847 1.026) 20.111 1.043 ( -18.315 -3.622 1.296) 18.714 1.886 ( -30.215 -7.104 2.464) 31.137 3.583 ( -2.417 1.071 -0.825) 2.770 3.941 ( 0.623 -3.448 -0.836) 3.602 4.232 ( -6.792 4.375 2.272) 8.393 4.327 ( -7.512 -0.746 -6.705) 10.097 4.653 ( 2.922 0.330 1.444) 3.276 5.066 ( 0.205 -0.434 0.639) 0.799 5.638 ( -0.946 0.110 -1.521) 1.794 7.125 ( 13.932 7.033 -8.052) 17.561 7.860 ( 7.950 -5.100 12.019) 15.287 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 17.136 6.790) 18.433 0.899 ( -0.000 15.764 8.923) 18.114 1.601 ( -0.000 29.766 7.430) 30.679 3.530 ( -0.000 0.511 -0.681) 0.851 3.981 ( -0.000 0.458 -2.841) 2.878 4.026 ( -0.000 11.103 -6.327) 12.779 4.123 ( -0.000 6.070 -1.347) 6.217 4.777 ( 0.000 -8.019 2.175) 8.309 5.110 ( 0.000 -2.686 4.195) 4.981 5.587 ( -0.000 0.511 -0.692) 0.861 7.001 ( -0.000 3.175 -11.552) 11.980 8.365 ( 0.000 -22.138 16.528) 27.627 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 4.192 15.748 5.032) 17.055 1.128 ( 6.656 15.266 6.238) 17.784 1.946 ( 5.637 25.943 2.180) 26.637 3.577 ( 4.264 1.231 0.172) 4.442 3.914 ( -2.665 2.116 -1.298) 3.642 4.168 ( 0.645 9.666 -4.631) 10.737 4.290 ( 14.309 4.058 0.210) 14.875 4.695 ( -1.662 -6.397 1.292) 6.735 5.085 ( -1.740 -1.545 1.434) 2.733 5.616 ( 2.402 -0.142 -0.368) 2.434 6.963 ( 0.284 -5.975 -6.488) 8.824 8.077 ( -16.322 -14.476 7.148) 22.958 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 5.056 11.912 1.593) 13.038 1.439 ( 9.334 15.573 4.221) 18.641 2.283 ( 8.247 19.042 -1.850) 20.833 3.677 ( 4.447 2.681 1.514) 5.409 3.933 ( 2.621 1.874 -0.885) 3.341 4.264 ( 1.941 8.696 -1.160) 8.985 4.579 ( 12.665 1.196 -0.575) 12.734 4.624 ( 1.587 -3.658 4.005) 5.651 5.031 ( -3.357 -0.632 -1.794) 3.858 5.639 ( 0.966 -1.315 0.172) 1.641 6.848 ( -1.065 -12.377 -3.490) 12.903 7.632 ( -24.486 -6.496 -2.749) 25.482 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 5.196 8.197 -1.681) 9.849 1.749 ( 8.040 15.166 2.656) 17.370 2.576 ( 9.658 11.985 -2.087) 15.533 3.780 ( 3.340 3.727 2.545) 5.614 4.005 ( 3.448 2.424 -2.324) 4.813 4.399 ( 4.478 7.336 2.101) 8.847 4.561 ( -0.813 -2.495 1.453) 3.000 4.843 ( 9.983 -2.578 4.450) 11.230 4.966 ( -0.548 1.213 -6.020) 6.166 5.628 ( -0.737 -1.197 1.277) 1.899 6.671 ( -4.117 -14.173 0.231) 14.761 7.150 ( -24.592 -0.096 -11.689) 27.229 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 4.266 4.824 -3.109) 7.151 2.008 ( 4.877 14.101 1.345) 14.981 2.821 ( 9.097 6.483 -0.635) 11.189 3.880 ( 2.984 4.089 2.766) 5.768 4.069 ( 1.854 3.057 -2.414) 4.314 4.526 ( 2.190 -1.130 -0.416) 2.499 4.570 ( 1.959 6.081 4.955) 8.085 4.835 ( -2.835 -0.408 -1.361) 3.171 5.050 ( 8.332 -5.268 -4.705) 10.923 5.622 ( -0.370 1.416 3.023) 3.359 6.402 ( -17.141 -6.007 1.052) 18.194 6.811 ( -8.024 -1.402 -11.728) 14.279 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.815 2.496 -2.905) 4.753 2.191 ( 1.159 12.392 0.822) 12.473 2.988 ( 5.666 2.271 -0.971) 6.181 3.974 ( 2.245 4.292 1.793) 5.165 4.104 ( -0.461 2.545 -1.032) 2.785 4.512 ( -1.389 0.003 -2.766) 3.095 4.667 ( -0.116 3.859 3.151) 4.983 4.838 ( 3.275 2.857 -0.260) 4.354 5.054 ( 3.496 -8.700 -5.947) 11.103 5.666 ( 0.978 3.767 2.996) 4.912 6.057 ( -19.814 2.892 -1.509) 20.080 6.742 ( 4.118 -4.232 -1.361) 6.060 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 1.599 1.273 -2.063) 2.904 2.292 ( -2.752 10.425 1.099) 10.838 3.041 ( 1.024 -1.120 -3.426) 3.747 4.044 ( 0.941 3.548 -0.464) 3.700 4.084 ( -3.569 0.954 -0.067) 3.695 4.475 ( -3.398 4.118 -4.706) 7.117 4.667 ( -1.887 0.190 -1.187) 2.238 4.970 ( 6.238 1.947 2.369) 6.951 5.005 ( 2.082 -4.023 -2.447) 5.148 5.735 ( 1.030 3.685 0.889) 3.928 5.822 ( -12.112 6.024 1.212) 13.582 6.823 ( 8.680 -4.272 6.573) 11.696 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.702 0.410 -1.156) 1.413 2.305 ( -7.103 8.190 1.763) 10.983 2.992 ( -1.731 -3.400 -5.150) 6.410 3.992 ( -4.226 -3.048 -1.480) 5.417 4.092 ( -1.426 5.869 -1.177) 6.153 4.450 ( -4.119 7.148 -4.904) 9.597 4.620 ( -1.840 -1.327 -2.624) 3.469 4.951 ( -2.269 -2.533 2.131) 4.013 5.132 ( 6.404 0.654 1.127) 6.535 5.675 ( -5.603 0.818 0.999) 5.750 5.878 ( 3.404 9.906 1.863) 10.639 6.982 ( 11.261 -4.383 11.303) 16.546 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -1.329 -0.901 -0.487) 1.678 2.216 ( -12.079 4.881 1.937) 13.171 2.904 ( -2.050 -4.215 -3.822) 6.048 3.883 ( -4.600 -2.528 -1.120) 5.367 4.109 ( -2.579 5.637 -2.356) 6.631 4.438 ( -4.333 8.242 -4.117) 10.181 4.568 ( -1.585 -1.724 -1.717) 2.904 4.872 ( -5.553 -2.018 1.687) 6.145 5.184 ( 1.158 -2.875 -0.671) 3.171 5.624 ( -1.195 -1.109 2.756) 3.202 6.085 ( 7.874 11.963 -0.317) 14.325 7.182 ( 12.602 -4.801 12.557) 18.427 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.712 -2.169 -0.351) 6.120 2.008 ( -16.486 0.994 1.325) 16.569 2.808 ( -4.512 -4.039 -1.097) 6.155 3.786 ( -4.617 -1.005 -0.353) 4.739 4.091 ( -4.424 4.069 -2.617) 6.556 4.434 ( -4.021 7.016 -1.417) 8.210 4.529 ( -1.067 0.004 -0.611) 1.230 4.738 ( -7.207 -2.817 -1.980) 7.987 5.143 ( -1.253 -3.194 -0.436) 3.459 5.620 ( 1.178 -2.342 2.116) 3.368 6.351 ( 10.829 10.778 -2.450) 15.474 7.386 ( 12.441 -5.451 10.182) 16.976 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -11.006 -2.090 -0.323) 11.207 1.708 ( -19.269 -1.028 0.959) 19.320 2.632 ( -12.703 -3.466 -0.189) 13.169 3.706 ( -4.489 0.260 0.364) 4.511 4.022 ( -5.492 1.309 -1.643) 5.880 4.417 ( -3.898 2.614 0.805) 4.762 4.536 ( -2.859 5.132 0.787) 5.927 4.592 ( -3.088 -3.356 -3.512) 5.756 5.094 ( -1.415 -1.853 -0.359) 2.359 5.627 ( 1.482 -1.684 0.410) 2.280 6.632 ( 13.338 7.385 -3.135) 15.565 7.553 ( 11.067 -6.614 5.064) 13.852 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -15.300 -0.216 -0.005) 15.301 1.371 ( -20.169 0.019 1.752) 20.245 2.305 ( -23.021 -1.205 -0.391) 23.056 3.646 ( -3.624 0.954 1.012) 3.882 3.949 ( -3.240 0.843 -0.495) 3.384 4.323 ( -6.201 -3.809 -3.591) 8.115 4.495 ( -6.073 6.662 4.978) 10.298 4.608 ( 2.350 1.322 -0.162) 2.702 5.060 ( -0.502 -1.088 -0.842) 1.464 5.642 ( 0.888 0.677 -0.140) 1.125 6.918 ( 15.152 3.888 -2.357) 15.819 7.659 ( 9.646 -8.980 -0.223) 13.181 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 17.638 4.025) 18.091 1.237 ( -0.000 13.668 5.388) 14.692 2.164 ( -0.000 24.992 0.077) 24.992 3.549 ( -0.000 1.807 -0.143) 1.812 3.976 ( -0.000 1.074 -2.448) 2.673 4.185 ( -0.000 5.583 2.605) 6.161 4.244 ( -0.000 8.875 -3.461) 9.526 4.651 ( 0.000 -5.693 0.447) 5.710 5.091 ( 0.000 -0.885 0.289) 0.931 5.608 ( -0.000 2.145 -0.753) 2.274 6.860 ( 0.000 -12.229 -2.123) 12.412 8.097 ( 0.000 -12.289 1.983) 12.448 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.376 11.641 2.498) 11.985 1.472 ( 6.324 16.549 3.198) 18.003 2.392 ( 1.500 19.702 -2.722) 19.946 3.619 ( 5.147 2.877 0.464) 5.915 3.947 ( -1.975 1.979 -0.553) 2.851 4.309 ( 3.280 4.370 -0.484) 5.485 4.377 ( 9.471 6.166 1.433) 11.391 4.600 ( -0.533 -3.692 0.983) 3.857 5.068 ( -2.010 0.100 -1.956) 2.806 5.633 ( 0.324 1.995 -0.277) 2.040 6.710 ( -0.281 -16.618 -1.116) 16.657 7.879 ( -13.408 -7.253 -3.548) 15.652 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.056 8.408 -0.645) 8.680 1.770 ( 8.669 15.790 2.575) 18.196 2.580 ( 3.613 13.042 -2.710) 13.802 3.753 ( 5.650 4.057 1.372) 7.090 3.963 ( 1.957 1.557 -0.871) 2.648 4.412 ( 3.295 5.799 0.732) 6.709 4.533 ( 2.912 -3.021 -0.567) 4.234 4.644 ( 8.989 1.470 3.813) 9.874 5.015 ( -3.704 1.312 -4.250) 5.788 5.648 ( -0.664 1.661 1.289) 2.205 6.539 ( 0.318 -16.694 -1.493) 16.763 7.512 ( -21.654 -2.368 -7.909) 23.175 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.507 5.346 -2.466) 6.399 2.064 ( 6.914 15.287 1.748) 16.869 2.755 ( 6.188 7.251 -0.432) 9.542 3.880 ( 3.508 4.511 3.187) 6.543 4.028 ( 4.366 1.601 -2.681) 5.368 4.487 ( 0.838 -0.689 0.272) 1.119 4.587 ( 5.052 4.222 1.576) 6.770 4.791 ( 6.643 -3.170 1.089) 7.441 4.950 ( -3.320 1.993 -6.332) 7.422 5.662 ( -0.686 2.491 2.926) 3.904 6.407 ( 1.384 -12.454 0.015) 12.531 7.084 ( -23.661 0.838 -9.946) 25.680 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 2.431 3.160 -2.640) 4.782 2.296 ( 2.950 14.294 1.052) 14.633 2.914 ( 6.102 2.895 0.899) 6.814 3.983 ( 2.498 4.136 3.708) 6.090 4.108 ( 3.068 2.726 -2.092) 4.606 4.482 ( 1.276 -1.890 -2.163) 3.143 4.725 ( 3.119 5.150 3.352) 6.891 4.830 ( 2.291 -1.085 -0.129) 2.538 4.894 ( -0.231 -2.331 -8.827) 9.132 5.696 ( 0.409 3.099 2.134) 3.785 6.322 ( -5.102 -3.599 3.065) 6.955 6.726 ( -12.620 -0.722 -7.220) 14.557 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.784 1.912 -2.003) 3.294 2.446 ( -1.084 12.730 1.273) 12.839 3.000 ( 2.306 -0.542 -0.445) 2.411 4.059 ( 0.442 2.743 0.825) 2.898 4.148 ( -0.808 2.550 1.032) 2.867 4.491 ( 2.094 0.484 -4.671) 5.142 4.744 ( -5.579 3.423 -2.371) 6.962 4.866 ( 6.530 -5.287 -1.412) 8.520 4.919 ( 4.441 3.526 -0.616) 5.704 5.747 ( 1.546 2.985 0.166) 3.365 6.139 ( -16.522 5.359 1.269) 17.415 6.653 ( 6.394 -5.751 2.748) 9.028 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.924 1.124 -1.297) 1.949 2.514 ( -5.259 10.896 2.223) 12.302 2.977 ( -1.788 -3.216 -2.855) 4.657 4.021 ( -3.907 -2.074 -1.725) 4.747 4.178 ( -1.088 5.480 1.446) 5.771 4.513 ( 0.816 1.611 -5.050) 5.363 4.671 ( -4.847 3.498 -3.664) 7.011 4.925 ( 3.422 -2.113 1.306) 4.229 5.036 ( 6.114 1.228 1.003) 6.316 5.780 ( -2.550 1.884 -1.247) 3.407 5.983 ( -7.167 7.844 2.374) 10.887 6.769 ( 11.260 -6.583 7.360) 14.976 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.221 0.300 -0.811) 0.893 2.482 ( -10.898 7.449 2.675) 13.469 2.887 ( -2.269 -3.816 -3.389) 5.585 3.923 ( -4.016 -2.284 -0.775) 4.685 4.208 ( -2.334 5.953 -0.929) 6.462 4.511 ( -0.155 0.286 -3.590) 3.605 4.626 ( -4.581 5.316 -2.143) 7.338 4.929 ( -1.810 -1.312 1.614) 2.757 5.119 ( 3.339 -2.011 -0.302) 3.909 5.693 ( -6.278 0.257 1.283) 6.413 6.073 ( 5.062 8.700 -0.023) 10.065 6.937 ( 13.350 -7.068 7.551) 16.888 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -2.640 -0.378 -0.706) 2.758 2.304 ( -15.962 1.854 1.343) 16.125 2.825 ( -1.734 -1.321 -0.972) 2.386 3.845 ( -3.670 -0.772 0.578) 3.794 4.201 ( -3.965 4.269 -2.510) 6.343 4.493 ( -0.881 -0.239 -1.151) 1.469 4.602 ( -3.790 5.103 -0.580) 6.383 4.844 ( -6.985 -1.388 0.302) 7.127 5.118 ( 0.400 -2.385 -1.611) 2.905 5.619 ( -2.667 -1.167 2.220) 3.661 6.267 ( 8.684 6.743 -1.749) 11.133 7.121 ( 14.067 -7.222 4.020) 16.315 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -6.625 -0.019 -0.880) 6.683 2.020 ( -18.137 -0.773 0.642) 18.165 2.765 ( -5.723 0.521 -0.156) 5.749 3.783 ( -4.048 0.425 1.548) 4.355 4.135 ( -5.878 1.269 -2.108) 6.372 4.472 ( -2.070 0.679 0.344) 2.206 4.578 ( -2.587 -0.917 -0.616) 2.813 4.715 ( -7.077 3.197 2.270) 8.090 5.095 ( -0.787 -0.307 -2.082) 2.247 5.595 ( 0.461 -1.127 0.918) 1.525 6.469 ( 10.943 2.166 -1.720) 11.287 7.283 ( 12.933 -7.278 -2.529) 15.054 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -10.931 1.766 -1.107) 11.128 1.707 ( -18.671 0.256 1.037) 18.702 2.616 ( -13.840 2.539 -1.547) 14.156 3.726 ( -4.264 0.795 2.104) 4.821 4.038 ( -5.350 0.725 -0.350) 5.410 4.386 ( -6.802 -2.987 -0.980) 7.494 4.539 ( 1.101 -0.870 0.650) 1.546 4.712 ( -3.422 6.914 7.056) 10.454 5.065 ( -1.887 0.493 -3.165) 3.717 5.620 ( 2.356 0.880 -0.178) 2.521 6.673 ( 14.413 -2.840 0.579) 14.701 7.385 ( 10.385 -7.956 -10.304) 16.653 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.000 9.740 1.069) 9.798 1.582 ( -0.000 15.718 1.843) 15.826 2.548 ( -0.000 15.871 -4.336) 16.453 3.603 ( -0.000 3.679 0.710) 3.746 3.991 ( -0.000 1.892 -1.345) 2.321 4.244 ( 0.000 -1.913 4.709) 5.083 4.431 ( -0.000 9.912 0.471) 9.923 4.582 ( 0.000 -0.734 1.021) 1.257 5.082 ( -0.000 1.075 -3.107) 3.288 5.656 ( -0.000 3.237 -0.781) 3.330 6.533 ( 0.000 -19.212 -0.782) 19.227 7.909 ( 0.000 -6.091 -5.890) 8.473 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.227 6.919 -1.244) 7.034 1.789 ( 6.553 14.165 1.228) 15.656 2.659 ( 0.230 10.373 -3.888) 11.080 3.695 ( 5.322 4.576 0.775) 7.062 3.981 ( -1.855 1.384 0.623) 2.397 4.310 ( 8.178 -3.890 2.795) 9.478 4.495 ( -0.115 1.323 0.216) 1.345 4.637 ( 1.699 8.572 3.177) 9.298 5.067 ( -2.123 2.142 -4.363) 5.304 5.683 ( -0.291 3.116 -0.062) 3.131 6.350 ( 0.936 -18.158 -1.954) 18.287 7.736 ( -11.455 -3.665 -7.927) 14.404 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.902 4.300 -2.607) 5.108 2.067 ( 9.604 13.247 0.917) 16.388 2.746 ( 2.454 5.550 -1.134) 6.174 3.850 ( 6.668 5.196 0.578) 8.473 3.981 ( 0.713 0.166 1.778) 1.923 4.436 ( 10.485 -4.413 0.596) 11.392 4.484 ( -0.835 -0.852 -0.126) 1.200 4.765 ( 1.197 8.420 2.176) 8.779 5.025 ( -3.822 3.038 -4.849) 6.881 5.707 ( -0.563 2.796 1.522) 3.233 6.223 ( 3.864 -13.626 -2.062) 14.312 7.422 ( -19.170 -1.032 -8.723) 21.087 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 1.794 2.697 -2.518) 4.102 2.346 ( 7.637 12.743 0.216) 14.858 2.847 ( 5.034 1.822 1.655) 5.604 3.999 ( 2.775 4.767 4.797) 7.310 4.035 ( 6.137 0.950 -1.676) 6.432 4.454 ( -0.725 -1.528 -1.410) 2.202 4.567 ( 10.438 -5.882 -0.697) 12.001 4.845 ( -0.515 7.286 -0.223) 7.307 4.962 ( -5.274 3.027 -4.502) 7.566 5.726 ( -0.382 1.862 1.043) 2.168 6.215 ( 7.314 -7.410 1.341) 10.498 7.039 ( -22.126 0.948 -7.696) 23.445 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 2.007 1.872 -1.722) 3.240 2.556 ( 3.138 11.768 0.024) 12.180 2.942 ( 4.172 -1.056 2.004) 4.747 4.088 ( 1.454 3.359 4.791) 6.029 4.145 ( 3.909 1.911 -0.902) 4.443 4.433 ( 1.288 -0.973 -2.735) 3.176 4.662 ( 9.037 -6.242 -3.377) 11.491 4.876 ( -5.533 4.796 -2.176) 7.638 4.916 ( 0.583 4.630 -0.878) 4.748 5.745 ( 1.005 1.264 -0.335) 1.649 6.303 ( 5.395 -1.705 4.759) 7.393 6.677 ( -17.521 0.037 -4.825) 18.173 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 1.397 1.289 -0.989) 2.143 2.682 ( -1.068 10.387 1.053) 10.494 2.958 ( -0.160 -3.703 -0.056) 3.707 4.085 ( -5.005 0.407 0.062) 5.021 4.217 ( 2.542 2.130 2.431) 4.112 4.459 ( 2.909 -0.408 -3.529) 4.592 4.737 ( 3.883 1.338 -7.123) 8.222 4.849 ( 0.340 1.205 3.655) 3.863 4.979 ( 2.461 2.102 -0.354) 3.256 5.786 ( 2.150 1.629 -0.973) 2.868 6.264 ( -14.808 5.848 1.882) 16.032 6.548 ( 7.909 -7.054 2.299) 10.844 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.413 0.689 -0.608) 1.008 2.717 ( -6.950 7.073 2.186) 10.154 2.880 ( -2.268 -4.209 -1.805) 5.111 3.987 ( -5.523 -0.515 0.439) 5.564 4.268 ( 0.383 2.071 -0.359) 2.136 4.485 ( 1.467 0.308 -1.629) 2.214 4.743 ( -3.504 5.016 -3.879) 7.244 4.913 ( 3.084 -0.866 2.335) 3.964 5.036 ( 3.946 -0.996 -0.917) 4.171 5.801 ( -3.414 1.143 -0.837) 3.697 6.123 ( -5.104 4.121 2.020) 6.864 6.672 ( 12.011 -6.402 2.585) 13.854 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.839 0.287 -0.619) 1.082 2.560 ( -13.318 -2.179 -0.129) 13.495 2.851 ( -1.144 2.477 1.179) 2.973 3.911 ( -4.127 0.763 1.773) 4.556 4.263 ( -1.531 -0.142 -2.397) 2.848 4.506 ( -0.205 2.233 0.307) 2.263 4.703 ( -4.177 1.485 -0.416) 4.452 4.915 ( -2.455 -0.861 0.310) 2.620 5.074 ( 2.383 -0.494 -3.136) 3.969 5.703 ( -6.865 -0.365 1.594) 7.057 6.178 ( 5.781 0.813 0.651) 5.874 6.830 ( 13.082 -5.141 -1.461) 14.131 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -2.906 0.632 -1.052) 3.154 2.283 ( -15.205 -3.804 -0.471) 15.680 2.859 ( -2.990 3.947 2.055) 5.361 3.866 ( -3.924 1.658 2.492) 4.935 4.201 ( -3.286 -2.213 -2.155) 4.510 4.521 ( -1.410 3.285 0.595) 3.624 4.624 ( -4.572 -3.916 2.122) 6.383 4.837 ( -4.963 0.527 -0.351) 5.003 5.102 ( 0.954 2.931 -3.395) 4.585 5.612 ( -3.461 -0.930 1.655) 3.948 6.287 ( 8.921 -4.986 0.239) 10.223 6.990 ( 12.568 -3.604 -7.981) 15.318 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -6.008 2.005 -1.830) 6.593 1.993 ( -15.661 -1.838 -0.029) 15.768 2.823 ( -7.393 4.878 0.349) 8.864 3.819 ( -4.621 1.434 2.577) 5.482 4.109 ( -3.961 -2.174 -0.849) 4.597 4.483 ( -7.113 -3.967 3.207) 8.753 4.533 ( -0.591 1.461 -0.135) 1.582 4.803 ( -0.910 1.523 3.474) 3.901 5.125 ( -2.243 5.035 -2.233) 5.947 5.591 ( 1.168 0.397 -0.219) 1.253 6.384 ( 12.151 -10.915 0.879) 16.357 7.110 ( 9.982 -3.019 -15.073) 18.329 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.000 4.581 -2.794) 5.366 1.855 ( -0.000 11.501 0.252) 11.503 2.722 ( -0.000 5.652 -3.890) 6.862 3.702 ( -0.000 5.579 1.593) 5.802 4.025 ( -0.000 1.997 -0.443) 2.046 4.191 ( 0.000 -6.632 5.739) 8.770 4.501 ( 0.000 -0.549 -0.113) 0.560 4.743 ( -0.000 12.444 3.753) 12.997 5.093 ( -0.000 2.898 -4.657) 5.485 5.715 ( -0.000 3.322 -1.023) 3.476 6.160 ( 0.000 -16.809 -2.710) 17.026 7.767 ( 0.000 -3.448 -8.566) 9.233 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.104 2.373 -3.331) 4.091 2.025 ( 7.813 9.618 -0.115) 12.392 2.752 ( 0.907 1.761 -1.686) 2.601 3.803 ( 4.411 5.565 1.008) 7.172 4.008 ( -2.071 0.330 2.725) 3.439 4.229 ( 8.095 -5.619 2.406) 10.143 4.488 ( -0.555 -0.984 -0.129) 1.137 4.871 ( -0.632 11.318 2.642) 11.639 5.091 ( -2.054 3.448 -4.319) 5.896 5.742 ( -0.103 2.732 -0.308) 2.751 6.026 ( 2.881 -12.581 -3.100) 13.274 7.623 ( -9.986 -2.003 -8.636) 13.353 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 1.260 1.431 -2.466) 3.117 2.283 ( 11.632 8.733 -0.620) 14.558 2.790 ( 3.278 -0.579 1.217) 3.544 3.936 ( 5.653 2.618 -1.064) 6.320 4.023 ( 1.379 2.596 5.909) 6.600 4.329 ( 9.463 -5.542 -1.198) 11.032 4.465 ( -1.019 -1.124 0.294) 1.545 4.947 ( -2.159 8.417 0.129) 8.690 5.060 ( -4.083 3.341 -3.475) 6.317 5.750 ( -0.842 0.450 -0.014) 0.955 6.016 ( 7.790 -6.076 -1.066) 9.936 7.353 ( -17.086 -0.033 -7.526) 18.670 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 2.152 1.262 -1.210) 2.773 2.546 ( 9.612 8.234 -1.611) 12.759 2.856 ( 4.859 -2.282 3.162) 6.230 4.032 ( 6.032 -0.770 1.071) 6.174 4.132 ( 2.863 5.160 3.373) 6.797 4.413 ( 3.821 -1.956 -3.590) 5.596 4.449 ( 4.476 -3.959 1.202) 6.095 4.975 ( -2.144 5.033 -0.870) 5.540 4.999 ( -5.137 3.630 -2.634) 6.819 5.738 ( 0.107 -0.365 -0.351) 0.517 6.135 ( 10.239 -2.613 1.283) 10.645 7.016 ( -20.709 1.427 -5.200) 21.399 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.021 1.010 -0.331) 2.284 2.739 ( 4.980 7.461 -1.445) 9.086 2.901 ( 2.487 -4.591 2.288) 5.700 4.138 ( 6.720 -1.387 -0.193) 6.864 4.177 ( -3.101 1.650 1.930) 4.008 4.419 ( 1.204 0.734 -0.294) 1.440 4.568 ( 10.666 -0.900 -0.952) 10.746 4.930 ( -4.303 2.053 -0.454) 4.789 4.992 ( -1.223 2.856 -1.056) 3.281 5.756 ( 2.044 0.409 0.015) 2.084 6.293 ( 10.441 -2.153 1.179) 10.725 6.665 ( -20.881 1.376 -2.220) 21.044 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.150 0.511 0.002) 1.259 2.844 ( -2.970 -1.495 0.254) 3.335 2.858 ( 1.615 0.731 -0.266) 1.793 4.093 ( -5.949 -0.029 1.007) 6.034 4.220 ( 4.039 -1.718 -1.970) 4.811 4.471 ( 2.344 2.452 1.938) 3.907 4.743 ( 7.866 2.572 -2.891) 8.766 4.887 ( -2.093 -0.447 3.469) 4.076 4.991 ( 0.377 0.078 -1.582) 1.629 5.805 ( 2.519 0.751 0.063) 2.629 6.340 ( -15.366 -2.720 -0.008) 15.605 6.449 ( 8.616 0.236 -0.015) 8.620 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.167 0.155 -0.081) 0.241 2.680 ( -7.653 -8.373 -1.234) 11.410 2.918 ( -0.608 5.317 1.665) 5.605 4.012 ( -5.135 1.715 2.670) 6.036 4.232 ( 1.525 -3.306 -3.099) 4.781 4.541 ( 0.882 3.832 2.701) 4.771 4.764 ( -3.626 -1.625 -1.530) 4.258 4.914 ( 2.303 -0.575 2.444) 3.407 5.010 ( 2.994 0.480 -3.524) 4.649 5.812 ( -3.827 0.125 0.106) 3.831 6.127 ( -3.927 -6.114 2.381) 7.647 6.603 ( 9.766 0.919 -3.701) 10.484 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.804 0.361 -0.561) 1.045 2.440 ( -10.508 -7.742 -1.131) 13.101 2.956 ( -1.775 5.173 2.878) 6.180 3.967 ( -4.382 2.654 3.154) 6.016 4.193 ( -0.554 -4.309 -1.976) 4.773 4.585 ( -1.203 4.029 1.280) 4.395 4.653 ( -4.111 -6.419 2.134) 7.916 4.905 ( -3.196 0.326 -0.596) 3.267 5.073 ( 4.173 2.651 -4.796) 6.888 5.702 ( -7.088 -0.966 1.899) 7.401 6.084 ( 5.676 -10.801 1.120) 12.253 6.765 ( 9.778 2.373 -7.997) 12.853 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -2.281 1.243 -1.552) 3.026 2.188 ( -11.529 -4.798 -0.622) 12.503 2.972 ( -3.877 5.438 2.294) 7.062 3.924 ( -4.830 1.841 2.508) 5.745 4.126 ( -1.884 -3.700 -0.499) 4.182 4.524 ( -3.681 -6.188 2.567) 7.645 4.598 ( -2.468 2.498 2.015) 4.049 4.845 ( -3.276 0.978 -0.738) 3.497 5.161 ( 3.466 4.592 -3.261) 6.614 5.608 ( -3.335 -0.601 1.535) 3.720 6.079 ( 8.432 -14.926 -0.709) 17.158 6.905 ( 8.043 2.141 -12.412) 14.944 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -0.000 0.669 -3.377) 3.443 2.029 ( -0.000 6.595 -0.402) 6.607 2.739 ( 0.000 -1.422 -0.738) 1.602 3.827 ( -0.000 5.662 1.736) 5.922 4.053 ( -0.000 0.986 -0.138) 0.996 4.100 ( 0.000 -5.937 5.136) 7.850 4.482 ( 0.000 -1.087 0.050) 1.088 4.995 ( -0.000 10.051 1.602) 10.178 5.130 ( -0.000 3.783 -3.022) 4.842 5.764 ( -0.000 2.532 -1.433) 2.909 5.879 ( 0.000 -9.682 -2.937) 10.117 7.658 ( -0.000 -1.495 -8.350) 8.483 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 0.797 0.363 -1.886) 2.080 2.161 ( 9.030 4.796 -0.630) 10.244 2.734 ( 1.930 -2.362 1.141) 3.257 3.900 ( 1.999 3.166 0.663) 3.802 4.044 ( 0.621 1.243 4.251) 4.472 4.142 ( 6.407 -4.270 0.126) 7.700 4.470 ( -0.448 -0.822 0.553) 1.087 5.059 ( -1.944 6.550 -0.811) 6.880 5.139 ( -2.545 3.562 -1.522) 4.635 5.762 ( -1.092 -1.092 -0.883) 1.779 5.852 ( 5.533 -2.679 -2.096) 6.495 7.546 ( -8.923 0.104 -7.250) 11.498 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.902 0.824 -0.198) 2.082 2.395 ( 13.448 3.582 -1.498) 13.997 2.770 ( 3.834 -2.145 2.882) 5.254 3.952 ( 2.941 -0.107 0.755) 3.038 4.128 ( 3.632 2.527 2.587) 5.125 4.224 ( 8.731 -3.246 -0.370) 9.322 4.455 ( -1.096 -0.347 1.332) 1.759 5.062 ( -3.071 3.328 -1.085) 4.657 5.101 ( -4.350 2.623 -1.547) 5.310 5.734 ( -0.428 -0.907 -0.232) 1.029 5.957 ( 8.641 -0.628 -1.051) 8.727 7.323 ( -15.805 1.746 -5.240) 16.742 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 2.214 0.792 0.741) 2.465 2.634 ( 11.895 1.666 -2.254) 12.221 2.822 ( 3.257 -2.600 2.762) 5.000 4.016 ( 5.108 -1.144 -0.566) 5.265 4.187 ( 2.990 -2.089 0.118) 3.650 4.380 ( 7.982 2.308 0.593) 8.330 4.446 ( 0.993 0.449 3.639) 3.799 5.012 ( -3.982 0.601 -0.885) 4.123 5.054 ( -3.592 1.411 -0.313) 3.872 5.734 ( 0.863 0.253 0.529) 1.043 6.102 ( 9.726 -0.903 -1.545) 9.889 7.025 ( -20.083 2.364 -2.589) 20.387 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.722 0.198 0.942) 1.973 2.762 ( 4.354 -7.547 0.343) 8.720 2.858 ( 3.143 2.751 -1.316) 4.379 4.071 ( 4.307 -3.087 -4.243) 6.788 4.199 ( -0.469 -0.726 2.371) 2.524 4.449 ( 2.836 1.440 1.905) 3.708 4.613 ( 9.658 3.623 3.120) 10.776 4.952 ( -3.842 0.003 1.350) 4.072 4.997 ( -2.312 -1.861 -0.298) 2.983 5.767 ( 2.264 0.026 1.010) 2.479 6.238 ( 8.126 -1.770 -3.833) 9.157 6.699 ( -19.992 2.490 0.852) 20.165 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 0.944 -0.276 0.738) 1.229 2.669 ( -2.814 -11.026 -0.135) 11.381 2.947 ( 2.877 3.576 -1.044) 4.707 4.075 ( 1.024 -2.007 -2.204) 3.152 4.180 ( -1.324 -1.001 0.651) 1.783 4.540 ( 4.085 1.922 3.063) 5.456 4.767 ( 2.311 0.126 -2.523) 3.424 4.894 ( -1.160 -0.525 6.512) 6.635 4.968 ( 1.197 -1.268 -1.488) 2.292 5.805 ( 2.432 -1.812 0.722) 3.118 6.202 ( -8.699 -6.302 -3.948) 11.444 6.540 ( -1.114 5.877 1.700) 6.219 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.257 -0.162 0.293) 0.422 2.485 ( -5.891 -10.502 -0.495) 12.051 3.014 ( 1.252 3.597 0.607) 3.857 4.064 ( -1.807 1.083 1.401) 2.530 4.140 ( -0.378 -3.868 -1.337) 4.110 4.617 ( 1.672 0.073 4.004) 4.340 4.674 ( -5.002 -4.490 -2.532) 7.182 4.946 ( 0.520 2.131 2.162) 3.080 4.998 ( 3.572 0.346 -2.046) 4.131 5.799 ( -1.913 -2.176 0.400) 2.925 5.955 ( -6.494 -10.005 -0.388) 11.934 6.659 ( 5.699 6.275 -2.068) 8.725 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -0.447 0.432 -0.564) 0.839 2.283 ( -7.169 -7.474 -0.326) 10.362 3.064 ( -0.344 4.098 1.327) 4.321 4.026 ( -4.694 0.722 1.588) 5.008 4.098 ( 0.634 -3.882 -0.523) 3.969 4.526 ( -3.586 -6.805 0.925) 7.747 4.651 ( -0.716 1.491 1.187) 2.036 4.935 ( -4.687 2.864 0.706) 5.538 5.081 ( 6.574 0.950 -3.650) 7.579 5.691 ( -6.843 -1.680 2.306) 7.414 5.837 ( 3.717 -12.325 -1.866) 13.008 6.800 ( 5.194 5.308 -4.631) 8.752 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.000 0.523 -0.290) 0.598 2.111 ( -0.000 2.246 -0.270) 2.262 2.699 ( 0.000 -1.928 2.004) 2.781 3.920 ( -0.000 2.297 0.699) 2.400 4.045 ( 0.000 -2.942 3.416) 4.508 4.060 ( 0.000 -0.077 0.068) 0.102 4.470 ( 0.000 -0.447 1.119) 1.205 5.119 ( -0.000 3.539 -1.591) 3.880 5.192 ( -0.000 2.449 -0.634) 2.530 5.750 ( 0.000 -2.319 -1.057) 2.549 5.790 ( -0.000 1.310 -1.785) 2.214 7.604 ( -0.000 1.475 -6.374) 6.542 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.999 1.299 1.410) 2.161 2.206 ( 9.466 0.324 -0.522) 9.486 2.716 ( 2.078 -0.325 3.079) 3.729 3.931 ( 0.462 -0.154 1.066) 1.172 4.054 ( 2.794 -4.123 -1.847) 5.312 4.111 ( 5.449 2.059 3.500) 6.796 4.470 ( -0.339 0.049 1.773) 1.806 5.121 ( -1.924 0.707 -0.917) 2.246 5.175 ( -2.706 0.504 -1.189) 2.999 5.736 ( -0.489 0.486 -0.246) 0.732 5.838 ( 4.982 0.805 -1.567) 5.285 7.534 ( -8.511 3.091 -4.849) 10.272 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 1.482 1.026 2.119) 2.782 2.397 ( 13.634 -2.517 -1.363) 13.931 2.770 ( 2.565 0.194 2.873) 3.857 3.955 ( 1.720 -0.101 0.817) 1.907 4.062 ( 5.339 -5.487 -2.234) 7.975 4.275 ( 8.869 3.520 3.306) 10.098 4.469 ( -0.859 0.303 2.518) 2.678 5.057 ( -3.080 -3.033 -1.479) 4.568 5.127 ( -3.606 0.221 0.894) 3.722 5.736 ( -0.298 0.953 -0.229) 1.024 5.952 ( 7.573 1.580 -1.298) 7.844 7.349 ( -15.744 3.757 -2.843) 16.434 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 1.546 -0.091 2.023) 2.548 2.556 ( 10.523 -8.182 -0.975) 13.365 2.819 ( 2.632 0.826 0.015) 2.759 3.972 ( 2.309 -2.086 -3.537) 4.711 4.129 ( 6.706 -2.990 2.390) 7.721 4.444 ( 1.640 2.259 1.000) 2.965 4.509 ( 7.814 2.796 4.586) 9.482 4.976 ( -1.552 -4.282 -0.806) 4.625 5.055 ( -5.010 -1.309 2.702) 5.841 5.741 ( 0.703 -0.690 -0.483) 1.097 6.100 ( 7.464 3.113 -1.716) 8.268 7.070 ( -20.317 3.218 -0.219) 20.572 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.413 -0.938 1.630) 2.352 2.557 ( 2.600 -12.947 0.092) 13.206 2.892 ( 4.975 1.541 -2.453) 5.757 3.981 ( 3.481 -2.850 -4.632) 6.457 4.194 ( 1.465 -1.720 3.356) 4.045 4.490 ( 3.334 1.175 2.091) 4.107 4.696 ( 6.641 2.175 0.334) 6.996 4.919 ( 0.196 -5.362 0.293) 5.373 4.973 ( -3.998 0.291 5.367) 6.699 5.739 ( 1.777 -3.456 -1.176) 4.061 6.215 ( 1.609 2.763 -3.161) 4.496 6.773 ( -17.268 3.567 3.914) 18.061 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 1.151 -0.867 1.209) 1.881 2.433 ( -1.468 -12.891 0.197) 12.976 2.982 ( 4.833 1.287 -2.025) 5.396 4.003 ( 4.005 -2.778 -3.546) 6.028 4.170 ( -2.818 -1.865 2.207) 4.036 4.575 ( 3.846 -0.446 2.651) 4.692 4.690 ( -3.145 -4.457 -4.274) 6.930 4.900 ( 2.589 -3.299 0.474) 4.220 5.013 ( 1.191 5.174 6.435) 8.343 5.723 ( 2.285 -5.716 -2.030) 6.482 6.100 ( -13.450 -1.961 -1.859) 13.719 6.691 ( -1.504 7.273 5.835) 9.445 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -0.000 2.056 2.954) 3.599 2.114 ( 0.000 -1.880 0.019) 1.880 2.719 ( -0.000 1.876 3.840) 4.274 3.907 ( 0.000 -3.493 -0.447) 3.522 4.028 ( 0.000 -0.664 1.892) 2.005 4.062 ( -0.000 0.076 0.225) 0.238 4.482 ( 0.000 0.423 2.125) 2.167 5.120 ( 0.000 -4.102 -1.730) 4.452 5.192 ( 0.000 -0.210 -0.226) 0.308 5.769 ( -0.000 4.423 0.603) 4.464 5.790 ( -0.000 -0.033 -1.804) 1.805 7.629 ( -0.000 4.692 -4.067) 6.209 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.148 1.129 3.321) 3.511 2.163 ( 8.776 -4.541 -0.397) 9.889 2.765 ( 0.831 2.172 3.877) 4.522 3.901 ( 4.473 -4.512 0.350) 6.363 3.978 ( -2.601 -1.154 -0.848) 2.969 4.165 ( 8.184 1.723 1.803) 8.556 4.491 ( -0.376 0.433 2.327) 2.397 5.036 ( -1.391 -7.916 -2.542) 8.429 5.176 ( -1.927 -0.572 1.662) 2.608 5.758 ( -1.533 0.528 -1.557) 2.248 5.882 ( 4.785 5.950 0.807) 7.678 7.593 ( -8.794 5.407 -2.990) 10.748 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.550 -0.936 2.801) 3.004 2.276 ( 11.492 -8.936 -1.250) 14.611 2.800 ( 0.617 0.328 2.055) 2.171 3.917 ( 1.144 -4.245 -3.606) 5.686 3.990 ( 6.315 -0.715 3.783) 7.396 4.358 ( 10.503 3.400 1.468) 11.137 4.493 ( -0.569 0.097 2.472) 2.538 4.928 ( -0.592 -8.750 -1.504) 8.898 5.126 ( -3.684 -1.547 2.721) 4.834 5.726 ( -0.951 -1.527 -2.419) 3.014 6.047 ( 5.598 8.547 1.718) 10.361 7.420 ( -16.489 4.787 -1.326) 17.221 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 1.370 -2.416 2.193) 3.539 2.332 ( 8.114 -13.686 -1.124) 15.950 2.822 ( 2.727 -0.898 -0.633) 2.940 3.893 ( 2.003 -3.044 -3.972) 5.390 4.116 ( 6.631 -1.545 4.726) 8.288 4.477 ( 0.563 0.612 0.750) 1.120 4.587 ( 8.990 2.345 0.912) 9.335 4.848 ( 1.136 -7.577 -0.006) 7.662 5.054 ( -3.894 -1.191 4.034) 5.732 5.681 ( -0.188 -3.430 -3.048) 4.592 6.224 ( 3.540 9.137 1.806) 9.963 7.144 ( -20.323 3.692 2.013) 20.754 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 2.180 -2.451 1.856) 3.769 2.282 ( 3.549 -14.961 -0.160) 15.377 2.881 ( 5.859 -1.114 -2.046) 6.305 3.898 ( 3.500 -2.753 -3.635) 5.748 4.172 ( 0.850 -3.220 3.207) 4.623 4.519 ( 3.341 0.609 0.986) 3.537 4.653 ( 0.388 -5.568 -3.281) 6.475 4.834 ( 2.118 -2.676 0.285) 3.424 5.053 ( 1.813 3.054 5.848) 6.842 5.637 ( 0.718 -4.215 -2.939) 5.188 6.289 ( -7.226 5.129 -0.353) 8.868 6.902 ( -12.735 5.531 8.761) 16.417 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 -0.416 3.581) 3.605 2.033 ( 0.000 -6.749 -0.099) 6.750 2.799 ( -0.000 2.066 4.557) 5.003 3.806 ( 0.000 -6.034 -0.226) 6.039 4.055 ( -0.000 2.546 0.975) 2.727 4.055 ( 0.000 -0.887 0.035) 0.888 4.506 ( 0.000 0.318 2.087) 2.111 4.940 ( 0.000 -11.269 -3.110) 11.690 5.190 ( 0.000 -1.429 2.322) 2.726 5.765 ( 0.000 -1.353 -1.326) 1.895 5.928 ( -0.000 11.094 1.481) 11.192 7.715 ( -0.000 6.337 -3.117) 7.062 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -0.365 -3.343 2.788) 4.368 2.018 ( 7.232 -10.162 -0.736) 12.494 2.813 ( -0.945 -1.142 3.614) 3.906 3.791 ( 4.699 -5.809 -0.207) 7.475 3.982 ( -2.460 0.475 0.899) 2.662 4.215 ( 9.998 2.865 0.683) 10.423 4.510 ( -0.513 -0.185 1.683) 1.769 4.819 ( 0.460 -11.654 -2.102) 11.851 5.165 ( -1.925 -2.180 2.591) 3.895 5.728 ( -1.774 -1.794 -1.607) 2.992 6.085 ( 3.271 13.112 2.309) 13.709 7.687 ( -9.353 6.018 -2.809) 11.472 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 0.983 -5.440 1.964) 5.866 2.040 ( 9.193 -14.136 -1.547) 16.933 2.778 ( -0.116 -4.609 1.639) 4.893 3.808 ( 3.107 -4.417 -2.305) 5.872 4.015 ( 4.940 -0.494 3.864) 6.291 4.424 ( 9.211 2.461 -0.287) 9.539 4.507 ( 0.983 0.318 1.424) 1.759 4.729 ( 2.257 -9.805 -0.958) 10.107 5.108 ( -3.069 -2.266 2.902) 4.793 5.667 ( -2.195 -2.119 -2.217) 3.772 6.286 ( 3.357 13.533 3.448) 14.363 7.506 ( -16.996 4.695 -0.919) 17.656 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.149 -5.692 1.699) 6.723 2.030 ( 7.739 -16.123 -1.231) 17.926 2.763 ( 4.213 -5.246 0.283) 6.735 3.807 ( 2.720 -3.294 -2.891) 5.158 4.105 ( 4.609 -3.258 3.573) 6.680 4.477 ( 1.985 -1.161 -0.550) 2.364 4.573 ( 1.412 -3.971 0.249) 4.221 4.743 ( 6.975 -1.202 -2.974) 7.677 5.063 ( -0.511 -0.968 3.984) 4.131 5.609 ( -1.469 -1.280 -1.807) 2.657 6.445 ( -1.858 11.285 2.599) 11.729 7.243 ( -18.065 4.169 5.117) 19.233 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 -6.984 2.028) 7.273 1.845 ( 0.000 -12.427 -0.731) 12.448 2.809 ( 0.000 -5.374 3.567) 6.450 3.692 ( 0.000 -5.469 0.636) 5.506 4.034 ( 0.000 -1.266 0.468) 1.350 4.131 ( -0.000 4.148 0.067) 4.149 4.515 ( 0.000 -0.724 1.138) 1.348 4.696 ( 0.000 -11.020 -0.689) 11.041 5.165 ( 0.000 -2.676 2.150) 3.433 