----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:42:48]------------------------- 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 1.912347349584374 1.104094257066603 6.056758659999994 b -1.912347349584370 1.104094257066603 6.056758659999994 c 0.000000000000002 -2.208188514133210 6.056758659999994 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 S 0.75033306181098 0.75033306181098 0.75033306181098 32.065 3 S 0.24966693818902 0.24966693818902 0.24966693818902 32.065 *4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.824694699168744 0.000000000000000 0.000000000000000 b -1.912347349584372 3.312282771199813 0.000000000000000 c 0.000000000000000 0.000000000000000 18.170275980000000 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 S 0.66666666666667 0.33333333333333 0.08366639514431 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.24966693818902 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.41699972847764 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.58300027152236 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.75033306181098 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.91633360485569 32.065 > 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 11.474084097506232 0.000000000000000 0.000000000000000 b -5.737042048753116 9.936848313599439 0.000000000000000 c 0.000000000000000 0.000000000000000 18.170275980000000 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 S 0.22222222222222 0.11111111111111 0.08366639514431 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.08366639514431 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.08366639514431 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.08366639514431 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.08366639514431 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.08366639514431 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.08366639514431 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.08366639514431 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.08366639514431 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.24966693818902 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.24966693818902 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.24966693818902 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.24966693818902 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.24966693818902 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.24966693818902 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.24966693818902 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.24966693818902 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.24966693818902 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.41699972847764 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.41699972847764 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.41699972847764 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.41699972847764 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.41699972847764 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.41699972847764 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.41699972847764 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.41699972847764 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.41699972847764 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.58300027152236 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.58300027152236 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.58300027152236 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.58300027152236 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.58300027152236 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.58300027152236 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.58300027152236 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.58300027152236 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.58300027152236 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.75033306181098 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.75033306181098 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.75033306181098 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.75033306181098 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.75033306181098 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.75033306181098 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.75033306181098 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.75033306181098 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.75033306181098 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.91633360485569 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.91633360485569 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.91633360485569 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.91633360485569 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.91633360485569 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.91633360485569 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.91633360485569 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.91633360485569 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.91633360485569 32.065 > 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 ---------------------------- 6.8691965 0.0000000 0.0000000 0.0000000 6.8691965 0.0000000 0.0000000 0.0000000 5.4374022 -------------------------- Born effective charges -------------------------- 1 Li 1.2248215 0.0000000 0.0000000 0.0000000 1.2248215 0.0000000 0.0000000 0.0000000 1.6478753 2 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 3 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 4 Er 4.3591276 0.0000000 0.0000000 0.0000000 4.3591276 0.0000000 0.0000000 0.0000000 2.3907728 ---------------------------------------------------------------------------- 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): 0.006 Solver_block: 80 / 80 - Time: 0.116 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.123 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:42:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:52]------------------------- 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 1.912347349584374 1.104094257066603 6.056758659999994 b -1.912347349584370 1.104094257066603 6.056758659999994 c 0.000000000000002 -2.208188514133210 6.056758659999994 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.75033306181098 0.75033306181098 0.75033306181098 32.065 3 S 0.24966693818902 0.24966693818902 0.24966693818902 32.065 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.474084097506232 0.000000000000000 0.000000000000000 b -5.737042048753116 9.936848313599439 0.000000000000000 c 0.000000000000000 0.000000000000000 18.170275980000000 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 S 0.22222222222222 0.11111111111111 0.08366639514431 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.08366639514431 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.08366639514431 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.08366639514431 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.08366639514431 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.08366639514431 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.08366639514431 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.08366639514431 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.08366639514431 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.24966693818902 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.24966693818902 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.24966693818902 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.24966693818902 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.24966693818902 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.24966693818902 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.24966693818902 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.24966693818902 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.24966693818902 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.41699972847764 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.41699972847764 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.41699972847764 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.41699972847764 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.41699972847764 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.41699972847764 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.41699972847764 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.41699972847764 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.41699972847764 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.58300027152236 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.58300027152236 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.58300027152236 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.58300027152236 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.58300027152236 