5.722 ( 0.000 -2.330 -0.336) 2.354 6.208 ( -0.000 16.195 1.758) 16.291 7.815 ( -0.000 6.364 -4.247) 7.651 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.562 -9.659 1.081) 9.736 1.761 ( 5.932 -15.401 -1.328) 16.557 2.726 ( -0.984 -10.721 1.991) 10.949 3.689 ( 4.429 -4.579 0.262) 6.376 3.987 ( -1.395 -0.986 1.374) 2.192 4.279 ( 10.281 2.845 -0.505) 10.680 4.503 ( -0.089 -2.084 0.978) 2.304 4.613 ( 0.595 -7.302 1.034) 7.399 5.131 ( -1.581 -2.711 1.686) 3.563 5.681 ( -1.896 -2.089 -0.323) 2.839 6.398 ( 2.070 16.957 2.581) 17.276 7.775 ( -9.742 5.592 -4.454) 12.083 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 3.453 -10.239 0.717) 10.829 1.722 ( 8.612 -17.111 -1.748) 19.235 2.624 ( 2.947 -12.659 1.264) 13.058 3.716 ( 3.346 -3.718 -1.483) 5.218 4.002 ( 3.998 -3.062 2.127) 5.466 4.417 ( 2.505 -3.419 0.669) 4.291 4.546 ( 6.064 2.750 -0.183) 6.661 4.575 ( 3.168 -4.629 -0.961) 5.691 5.082 ( -1.835 -2.070 1.947) 3.383 5.631 ( -1.951 -0.355 -0.500) 2.045 6.596 ( 0.409 15.552 3.460) 15.937 7.586 ( -16.173 4.200 -0.970) 16.737 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.000 -13.323 0.226) 13.325 1.547 ( 0.000 -17.261 -1.374) 17.315 2.597 ( 0.000 -18.215 0.132) 18.216 3.611 ( 0.000 -3.579 1.446) 3.860 4.019 ( 0.000 -0.852 1.149) 1.430 4.178 ( -0.000 0.613 -1.384) 1.514 4.466 ( 0.000 -6.340 3.354) 7.172 4.585 ( 0.000 0.019 1.753) 1.753 5.121 ( 0.000 -2.660 0.440) 2.696 5.676 ( 0.000 -2.562 1.035) 2.763 6.562 ( -0.000 18.521 2.264) 18.658 7.895 ( -0.000 5.931 -7.497) 9.560 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 2.541 -14.685 -0.325) 14.907 1.418 ( 5.827 -18.549 -1.681) 19.515 2.410 ( 2.727 -22.152 -0.840) 22.335 3.619 ( 3.422 -2.956 0.686) 4.573 3.966 ( -2.334 -1.880 1.202) 3.229 4.291 ( 10.077 -0.599 -2.217) 10.336 4.419 ( 1.300 -6.982 4.988) 8.679 4.597 ( -1.030 2.462 1.090) 2.883 5.089 ( -0.949 -1.945 -0.081) 2.166 5.649 ( -0.858 -1.455 1.092) 2.012 6.760 ( 0.767 17.728 3.786) 18.144 7.837 ( -9.662 5.065 -7.723) 13.366 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 -19.819 -1.462) 19.872 1.176 ( 0.000 -17.571 -0.874) 17.593 2.121 ( 0.000 -29.009 -3.208) 29.186 3.571 ( 0.000 -1.922 1.876) 2.685 4.016 ( 0.000 -0.403 1.109) 1.179 4.144 ( 0.000 -2.567 -1.747) 3.105 4.365 ( 0.000 -7.887 7.763) 11.067 4.637 ( -0.000 3.189 -0.108) 3.191 5.079 ( 0.000 -1.114 -1.067) 1.543 5.643 ( 0.000 -2.066 2.398) 3.165 6.940 ( -0.000 17.300 5.981) 18.304 7.936 ( -0.000 5.706 -13.269) 14.444 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.000 -0.000 17.904) 17.904 0.399 ( 0.000 -0.000 17.904) 17.904 0.692 ( 0.000 -0.000 31.743) 31.743 3.545 ( 0.000 0.000 -0.164) 0.164 3.545 ( 0.000 0.000 -0.164) 0.164 3.977 ( -0.000 0.000 -2.911) 2.911 3.977 ( -0.000 0.000 -2.911) 2.911 5.026 ( -0.000 0.000 -7.033) 7.033 5.629 ( -0.000 -0.000 2.067) 2.067 5.629 ( 0.000 -0.000 2.067) 2.067 6.064 ( 0.000 -0.000 2.528) 2.528 9.523 ( 0.000 -0.000 0.791) 0.791 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 10.325 5.961 14.201) 18.542 0.607 ( 10.800 6.235 12.974) 17.996 1.043 ( 19.101 11.028 18.665) 28.894 3.571 ( 1.421 0.820 0.387) 1.686 3.722 ( 9.895 5.713 -7.831) 13.852 3.963 ( 0.037 0.021 -3.093) 3.093 4.083 ( 10.598 6.119 -3.338) 12.685 4.938 ( -5.702 -3.292 -3.682) 7.544 5.231 ( -11.690 -6.749 12.673) 18.515 5.686 ( 2.018 1.165 3.059) 3.846 6.653 ( 24.494 14.141 -21.246) 35.374 8.912 ( -38.367 -22.151 24.051) 50.410 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 12.183 7.034 8.102) 16.234 0.923 ( 13.634 7.872 7.935) 17.630 1.562 ( 22.315 12.883 6.224) 26.508 3.612 ( 2.011 1.161 1.011) 2.533 3.898 ( 8.834 5.100 -3.461) 10.771 3.959 ( 0.618 0.357 -3.006) 3.089 4.369 ( 14.561 8.407 -1.872) 16.918 4.799 ( -5.807 -3.352 1.263) 6.823 5.108 ( -4.517 -2.608 4.349) 6.791 5.729 ( 0.773 0.446 2.427) 2.586 6.933 ( 8.696 5.021 -18.955) 21.450 8.191 ( -33.571 -19.382 18.051) 42.762 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 11.813 6.820 2.151) 13.809 1.256 ( 13.962 8.061 4.333) 16.694 2.057 ( 20.700 11.951 -0.242) 23.903 3.669 ( 2.737 1.580 1.669) 3.574 3.970 ( 1.252 0.723 -2.701) 3.063 4.104 ( 9.555 5.517 1.672) 11.159 4.653 ( 3.397 1.961 -2.732) 4.780 4.732 ( 6.336 3.658 7.114) 10.205 5.018 ( -4.373 -2.525 -0.468) 5.071 5.733 ( -0.984 -0.568 0.805) 1.392 6.968 ( 0.684 0.395 -14.701) 14.723 7.507 ( -31.745 -18.328 6.437) 37.217 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.945 5.742 -2.084) 11.672 1.565 ( 12.509 7.222 1.834) 14.560 2.477 ( 17.144 9.898 -2.169) 19.915 3.746 ( 3.477 2.008 2.056) 4.511 3.995 ( 1.630 0.941 -2.069) 2.797 4.319 ( 8.217 4.744 5.241) 10.839 4.606 ( -2.521 -1.455 2.208) 3.653 4.904 ( -4.380 -2.529 -1.851) 5.385 5.018 ( 11.464 6.619 3.020) 13.578 5.695 ( -2.255 -1.302 -0.620) 2.676 6.814 ( -29.046 -16.770 4.302) 33.815 6.909 ( -2.538 -1.466 -18.006) 18.243 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 6.957 4.016 -3.897) 8.928 1.820 ( 9.754 5.632 0.450) 11.272 2.800 ( 12.268 7.083 -2.231) 14.341 3.833 ( 3.608 2.083 1.700) 4.499 4.026 ( 1.581 0.913 -1.050) 2.106 4.494 ( 4.758 2.747 8.139) 9.820 4.569 ( -1.403 -0.810 0.635) 1.740 4.812 ( -1.761 -1.017 -4.366) 4.817 5.241 ( 6.688 3.862 2.277) 8.052 5.638 ( -2.320 -1.339 -0.776) 2.789 6.188 ( -24.403 -14.089 -5.077) 28.632 6.842 ( -0.190 -0.110 -7.535) 7.538 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 3.957 2.285 -3.718) 5.891 2.000 ( 6.254 3.611 -0.007) 7.221 3.001 ( 6.506 3.756 -3.727) 8.387 3.909 ( 2.625 1.515 0.636) 3.097 4.054 ( 0.966 0.558 0.018) 1.115 4.476 ( -4.687 -2.706 0.326) 5.422 4.628 ( 2.976 1.718 2.035) 3.994 4.833 ( 4.672 2.697 -0.642) 5.433 5.282 ( -4.165 -2.405 -2.952) 5.643 5.597 ( -1.136 -0.656 0.607) 1.446 5.770 ( -9.928 -5.732 -2.003) 11.637 6.859 ( 2.829 1.633 0.738) 3.349 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.118 1.223 -2.703) 3.645 2.097 ( 2.373 1.370 0.046) 2.741 3.067 ( 1.291 0.745 -6.922) 7.080 3.948 ( 0.603 0.348 -0.386) 0.796 4.065 ( -0.056 -0.033 0.460) 0.465 4.364 ( -4.209 -2.430 -4.716) 6.773 4.656 ( -0.295 -0.170 -1.400) 1.440 4.989 ( 7.478 4.318 3.007) 9.144 5.113 ( -6.525 -3.767 -2.258) 7.866 5.596 ( 0.519 0.300 2.655) 2.722 5.686 ( -0.278 -0.161 1.462) 1.497 6.970 ( 5.510 3.181 8.464) 10.588 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.198 0.692 -1.441) 1.998 2.105 ( -1.739 -1.004 0.343) 2.037 3.033 ( -1.405 -0.811 -7.913) 8.077 3.925 ( -2.471 -1.427 -1.205) 3.098 4.061 ( -0.330 -0.191 0.349) 0.517 4.267 ( -2.427 -1.401 -7.353) 7.869 4.625 ( -1.286 -0.743 -3.049) 3.392 4.969 ( -5.305 -3.063 3.445) 7.028 5.182 ( 6.117 3.532 0.053) 7.063 5.633 ( 1.513 0.873 3.913) 4.286 5.728 ( 4.074 2.352 2.554) 5.353 7.154 ( 7.191 4.152 14.049) 16.319 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -1.446 -0.835 -0.325) 1.702 2.019 ( -6.232 -3.598 0.663) 7.227 2.965 ( -2.761 -1.594 -4.828) 5.786 3.837 ( -4.553 -2.629 -1.970) 5.614 4.054 ( -0.391 -0.226 0.089) 0.460 4.208 ( -0.475 -0.274 -7.633) 7.653 4.585 ( -1.525 -0.880 -2.315) 2.908 4.856 ( -5.825 -3.363 1.639) 6.923 5.238 ( -0.659 -0.380 -1.235) 1.450 5.679 ( 1.217 0.702 3.464) 3.738 5.917 ( 11.773 6.797 2.249) 13.780 7.376 ( 7.550 4.359 16.642) 18.787 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -6.822 -3.939 -0.108) 7.878 1.828 ( -11.046 -6.377 0.749) 12.777 2.852 ( -7.439 -4.295 -0.517) 8.605 3.725 ( -4.470 -2.581 -2.376) 5.682 4.043 ( -0.552 -0.319 -0.269) 0.692 4.186 ( 0.227 0.131 -4.873) 4.880 4.543 ( -1.476 -0.852 -1.264) 2.122 4.724 ( -5.307 -3.064 -3.614) 7.115 5.185 ( -3.187 -1.840 0.119) 3.682 5.702 ( -0.055 -0.032 1.498) 1.500 6.233 ( 15.627 9.022 -0.735) 18.060 7.595 ( 6.673 3.852 16.229) 17.965 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -12.027 -6.944 -0.136) 13.888 1.535 ( -15.120 -8.730 0.750) 17.476 2.588 ( -16.832 -9.718 1.811) 19.520 3.631 ( -3.113 -1.797 -2.285) 4.260 4.029 ( -0.523 -0.302 -0.673) 0.904 4.173 ( -0.737 -0.426 -0.486) 0.981 4.502 ( -2.886 -1.666 -3.181) 4.607 4.619 ( -1.477 -0.853 -4.927) 5.214 5.117 ( -2.730 -1.576 1.125) 3.347 5.686 ( -1.368 -0.790 -0.909) 1.823 6.592 ( 16.812 9.706 -3.440) 19.715 7.781 ( 5.253 3.033 14.009) 15.265 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.000 10.429 12.829) 16.533 0.671 ( -0.000 11.912 15.601) 19.629 1.126 ( -0.000 21.147 18.869) 28.341 3.528 ( 0.000 -0.427 -0.459) 0.627 3.744 ( -0.000 14.385 -6.439) 15.760 3.961 ( -0.000 0.398 -3.412) 3.435 4.011 ( -0.000 4.950 -2.281) 5.450 4.921 ( 0.000 -5.434 -5.637) 7.830 5.294 ( 0.000 -15.710 13.380) 20.636 5.600 ( 0.000 -1.716 1.214) 2.102 6.637 ( -0.000 28.790 -14.927) 32.429 9.027 ( 0.000 -36.847 18.098) 41.052 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 7.450 11.571 9.982) 17.001 0.893 ( 5.990 12.241 11.640) 17.922 1.483 ( 9.919 21.947 8.767) 25.630 3.567 ( 3.998 -0.107 0.037) 4.000 3.836 ( 0.998 6.765 -3.277) 7.583 3.983 ( 0.746 5.672 -4.268) 7.138 4.184 ( 13.617 6.279 -2.269) 15.165 4.823 ( -2.651 -5.817 -2.275) 6.786 5.169 ( -4.349 -6.023 7.115) 10.286 5.652 ( 5.455 -3.421 1.406) 6.590 6.850 ( 4.079 13.334 -13.777) 19.602 8.537 ( -23.469 -27.426 16.252) 39.586 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 7.395 10.168 6.343) 14.082 1.181 ( 9.789 12.745 6.169) 17.214 1.904 ( 14.199 18.576 0.822) 23.395 3.641 ( 3.568 1.553 0.844) 3.982 3.908 ( 3.939 0.374 -1.094) 4.105 4.078 ( 3.397 9.781 -1.504) 10.463 4.498 ( 15.672 6.087 -2.015) 16.933 4.726 ( -1.780 -4.698 1.723) 5.311 5.069 ( -4.482 -3.311 1.581) 5.793 5.693 ( 2.872 -3.755 0.715) 4.781 6.918 ( 0.637 2.635 -11.443) 11.760 7.894 ( -30.479 -19.624 8.243) 37.175 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 7.494 8.190 0.746) 11.126 1.488 ( 9.667 12.661 3.336) 16.275 2.308 ( 15.071 14.082 -2.005) 20.723 3.722 ( 3.157 2.861 1.465) 4.505 3.964 ( 2.710 1.065 -1.990) 3.527 4.262 ( 7.040 7.724 3.103) 10.902 4.621 ( -0.879 -2.432 -0.109) 2.588 4.854 ( 14.513 3.055 3.575) 15.255 4.957 ( -5.267 -2.389 -2.669) 6.369 5.682 ( 0.180 -3.630 0.125) 3.636 6.869 ( -1.205 -3.180 -7.968) 8.663 7.211 ( -32.872 -13.277 -1.055) 35.468 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 6.601 5.861 -2.729) 9.240 1.761 ( 7.696 11.608 1.525) 14.011 2.656 ( 13.138 9.605 -1.995) 16.397 3.812 ( 3.085 3.524 1.570) 4.940 4.010 ( 1.848 2.114 -1.813) 3.343 4.458 ( 6.564 5.436 4.602) 9.686 4.587 ( -1.045 -2.307 3.157) 4.048 4.836 ( -4.605 -1.243 -4.987) 6.901 5.105 ( 11.621 -0.326 0.054) 11.625 5.642 ( -1.077 -2.412 0.821) 2.766 6.546 ( -30.753 -9.136 -3.003) 32.222 6.803 ( -0.242 -2.235 -7.072) 7.421 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 4.706 3.574 -3.687) 6.965 1.975 ( 4.757 9.892 0.655) 10.996 2.905 ( 8.542 5.341 -2.650) 10.417 3.898 ( 2.316 3.702 0.863) 4.451 4.052 ( 0.995 2.286 -0.766) 2.608 4.532 ( -3.595 -2.441 -0.634) 4.391 4.609 ( 3.111 3.466 5.175) 6.962 4.789 ( 1.841 1.697 -3.302) 4.144 5.204 ( 4.790 -7.218 -4.168) 9.613 5.626 ( -0.498 1.214 2.540) 2.859 6.018 ( -23.276 -0.947 -4.230) 23.677 6.802 ( 3.917 -2.019 0.966) 4.512 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 2.822 1.938 -3.234) 4.709 2.113 ( 1.201 7.906 0.487) 8.012 3.019 ( 2.833 1.577 -5.480) 6.367 3.961 ( 0.611 3.698 -0.140) 3.750 4.073 ( -0.508 0.966 -0.010) 1.092 4.423 ( -5.633 -0.558 -4.283) 7.099 4.657 ( -0.269 0.505 -0.683) 0.891 4.906 ( 7.698 4.085 1.667) 8.873 5.126 ( -1.649 -7.884 -3.161) 8.653 5.659 ( -0.692 4.698 3.073) 5.656 5.746 ( -9.365 1.786 -0.417) 9.543 6.900 ( 7.389 -0.966 7.811) 10.795 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 1.839 1.064 -2.354) 3.171 2.169 ( -2.793 5.870 0.730) 6.541 3.010 ( -0.685 -0.860 -7.872) 7.949 3.980 ( -2.889 3.427 -0.660) 4.530 4.052 ( -0.609 -1.864 -0.828) 2.129 4.324 ( -5.132 3.118 -5.914) 8.428 4.628 ( -1.368 -0.723 -3.526) 3.851 5.024 ( -3.114 -3.872 2.797) 5.702 5.095 ( 8.114 3.312 1.061) 8.828 5.660 ( -3.151 1.837 2.805) 4.601 5.734 ( 1.683 5.049 2.294) 5.795 7.074 ( 9.771 -0.543 12.468) 15.850 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.628 -0.138 -1.383) 1.525 2.135 ( -7.246 3.509 1.101) 8.126 2.952 ( -1.015 -2.167 -6.642) 7.060 3.912 ( -5.994 -0.054 -0.980) 6.074 4.037 ( 0.364 -0.364 -2.245) 2.303 4.271 ( -4.512 6.403 -5.404) 9.516 4.588 ( -1.095 -0.980 -3.073) 3.406 4.932 ( -5.491 -3.222 3.358) 7.198 5.212 ( 2.969 -0.151 -0.765) 3.070 5.658 ( 0.903 -0.981 3.802) 4.029 5.870 ( 5.617 9.636 1.745) 11.289 7.291 ( 10.930 -0.907 14.415) 18.113 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -3.377 -2.511 -0.881) 4.300 1.997 ( -12.049 0.315 1.194) 12.112 2.885 ( -2.329 -3.755 -2.958) 5.318 3.799 ( -6.198 -0.481 -1.170) 6.326 4.029 ( -0.359 0.160 -2.599) 2.629 4.258 ( -3.666 8.345 -3.619) 9.807 4.549 ( -1.143 -1.323 -1.848) 2.544 4.794 ( -7.494 -3.561 0.073) 8.298 5.200 ( -1.296 -2.549 -0.983) 3.023 5.679 ( 1.575 -2.417 2.882) 4.078 6.116 ( 10.525 11.668 -0.546) 15.723 7.510 ( 10.691 -2.017 13.545) 17.373 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -9.176 -4.604 -0.653) 10.287 1.748 ( -16.321 -2.860 1.130) 16.608 2.739 ( -9.691 -6.580 -0.352) 11.719 3.696 ( -5.602 0.568 -0.999) 5.719 4.005 ( -0.998 -1.099 -1.956) 2.456 4.277 ( -3.774 9.193 -0.268) 9.941 4.515 ( -1.191 -1.084 -1.265) 2.048 4.637 ( -5.410 -3.042 -3.732) 7.242 5.141 ( -2.089 -2.628 -0.197) 3.363 5.676 ( 0.362 -2.700 0.635) 2.797 6.426 ( 13.681 11.154 -2.762) 17.867 7.696 ( 9.621 -3.703 10.615) 14.797 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.000 14.706 7.853) 16.671 1.013 ( -0.000 12.435 12.519) 17.645 1.671 ( -0.000 25.177 5.609) 25.794 3.526 ( -0.000 0.551 -0.055) 0.554 3.948 ( -0.000 0.758 -3.353) 3.437 3.969 ( -0.000 13.204 -4.332) 13.897 4.116 ( -0.000 6.326 -0.047) 6.326 4.773 ( 0.000 -6.375 -2.549) 6.866 5.165 ( 0.000 -6.488 5.870) 8.749 5.587 ( 0.000 -0.176 0.751) 0.771 6.898 ( -0.000 7.812 -8.394) 11.467 8.504 ( 0.000 -27.940 10.363) 29.800 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 4.168 13.979 6.780) 16.086 1.202 ( 4.865 12.304 7.899) 15.410 1.958 ( 4.442 23.166 -0.021) 23.588 3.580 ( 4.707 1.343 0.393) 4.911 3.902 ( -1.885 2.490 -0.968) 3.270 4.129 ( 1.990 10.676 -2.782) 11.210 4.291 ( 13.210 5.426 0.150) 14.282 4.699 ( -0.857 -5.590 -0.661) 5.694 5.103 ( -2.734 -3.997 1.877) 5.194 5.618 ( 2.618 -0.664 0.655) 2.779 6.902 ( -0.563 -1.720 -5.311) 5.611 8.132 ( -17.386 -20.670 3.461) 27.231 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.073 9.828 3.318) 10.818 1.484 ( 8.825 14.607 4.236) 17.583 2.259 ( 8.026 18.194 -2.739) 20.073 3.689 ( 5.033 2.894 0.752) 5.854 3.925 ( 1.959 1.831 -0.621) 2.753 4.263 ( 3.538 9.093 0.836) 9.793 4.560 ( 9.312 1.394 -2.504) 9.743 4.666 ( 5.876 -2.555 3.623) 7.360 5.011 ( -4.500 -2.301 -1.901) 5.400 5.645 ( 1.186 -1.130 1.048) 1.945 6.815 ( -1.222 -9.209 -2.741) 9.686 7.595 ( -26.721 -11.456 -4.167) 29.371 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 3.833 7.272 -0.927) 8.272 1.777 ( 7.350 14.758 2.673) 16.703 2.554 ( 10.191 12.485 -2.084) 16.250 3.801 ( 3.695 4.240 1.240) 5.759 3.983 ( 2.934 2.057 -1.625) 3.935 4.425 ( 5.351 6.581 2.696) 8.900 4.578 ( 0.442 -2.269 1.744) 2.896 4.872 ( 12.079 -2.726 0.673) 12.401 4.901 ( -4.408 0.044 -5.912) 7.375 5.648 ( -0.445 -0.246 2.478) 2.530 6.684 ( -1.040 -13.942 2.326) 14.173 7.028 ( -28.514 -0.947 -11.410) 30.727 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 3.791 4.854 -2.780) 6.757 2.024 ( 4.363 13.982 1.607) 14.735 2.811 ( 8.950 7.416 -1.253) 11.691 3.903 ( 2.630 4.774 1.228) 5.587 4.048 ( 2.421 2.820 -1.356) 3.957 4.520 ( 1.067 -1.822 -0.691) 2.222 4.626 ( 3.030 4.495 5.707) 7.871 4.802 ( -3.477 1.542 -4.946) 6.240 4.999 ( 8.229 -7.511 -5.004) 12.214 5.657 ( -0.324 1.725 3.343) 3.776 6.406 ( -21.966 -4.345 -1.070) 22.417 6.724 ( -1.178 -1.991 -3.853) 4.494 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 2.859 2.981 -2.917) 5.056 2.202 ( 0.958 12.551 1.329) 12.658 2.969 ( 4.210 3.120 -2.618) 5.858 3.985 ( 1.344 4.615 0.137) 4.809 4.099 ( 0.119 2.779 0.125) 2.784 4.477 ( -2.439 -1.129 -3.863) 4.706 4.685 ( -2.305 2.236 -0.294) 3.225 4.835 ( 5.317 4.066 0.033) 6.694 5.001 ( 4.763 -8.579 -3.705) 10.489 5.693 ( 0.794 2.810 2.146) 3.624 6.039 ( -19.523 4.554 -1.828) 20.130 6.767 ( 7.742 -4.350 5.922) 10.674 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.816 1.852 -2.433) 3.557 2.306 ( -2.793 10.906 1.682) 11.383 2.995 ( -0.734 -0.085 -5.196) 5.248 4.031 ( 0.066 2.131 -1.887) 2.847 4.090 ( -3.901 2.247 1.005) 4.613 4.420 ( -3.433 3.990 -5.572) 7.665 4.638 ( -2.409 -0.347 -4.330) 4.968 4.993 ( 5.313 -0.206 0.130) 5.319 4.997 ( 5.040 -1.158 2.701) 5.834 5.738 ( -0.292 1.963 -0.144) 1.990 5.845 ( -9.541 7.216 2.816) 12.290 6.912 ( 10.939 -4.653 10.196) 15.661 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.006 0.907 -1.851) 2.294 2.327 ( -7.259 8.835 2.272) 11.658 2.933 ( -2.162 -2.059 -6.007) 6.707 3.979 ( -3.607 -3.512 -1.014) 5.135 4.076 ( -2.987 6.352 -1.791) 7.244 4.399 ( -3.820 7.479 -4.733) 9.640 4.586 ( -1.412 -0.723 -3.756) 4.077 4.977 ( -1.580 -2.911 2.871) 4.383 5.139 ( 5.487 0.288 0.254) 5.500 5.692 ( -3.934 0.439 2.050) 4.458 5.897 ( 2.485 8.965 1.802) 9.476 7.102 ( 12.806 -5.596 11.346) 18.001 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.089 -0.624 -1.445) 1.914 2.238 ( -12.531 5.082 2.132) 13.690 2.864 ( -1.085 -2.768 -3.745) 4.782 3.878 ( -4.458 -2.304 0.198) 5.022 4.076 ( -3.080 5.967 -3.778) 7.705 4.401 ( -3.794 8.949 -2.969) 10.163 4.547 ( -1.129 -0.850 -2.353) 2.745 4.891 ( -6.565 -2.943 1.870) 7.433 5.172 ( 0.906 -2.941 -1.597) 3.467 5.658 ( -0.930 -1.585 3.544) 3.992 6.078 ( 7.138 10.736 -0.994) 12.931 7.300 ( 13.441 -7.184 9.744) 18.089 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -5.525 -2.053 -1.247) 6.024 2.024 ( -16.752 0.821 1.555) 16.844 2.794 ( -3.847 -3.303 -1.427) 5.267 3.790 ( -4.801 -0.381 1.092) 4.938 4.056 ( -3.938 4.406 -3.854) 7.055 4.425 ( -2.929 8.128 -0.480) 8.652 4.520 ( -0.813 0.766 -1.103) 1.569 4.726 ( -9.071 -2.960 -0.328) 9.547 5.132 ( -0.704 -3.336 -1.708) 3.814 5.643 ( 0.302 -2.863 2.309) 3.690 6.321 ( 10.335 10.216 -3.172) 14.874 7.470 ( 12.805 -9.254 5.851) 16.848 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.000 16.029 4.304) 16.597 1.305 ( -0.000 10.228 7.409) 12.630 2.150 ( -0.000 22.710 -2.659) 22.865 3.552 ( -0.000 1.935 0.739) 2.072 3.950 ( -0.000 1.651 -2.399) 2.912 4.204 ( -0.000 12.757 -0.148) 12.758 4.234 ( -0.000 4.268 2.746) 5.076 4.651 ( 0.000 -4.862 -0.401) 4.878 5.094 ( 0.000 -3.239 0.150) 3.242 5.605 ( -0.000 1.610 0.315) 1.641 6.841 ( 0.000 -9.821 -1.728) 9.972 8.092 ( 0.000 -16.933 -2.760) 17.156 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.417 8.868 3.405) 9.508 1.506 ( 6.575 15.180 3.145) 16.839 2.355 ( 1.741 18.883 -4.152) 19.412 3.625 ( 5.113 2.933 0.848) 5.955 3.943 ( -1.228 2.349 -0.340) 2.672 4.308 ( 2.004 6.632 0.506) 6.947 4.401 ( 9.067 5.738 2.882) 11.111 4.613 ( 0.377 -2.962 1.552) 3.365 5.044 ( -2.504 -1.607 -2.567) 3.930 5.634 ( 0.886 1.727 0.518) 2.009 6.702 ( -0.594 -16.136 -0.440) 16.153 7.817 ( -14.006 -9.792 -8.170) 18.942 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 1.169 6.752 -0.355) 6.862 1.796 ( 8.786 14.886 2.329) 17.442 2.551 ( 4.534 13.631 -2.728) 14.622 3.762 ( 6.163 4.127 0.307) 7.423 3.963 ( 0.969 1.963 0.714) 2.303 4.425 ( 3.878 5.889 1.735) 7.261 4.528 ( 3.175 -2.829 -0.200) 4.257 4.682 ( 7.447 1.430 3.556) 8.376 4.966 ( -4.319 0.489 -4.901) 6.551 5.665 ( 0.305 1.770 1.910) 2.622 6.533 ( 0.863 -17.554 0.467) 17.581 7.409 ( -22.417 -2.600 -11.532) 25.343 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 2.150 4.899 -2.159) 5.769 2.081 ( 6.824 14.619 1.523) 16.205 2.750 ( 6.818 8.411 -0.438) 10.836 3.900 ( 4.485 5.335 0.397) 6.981 4.017 ( 3.030 1.751 0.767) 3.582 4.489 ( 0.103 -1.617 0.170) 1.630 4.606 ( 6.899 2.955 2.074) 7.786 4.795 ( 5.343 -3.348 -0.273) 6.311 4.884 ( -4.892 2.711 -6.133) 8.301 5.691 ( -0.322 1.997 2.615) 3.306 6.424 ( 3.433 -13.443 3.267) 14.254 6.971 ( -23.641 2.416 -11.542) 26.419 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 2.420 3.435 -2.336) 4.807 2.308 ( 3.130 13.844 1.201) 14.244 2.918 ( 5.367 3.972 0.015) 6.677 4.009 ( 1.814 5.394 0.907) 5.762 4.101 ( 3.570 2.809 0.939) 4.639 4.459 ( -0.087 -2.671 -2.051) 3.369 4.759 ( 3.125 4.947 3.128) 6.635 4.794 ( 1.558 -5.376 -8.751) 10.388 4.834 ( 0.778 1.518 -0.219) 1.719 5.713 ( 0.144 1.866 1.150) 2.197 6.355 ( -8.154 -1.693 2.496) 8.694 6.668 ( -5.847 -1.374 -3.180) 6.796 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.843 2.441 -1.936) 3.620 2.462 ( -0.635 12.624 1.740) 12.759 2.988 ( 0.614 0.382 -1.745) 1.889 4.058 ( -1.387 2.724 -0.606) 3.116 4.168 ( -0.349 3.479 2.394) 4.238 4.442 ( 1.149 0.487 -4.545) 4.714 4.684 ( -4.334 0.770 -7.719) 8.885 4.877 ( 6.381 -3.163 2.658) 7.602 4.920 ( 5.117 3.758 0.678) 6.385 5.746 ( 1.170 2.023 -0.380) 2.368 6.147 ( -16.223 6.566 0.472) 17.508 6.703 ( 10.011 -7.047 6.434) 13.831 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.965 1.653 -1.569) 2.475 2.541 ( -4.826 11.106 2.804) 12.430 2.942 ( -3.178 -2.264 -3.681) 5.365 4.008 ( -4.052 -1.411 -0.804) 4.365 4.189 ( -2.620 5.424 0.585) 6.052 4.463 ( 0.854 2.403 -4.393) 5.080 4.620 ( -3.220 3.708 -5.730) 7.546 4.947 ( 3.122 -2.001 2.561) 4.506 5.043 ( 6.112 0.562 0.426) 6.152 5.766 ( -1.764 1.767 -1.278) 2.805 6.012 ( -7.110 7.322 3.171) 10.688 6.848 ( 12.787 -8.581 7.651) 17.195 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 4.63e-04 4.63e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.212 0.687 -1.413) 1.585 2.511 ( -11.296 6.986 2.832) 13.580 2.854 ( -1.985 -2.137 -2.908) 4.119 3.924 ( -3.811 -1.527 0.825) 4.188 4.189 ( -3.571 5.980 -2.528) 7.410 4.480 ( 0.192 1.700 -2.499) 3.029 4.597 ( -3.510 6.036 -3.425) 7.777 4.947 ( -2.021 -2.049 1.737) 3.362 5.107 ( 2.728 -2.741 -1.900) 4.309 5.712 ( -4.655 0.093 1.981) 5.060 6.076 ( 3.438 8.094 0.522) 8.809 7.007 ( 14.010 -10.292 5.639) 18.276 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -2.663 -0.198 -1.522) 3.074 2.318 ( -16.079 0.867 1.364) 16.160 2.819 ( -1.689 0.364 -0.147) 1.734 3.860 ( -3.621 -0.208 2.304) 4.297 4.164 ( -4.305 4.740 -4.286) 7.705 4.484 ( -0.409 0.781 -0.642) 1.091 4.595 ( -3.215 6.641 -0.733) 7.415 4.847 ( -7.260 -2.051 0.173) 7.546 5.092 ( 0.724 -2.909 -3.160) 4.356 5.648 ( -2.857 -1.776 3.135) 4.598 6.246 ( 7.655 7.171 -2.179) 10.713 7.149 ( 14.020 -11.979 1.129) 18.476 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.000 6.887 1.112) 6.976 1.601 ( -0.000 14.647 1.627) 14.737 2.498 ( -0.000 15.706 -4.978) 16.476 3.616 ( -0.000 3.839 1.791) 4.237 3.978 ( -0.000 2.437 -1.175) 2.705 4.298 ( 0.000 -1.033 5.501) 5.597 4.446 ( -0.000 9.354 2.353) 9.645 4.600 ( 0.000 0.692 2.682) 2.769 5.045 ( -0.000 -0.202 -4.060) 4.065 5.649 ( -0.000 2.822 -0.441) 2.856 6.526 ( 0.000 -20.162 -0.610) 20.171 7.817 ( 0.000 -6.741 -11.373) 13.221 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.063 5.079 -1.485) 5.292 1.801 ( 6.859 13.312 0.874) 15.001 2.621 ( 1.146 11.163 -3.282) 11.692 3.706 ( 4.666 4.602 1.440) 6.710 3.989 ( -0.784 2.172 0.809) 2.446 4.349 ( 5.989 -3.479 4.660) 8.348 4.499 ( -0.257 0.658 0.480) 0.854 4.680 ( 1.659 8.426 5.101) 9.989 5.015 ( -2.270 1.792 -5.439) 6.160 5.683 ( 0.683 2.877 -0.052) 2.957 6.332 ( 1.072 -19.467 -1.409) 19.547 7.626 ( -11.492 -2.945 -12.969) 17.576 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.967 3.745 -2.395) 4.549 2.074 ( 9.814 12.467 0.335) 15.870 2.739 ( 3.565 6.690 -0.260) 7.585 3.851 ( 6.345 4.900 -0.102) 8.017 4.011 ( 0.627 1.612 3.533) 3.934 4.443 ( 7.730 -5.600 0.948) 9.592 4.491 ( 0.421 -0.576 1.514) 1.673 4.789 ( -0.009 7.017 2.338) 7.396 4.971 ( -3.863 3.706 -5.432) 7.627 5.720 ( 0.205 2.271 0.919) 2.459 6.210 ( 5.314 -14.380 -0.298) 15.333 7.310 ( -18.783 0.606 -12.462) 22.549 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 1.948 2.953 -1.940) 4.035 2.346 ( 7.906 11.880 -0.273) 14.273 2.866 ( 5.265 2.899 1.841) 6.286 4.003 ( 6.304 4.813 -1.304) 8.038 4.069 ( 2.149 2.034 5.318) 6.086 4.439 ( -0.571 -2.362 -1.339) 2.775 4.565 ( 8.569 -6.418 0.469) 10.716 4.843 ( -1.005 6.619 -0.283) 6.701 4.916 ( -5.047 4.052 -4.310) 7.776 5.732 ( -0.468 0.897 0.135) 1.021 6.239 ( 9.563 -7.848 3.168) 12.770 6.948 ( -20.942 2.863 -9.539) 23.190 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.054 2.406 -1.234) 3.396 2.557 ( 4.018 10.995 0.027) 11.707 2.959 ( 2.975 -0.303 1.314) 3.266 4.119 ( -0.199 4.823 0.788) 4.891 4.154 ( 5.101 0.741 2.783) 5.858 4.409 ( 0.135 -0.553 -1.705) 1.798 4.622 ( 6.149 -5.445 -3.914) 9.098 4.862 ( -3.135 4.300 -0.660) 5.362 4.908 ( 1.201 4.749 -0.712) 4.950 5.741 ( 0.840 0.984 -0.381) 1.349 6.351 ( 5.636 -2.129 4.136) 7.308 6.629 ( -14.278 0.369 -4.150) 14.873 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.306 1.813 -0.859) 2.394 2.694 ( 0.116 9.879 1.285) 9.963 2.954 ( -1.762 -3.195 -0.754) 3.726 4.090 ( -5.694 0.921 0.937) 5.844 4.233 ( 2.326 0.650 0.529) 2.472 4.431 ( 1.986 1.473 -1.689) 2.994 4.664 ( 2.212 3.413 -6.565) 7.722 4.886 ( 2.328 0.751 3.300) 4.108 4.973 ( 2.812 1.467 -0.606) 3.229 5.776 ( 1.539 1.821 -0.975) 2.576 6.280 ( -14.539 6.087 1.322) 15.817 6.577 ( 10.707 -9.326 3.072) 14.528 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.236 1.106 -0.860) 1.421 2.740 ( -6.942 5.451 2.076) 9.068 2.863 ( -2.169 -2.369 -1.417) 3.511 4.000 ( -5.508 0.400 2.138) 5.922 4.253 ( -0.077 0.624 -2.257) 2.343 4.474 ( 0.929 2.723 -0.693) 2.960 4.697 ( -1.760 6.390 -4.623) 8.081 4.940 ( 1.584 -0.751 2.405) 2.976 5.020 ( 3.384 -2.233 -2.031) 4.535 5.791 ( -2.370 1.615 -1.103) 3.073 6.153 ( -5.655 4.080 3.622) 7.857 6.694 ( 12.528 -9.897 1.437) 16.030 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -1.100 0.550 -1.188) 1.709 2.558 ( -12.956 -3.667 -0.155) 13.465 2.868 ( -1.159 4.262 2.044) 4.867 3.938 ( -4.201 1.353 3.377) 5.557 4.231 ( -1.762 0.032 -3.488) 3.908 4.505 ( -0.571 3.458 -0.648) 3.565 4.699 ( -2.829 3.642 -0.312) 4.622 4.918 ( -3.542 -1.632 0.256) 3.908 5.030 ( 2.390 -1.588 -5.099) 5.851 5.722 ( -5.574 -0.414 1.952) 5.921 6.190 ( 3.960 1.693 1.732) 4.642 6.808 ( 12.594 -9.700 -2.808) 16.143 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.000 3.397 -2.960) 4.506 1.856 ( -0.000 10.999 -0.061) 10.999 2.689 ( -0.000 6.876 -2.240) 7.232 3.724 ( -0.000 5.493 2.531) 6.048 4.020 ( -0.000 2.274 -0.437) 2.316 4.263 ( 0.000 -7.083 7.976) 10.667 4.504 ( 0.000 -0.701 0.564) 0.900 4.790 ( -0.000 11.358 5.150) 12.471 5.039 ( -0.000 3.372 -5.627) 6.560 5.701 ( -0.000 3.088 -1.516) 3.440 6.131 ( 0.000 -17.652 -2.848) 17.881 7.649 ( -0.000 -1.953 -13.794) 13.931 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.430 2.320 -2.817) 3.674 2.021 ( 7.839 9.263 -0.532) 12.147 2.744 ( 1.599 2.931 0.276) 3.351 3.817 ( 3.451 5.238 1.700) 6.499 4.035 ( -0.123 1.518 2.066) 2.566 4.268 ( 5.668 -7.481 5.133) 10.697 4.494 ( -0.442 -1.091 1.258) 1.722 4.897 ( -1.448 9.422 2.012) 9.742 5.045 ( -2.060 4.824 -4.268) 6.762 5.734 ( 0.816 2.589 -1.127) 2.939 5.994 ( 3.411 -12.760 -2.815) 13.505 7.507 ( -9.638 0.066 -13.240) 16.376 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 1.540 2.050 -1.466) 2.954 2.272 ( 11.448 8.257 -1.360) 14.180 2.811 ( 4.005 0.251 2.838) 4.914 3.933 ( 4.879 2.881 0.332) 5.676 4.082 ( 2.086 2.712 4.809) 5.901 4.323 ( 7.339 -6.512 0.332) 9.818 4.479 ( -0.512 -1.531 2.487) 2.965 4.942 ( -2.505 7.488 -1.221) 7.990 5.024 ( -4.415 4.459 -3.131) 7.013 5.746 ( -0.650 0.118 -0.744) 0.995 6.008 ( 9.475 -6.093 -0.542) 11.278 7.255 ( -16.171 2.289 -10.950) 19.663 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 2.175 1.975 -0.310) 2.954 2.527 ( 9.860 7.540 -2.087) 12.587 2.892 ( 4.527 -1.866 3.664) 6.116 4.038 ( 6.255 -0.398 0.403) 6.280 4.173 ( 2.015 3.680 3.630) 5.548 4.381 ( 4.673 -2.145 -2.147) 5.572 4.474 ( 2.302 -2.823 3.641) 5.150 4.962 ( -2.368 4.686 -1.666) 5.509 4.972 ( -4.508 4.917 -2.529) 7.134 5.736 ( 0.215 -0.033 -0.104) 0.241 6.145 ( 11.523 -4.011 0.682) 12.220 6.951 ( -19.283 3.512 -7.186) 20.876 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.820 1.579 0.126) 2.413 2.724 ( 6.135 6.691 -1.473) 9.197 2.924 ( 1.104 -4.481 1.987) 5.024 4.124 ( 5.237 -3.040 -1.869) 6.337 4.204 ( -2.394 1.295 2.647) 3.797 4.420 ( 1.927 1.743 0.261) 2.612 4.570 ( 7.973 1.357 1.618) 8.248 4.927 ( -2.848 2.761 -0.499) 3.998 4.978 ( -1.245 2.902 -1.276) 3.406 5.759 ( 1.784 0.982 0.526) 2.104 6.298 ( 11.317 -4.834 -0.126) 12.307 6.639 ( -19.244 3.108 -2.659) 19.674 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.842 0.934 0.001) 1.258 2.848 ( -3.929 -4.588 0.312) 6.049 2.855 ( 2.845 3.248 -0.320) 4.330 4.105 ( -3.561 -1.055 0.843) 3.809 4.200 ( 1.821 -1.520 -1.364) 2.736 4.491 ( 2.292 3.691 1.235) 4.517 4.717 ( 4.425 4.171 -1.552) 6.276 4.925 ( 0.101 0.550 3.272) 3.320 4.969 ( -0.271 -0.518 -2.453) 2.521 5.806 ( 1.643 1.511 0.039) 2.232 6.340 ( -8.919 -6.423 -0.005) 10.991 6.449 ( 4.267 1.697 -0.009) 4.592 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -0.211 0.478 -0.435) 0.680 2.671 ( -7.938 -8.360 -0.533) 11.540 2.934 ( 0.547 5.021 1.404) 5.242 4.044 ( -4.397 1.500 3.275) 5.684 4.200 ( 1.405 -2.946 -2.808) 4.305 4.557 ( 0.103 4.753 0.064) 4.755 4.753 ( -1.753 -0.273 -0.044) 1.774 4.939 ( 0.166 -1.337 1.068) 1.719 4.966 ( 1.404 1.043 -4.023) 4.387 5.810 ( -3.240 0.753 -0.363) 3.346 6.160 ( -2.923 -8.003 3.804) 9.331 6.566 ( 7.952 0.265 -3.177) 8.567 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 1.466 -2.145) 2.598 2.024 ( -0.000 6.602 -0.565) 6.626 2.744 ( 0.000 -0.448 1.803) 1.858 3.848 ( -0.000 5.110 2.107) 5.528 4.052 ( -0.000 1.088 -0.116) 1.095 4.166 ( 0.000 -7.560 7.269) 10.488 4.491 ( 0.000 -1.156 1.810) 2.148 4.998 ( -0.000 7.616 -1.304) 7.727 5.106 ( -0.000 5.803 -1.151) 5.916 5.743 ( -0.000 2.575 -2.614) 3.669 5.848 ( 0.000 -8.978 -3.015) 9.470 7.545 ( -0.000 1.012 -13.032) 13.071 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.961 1.539 -0.359) 1.850 2.152 ( 8.613 4.863 -0.972) 9.938 2.760 ( 2.315 -1.830 3.741) 4.765 3.911 ( 1.624 2.900 1.358) 3.590 4.077 ( 2.079 1.192 1.550) 2.854 4.163 ( 4.588 -5.982 4.321) 8.690 4.486 ( -0.351 -0.904 2.552) 2.730 5.040 ( -1.702 6.168 -2.839) 7.001 5.126 ( -3.253 4.084 -1.040) 5.324 5.750 ( -0.572 -0.630 -1.321) 1.571 5.826 ( 6.048 -2.232 -2.771) 7.018 7.448 ( -8.410 2.829 -11.441) 14.478 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 1.805 1.775 0.973) 2.712 2.375 ( 12.747 3.636 -2.239) 13.444 2.812 ( 3.987 -2.319 4.970) 6.780 3.964 ( 2.640 0.036 1.620) 3.097 4.136 ( 4.246 -1.653 -0.902) 4.645 4.245 ( 7.435 -0.493 4.169) 8.538 4.480 ( -0.801 -0.474 3.432) 3.556 5.045 ( -2.896 3.860 -1.925) 5.195 5.082 ( -4.468 3.370 -2.112) 5.982 5.732 ( -0.090 -0.515 -0.051) 0.525 5.939 ( 9.200 -0.959 -2.249) 9.520 7.250 ( -14.779 4.292 -8.600) 17.630 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 1.888 1.395 1.307) 2.687 2.605 ( 11.853 2.081 -3.084) 12.424 2.858 ( 2.509 -3.828 3.949) 6.045 4.009 ( 3.542 -2.405 -0.642) 4.329 4.189 ( 4.717 -2.392 0.232) 5.294 4.393 ( 4.878 2.931 2.044) 6.047 4.495 ( 3.020 0.808 5.465) 6.296 4.997 ( -3.484 0.985 -1.824) 4.054 5.050 ( -3.601 2.996 -0.356) 4.698 5.742 ( 1.221 0.295 0.942) 1.570 6.079 ( 9.691 -1.702 -2.749) 10.216 6.986 ( -18.600 4.460 -4.920) 19.749 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.311 0.590 0.986) 1.744 2.758 ( 6.177 -5.333 -1.153) 8.242 2.853 ( 1.191 -0.385 0.297) 1.287 4.030 ( 3.791 -3.946 -3.506) 6.499 4.226 ( -0.140 -0.453 2.765) 2.805 4.465 ( 3.179 2.065 1.135) 3.957 4.651 ( 7.648 3.161 4.104) 9.238 4.958 ( -1.456 0.594 -0.689) 1.717 5.000 ( -4.080 -0.213 1.249) 4.272 5.779 ( 2.397 -0.362 1.200) 2.705 6.195 ( 7.070 -2.692 -4.235) 8.670 6.702 ( -17.774 4.294 -0.222) 18.286 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -0.000 1.902 1.346) 2.330 2.108 ( -0.000 2.450 -0.338) 2.473 2.736 ( 0.000 -1.689 4.932) 5.213 3.927 ( -0.000 1.479 0.601) 1.596 4.062 ( 0.000 0.068 0.289) 0.297 4.092 ( 0.000 -4.618 5.490) 7.174 4.491 ( 0.000 -0.520 2.931) 2.977 5.097 ( -0.000 4.838 -2.418) 5.408 5.180 ( -0.000 1.487 -1.735) 2.285 5.739 ( 0.000 -1.223 -1.007) 1.584 5.763 ( -0.000 1.696 -3.309) 3.718 7.513 ( -0.000 4.394 -10.785) 11.645 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.778 2.265 2.446) 3.424 2.198 ( 8.798 0.559 -0.874) 8.859 2.763 ( 2.029 -0.637 5.814) 6.191 3.946 ( 1.474 -0.170 1.569) 2.160 4.040 ( 0.798 -4.319 -0.851) 4.474 4.152 ( 6.309 0.405 4.372) 7.686 4.497 ( -0.227 -0.117 3.316) 3.326 5.107 ( -2.091 0.652 -1.780) 2.822 5.158 ( -2.253 1.768 -2.070) 3.534 5.731 ( -0.392 0.486 -0.804) 1.018 5.815 ( 5.126 1.789 -2.661) 6.047 7.461 ( -7.982 5.831 -9.102) 13.437 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.076 1.506 2.445) 3.066 2.377 ( 12.930 -2.005 -2.249) 13.277 2.811 ( 1.782 -1.085 4.937) 5.360 3.963 ( -0.161 -1.514 0.762) 1.703 4.050 ( 6.910 -4.084 -0.136) 8.028 4.311 ( 8.778 2.439 3.699) 9.833 4.502 ( -0.413 -0.028 3.695) 3.719 5.037 ( -2.765 -2.925 -2.420) 4.696 5.134 ( -3.178 1.881 0.574) 3.737 5.730 ( 0.290 0.011 -1.064) 1.103 5.936 ( 7.054 3.039 -1.830) 7.896 7.299 ( -14.680 6.084 -6.629) 17.218 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 1.112 0.157 1.854) 2.168 2.539 ( 11.251 -7.196 -2.278) 13.549 2.829 ( 0.785 -1.074 1.786) 2.227 3.941 ( 1.339 -3.284 -2.402) 4.283 4.159 ( 7.097 -1.455 3.103) 7.881 4.458 ( 1.924 1.868 1.647) 3.147 4.556 ( 7.264 1.436 4.252) 8.539 4.964 ( -1.175 -3.542 -1.432) 3.997 5.083 ( -4.409 -0.124 2.557) 5.098 5.731 ( 1.476 -2.248 -1.468) 3.064 6.085 ( 6.181 4.923 -1.207) 7.994 7.053 ( -18.531 5.317 -3.082) 19.524 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 2.647 3.317) 4.244 2.114 ( 0.000 -1.781 -0.126) 1.785 2.774 ( 0.000 1.408 6.419) 6.572 3.904 ( 0.000 -3.667 -0.037) 3.667 4.061 ( 0.000 -2.055 4.354) 4.814 4.064 ( 0.000 -0.103 0.155) 0.186 4.510 ( 0.000 0.124 3.239) 3.241 5.094 ( 0.000 -5.206 -3.273) 6.149 5.190 ( -0.000 2.175 -0.264) 2.191 5.763 ( -0.000 0.676 -3.282) 3.351 5.772 ( -0.000 5.049 -0.082) 5.050 7.561 ( -0.000 7.243 -8.835) 11.424 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -0.156 1.245 3.053) 3.301 2.157 ( 8.147 -4.435 -0.824) 9.312 2.815 ( 0.195 1.236 5.683) 5.819 3.903 ( 4.606 -5.298 0.035) 7.021 3.985 ( -2.994 -0.659 1.844) 3.577 4.188 ( 8.690 0.787 2.617) 9.110 4.520 ( -0.290 -0.065 3.056) 3.070 5.005 ( -0.893 -7.779 -3.298) 8.496 5.192 ( -1.767 0.614 1.275) 2.264 5.734 ( -1.555 0.305 -2.925) 3.327 5.886 ( 4.729 7.600 0.094) 8.951 7.535 ( -8.182 7.562 -7.893) 13.653 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.236 -1.021 2.257) 2.488 2.259 ( 11.120 -8.653 -1.894) 14.216 2.828 ( -0.737 -0.813 3.147) 3.333 3.889 ( 0.583 -4.629 -1.845) 5.017 4.033 ( 6.764 -0.203 4.311) 8.024 4.376 ( 10.099 2.247 1.959) 10.530 4.520 ( -0.152 -0.590 2.693) 2.761 4.910 ( 0.162 -8.167 -1.809) 8.367 5.152 ( -3.324 -1.007 2.199) 4.111 5.695 ( -1.011 -1.679 -3.333) 3.866 6.064 ( 5.403 10.111 1.524) 11.565 7.383 ( -15.026 6.726 -5.826) 17.463 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.000 -0.705 2.751) 2.840 2.030 ( 0.000 -6.891 -0.360) 6.900 2.851 ( 0.000 1.156 5.433) 5.555 3.808 ( 0.000 -5.905 0.656) 5.942 4.055 ( 0.000 -0.790 -0.038) 0.791 4.081 ( -0.000 1.157 3.934) 4.101 4.531 ( 0.000 -0.321 2.551) 2.571 4.908 ( 0.000 -10.493 -3.058) 10.929 5.211 ( 0.000 -0.882 1.664) 1.883 5.745 ( -0.000 -0.414 -2.475) 2.509 5.938 ( -0.000 11.849 0.288) 11.852 7.653 ( -0.000 8.085 -8.732) 11.900 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.481 -3.817 1.957) 4.316 2.009 ( 6.775 -10.270 -1.048) 12.348 2.851 ( -1.687 -2.115 3.502) 4.425 3.791 ( 3.684 -5.713 0.373) 6.808 4.001 ( -1.116 0.092 2.497) 2.736 4.229 ( 9.844 1.975 1.979) 10.234 4.529 ( -0.502 -0.925 1.939) 2.206 4.801 ( 0.691 -10.437 -1.282) 10.538 5.187 ( -1.751 -2.077 1.676) 3.193 5.707 ( -2.420 -0.866 -2.399) 3.516 6.105 ( 3.969 13.859 1.474) 14.492 7.627 ( -8.398 7.477 -8.558) 14.131 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 -7.605 1.254) 7.708 1.836 ( 0.000 -12.692 -0.812) 12.718 2.839 ( 0.000 -6.625 2.081) 6.944 3.704 ( 0.000 -5.332 1.627) 5.574 4.039 ( 0.000 -0.899 0.418) 0.991 4.146 ( -0.000 2.258 2.751) 3.559 4.529 ( 0.000 -1.274 1.405) 1.897 4.699 ( 0.000 -8.962 1.330) 9.060 5.181 ( 0.000 -2.957 0.878) 3.085 5.715 ( 0.000 -1.278 -0.994) 1.619 6.223 ( -0.000 16.758 1.219) 16.803 7.737 ( -0.000 7.335 -10.671) 12.949 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 -0.000 15.846) 15.846 0.576 ( 0.000 -0.000 15.846) 15.846 1.011 ( 0.000 -0.000 29.183) 29.183 3.542 ( 0.000 0.000 -0.407) 0.407 3.542 ( -0.000 0.000 -0.407) 0.407 3.943 ( -0.000 0.000 -3.483) 3.483 3.943 ( -0.000 0.000 -3.483) 3.483 4.941 ( -0.000 0.000 -9.014) 9.014 5.654 ( 0.000 -0.000 2.566) 2.566 5.654 ( -0.000 -0.000 2.566) 2.566 6.092 ( 0.000 -0.000 2.871) 2.871 9.533 ( 0.000 -0.000 1.011) 1.011 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 8.419 4.861 12.326) 15.699 0.744 ( 8.804 5.083 15.246) 18.325 1.240 ( 11.615 6.706 18.558) 22.898 3.571 ( 1.708 0.986 -0.337) 2.001 3.663 ( 9.173 5.296 -3.697) 11.218 3.930 ( 0.130 0.075 -3.216) 3.219 4.047 ( 10.529 6.079 -3.498) 12.651 4.877 ( -2.757 -1.592 -7.363) 8.022 5.347 ( -13.051 -7.535 9.243) 17.679 5.716 ( 1.951 1.127 2.496) 3.363 6.493 ( 19.792 11.427 -10.426) 25.120 9.098 ( -32.775 -18.922 12.667) 39.909 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 8.558 4.941 12.409) 15.863 1.006 ( 11.677 6.742 7.805) 15.580 1.621 ( 18.086 10.442 4.707) 21.408 3.617 ( 2.438 1.407 -0.039) 2.815 3.876 ( 10.721 6.190 -0.817) 12.406 3.928 ( 0.716 0.413 -2.906) 3.021 4.341 ( 15.340 8.857 -3.319) 18.021 4.789 ( -2.976 -1.718 -2.807) 4.437 5.160 ( -7.354 -4.246 5.162) 9.938 5.749 ( 0.275 0.158 1.215) 1.256 6.766 ( 8.641 4.989 -12.900) 16.309 8.356 ( -36.377 -21.002 13.397) 44.089 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 8.366 4.830 5.355) 11.045 1.302 ( 12.547 7.244 4.250) 15.098 2.051 ( 19.280 11.131 -0.912) 22.281 3.681 ( 3.186 1.840 0.449) 3.707 3.942 ( 1.435 0.829 -2.557) 3.047 4.129 ( 11.104 6.411 3.065) 13.183 4.611 ( 5.675 3.277 -5.028) 8.260 4.792 ( 7.059 4.076 3.954) 9.059 5.017 ( -6.566 -3.791 0.385) 7.592 5.735 ( -1.517 -0.876 -0.304) 1.778 6.822 ( 1.073 0.620 -12.290) 12.352 7.585 ( -35.508 -20.501 7.951) 41.765 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 7.972 4.602 -0.464) 9.217 1.585 ( 11.623 6.711 1.889) 13.554 2.456 ( 16.943 9.782 -1.938) 19.660 3.761 ( 3.703 2.138 0.710) 4.334 3.973 ( 2.006 1.158 -1.912) 3.003 4.372 ( 8.979 5.184 4.756) 11.407 4.624 ( -0.561 -0.324 0.881) 1.093 4.866 ( -6.149 -3.550 -3.956) 8.128 5.049 ( 11.164 6.445 1.258) 12.952 5.687 ( -2.400 -1.386 -0.929) 2.923 6.701 ( -15.111 -8.724 -14.942) 22.972 6.914 ( -18.102 -10.451 8.619) 22.610 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 6.378 3.683 -3.196) 8.029 1.826 ( 9.340 5.393 0.687) 10.807 2.775 ( 11.868 6.852 -2.659) 13.960 3.845 ( 3.476 2.007 0.348) 4.029 4.016 ( 2.090 1.207 -0.900) 2.576 4.544 ( 3.892 2.247 0.569) 4.530 4.608 ( -2.254 -1.301 7.633) 8.064 4.753 ( -0.342 -0.197 -6.608) 6.620 5.240 ( 5.419 3.129 -3.136) 7.000 5.634 ( -1.889 -1.090 -0.017) 2.181 6.128 ( -23.307 -13.456 -5.777) 27.526 6.828 ( 0.609 0.352 4.599) 4.653 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 4.184 2.415 -3.686) 6.076 2.001 ( 6.131 3.540 0.259) 7.084 2.953 ( 5.212 3.009 -5.412) 8.094 3.912 ( 2.372 1.370 -0.210) 2.747 4.054 ( 1.310 0.756 -0.084) 1.515 4.455 ( -6.333 -3.657 -3.887) 8.282 4.647 ( 0.703 0.406 0.579) 0.997 4.832 ( 6.924 3.998 0.904) 8.046 5.234 ( -4.284 -2.473 -5.513) 7.407 5.611 ( -0.366 -0.211 2.043) 2.087 5.762 ( -7.712 -4.452 0.281) 8.909 6.913 ( 4.560 2.633 9.336) 10.719 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 2.641 1.525 -3.219) 4.434 2.098 ( 2.410 1.391 0.188) 2.789 2.983 ( 0.360 0.208 -8.844) 8.854 3.943 ( 0.348 0.201 -0.496) 0.638 4.069 ( 0.030 0.017 0.155) 0.158 4.303 ( -5.166 -2.983 -6.547) 8.857 4.629 ( -1.234 -0.712 -3.806) 4.064 5.017 ( 8.376 4.836 2.445) 9.976 5.106 ( -4.965 -2.867 0.945) 5.811 5.631 ( 1.085 0.626 3.944) 4.138 5.702 ( 0.013 0.007 1.526) 1.526 7.085 ( 7.021 4.053 12.995) 15.316 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 1.887 1.089 -2.363) 3.214 2.109 ( -1.600 -0.924 0.325) 1.876 2.943 ( -0.450 -0.260 -8.967) 8.982 3.914 ( -2.837 -1.638 -0.933) 3.406 4.064 ( -0.358 -0.207 0.234) 0.475 4.189 ( -2.766 -1.597 -7.305) 7.972 4.589 ( -0.924 -0.534 -3.836) 3.982 5.010 ( -5.223 -3.015 4.236) 7.370 5.184 ( 5.046 2.913 0.232) 5.831 5.677 ( 1.445 0.834 4.440) 4.743 5.752 ( 4.490 2.592 1.897) 5.521 7.306 ( 8.148 4.704 14.420) 17.218 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.973 -0.562 -1.600) 1.955 2.025 ( -6.104 -3.524 0.563) 7.071 2.910 ( -0.614 -0.355 -5.547) 5.592 3.819 ( -4.877 -2.816 -1.434) 5.811 4.055 ( -0.549 -0.317 0.086) 0.640 4.135 ( 0.101 0.059 -6.234) 6.235 4.559 ( -0.891 -0.514 -2.651) 2.843 4.878 ( -7.748 -4.474 2.553) 9.304 5.226 ( -0.591 -0.341 -1.229) 1.406 5.715 ( 0.485 0.280 3.228) 3.276 5.934 ( 10.984 6.341 0.999) 12.722 7.535 ( 7.774 4.488 13.471) 16.188 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -0.000 7.806 12.083) 14.385 0.832 ( -0.000 11.668 14.817) 18.860 1.321 ( -0.000 12.759 17.884) 21.969 3.524 ( 0.000 -0.325 -0.284) 0.432 3.695 ( -0.000 12.553 -3.430) 13.013 3.924 ( -0.000 0.425 -3.643) 3.667 3.987 ( -0.000 6.047 -2.141) 6.415 4.847 ( 0.000 -2.972 -7.994) 8.529 5.412 ( 0.000 -15.920 9.239) 18.407 5.619 ( 0.000 -2.324 2.265) 3.246 6.523 ( -0.000 25.527 -7.816) 26.696 9.165 ( 0.000 -31.924 9.334) 33.261 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 7.480 9.630 9.417) 15.407 1.027 ( 3.355 10.343 13.914) 17.659 1.564 ( 6.749 16.525 6.516) 19.002 3.566 ( 4.157 0.175 -0.183) 4.165 3.812 ( 2.362 8.177 -1.495) 8.641 3.943 ( 1.280 4.974 -3.366) 6.141 4.160 ( 12.696 7.404 -2.246) 14.868 4.780 ( -1.025 -3.408 -5.380) 6.451 5.241 ( -6.218 -8.372 6.375) 12.222 5.669 ( 5.273 -4.049 1.719) 6.867 6.732 ( 2.715 14.727 -9.019) 17.481 8.674 ( -22.969 -29.864 10.246) 39.043 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 5.088 7.631 9.026) 12.868 1.245 ( 7.669 11.442 6.142) 15.082 1.904 ( 12.922 16.586 -0.935) 21.046 3.644 ( 3.843 1.902 -0.163) 4.292 3.897 ( 3.093 0.634 -0.983) 3.307 4.074 ( 5.864 10.457 0.613) 12.004 4.466 ( 14.215 6.395 -3.916) 16.072 4.733 ( 1.600 -2.529 -0.525) 3.038 5.089 ( -6.221 -5.411 2.053) 8.497 5.699 ( 2.376 -3.781 0.622) 4.508 6.814 ( -0.596 5.426 -8.340) 9.968 7.971 ( -31.456 -24.666 6.498) 40.498 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.802 6.231 2.896) 8.383 1.521 ( 8.564 12.367 2.962) 15.332 2.286 ( 15.130 13.659 -2.123) 20.493 3.730 ( 3.451 3.207 -0.014) 4.711 3.944 ( 2.328 1.322 -1.568) 3.102 4.299 ( 8.352 7.584 3.734) 11.883 4.607 ( 1.959 0.080 -2.662) 3.306 4.874 ( 12.861 1.385 0.333) 12.939 4.935 ( -6.276 -3.750 -1.760) 7.519 5.685 ( -0.283 -2.660 0.449) 2.712 6.782 ( -3.561 1.776 -7.669) 8.640 7.227 ( -31.887 -20.103 3.582) 37.865 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.221 5.110 -1.377) 7.434 1.777 ( 6.955 11.644 1.497) 13.645 2.634 ( 12.990 9.720 -2.051) 16.353 3.820 ( 3.076 3.781 -0.163) 4.877 3.994 ( 2.176 2.159 -1.076) 3.248 4.494 ( 5.861 3.943 2.308) 7.431 4.629 ( 1.551 -0.650 4.295) 4.613 4.775 ( -5.932 -1.752 -5.899) 8.547 5.084 ( 10.726 -2.086 -4.411) 11.784 5.656 ( -1.324 -0.551 1.567) 2.124 6.476 ( -29.962 -5.148 -8.665) 31.612 6.813 ( 0.250 -6.816 7.410) 10.071 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 4.315 3.615 -2.983) 6.371 1.983 ( 4.333 10.122 0.911) 11.048 2.872 ( 7.260 5.386 -3.657) 9.752 3.900 ( 2.110 3.789 -0.603) 4.379 4.047 ( 1.427 2.406 -0.222) 2.806 4.509 ( -4.467 -2.971 -3.219) 6.256 4.655 ( -0.926 0.946 1.588) 2.067 4.762 ( 5.664 3.470 -0.304) 6.649 5.148 ( 4.818 -7.155 -6.152) 10.595 5.653 ( -0.682 2.253 2.521) 3.449 5.978 ( -21.106 -0.361 -3.115) 21.337 6.861 ( 5.831 -2.473 9.984) 11.823 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 2.894 2.297 -3.180) 4.875 2.120 ( 0.926 8.324 0.799) 8.413 2.953 ( 0.946 1.792 -6.911) 7.202 3.955 ( 0.560 3.486 -0.859) 3.633 4.074 ( -0.565 1.019 0.165) 1.177 4.368 ( -6.489 -0.918 -6.046) 8.916 4.632 ( -1.541 -0.459 -4.137) 4.438 4.928 ( 8.229 4.102 2.747) 9.596 5.105 ( 0.582 -6.005 -0.753) 6.080 5.691 ( -0.015 4.418 2.836) 5.250 5.748 ( -8.140 1.871 0.966) 8.408 7.010 ( 8.840 -1.177 12.832) 15.626 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 2.159 1.506 -2.854) 3.882 2.178 ( -3.023 6.511 0.926) 7.238 2.922 ( -1.312 0.152 -8.610) 8.710 3.973 ( -2.700 3.399 -0.868) 4.427 4.043 ( -1.220 -2.958 -0.857) 3.312 4.261 ( -5.182 3.968 -5.936) 8.822 4.585 ( -1.095 -0.611 -4.530) 4.701 5.055 ( -1.541 -3.545 2.995) 4.890 5.111 ( 6.902 2.700 1.960) 7.666 5.691 ( -1.933 0.697 2.984) 3.623 5.758 ( 1.356 5.687 2.382) 6.313 7.212 ( 10.719 -1.037 13.458) 17.236 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.042 0.194 -2.339) 2.568 2.147 ( -7.523 4.185 1.067) 8.675 2.881 ( 0.082 -0.597 -6.681) 6.708 3.905 ( -6.540 0.466 -0.411) 6.569 4.010 ( 0.742 -1.804 -2.733) 3.357 4.222 ( -4.397 7.436 -3.922) 9.487 4.554 ( -0.507 -0.585 -3.304) 3.394 4.969 ( -6.041 -3.972 3.584) 8.069 5.203 ( 2.208 -0.603 -0.964) 2.484 5.699 ( 1.024 -1.156 3.763) 4.068 5.883 ( 5.147 8.736 0.794) 10.170 7.430 ( 11.331 -1.881 11.901) 16.540 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -0.000 12.561 7.539) 14.650 1.154 ( -0.000 9.853 14.109) 17.209 1.713 ( -0.000 20.075 2.182) 20.193 3.529 ( -0.000 0.791 0.427) 0.899 3.913 ( -0.000 1.080 -3.089) 3.273 3.936 ( -0.000 14.189 -2.115) 14.346 4.121 ( -0.000 7.650 0.864) 7.699 4.732 ( 0.000 -3.873 -4.729) 6.113 5.224 ( 0.000 -9.543 5.158) 10.847 5.602 ( 0.000 -0.843 2.004) 2.174 6.820 ( -0.000 10.265 -6.714) 12.266 8.586 ( 0.000 -32.040 5.593) 32.524 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 5.591 12.962 6.165) 15.404 1.294 ( 1.627 8.198 9.706) 12.808 1.944 ( 3.955 20.817 -2.763) 21.369 3.585 ( 4.525 1.618 0.483) 4.830 3.893 ( -0.973 2.604 -0.808) 2.895 4.111 ( 3.127 11.800 -0.722) 12.229 4.294 ( 11.002 6.928 0.512) 13.012 4.684 ( 0.262 -3.503 -1.967) 4.027 5.122 ( -3.691 -6.642 1.768) 7.802 5.630 ( 2.586 -1.091 1.691) 3.277 6.849 ( -1.106 1.494 -4.827) 5.173 8.152 ( -17.365 -26.597 0.626) 31.770 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 1.117 6.890 4.525) 8.318 1.525 ( 8.335 13.830 3.537) 16.530 2.227 ( 8.510 17.794 -3.279) 19.995 3.692 ( 5.005 3.115 -0.161) 5.897 3.921 ( 1.424 2.158 -0.115) 2.588 4.280 ( 4.815 9.282 2.256) 10.697 4.530 ( 7.912 2.791 -3.130) 8.955 4.696 ( 6.572 -1.451 2.108) 7.053 4.992 ( -5.417 -4.325 -1.755) 7.151 5.661 ( 1.365 -0.783 1.992) 2.538 6.791 ( -1.269 -5.563 -1.889) 6.010 7.548 ( -26.842 -17.850 -4.633) 32.566 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.518 5.785 0.107) 6.310 1.803 ( 6.846 14.478 2.204) 16.166 2.533 ( 10.681 12.935 -1.904) 16.882 3.803 ( 3.923 4.531 -0.709) 6.035 3.975 ( 2.316 2.409 0.032) 3.342 4.452 ( 5.104 5.428 2.342) 7.810 4.594 ( 2.789 -0.512 1.191) 3.076 4.833 ( 0.238 -1.480 -5.102) 5.318 4.873 ( 4.043 -2.543 -1.872) 5.130 5.677 ( -0.203 0.446 2.869) 2.911 6.720 ( 2.275 -10.165 4.276) 11.260 6.917 ( -30.114 -6.432 -9.155) 32.125 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.204 4.525 -1.833) 5.839 2.041 ( 4.094 13.963 1.583) 14.637 2.795 ( 8.310 8.056 -1.792) 11.711 3.903 ( 2.573 5.213 -1.076) 5.912 4.044 ( 2.384 3.185 0.558) 4.017 4.511 ( -0.296 -2.355 -1.061) 2.600 4.689 ( 3.810 2.781 6.147) 7.749 4.735 ( -3.246 2.446 -7.638) 8.653 4.949 ( 7.296 -6.902 -4.431) 10.978 5.688 ( -0.475 1.419 2.623) 3.020 6.371 ( -25.522 -0.853 -5.401) 26.102 6.743 ( 6.193 -5.919 7.033) 11.084 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 2.642 3.234 -2.355) 4.794 2.218 ( 0.862 12.807 1.671) 12.945 2.934 ( 2.451 3.826 -3.818) 5.935 3.977 ( 0.930 4.697 -1.412) 4.992 4.107 ( 0.189 3.473 1.191) 3.676 4.433 ( -4.066 -1.529 -4.515) 6.266 4.652 ( -3.465 0.366 -5.748) 6.722 4.848 ( 6.744 3.886 2.558) 8.193 4.980 ( 5.987 -6.351 -0.632) 8.751 5.712 ( 0.593 1.700 1.435) 2.302 6.021 ( -17.505 5.753 -1.499) 18.487 6.859 ( 10.026 -5.768 11.065) 16.007 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 1.747 2.308 -2.399) 3.760 2.326 ( -2.872 11.499 2.132) 12.042 2.935 ( -2.331 1.033 -6.122) 6.631 4.008 ( -0.472 1.788 -2.314) 2.962 4.103 ( -4.502 2.612 1.511) 5.420 4.360 ( -3.417 4.440 -5.892) 8.130 4.583 ( -1.700 -0.626 -5.721) 6.001 5.003 ( 5.240 -0.329 1.652) 5.504 5.028 ( 5.713 -1.066 2.934) 6.510 5.735 ( -0.554 1.009 -0.293) 1.188 5.877 ( -7.652 7.566 3.296) 11.254 7.028 ( 12.031 -6.144 11.552) 17.774 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.048 1.361 -2.319) 2.886 2.352 ( -7.606 9.554 2.489) 12.463 2.869 ( -2.211 -0.493 -5.963) 6.379 3.970 ( -2.493 -2.976 -0.634) 3.934 4.058 ( -5.041 5.875 -1.503) 7.886 4.352 ( -3.163 8.095 -4.202) 9.653 4.544 ( -0.598 -0.378 -4.126) 4.186 5.008 ( -1.277 -3.398 2.918) 4.658 5.138 ( 4.396 -0.644 -0.233) 4.449 5.714 ( -1.950 0.287 1.918) 2.750 5.916 ( 0.935 8.198 1.878) 8.462 7.213 ( 13.222 -7.497 9.623) 17.990 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -0.000 14.459 3.871) 14.968 1.386 ( -0.000 6.195 7.738) 9.912 2.110 ( -0.000 21.341 -4.905) 21.897 3.564 ( -0.000 2.250 1.502) 2.705 3.927 ( -0.000 2.165 -1.930) 2.900 4.202 ( -0.000 12.942 0.310) 12.945 4.279 ( -0.000 6.732 5.120) 8.458 4.645 ( 0.000 -2.952 -0.665) 3.026 5.094 ( 0.000 -5.902 -0.058) 5.903 5.614 ( -0.000 0.815 1.312) 1.545 6.820 ( 0.000 -7.245 -2.433) 7.643 8.045 ( 0.000 -22.414 -5.917) 23.182 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.349 5.559 3.051) 6.351 1.536 ( 6.746 13.926 2.551) 15.683 2.309 ( 2.410 18.903 -4.448) 19.568 3.637 ( 4.439 3.155 1.311) 5.602 3.940 ( -0.272 2.781 -0.295) 2.810 4.321 ( 1.954 7.908 1.909) 8.367 4.433 ( 6.169 5.974 3.054) 9.114 4.634 ( 1.490 -0.991 2.659) 3.206 5.015 ( -2.958 -3.755 -2.858) 5.569 5.643 ( 1.523 1.139 1.311) 2.310 6.699 ( -0.294 -15.108 -0.309) 15.114 7.714 ( -13.935 -13.564 -11.210) 22.446 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 0.616 4.880 -0.312) 4.929 1.817 ( 8.908 14.042 1.666) 16.712 2.526 ( 5.451 14.480 -2.112) 15.615 3.762 ( 5.533 4.192 -0.039) 6.942 3.975 ( 0.992 2.837 1.322) 3.283 4.447 ( 3.700 5.714 2.326) 7.193 4.529 ( 3.324 -1.960 0.430) 3.883 4.719 ( 4.892 1.965 3.520) 6.339 4.913 ( -4.568 -0.743 -5.174) 6.942 5.687 ( 1.168 1.411 2.113) 2.796 6.550 ( 2.515 -18.253 2.865) 18.647 7.275 ( -22.105 -3.773 -13.883) 26.374 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 1.942 4.324 -1.453) 4.958 2.094 ( 6.978 13.959 1.026) 15.639 2.746 ( 6.953 9.513 -0.343) 11.788 3.894 ( 4.655 5.480 -1.133) 7.279 4.037 ( 2.239 2.952 2.399) 4.414 4.491 ( -0.489 -2.186 0.137) 2.244 4.628 ( 7.827 1.314 1.940) 8.170 4.787 ( 1.343 -1.111 -1.087) 2.054 4.827 ( -3.674 2.048 -4.538) 6.188 5.714 ( -0.216 1.068 1.703) 2.022 6.476 ( 5.290 -15.040 6.568) 17.243 6.846 ( -21.486 3.417 -11.882) 24.789 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.286 3.564 -1.522) 4.499 2.320 ( 3.616 13.404 1.174) 13.933 2.914 ( 4.172 4.998 -0.821) 6.562 4.007 ( 1.900 6.265 -0.910) 6.609 4.121 ( 2.949 3.389 2.115) 4.966 4.440 ( -1.509 -3.040 -1.570) 3.739 4.702 ( -2.847 -2.145 -8.238) 8.976 4.793 ( 5.074 3.362 3.235) 6.893 4.836 ( 3.298 -0.257 0.349) 3.326 5.722 ( 0.021 0.831 0.588) 1.019 6.361 ( -14.195 1.938 -1.640) 14.421 6.671 ( 4.760 -5.535 3.976) 8.312 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 1.652 2.833 -1.472) 3.595 2.482 ( -0.013 12.493 2.043) 12.659 2.964 ( -1.120 1.441 -2.824) 3.363 4.050 ( -2.298 3.489 -0.766) 4.248 4.191 ( -0.391 3.668 1.733) 4.076 4.399 ( -0.245 0.983 -3.534) 3.677 4.600 ( -3.144 0.189 -7.883) 8.489 4.908 ( 5.882 -2.003 3.106) 6.947 4.931 ( 5.691 2.674 1.379) 6.437 5.741 ( 0.729 1.292 -0.480) 1.560 6.150 ( -14.286 7.403 0.092) 16.090 6.781 ( 12.094 -9.366 8.210) 17.360 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.748 2.089 -1.589) 2.729 2.572 ( -4.383 11.260 3.129) 12.481 2.901 ( -4.190 -1.037 -4.114) 5.963 4.005 ( -4.025 -0.056 0.107) 4.027 4.191 ( -3.979 4.500 -0.046) 6.007 4.422 ( 0.791 3.771 -3.369) 5.119 4.557 ( -1.765 3.689 -6.154) 7.389 4.974 ( 2.741 -2.125 2.523) 4.289 5.047 ( 5.506 -0.538 0.288) 5.540 5.753 ( -0.900 1.530 -1.185) 2.134 6.047 ( -6.827 7.272 3.335) 10.518 6.924 ( 13.412 -11.186 6.714) 18.711 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -0.000 4.020 0.007) 4.020 1.616 ( -0.000 13.611 1.141) 13.659 2.449 ( -0.000 16.452 -4.013) 16.935 3.640 ( -0.000 4.075 2.702) 4.890 3.967 ( -0.000 2.838 -0.945) 2.991 4.357 ( -0.000 1.603 5.578) 5.804 4.474 ( -0.000 6.083 2.574) 6.605 4.644 ( -0.000 3.806 5.950) 7.064 4.999 ( 0.000 -1.955 -4.692) 5.083 5.647 ( -0.000 1.970 -0.021) 1.970 6.520 ( 0.000 -20.929 -0.641) 20.939 7.676 ( 0.000 -8.122 -15.281) 17.306 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.147 3.581 -1.926) 4.069 1.807 ( 7.082 12.497 0.359) 14.368 2.594 ( 1.840 12.416 -1.715) 12.668 3.726 ( 3.671 4.677 2.197) 6.338 3.995 ( 0.463 2.828 0.357) 2.888 4.408 ( 3.898 -2.341 6.560) 7.982 4.505 ( -0.296 0.445 0.547) 0.765 4.743 ( 0.668 7.521 6.919) 10.241 4.954 ( -2.296 1.344 -6.267) 6.808 5.682 ( 1.662 2.151 0.006) 2.718 6.322 ( 1.959 -20.922 -0.511) 21.020 7.470 ( -11.057 -2.637 -16.545) 20.073 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 1.219 3.478 -1.775) 4.090 2.074 ( 9.982 11.662 -0.311) 15.353 2.742 ( 4.146 8.048 0.802) 9.088 3.853 ( 5.206 4.850 0.668) 7.146 4.044 ( 1.555 2.892 2.399) 4.067 4.458 ( 3.189 -6.095 1.921) 7.142 4.517 ( 2.718 -0.287 3.589) 4.511 4.811 ( -1.428 4.942 1.741) 5.430 4.915 ( -3.758 4.793 -5.048) 7.910 5.726 ( 0.700 1.372 0.147) 1.547 6.219 ( 7.616 -15.703 1.992) 17.566 7.165 ( -17.505 1.924 -14.849) 23.035 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 2.033 3.257 -0.910) 3.946 2.341 ( 8.435 11.017 -0.693) 13.893 2.885 ( 4.767 4.106 1.784) 6.540 3.995 ( 5.884 4.871 -0.254) 7.643 4.116 ( 1.962 3.208 3.308) 5.009 4.428 ( -0.454 -3.314 -0.621) 3.402 4.581 ( 5.428 -5.843 2.845) 8.468 4.839 ( -0.827 5.584 -0.462) 5.663 4.873 ( -4.422 4.868 -3.837) 7.614 5.731 ( -0.327 0.314 -0.293) 0.539 6.279 ( 11.365 -9.412 4.385) 15.394 6.844 ( -18.406 4.199 -10.172) 21.445 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.878 2.833 -0.449) 3.428 2.557 ( 5.110 10.232 0.011) 11.437 2.969 ( 1.459 0.624 0.456) 1.651 4.121 ( 1.814 4.545 0.019) 4.893 4.180 ( 2.190 1.244 1.452) 2.907 4.399 ( -0.214 -0.098 -0.442) 0.501 4.589 ( 1.580 -3.240 -1.833) 4.044 4.859 ( -0.019 3.222 -0.084) 3.223 4.902 ( 1.875 4.243 -0.296) 4.648 5.738 ( 0.682 0.989 -0.153) 1.211 6.384 ( 2.785 -1.316 1.850) 3.593 6.596 ( -7.335 -1.877 -1.856) 7.795 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.975 2.204 -0.553) 2.473 2.709 ( 1.406 9.292 1.414) 9.504 2.942 ( -3.234 -2.355 -1.437) 4.251 4.105 ( -5.733 1.813 1.711) 6.251 4.227 ( 2.209 -0.974 -1.590) 2.891 4.422 ( 0.939 3.005 -0.241) 3.158 4.604 ( 0.330 5.394 -4.706) 7.166 4.915 ( 3.288 0.332 1.982) 3.853 4.970 ( 3.029 0.575 0.163) 3.088 5.766 ( 0.742 1.988 -0.851) 2.286 6.292 ( -12.524 6.654 0.920) 14.212 6.609 ( 12.041 -12.206 3.024) 17.410 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.000 2.910 -2.743) 3.999 1.854 ( -0.000 10.585 -0.362) 10.591 2.677 ( -0.000 8.388 -0.021) 8.388 3.754 ( -0.000 5.275 3.130) 6.134 4.016 ( -0.000 2.493 -0.440) 2.531 4.354 ( 0.000 -7.171 9.172) 11.642 4.514 ( 0.000 -0.016 1.413) 1.413 4.849 ( -0.000 8.024 5.648) 9.812 4.980 ( -0.000 4.960 -5.236) 7.212 5.684 ( -0.000 2.374 -1.766) 2.958 6.102 ( 0.000 -18.669 -2.575) 18.846 7.484 ( -0.000 -0.722 -17.502) 17.517 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.759 2.804 -1.689) 3.360 2.014 ( 7.682 8.951 -0.848) 11.826 2.758 ( 1.942 4.352 2.260) 5.274 3.838 ( 2.670 4.854 2.278) 5.990 4.049 ( 1.468 2.235 0.645) 2.750 4.334 ( 3.232 -8.683 7.099) 11.673 4.516 ( -0.169 -0.701 3.190) 3.270 4.903 ( -1.932 6.020 -1.641) 6.532 5.014 ( -2.632 6.958 -0.794) 7.481 5.719 ( 1.678 2.104 -1.694) 3.180 5.969 ( 4.523 -13.297 -2.016) 14.189 7.351 ( -8.883 1.875 -16.353) 18.705 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 1.690 2.799 -0.110) 3.272 2.256 ( 11.202 7.754 -1.757) 13.737 2.847 ( 4.018 1.415 3.951) 5.810 3.942 ( 4.274 3.057 1.373) 5.431 4.116 ( 3.046 2.694 1.613) 4.375 4.341 ( 4.440 -6.821 3.187) 8.740 4.518 ( 0.175 -1.945 4.985) 5.353 4.919 ( -2.039 6.753 -2.986) 7.660 4.997 ( -5.372 4.971 -1.971) 7.580 5.736 ( -0.234 0.227 -1.025) 1.075 6.005 ( 11.210 -7.319 0.042) 13.388 7.128 ( -14.550 4.238 -13.058) 20.005 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.983 2.550 0.665) 3.298 2.504 ( 10.328 6.837 -2.180) 12.577 2.930 ( 3.414 -1.137 3.508) 5.026 4.043 ( 5.377 -0.265 0.573) 5.414 4.198 ( 2.613 2.180 0.851) 3.507 4.374 ( 3.039 -1.030 0.938) 3.343 4.526 ( 1.724 -2.398 6.139) 6.812 4.939 ( -3.908 4.010 -2.685) 6.210 4.948 ( -2.160 6.136 -1.898) 6.776 5.737 ( 0.450 0.567 0.258) 0.768 6.149 ( 12.676 -6.179 0.203) 14.104 6.869 ( -16.995 5.082 -8.309) 19.588 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.000 2.609 -0.386) 2.638 2.018 ( -0.000 6.666 -0.637) 6.696 2.776 ( 0.000 0.774 4.141) 4.213 3.870 ( -0.000 4.359 2.104) 4.840 4.051 ( -0.000 1.278 -0.035) 1.279 4.248 ( 0.000 -8.758 8.112) 11.938 4.521 ( 0.000 -1.132 3.930) 4.090 4.966 ( -0.000 6.368 -4.480) 7.786 5.109 ( -0.000 5.776 1.556) 5.982 5.711 ( -0.000 2.217 -3.378) 4.040 5.817 ( 0.000 -8.317 -2.721) 8.750 7.391 ( -0.000 3.217 -16.180) 16.496 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.952 2.649 1.236) 3.074 2.141 ( 8.001 4.900 -1.095) 9.446 2.811 ( 2.363 -0.966 5.849) 6.382 3.927 ( 1.767 2.648 1.628) 3.576 4.081 ( 2.406 0.264 -0.270) 2.435 4.225 ( 3.341 -6.372 6.882) 9.956 4.523 ( -0.164 -1.175 4.557) 4.709 5.004 ( -1.342 6.963 -3.824) 8.057 5.116 ( -3.997 2.901 -1.000) 5.039 5.735 ( 0.248 0.480 -1.534) 1.627 5.795 ( 6.480 -2.990 -3.034) 7.754 7.312 ( -7.571 5.125 -14.199) 16.888 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.522 2.429 1.899) 3.439 2.350 ( 12.035 3.485 -2.371) 12.752 2.870 ( 3.386 -2.068 6.055) 7.239 3.985 ( 2.168 0.210 2.179) 3.081 4.121 ( 4.670 -2.817 -1.742) 5.726 4.299 ( 6.253 -0.255 5.716) 8.475 4.525 ( -0.302 -0.966 5.135) 5.233 5.023 ( -2.787 4.370 -2.161) 5.615 5.057 ( -4.286 3.879 -2.670) 6.368 5.733 ( 0.457 -0.215 0.164) 0.531 5.911 ( 9.776 -1.698 -3.059) 10.383 7.147 ( -13.206 6.274 -10.867) 18.217 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 2.865 2.592) 3.864 2.104 ( -0.000 2.624 -0.350) 2.647 2.801 ( 0.000 -1.258 7.437) 7.543 3.933 ( -0.000 0.798 0.509) 0.946 4.065 ( -0.000 0.162 0.357) 0.392 4.157 ( 0.000 -5.811 6.778) 8.928 4.530 ( 0.000 -0.884 4.455) 4.542 5.070 ( -0.000 6.558 -2.716) 7.098 5.157 ( -0.000 -0.260 -2.636) 2.649 5.723 ( -0.000 1.829 -4.284) 4.658 5.729 ( 0.000 -0.410 -1.031) 1.109 7.383 ( -0.000 6.737 -13.783) 15.341 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.496 2.709 2.922) 4.015 2.188 ( 7.961 0.662 -0.996) 8.050 2.835 ( 1.641 -0.904 7.807) 8.028 3.961 ( 3.141 -0.285 1.318) 3.418 4.037 ( -1.179 -3.732 0.221) 3.920 4.202 ( 6.486 -1.286 5.276) 8.459 4.538 ( -0.090 -0.605 4.354) 4.397 5.084 ( -2.312 -0.792 -2.537) 3.523 5.134 ( -1.597 4.313 -2.362) 5.170 5.718 ( 0.157 -0.326 -1.918) 1.952 5.785 ( 5.008 3.083 -2.819) 6.521 7.348 ( -7.187 7.853 -12.165) 16.165 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.000 2.653 3.046) 4.040 2.112 ( 0.000 -1.768 -0.249) 1.786 2.851 ( 0.000 0.572 8.315) 8.334 3.906 ( 0.000 -3.572 0.466) 3.602 4.065 ( 0.000 -0.298 -0.026) 0.299 4.117 ( 0.000 -2.926 6.234) 6.887 4.548 ( 0.000 -0.425 3.853) 3.876 5.054 ( 0.000 -5.804 -4.117) 7.116 5.187 ( -0.000 4.203 -0.330) 4.216 5.723 ( -0.000 1.281 -4.214) 4.404 5.767 ( -0.000 5.299 -0.978) 5.389 7.448 ( -0.000 8.944 -12.488) 15.360 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 0.000 -0.000 13.100) 13.100 0.728 ( 0.000 -0.000 13.100) 13.100 1.298 ( 0.000 -0.000 25.342) 25.342 3.536 ( 0.000 0.000 -0.720) 0.720 3.536 ( -0.000 0.000 -0.720) 0.720 3.906 ( -0.000 0.000 -3.305) 3.305 3.906 ( -0.000 0.000 -3.305) 3.305 4.842 ( -0.000 0.000 -9.632) 9.632 5.681 ( 0.000 -0.000 2.599) 2.599 5.681 ( 0.000 -0.000 2.599) 2.599 6.122 ( 0.000 -0.000 2.667) 2.667 9.544 ( 0.000 -0.000 1.056) 1.056 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.777 3.913 10.223) 12.875 0.896 ( 9.623 5.556 13.529) 17.508 1.424 ( 4.593 2.652 16.349) 17.188 3.564 ( 1.805 1.042 -1.059) 2.338 3.638 ( 8.873 5.123 -1.395) 10.340 3.898 ( 0.263 0.152 -2.767) 2.784 4.011 ( 10.420 6.016 -3.240) 12.460 4.793 ( -1.220 -0.704 -8.251) 8.370 5.428 ( -12.679 -7.320 6.521) 16.027 5.737 ( 1.541 0.889 1.541) 2.353 6.417 ( 15.817 9.132 -4.656) 18.848 9.197 ( -28.311 -16.345 6.981) 33.427 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 10.087 5.824 6.464) 13.321 1.137 ( 6.039 3.486 14.840) 16.396 1.656 ( 14.067 8.121 1.870) 16.350 3.611 ( 2.728 1.575 -1.115) 3.341 3.879 ( 12.190 7.038 1.107) 14.120 3.900 ( 0.792 0.458 -2.312) 2.487 4.302 ( 15.023 8.673 -4.068) 17.817 4.747 ( -0.279 -0.161 -4.821) 4.832 5.211 ( -9.166 -5.292 4.597) 11.539 5.754 ( -0.278 -0.161 -0.160) 0.359 6.662 ( 7.653 4.419 -6.969) 11.254 8.474 ( -36.986 -21.354 9.176) 43.682 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 4.383 2.531 8.086) 9.539 1.342 ( 11.387 6.574 3.445) 13.593 2.037 ( 18.726 10.811 -1.812) 21.698 3.678 ( 3.550 2.050 -1.007) 4.221 3.919 ( 1.559 0.900 -1.829) 2.567 4.165 ( 12.062 6.964 3.581) 14.381 4.552 ( 6.649 3.839 -5.983) 9.734 4.808 ( 8.299 4.791 -0.983) 9.633 5.027 ( -8.504 -4.910 1.564) 9.943 5.727 ( -1.782 -1.029 -1.342) 2.457 6.723 ( 0.216 0.125 -6.371) 6.376 7.667 ( -36.544 -21.099 7.503) 42.859 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 5.483 3.166 1.633) 6.539 1.604 ( 10.955 6.325 1.607) 12.751 2.436 ( 16.804 9.702 -1.826) 19.490 3.759 ( 3.920 2.263 -1.093) 4.657 3.957 ( 2.282 1.317 -1.096) 2.854 4.416 ( 8.688 5.016 3.535) 10.637 4.618 ( 2.727 1.575 -2.378) 3.947 4.839 ( -8.365 -4.830 -0.688) 9.683 5.031 ( 10.001 5.774 -4.752) 12.488 5.676 ( -2.085 -1.204 -1.071) 2.635 6.579 ( -15.063 -8.696 -8.203) 19.230 7.020 ( -18.215 -10.516 11.615) 24.026 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 5.327 3.076 -1.680) 6.377 1.833 ( 9.038 5.218 0.795) 10.466 2.745 ( 11.001 6.352 -3.008) 13.055 3.840 ( 3.573 2.063 -1.306) 4.328 4.009 ( 2.385 1.377 -0.352) 2.777 4.536 ( -0.158 -0.091 -1.543) 1.553 4.668 ( -3.579 -2.066 -5.290) 6.713 4.706 ( 4.127 2.383 6.194) 7.815 5.175 ( 4.606 2.660 -8.756) 10.245 5.638 ( -1.061 -0.613 0.745) 1.434 6.081 ( -20.678 -11.939 -2.806) 24.042 6.926 ( 0.525 0.303 13.369) 13.382 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 3.955 2.284 -2.912) 5.417 2.005 ( 5.995 3.461 0.476) 6.938 2.891 ( 3.573 2.063 -6.147) 7.404 3.905 ( 2.535 1.464 -1.037) 3.106 4.053 ( 1.426 0.823 -0.130) 1.652 4.402 ( -7.311 -4.221 -6.034) 10.377 4.627 ( -0.931 -0.537 -4.234) 4.369 4.860 ( 7.284 4.205 4.289) 9.441 5.178 ( -1.364 -0.787 -4.931) 5.177 5.639 ( 0.502 0.290 3.096) 3.150 5.772 ( -6.793 -3.922 1.510) 7.988 7.044 ( 4.916 2.838 14.979) 16.019 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 2.804 1.619 -3.219) 4.566 2.101 ( 2.374 1.371 0.298) 2.757 2.888 ( -0.482 -0.278 -8.930) 8.948 3.938 ( 0.366 0.212 -0.490) 0.647 4.068 ( 0.119 0.069 -0.187) 0.233 4.231 ( -5.445 -3.144 -7.153) 9.524 4.581 ( -1.230 -0.710 -5.011) 5.209 5.042 ( 7.308 4.219 2.508) 8.804 5.127 ( -2.396 -1.383 2.731) 3.887 5.676 ( 1.454 0.840 4.518) 4.820 5.717 ( -0.002 -0.001 1.239) 1.239 7.232 ( 7.029 4.058 14.708) 16.799 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.000 6.220 10.007) 11.782 0.974 ( -0.000 13.149 11.947) 17.766 1.494 ( -0.000 4.849 14.997) 15.761 3.522 ( -0.000 -0.003 -0.220) 0.220 3.667 ( -0.000 11.698 -2.014) 11.870 3.888 ( -0.000 0.405 -3.051) 3.077 3.967 ( -0.000 7.239 -1.612) 7.416 4.761 ( -0.000 -1.543 -8.136) 8.281 5.490 ( 0.000 -14.953 5.746) 16.020 5.646 ( 0.000 -2.535 2.877) 3.834 6.461 ( -0.000 22.077 -4.402) 22.512 9.237 ( 0.000 -28.713 4.977) 29.141 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 6.872 8.543 7.359) 13.205 1.176 ( 3.097 10.010 14.048) 17.526 1.615 ( 3.550 10.416 3.164) 11.450 3.563 ( 3.713 0.674 -0.425) 3.798 3.803 ( 3.565 8.680 -0.236) 9.387 3.914 ( 1.993 5.019 -2.294) 5.868 4.139 ( 11.180 8.517 -1.795) 14.169 4.719 ( 0.085 -1.560 -5.959) 6.161 5.299 ( -7.086 -9.609 4.659) 12.816 5.687 ( 4.300 -3.872 1.679) 6.024 6.656 ( 2.205 14.220 -5.710) 15.482 8.758 ( -21.859 -31.127 6.010) 38.507 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 6.917 8.886 6.148) 12.830 1.321 ( 1.944 6.184 9.223) 11.273 1.884 ( 12.740 15.401 -2.822) 20.186 3.638 ( 3.650 2.317 -1.059) 4.451 3.888 ( 2.309 0.968 -0.793) 2.626 4.089 ( 7.913 10.933 1.973) 13.639 4.421 ( 12.084 6.566 -4.470) 14.461 4.716 ( 3.817 -0.209 -2.512) 4.575 5.111 ( -7.308 -7.247 2.072) 10.498 5.705 ( 1.432 -2.889 0.392) 3.248 6.746 ( -0.882 6.108 -4.630) 7.715 8.030 ( -30.931 -28.220 4.768) 42.140 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.236 3.821 4.420) 6.256 1.548 ( 7.772 12.173 2.116) 14.596 2.264 ( 15.524 13.517 -1.996) 20.681 3.722 ( 3.488 3.471 -1.541) 5.156 3.933 ( 2.097 1.727 -0.613) 2.785 4.337 ( 8.761 7.376 3.317) 11.923 4.569 ( 3.931 2.287 -4.329) 6.279 4.858 ( 11.349 1.454 -3.676) 12.018 4.924 ( -7.706 -6.004 -0.004) 9.768 5.690 ( -0.849 -0.986 0.313) 1.338 6.720 ( -6.372 2.415 -4.156) 7.982 7.279 ( -27.685 -23.302 6.245) 36.721 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 3.738 3.987 0.307) 5.474 1.792 ( 6.506 11.747 1.227) 13.484 2.613 ( 12.544 9.630 -1.999) 15.940 3.808 ( 3.140 3.956 -1.964) 5.419 3.989 ( 2.222 2.460 0.008) 3.315 4.509 ( 3.977 2.325 0.726) 4.664 4.640 ( 3.359 2.901 -4.117) 6.054 4.749 ( -5.842 -4.369 2.842) 7.829 5.016 ( 9.274 -1.795 -8.062) 12.419 5.671 ( -1.482 1.116 1.204) 2.212 6.394 ( -26.513 -4.842 -6.381) 27.697 6.930 ( 0.115 -8.875 14.141) 16.696 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 3.588 3.312 -1.615) 5.143 1.993 ( 4.029 10.423 1.033) 11.223 2.831 ( 5.701 5.117 -4.089) 8.684 3.886 ( 2.340 3.883 -1.881) 4.908 4.047 ( 1.376 2.726 0.296) 3.068 4.467 ( -6.420 -3.342 -4.800) 8.685 4.625 ( -1.223 0.481 -5.763) 5.911 4.798 ( 6.023 2.608 5.845) 8.789 5.084 ( 5.889 -4.447 -5.818) 9.398 5.678 ( -0.538 2.710 2.199) 3.531 5.955 ( -18.084 -0.816 -1.086) 18.135 6.998 ( 6.661 -3.630 15.465) 17.225 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 2.552 2.388 -2.497) 4.296 2.130 ( 0.596 8.828 1.019) 8.907 2.879 ( -0.767 1.800 -7.013) 7.281 3.943 ( 0.939 3.138 -1.428) 3.573 4.077 ( -0.900 1.499 0.390) 1.792 4.299 ( -7.029 -0.806 -6.962) 9.926 4.578 ( -1.474 -0.747 -5.605) 5.844 4.963 ( 7.612 3.299 3.772) 9.113 5.106 ( 2.860 -3.819 0.688) 4.820 5.717 ( 0.739 2.551 2.098) 3.385 5.766 ( -7.277 3.049 2.349) 8.232 7.158 ( 9.035 -2.316 14.870) 17.553 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 10.942 6.143) 12.549 1.301 ( -0.000 8.655 13.726) 16.227 1.714 ( -0.000 14.788 -2.119) 14.939 3.535 ( -0.000 1.234 0.764) 1.452 3.885 ( -0.000 1.315 -2.194) 2.558 3.923 ( -0.000 15.017 -0.484) 15.025 4.134 ( -0.000 9.347 1.673) 9.496 4.682 ( 0.000 -1.725 -4.657) 4.966 5.270 ( 0.000 -11.271 3.394) 11.770 5.628 ( 0.000 -1.362 2.879) 3.185 6.754 ( -0.000 11.080 -5.937) 12.571 8.627 ( 0.000 -35.182 2.306) 35.257 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 6.262 12.143 4.434) 14.364 1.398 ( -0.556 3.774 9.658) 10.384 1.902 ( 4.343 19.796 -4.997) 20.874 3.590 ( 3.817 2.076 0.612) 4.388 3.885 ( -0.175 2.630 -0.658) 2.717 4.112 ( 4.043 12.824 0.733) 13.466 4.303 ( 8.093 8.380 1.060) 11.698 4.662 ( 1.119 -1.085 -1.862) 2.428 5.138 ( -4.316 -8.766 1.152) 9.838 5.652 ( 2.364 -1.284 2.333) 3.561 6.800 ( -0.875 3.457 -4.593) 5.815 8.149 ( -16.658 -31.868 -1.147) 35.977 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.221 3.614 4.145) 5.504 1.556 ( 7.934 13.320 2.325) 15.677 2.193 ( 9.443 17.952 -2.910) 20.492 3.688 ( 4.267 3.424 -0.549) 5.498 3.922 ( 1.372 2.657 0.192) 2.996 4.306 ( 5.528 9.392 2.587) 11.201 4.498 ( 6.221 4.222 -2.895) 8.057 4.711 ( 5.809 0.497 0.804) 5.885 4.976 ( -5.927 -6.514 -1.235) 8.893 5.684 ( 1.323 -0.282 2.085) 2.485 6.775 ( -0.761 -2.173 -1.129) 2.565 7.503 ( -25.042 -24.654 -3.674) 35.333 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 1.689 4.080 0.849) 4.496 1.822 ( 6.610 14.341 1.388) 15.852 2.516 ( 10.914 13.281 -1.376) 17.245 3.790 ( 3.577 4.716 -1.637) 6.141 3.981 ( 2.074 3.101 0.831) 3.822 4.472 ( 4.139 4.216 1.349) 6.060 4.595 ( 4.307 2.628 -1.393) 5.234 4.798 ( -2.098 -3.837 -1.201) 4.535 4.844 ( 3.299 -1.498 -3.350) 4.935 5.703 ( -0.260 0.918 1.886) 2.113 6.733 ( -8.499 1.790 -4.309) 9.696 6.880 ( -15.333 -21.063 4.594) 26.455 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 2.660 3.910 -0.539) 4.759 2.056 ( 4.130 14.051 1.333) 14.706 2.774 ( 7.289 8.365 -1.996) 11.274 3.885 ( 2.537 5.533 -2.011) 6.410 4.054 ( 2.084 3.740 0.989) 4.394 4.498 ( -2.009 -2.759 -1.491) 3.724 4.649 ( -2.446 2.796 -8.278) 9.073 4.753 ( 3.456 0.935 6.064) 7.042 4.907 ( 6.907 -4.141 -3.399) 8.741 5.711 ( -0.469 1.113 1.631) 2.030 6.308 ( -23.711 0.559 -6.021) 24.470 6.853 ( 9.014 -9.332 13.238) 18.536 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 2.180 3.188 -1.275) 4.067 2.237 ( 0.912 13.154 1.834) 13.312 2.891 ( 0.698 4.235 -4.302) 6.077 3.960 ( 0.768 4.884 -1.832) 5.273 4.119 ( 0.255 4.058 0.788) 4.141 4.384 ( -6.068 -1.156 -4.633) 7.721 4.582 ( -2.701 -0.415 -6.916) 7.436 4.883 ( 6.686 2.625 3.696) 8.077 4.982 ( 6.848 -3.886 0.902) 7.925 5.725 ( 0.409 0.690 1.136) 1.390 6.009 ( -14.652 6.257 -0.762) 15.951 6.988 ( 10.996 -7.981 13.302) 19.014 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.000 13.160 2.819) 13.459 1.458 ( -0.000 1.829 5.396) 5.698 2.054 ( -0.000 21.568 -5.325) 22.215 3.583 ( -0.000 2.755 2.115) 3.473 3.910 ( -0.000 2.460 -1.238) 2.754 4.211 ( -0.000 13.304 1.251) 13.363 4.335 ( -0.000 8.665 5.305) 10.159 4.643 ( 0.000 -0.382 0.625) 0.732 5.092 ( 0.000 -8.247 -0.459) 8.260 5.632 ( 0.000 -0.090 2.088) 2.090 6.788 ( 0.000 -4.641 -3.642) 5.900 7.974 ( 0.000 -28.385 -7.375) 29.327 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -0.561 2.432 0.976) 2.680 1.558 ( 6.843 13.011 1.555) 14.783 2.267 ( 3.130 19.673 -3.194) 20.175 3.653 ( 3.428 3.564 1.869) 5.287 3.936 ( 0.521 3.065 -0.337) 3.127 4.345 ( 2.046 9.070 2.525) 9.635 4.462 ( 3.098 5.792 2.345) 6.974 4.672 ( 1.856 2.143 4.707) 5.495 4.985 ( -3.296 -6.122 -2.833) 7.508 5.660 ( 2.061 0.398 1.740) 2.727 6.695 ( 0.784 -13.147 -0.455) 13.178 7.589 ( -13.262 -18.701 -12.246) 25.992 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 0.724 3.374 -0.625) 3.507 1.830 ( 9.011 13.370 0.712) 16.139 2.509 ( 6.035 15.380 -0.951) 16.548 3.764 ( 4.319 4.493 0.507) 6.253 3.986 ( 1.530 3.458 0.690) 3.844 4.470 ( 2.462 5.339 1.781) 6.143 4.540 ( 3.487 0.212 1.844) 3.950 4.757 ( 1.959 2.759 3.741) 5.045 4.860 ( -4.373 -2.555 -4.770) 6.958 5.706 ( 1.552 0.829 1.424) 2.263 6.594 ( 5.334 -18.249 5.432) 19.773 7.125 ( -20.910 -6.257 -14.463) 26.183 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.999 3.834 -0.509) 4.353 2.102 ( 7.367 13.419 0.361) 15.313 2.744 ( 6.546 10.397 -0.133) 12.287 3.884 ( 3.966 5.839 -0.541) 7.079 4.056 ( 2.197 3.736 1.102) 4.472 4.492 ( -1.034 -2.308 0.061) 2.530 4.644 ( 5.099 1.536 0.870) 5.396 4.776 ( -3.420 2.370 -0.787) 4.235 4.794 ( 1.500 -1.024 -1.559) 2.393 5.726 ( -0.101 0.291 0.571) 0.649 6.551 ( 2.559 -16.382 6.474) 17.800 6.734 ( -13.703 2.903 -8.279) 16.271 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 2.060 3.538 -0.348) 4.109 2.332 ( 4.373 13.039 0.999) 13.789 2.902 ( 2.694 5.798 -1.446) 6.555 3.997 ( 1.746 6.984 -0.668) 7.230 4.134 ( 2.383 3.628 -0.014) 4.341 4.428 ( -2.581 -2.731 -0.613) 3.808 4.627 ( -5.161 -0.398 -5.886) 7.838 4.826 ( 4.466 2.962 2.641) 5.974 4.843 ( 5.760 -1.220 1.299) 6.029 5.727 ( 0.113 0.153 0.413) 0.455 6.327 ( -15.711 4.546 -4.334) 16.920 6.742 ( 10.877 -10.180 8.828) 17.317 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 2.098 -1.866) 2.808 1.624 ( -0.000 12.784 0.459) 12.792 2.418 ( -0.000 17.651 -1.897) 17.753 3.671 ( -0.000 4.339 3.287) 5.444 3.958 ( -0.000 3.037 -0.704) 3.117 4.412 ( -0.000 5.334 4.833) 7.197 4.497 ( -0.000 2.742 2.034) 3.415 4.726 ( -0.000 6.786 9.546) 11.712 4.948 ( 0.000 -4.302 -4.876) 6.503 5.649 ( -0.000 0.820 0.413) 0.918 6.513 ( 0.000 -21.087 -0.566) 21.095 7.504 ( 0.000 -10.485 -17.183) 20.129 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.545 3.032 -2.148) 3.756 1.808 ( 7.171 11.860 -0.224) 13.861 2.586 ( 2.161 13.762 0.111) 13.931 3.752 ( 2.739 4.754 2.778) 6.150 3.996 ( 1.206 3.162 -0.215) 3.391 4.483 ( 2.532 0.097 7.715) 8.120 4.510 ( -0.234 0.141 0.576) 0.637 4.822 ( -1.528 4.994 7.475) 9.118 4.887 ( -2.008 1.848 -5.799) 6.408 5.682 ( 2.385 1.124 -0.071) 2.638 6.323 ( 3.729 -22.341 0.955) 22.670 7.286 ( -10.226 -2.882 -18.183) 21.059 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.631 3.661 -0.755) 4.078 2.068 ( 10.083 10.999 -0.896) 14.948 2.755 ( 4.113 9.386 1.656) 10.381 3.866 ( 4.187 4.944 1.614) 6.677 4.058 ( 2.259 3.525 0.306) 4.198 4.480 ( -0.138 -4.948 1.937) 5.316 4.570 ( 3.802 -0.549 6.541) 7.586 4.808 ( -1.913 2.765 -3.411) 4.790 4.884 ( -4.638 5.775 0.220) 7.410 5.723 ( 0.972 0.534 -0.713) 1.319 6.252 ( 10.278 -17.689 4.350) 20.916 7.005 ( -15.440 2.802 -15.355) 21.955 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 3.396 -1.820) 3.853 1.849 ( -0.000 10.329 -0.610) 10.347 2.688 ( -0.000 9.930 1.874) 10.106 3.787 ( -0.000 4.925 3.218) 5.883 4.011 ( -0.000 2.671 -0.392) 2.700 4.448 ( 0.000 -7.353 8.262) 11.061 4.536 ( -0.000 1.882 3.115) 3.640 4.864 ( -0.000 1.448 -4.731) 4.947 4.976 ( -0.000 8.963 6.411) 11.020 5.665 ( -0.000 1.286 -1.716) 2.145 6.079 ( 0.000 -19.860 -1.753) 19.937 7.290 ( -0.000 0.097 -19.114) 19.114 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.999 3.727 -0.090) 3.860 2.004 ( 7.388 8.749 -1.016) 11.496 2.789 ( 1.916 5.899 3.644) 7.193 3.863 ( 2.258 4.410 2.422) 5.515 4.051 ( 1.923 2.477 -0.206) 3.143 4.408 ( 1.484 -8.692 6.593) 11.010 4.562 ( 0.367 -0.253 5.514) 5.532 4.861 ( -1.435 5.100 -5.632) 7.732 5.032 ( -4.516 5.993 3.764) 8.395 5.699 ( 2.346 1.460 -1.995) 3.408 5.954 ( 6.219 -14.339 -0.713) 15.646 7.172 ( -7.793 3.230 -17.342) 19.285 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -0.000 3.762 1.455) 4.034 2.011 ( -0.000 6.777 -0.607) 6.804 2.828 ( -0.000 2.299 5.711) 6.156 3.890 ( -0.000 3.549 1.718) 3.943 4.051 ( -0.000 1.514 0.072) 1.516 4.330 ( 0.000 -9.078 7.496) 11.773 4.572 ( 0.000 -1.209 5.523) 5.654 4.913 ( -0.000 7.149 -5.441) 8.984 5.135 ( -0.000 2.753 3.264) 4.270 5.674 ( -0.000 1.513 -3.562) 3.870 5.792 ( 0.000 -7.838 -2.201) 8.142 7.214 ( -0.000 4.868 -17.083) 17.763 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 -0.000 9.787) 9.787 0.848 ( 0.000 -0.000 9.787) 9.787 1.537 ( 0.000 -0.000 19.988) 19.988 3.528 ( 0.000 0.000 -0.928) 0.928 3.528 ( 0.000 0.000 -0.928) 0.928 3.875 ( -0.000 0.000 -2.551) 2.551 3.875 ( -0.000 0.000 -2.551) 2.551 4.744 ( -0.000 0.000 -8.724) 8.724 5.707 ( 0.000 -0.000 2.201) 2.201 5.707 ( -0.000 -0.000 2.201) 2.201 6.147 ( 0.000 -0.000 2.103) 2.103 9.554 ( 0.000 -0.000 0.919) 0.919 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 5.656 3.266 7.244) 9.754 1.022 ( 11.399 6.581 10.258) 16.687 1.576 ( -1.279 -0.738 12.532) 12.618 3.550 ( 1.716 0.990 -1.440) 2.449 3.631 ( 9.257 5.344 -0.162) 10.690 3.873 ( 0.385 0.222 -2.037) 2.085 3.981 ( 10.119 5.842 -2.502) 11.949 4.710 ( -0.310 -0.179 -7.346) 7.355 5.486 ( -12.194 -7.040 4.645) 14.827 5.747 ( 0.865 0.499 0.375) 1.067 6.386 ( 13.468 7.776 -1.575) 15.631 9.253 ( -25.511 -14.729 3.898) 29.714 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 8.966 5.177 4.269) 11.199 1.296 ( 5.355 3.092 15.113) 16.329 1.658 ( 10.382 5.994 -1.607) 12.095 3.595 ( 2.774 1.602 -1.776) 3.663 3.880 ( 0.900 0.519 -1.563) 1.877 3.895 ( 13.265 7.659 1.855) 15.429 4.259 ( 14.005 8.086 -4.095) 16.682 4.694 ( 1.339 0.773 -5.055) 5.286 5.254 ( -10.106 -5.835 3.566) 12.203 5.745 ( -0.800 -0.462 -1.468) 1.735 6.616 ( 7.125 4.114 -2.017) 8.471 8.552 ( -36.581 -21.120 5.958) 42.659 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 10.640 6.143 2.086) 12.462 1.374 ( 0.669 0.386 8.758) 8.792 2.015 ( 19.091 11.022 -2.135) 22.147 3.661 ( 3.635 2.098 -2.158) 4.719 3.905 ( 1.737 1.003 -0.927) 2.209 4.200 ( 12.535 7.237 2.947) 14.771 4.490 ( 7.055 4.073 -5.722) 9.955 4.774 ( 7.853 4.534 -4.997) 10.354 5.048 ( -9.314 -5.378 2.163) 10.971 5.708 ( -1.743 -1.006 -2.131) 2.931 6.688 ( -0.427 -0.246 -0.514) 0.712 7.743 ( -35.803 -20.671 7.114) 41.949 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 3.116 1.799 3.162) 4.790 1.618 ( 10.615 6.128 1.046) 12.301 2.419 ( 16.603 9.586 -1.418) 19.224 3.739 ( 4.014 2.317 -2.637) 5.332 3.951 ( 2.493 1.439 -0.173) 2.883 4.444 ( 7.811 4.510 1.729) 9.183 4.577 ( 3.437 1.984 -4.918) 6.320 4.851 ( -7.289 -4.208 2.581) 8.803 4.954 ( 7.839 4.526 -9.263) 12.952 5.665 ( -1.366 -0.789 -1.019) 1.878 6.524 ( -16.412 -9.476 -2.803) 19.157 7.158 ( -15.443 -8.916 14.679) 23.097 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 4.030 2.327 0.198) 4.658 1.842 ( 8.899 5.138 0.765) 10.304 2.713 ( 9.867 5.697 -2.878) 11.752 3.818 ( 3.891 2.246 -2.625) 5.203 4.008 ( 2.419 1.397 0.161) 2.798 4.512 ( -4.017 -2.319 -3.618) 5.883 4.590 ( 1.082 0.624 -7.231) 7.338 4.791 ( 1.546 0.893 8.116) 8.310 5.071 ( 5.524 3.189 -10.379) 12.182 5.649 ( 0.007 0.004 1.359) 1.359 6.068 ( -18.577 -10.726 0.094) 21.452 7.093 ( 0.412 0.238 17.979) 17.985 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.000 5.374 7.109) 8.911 1.078 ( -0.000 14.934 7.937) 16.912 1.629 ( 0.000 -1.734 10.516) 10.657 3.520 ( -0.000 0.450 -0.124) 0.467 3.651 ( -0.000 11.644 -1.133) 11.699 3.862 ( -0.000 0.393 -1.918) 1.958 3.954 ( -0.000 8.390 -0.959) 8.445 4.683 ( -0.000 -0.583 -6.539) 6.565 5.535 ( 0.000 -14.123 2.956) 14.429 5.677 ( 0.000 -2.332 2.992) 3.793 6.424 ( -0.000 19.049 -2.742) 19.245 9.276 ( 0.000 -27.077 2.534) 27.195 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 5.953 8.006 4.679) 11.019 1.312 ( 5.220 12.271 11.564) 17.650 1.630 ( 0.167 3.278 -0.228) 3.291 3.558 ( 2.866 1.303 -0.490) 3.186 3.804 ( 4.274 8.431 0.255) 9.456 3.896 ( 2.888 5.753 -1.124) 6.535 4.123 ( 9.331 9.600 -1.115) 13.434 4.662 ( 0.607 -0.224 -4.643) 4.688 5.338 ( -7.213 -10.434 2.833) 12.997 5.702 ( 2.707 -2.958 1.223) 4.192 6.610 ( 2.902 12.728 -3.229) 13.448 8.804 ( -20.693 -31.978 3.103) 38.216 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 7.353 10.500 2.453) 13.052 1.426 ( -1.641 0.589 9.596) 9.753 1.848 ( 13.962 15.562 -3.555) 21.207 3.624 ( 2.998 2.765 -1.437) 4.324 3.881 ( 1.996 1.348 -0.452) 2.451 4.110 ( 9.121 11.233 1.886) 14.592 4.376 ( 9.899 6.870 -3.953) 12.681 4.685 ( 3.946 1.466 -3.070) 5.210 5.130 ( -7.582 -8.500 1.594) 11.502 5.706 ( 0.219 -1.417 -0.361) 1.478 6.717 ( 0.203 5.321 -0.983) 5.415 8.073 ( -29.383 -30.465 3.532) 42.473 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.611 1.579 4.239) 4.565 1.564 ( 7.379 12.119 0.956) 14.221 2.247 ( 15.923 13.529 -1.084) 20.923 3.700 ( 3.087 3.726 -2.343) 5.376 3.930 ( 2.091 2.159 0.082) 3.007 4.364 ( 8.540 7.180 1.642) 11.278 4.523 ( 4.407 3.305 -4.205) 6.930 4.802 ( 8.077 2.538 -6.512) 10.681 4.934 ( -6.959 -7.332 1.774) 10.263 5.689 ( -1.312 0.652 -0.585) 1.578 6.693 ( -8.388 0.333 -1.099) 8.467 7.358 ( -21.997 -23.922 8.916) 33.699 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.633 2.797 1.636) 4.175 1.803 ( 6.412 11.917 0.780) 13.555 2.594 ( 11.805 9.335 -1.437) 15.118 3.782 ( 3.074 4.219 -2.834) 5.940 3.992 ( 2.149 2.751 0.453) 3.520 4.512 ( 2.686 1.394 -0.073) 3.027 4.569 ( -0.514 1.891 -8.007) 8.243 4.807 ( -1.520 -3.427 6.511) 7.513 4.924 ( 8.114 0.423 -8.987) 12.115 5.680 ( -1.164 2.198 0.481) 2.533 6.344 ( -23.683 -6.397 -3.236) 24.745 7.098 ( 1.392 -9.694 17.473) 20.031 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.000 9.915 3.961) 10.677 1.436 ( -0.000 9.345 11.752) 15.015 1.668 ( -0.000 9.358 -6.539) 11.417 3.544 ( -0.000 1.826 1.092) 2.128 3.868 ( -0.000 1.400 -1.040) 1.744 3.922 ( -0.000 15.750 0.173) 15.751 4.155 ( -0.000 11.171 2.354) 11.416 4.641 ( -0.000 -0.009 -2.782) 2.782 5.295 ( 0.000 -12.076 1.403) 12.157 5.660 ( 0.000 -1.646 3.268) 3.660 6.695 ( -0.000 10.701 -5.260) 11.924 8.638 ( 0.000 -37.689 0.041) 37.689 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 6.186 11.571 2.336) 13.327 1.483 ( -1.595 -1.159 5.725) 6.055 1.848 ( 5.579 21.013 -4.635) 22.229 3.598 ( 2.831 2.699 0.911) 4.016 3.880 ( 0.294 2.620 -0.347) 2.659 4.121 ( 4.680 13.597 0.795) 14.402 4.317 ( 5.112 9.572 1.733) 10.989 4.650 ( 1.312 1.264 -0.296) 1.846 5.145 ( -4.497 -10.162 0.248) 11.115 5.676 ( 1.756 -1.183 2.258) 3.095 6.755 ( 0.321 4.090 -3.851) 5.627 8.131 ( -15.466 -36.111 -2.115) 39.340 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -0.342 0.969 1.723) 2.007 1.572 ( 7.660 13.114 0.809) 15.209 2.171 ( 10.309 18.301 -1.213) 21.040 3.683 ( 3.101 3.943 -0.273) 5.024 3.924 ( 1.602 2.955 0.120) 3.363 4.328 ( 5.688 9.616 1.285) 11.246 4.474 ( 4.322 5.356 -1.336) 7.011 4.715 ( 3.694 2.835 0.144) 4.659 4.967 ( -5.619 -8.320 -0.436) 10.049 5.701 ( 0.790 0.331 0.900) 1.243 6.767 ( -0.049 -0.102 -0.385) 0.401 7.476 ( -21.294 -30.384 -1.404) 37.129 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.696 2.739 0.967) 3.364 1.832 ( 6.687 14.348 0.365) 15.834 2.506 ( 10.760 13.347 -0.366) 17.148 3.774 ( 2.745 5.193 -1.314) 6.019 3.988 ( 2.154 3.406 0.347) 4.045 4.479 ( 3.454 3.735 -0.047) 5.088 4.568 ( 1.927 4.086 -3.165) 5.516 4.794 ( 3.153 0.049 -2.361) 3.939 4.822 ( -2.081 -4.567 1.490) 5.235 5.714 ( -0.347 1.386 0.125) 1.434 6.662 ( -18.297 -0.754 -7.375) 19.742 6.980 ( -0.309 -21.805 12.627) 25.199 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.000 12.303 1.316) 12.373 1.488 ( 0.000 -1.759 -0.054) 1.759 2.009 ( -0.000 22.855 -2.850) 23.032 3.607 ( -0.000 3.364 2.542) 4.217 3.901 ( -0.000 2.476 -0.522) 2.530 4.223 ( -0.000 13.990 0.790) 14.012 4.387 ( -0.000 9.124 4.645) 10.238 4.664 ( -0.000 2.957 3.569) 4.635 5.084 ( 0.000 -9.883 -1.069) 9.941 5.656 ( 0.000 -0.949 2.523) 2.696 6.746 ( 0.000 -2.484 -4.313) 4.978 7.895 ( 0.000 -34.070 -7.549) 34.897 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.022 0.721 -2.062) 2.185 1.568 ( 6.870 12.523 0.330) 14.288 2.246 ( 3.570 20.444 -0.897) 20.773 3.675 ( 2.430 4.075 2.331) 5.286 3.933 ( 0.894 3.084 -0.331) 3.228 4.367 ( 2.061 10.259 1.127) 10.525 4.486 ( 1.343 5.491 2.671) 6.252 4.732 ( 0.546 5.462 6.515) 8.520 4.957 ( -3.359 -8.284 -2.509) 9.284 5.677 ( 2.087 -0.290 1.488) 2.579 6.691 ( 2.565 -10.275 -0.284) 10.594 7.465 ( -11.928 -24.881 -11.265) 29.804 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.000 1.947 -3.259) 3.796 1.625 ( -0.000 12.305 -0.313) 12.309 2.409 ( -0.000 18.641 0.198) 18.642 3.707 ( -0.000 4.554 3.348) 5.652 3.952 ( -0.000 3.034 -0.395) 3.059 4.447 ( -0.000 8.186 1.407) 8.306 4.527 ( -0.000 2.181 4.051) 4.601 4.834 ( -0.000 8.259 9.990) 12.962 4.901 ( 0.000 -6.676 -3.365) 7.476 5.655 ( 0.000 -0.434 0.784) 0.896 6.510 ( 0.000 -20.384 0.212) 20.385 7.324 ( 0.000 -13.882 -16.877) 21.852 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 -0.000 6.049) 6.049 0.931 ( 0.000 -0.000 6.049) 6.049 1.710 ( 0.000 -0.000 12.971) 12.971 3.518 ( 0.000 0.000 -0.813) 0.813 3.518 ( 0.000 0.000 -0.813) 0.813 3.854 ( -0.000 0.000 -1.538) 1.538 3.854 ( -0.000 0.000 -1.538) 1.538 4.665 ( -0.000 0.000 -6.187) 6.187 5.726 ( 0.000 -0.000 1.464) 1.464 5.726 ( 0.000 -0.000 1.464) 1.464 6.165 ( 0.000 -0.000 1.330) 1.330 9.562 ( 0.000 -0.000 0.623) 0.623 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 4.917 2.839 3.746) 6.803 1.108 ( 13.066 7.544 6.090) 16.270 1.682 ( -5.226 -3.017 7.400) 9.548 3.536 ( 1.490 0.860 -1.295) 2.153 3.632 ( 9.911 5.722 0.358) 11.450 3.855 ( 0.444 0.256 -1.243) 1.344 3.959 ( 9.612 5.550 -1.521) 11.203 4.646 ( 0.131 0.076 -4.713) 4.716 5.526 ( -11.854 -6.844 3.030) 14.019 5.745 ( 0.040 0.023 -0.818) 0.819 6.379 ( 12.640 7.297 0.099) 14.595 9.283 ( -23.912 -13.806 1.960) 27.681 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 8.340 4.815 1.571) 9.757 1.447 ( 7.184 4.148 13.447) 15.800 1.622 ( 6.523 3.766 -5.189) 9.147 3.576 ( 2.551 1.473 -1.838) 3.472 3.867 ( 1.039 0.600 -0.831) 1.459 3.913 ( 13.893 8.021 1.398) 16.103 4.218 ( 12.664 7.311 -3.630) 15.067 4.648 ( 1.706 0.985 -3.395) 3.925 5.285 ( -10.541 -6.086 2.200) 12.369 5.724 ( -1.209 -0.698 -2.509) 2.871 6.616 ( 7.454 4.304 1.637) 8.762 8.601 ( -35.662 -20.590 3.606) 41.337 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 10.390 5.998 0.409) 12.004 1.455 ( -1.820 -1.051 6.028) 6.384 1.998 ( 19.912 11.496 -0.667) 23.002 3.635 ( 3.385 1.955 -2.639) 4.716 3.899 ( 1.972 1.138 -0.162) 2.282 4.222 ( 12.568 7.256 1.137) 14.557 4.435 ( 7.420 4.284 -4.820) 9.830 4.715 ( 5.684 3.282 -5.814) 8.768 5.069 ( -9.268 -5.351 1.769) 10.846 5.683 ( -1.406 -0.812 -2.543) 3.017 6.704 ( -1.015 -0.586 3.200) 3.408 7.817 ( -33.409 -19.289 7.222) 39.247 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.000 5.071 3.686) 6.270 1.138 ( -0.000 16.089 3.345) 16.433 1.710 ( 0.000 -6.136 4.835) 7.812 3.520 ( -0.000 0.926 0.204) 0.948 3.642 ( -0.000 11.908 -0.613) 11.924 3.848 ( -0.000 0.429 -0.679) 0.803 3.947 ( -0.000 9.425 -0.255) 9.429 4.630 ( -0.000 0.001 -3.355) 3.355 5.553 ( 0.000 -13.651 0.641) 13.666 5.707 ( 0.000 -1.763 2.631) 3.167 6.401 ( -0.000 16.642 -1.826) 16.741 9.293 ( 0.000 -26.506 0.890) 26.521 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 5.066 7.964 1.606) 9.574 1.405 ( 9.316 17.273 5.269) 20.320 1.618 ( -3.410 -4.820 -1.328) 6.052 3.554 ( 1.848 1.962 -0.220) 2.704 3.806 ( 4.416 7.855 0.135) 9.012 3.889 ( 3.689 6.613 -0.266) 7.577 4.116 ( 7.411 10.658 -0.373) 12.987 4.627 ( 0.608 0.585 -1.769) 1.960 5.358 ( -6.833 -11.064 0.956) 13.039 5.711 ( 0.623 -1.627 0.447) 1.799 6.587 ( 4.699 10.970 -1.057) 11.981 8.825 ( -19.590 -32.675 0.953) 38.110 ======================= 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 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 6.955 10.791 -0.009) 12.838 1.499 ( -2.893 -2.881 3.244) 5.215 1.823 ( 15.865 16.684 -0.415) 23.026 3.610 ( 2.027 3.258 -1.287) 4.047 3.878 ( 1.993 1.598 -0.056) 2.555 4.123 ( 9.556 11.292 0.530) 14.802 4.340 ( 7.853 7.653 -2.797) 11.317 4.658 ( 2.489 2.165 -1.850) 3.782 5.143 ( -7.276 -9.088 0.741) 11.665 5.696 ( -1.005 -0.000 -1.453) 1.767 6.723 ( 2.006 3.854 2.005) 4.785 8.105 ( -26.926 -31.514 2.754) 41.542 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.000 9.481 1.284) 9.568 1.539 ( -0.000 19.071 5.880) 19.957 1.583 ( 0.000 -2.997 -7.621) 8.189 3.558 ( -0.000 2.446 1.501) 2.870 3.863 ( -0.000 1.343 0.006) 1.343 3.922 ( -0.000 16.170 -0.345) 16.174 4.183 ( -0.000 12.946 2.992) 13.287 4.628 ( -0.000 1.292 0.325) 1.332 5.299 ( 0.000 -12.311 -0.512) 12.322 5.694 ( 0.000 -1.654 3.137) 3.546 6.646 ( -0.000 9.654 -3.985) 10.444 8.629 ( 0.000 -39.669 -1.757) 39.708 ======================= 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 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 -0.000 2.047) 2.047 0.974 ( 0.000 -0.000 2.047) 2.047 1.803 ( 0.000 -0.000 4.521) 4.521 3.512 ( 0.000 0.000 -0.326) 0.326 3.512 ( -0.000 0.000 -0.326) 0.326 3.843 ( 0.000 0.000 -0.504) 0.504 3.843 ( 0.000 0.000 -0.504) 0.504 4.620 ( -0.000 0.000 -2.254) 2.254 5.737 ( 0.000 -0.000 0.512) 0.512 5.737 ( 0.000 -0.000 0.512) 0.512 6.174 ( 0.000 -0.000 0.454) 0.454 9.567 ( 0.000 -0.000 0.220) 0.220 ======================= 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 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 4.497 2.596 0.015) 5.193 1.148 ( 13.997 8.081 1.443) 16.227 1.728 ( -6.642 -3.834 1.392) 7.794 3.525 ( 1.177 0.679 -0.768) 1.561 3.637 ( 10.335 5.967 0.464) 11.943 3.847 ( 0.425 0.245 -0.377) 0.619 3.949 ( 8.947 5.166 -0.560) 10.347 4.616 ( 0.212 0.122 -0.789) 0.826 5.549 ( -11.713 -6.763 1.323) 13.590 5.731 ( -0.802 -0.463 -1.868) 2.085 6.386 ( 13.047 7.533 1.081) 15.105 9.295 ( -23.121 -13.349 0.492) 26.703 =================== 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 10.0 558.346 558.346 1149.659 -0.000 -0.000 -0.000 3/40500 20.0 252.520 252.520 306.391 -0.000 -0.000 -0.000 3/40500 30.0 128.682 128.682 122.978 -0.000 -0.000 -0.000 3/40500 40.0 65.374 65.374 53.698 -0.000 -0.000 -0.000 3/40500 50.0 38.214 38.214 27.891 -0.000 -0.000 -0.000 3/40500 60.0 25.553 25.553 17.106 -0.000 -0.000 -0.000 3/40500 70.0 18.821 18.821 11.842 -0.000 -0.000 -0.000 3/40500 80.0 14.814 14.814 8.914 -0.000 -0.000 -0.000 3/40500 90.0 12.210 12.210 7.111 -0.000 -0.000 -0.000 3/40500 100.0 10.400 10.400 5.911 -0.000 -0.000 -0.000 3/40500 110.0 9.074 9.074 5.063 -0.000 -0.000 -0.000 3/40500 120.0 8.063 8.063 4.435 -0.000 -0.000 -0.000 3/40500 130.0 7.266 7.266 3.952 -0.000 -0.000 -0.000 3/40500 140.0 6.620 6.620 3.568 -0.000 -0.000 -0.000 3/40500 150.0 6.087 6.087 3.257 -0.000 -0.000 -0.000 3/40500 160.0 5.637 5.637 2.998 -0.000 -0.000 -0.000 3/40500 170.0 5.253 5.253 2.780 -0.000 -0.000 -0.000 3/40500 180.0 4.921 4.921 2.594 -0.000 -0.000 -0.000 3/40500 190.0 4.631 4.631 2.432 -0.000 -0.000 -0.000 3/40500 200.0 4.374 4.374 2.290 -0.000 -0.000 -0.000 3/40500 210.0 4.146 4.146 2.165 -0.000 -0.000 -0.000 3/40500 220.0 3.941 3.941 2.054 -0.000 -0.000 -0.000 3/40500 230.0 3.757 3.757 1.954 -0.000 -0.000 -0.000 3/40500 240.0 3.590 3.590 1.863 -0.000 -0.000 -0.000 3/40500 250.0 3.437 3.437 1.781 -0.000 -0.000 -0.000 3/40500 260.0 3.297 3.297 1.707 -0.000 -0.000 -0.000 3/40500 270.0 3.169 3.169 1.638 -0.000 -0.000 -0.000 3/40500 280.0 3.051 3.051 1.575 -0.000 -0.000 -0.000 3/40500 290.0 2.941 2.941 1.517 -0.000 -0.000 -0.000 3/40500 300.0 2.839 2.839 1.463 -0.000 -0.000 -0.000 3/40500 310.0 2.744 2.744 1.413 -0.000 -0.000 -0.000 3/40500 320.0 2.656 2.656 1.367 -0.000 -0.000 -0.000 3/40500 330.0 2.573 2.573 1.323 -0.000 -0.000 -0.000 3/40500 340.0 2.495 2.495 1.283 -0.000 -0.000 -0.000 3/40500 350.0 2.422 2.422 1.244 -0.000 -0.000 -0.000 3/40500 360.0 2.353 2.353 1.208 -0.000 -0.000 -0.000 3/40500 370.0 2.288 2.288 1.174 -0.000 -0.000 -0.000 3/40500 380.0 2.227 2.227 1.142 -0.000 -0.000 -0.000 3/40500 390.0 2.169 2.169 1.112 -0.000 -0.000 -0.000 3/40500 400.0 2.114 2.114 1.083 -0.000 -0.000 -0.000 3/40500 410.0 2.061 2.061 1.056 -0.000 -0.000 -0.000 3/40500 420.0 2.011 2.011 1.030 -0.000 -0.000 -0.000 3/40500 430.0 1.964 1.964 1.006 -0.000 -0.000 -0.000 3/40500 440.0 1.919 1.919 0.982 -0.000 -0.000 -0.000 3/40500 450.0 1.876 1.876 0.960 -0.000 -0.000 -0.000 3/40500 460.0 1.835 1.835 0.939 -0.000 -0.000 -0.000 3/40500 470.0 1.795 1.795 0.918 -0.000 -0.000 -0.000 3/40500 480.0 1.757 1.757 0.899 -0.000 -0.000 -0.000 3/40500 490.0 1.721 1.721 0.880 -0.000 -0.000 -0.000 3/40500 500.0 1.687 1.687 0.862 -0.000 -0.000 -0.000 3/40500 510.0 1.653 1.653 0.845 -0.000 -0.000 -0.000 3/40500 520.0 1.621 1.621 0.829 -0.000 -0.000 -0.000 3/40500 530.0 1.590 1.590 0.813 -0.000 -0.000 -0.000 3/40500 540.0 1.561 1.561 0.797 -0.000 -0.000 -0.000 3/40500 550.0 1.532 1.532 0.783 -0.000 -0.000 -0.000 3/40500 560.0 1.505 1.505 0.769 -0.000 -0.000 -0.000 3/40500 570.0 1.478 1.478 0.755 -0.000 -0.000 -0.000 3/40500 580.0 1.453 1.453 0.742 -0.000 -0.000 -0.000 3/40500 590.0 1.428 1.428 0.729 -0.000 -0.000 -0.000 3/40500 600.0 1.404 1.404 0.717 -0.000 -0.000 -0.000 3/40500 610.0 1.381 1.381 0.705 -0.000 -0.000 -0.000 3/40500 620.0 1.359 1.359 0.694 -0.000 -0.000 -0.000 3/40500 630.0 1.337 1.337 0.682 -0.000 -0.000 -0.000 3/40500 640.0 1.316 1.316 0.672 -0.000 -0.000 -0.000 3/40500 650.0 1.296 1.296 0.661 -0.000 -0.000 -0.000 3/40500 660.0 1.276 1.276 0.651 -0.000 -0.000 -0.000 3/40500 670.0 1.257 1.257 0.641 -0.000 -0.000 -0.000 3/40500 680.0 1.239 1.239 0.632 -0.000 -0.000 -0.000 3/40500 690.0 1.221 1.221 0.623 -0.000 -0.000 -0.000 3/40500 700.0 1.203 1.203 0.614 -0.000 -0.000 -0.000 3/40500 710.0 1.186 1.186 0.605 -0.000 -0.000 -0.000 3/40500 720.0 1.170 1.170 0.597 -0.000 -0.000 -0.000 3/40500 730.0 1.154 1.154 0.588 -0.000 -0.000 -0.000 3/40500 740.0 1.138 1.138 0.580 -0.000 -0.000 -0.000 3/40500 750.0 1.123 1.123 0.573 -0.000 -0.000 -0.000 3/40500 760.0 1.108 1.108 0.565 -0.000 -0.000 -0.000 3/40500 770.0 1.094 1.094 0.558 -0.000 -0.000 -0.000 3/40500 780.0 1.080 1.080 0.551 -0.000 -0.000 -0.000 3/40500 790.0 1.066 1.066 0.544 -0.000 -0.000 -0.000 3/40500 800.0 1.053 1.053 0.537 -0.000 -0.000 -0.000 3/40500 810.0 1.040 1.040 0.530 -0.000 -0.000 -0.000 3/40500 820.0 1.027 1.027 0.524 -0.000 -0.000 -0.000 3/40500 830.0 1.015 1.015 0.517 -0.000 -0.000 -0.000 3/40500 840.0 1.003 1.003 0.511 -0.000 -0.000 -0.000 3/40500 850.0 0.991 0.991 0.505 -0.000 -0.000 -0.000 3/40500 860.0 0.979 0.979 0.499 -0.000 -0.000 -0.000 3/40500 870.0 0.968 0.968 0.493 -0.000 -0.000 -0.000 3/40500 880.0 0.957 0.957 0.488 -0.000 -0.000 -0.000 3/40500 890.0 0.946 0.946 0.482 -0.000 -0.000 -0.000 3/40500 900.0 0.936 0.936 0.477 -0.000 -0.000 -0.000 3/40500 910.0 0.926 0.926 0.472 -0.000 -0.000 -0.000 3/40500 920.0 0.916 0.916 0.467 -0.000 -0.000 -0.000 3/40500 930.0 0.906 0.906 0.462 -0.000 -0.000 -0.000 3/40500 940.0 0.896 0.896 0.457 -0.000 -0.000 -0.000 3/40500 950.0 0.887 0.887 0.452 -0.000 -0.000 -0.000 3/40500 960.0 0.878 0.878 0.447 -0.000 -0.000 -0.000 3/40500 970.0 0.868 0.868 0.442 -0.000 -0.000 -0.000 3/40500 980.0 0.860 0.860 0.438 -0.000 -0.000 -0.000 3/40500 990.0 0.851 0.851 0.434 -0.000 -0.000 -0.000 3/40500 1000.0 0.842 0.842 0.429 -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 01:44:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|