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.58300027152236 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.58300027152236 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.58300027152236 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.58300027152236 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.75033306181098 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.75033306181098 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.75033306181098 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.75033306181098 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.75033306181098 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.75033306181098 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.75033306181098 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.75033306181098 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.75033306181098 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.91633360485569 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.91633360485569 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.91633360485569 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.91633360485569 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.91633360485569 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.91633360485569 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.91633360485569 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.91633360485569 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.91633360485569 32.065 > 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 ---------------------------- 6.8691965 0.0000000 0.0000000 0.0000000 6.8691965 0.0000000 0.0000000 0.0000000 5.4374022 -------------------------- Born effective charges -------------------------- 1 Li 1.2248215 0.0000000 0.0000000 0.0000000 1.2248215 0.0000000 0.0000000 0.0000000 1.6478753 2 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 3 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 4 Er 4.3591276 0.0000000 0.0000000 0.0000000 4.3591276 0.0000000 0.0000000 0.0000000 2.3907728 ---------------------------------------------------------------------------- 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) 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 01:42:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:42:57]------------------------- 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 1.912347349584374 1.104094257066603 6.056758659999994 b -1.912347349584370 1.104094257066603 6.056758659999994 c 0.000000000000002 -2.208188514133210 6.056758659999994 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 S 0.75033306181098 0.75033306181098 0.75033306181098 32.065 3 S 0.24966693818902 0.24966693818902 0.24966693818902 32.065 4 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.474084097506232 0.000000000000000 0.000000000000000 b -5.737042048753116 9.936848313599439 0.000000000000000 c 0.000000000000000 0.000000000000000 18.170275980000000 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 S 0.22222222222222 0.11111111111111 0.08366639514431 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.08366639514431 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.08366639514431 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.08366639514431 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.08366639514431 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.08366639514431 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.08366639514431 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.08366639514431 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.08366639514431 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.24966693818902 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.24966693818902 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.24966693818902 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.24966693818902 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.24966693818902 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.24966693818902 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.24966693818902 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.24966693818902 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.24966693818902 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.41699972847764 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.41699972847764 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.41699972847764 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.41699972847764 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.41699972847764 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.41699972847764 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.41699972847764 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.41699972847764 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.41699972847764 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.58300027152236 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.58300027152236 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.58300027152236 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.58300027152236 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.58300027152236 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.58300027152236 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.58300027152236 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.58300027152236 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.58300027152236 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.75033306181098 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.75033306181098 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.75033306181098 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.75033306181098 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.75033306181098 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.75033306181098 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.75033306181098 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.75033306181098 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.75033306181098 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.91633360485569 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.91633360485569 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.91633360485569 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.91633360485569 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.91633360485569 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.91633360485569 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.91633360485569 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.91633360485569 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.91633360485569 32.065 > 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 ---------------------------- 6.8691965 0.0000000 0.0000000 0.0000000 6.8691965 0.0000000 0.0000000 0.0000000 5.4374022 -------------------------- Born effective charges -------------------------- 1 Li 1.2248215 0.0000000 0.0000000 0.0000000 1.2248215 0.0000000 0.0000000 0.0000000 1.6478753 2 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 3 S -2.7919745 -0.0000000 0.0000000 0.0000000 -2.7919745 0.0000000 0.0000000 0.0000000 -2.0193240 4 Er 4.3591276 0.0000000 0.0000000 0.0000000 4.3591276 0.0000000 0.0000000 0.0000000 2.3907728 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.98, Number of G-points: 311, Lambda: 0.26 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-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 4.612 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 6.744 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 20.851 12.038 5.056) 24.602 0.516 ( 21.087 12.175 6.929) 25.316 0.947 ( 39.512 22.812 2.526) 45.694 4.633 ( 1.894 1.094 -0.080) 2.189 4.773 ( 7.067 4.080 -0.576) 8.181 6.164 ( 2.009 1.160 2.208) 3.203 6.285 ( 2.000 1.155 1.587) 2.802 6.735 ( -0.751 -0.433 0.024) 0.867 6.789 ( 4.174 2.410 -1.941) 5.195 8.509 ( -3.566 -2.059 -16.595) 17.099 8.668 ( -6.000 -3.464 11.204) 13.173 10.233 ( -5.234 -3.022 5.285) 8.029 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 19.809 11.436 3.984) 23.217 1.027 ( 20.716 11.961 5.952) 24.651 1.835 ( 35.935 20.747 0.709) 41.501 4.703 ( 4.229 2.442 0.047) 4.884 5.007 ( 12.726 7.347 1.009) 14.729 6.233 ( 2.514 1.452 4.311) 5.198 6.351 ( 2.659 1.535 3.725) 4.827 6.714 ( -0.642 -0.371 -1.025) 1.265 6.919 ( 7.389 4.266 -2.198) 8.811 8.303 ( -8.991 -5.191 -15.183) 18.393 8.526 ( -10.078 -5.819 15.566) 19.436 10.079 ( -7.964 -4.598 -5.459) 10.695 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 17.206 9.934 2.492) 20.024 1.510 ( 18.936 10.933 4.286) 22.282 2.601 ( 29.758 17.181 -1.201) 34.383 4.832 ( 6.706 3.872 0.247) 7.747 5.356 ( 16.345 9.437 2.520) 19.041 6.289 ( 0.162 0.094 6.097) 6.100 6.429 ( 2.971 1.715 2.971) 4.538 6.714 ( 1.683 0.972 -3.152) 3.703 7.098 ( 7.940 4.584 -0.963) 9.219 7.991 ( -14.093 -8.137 -5.897) 17.309 8.334 ( -9.849 -5.686 8.949) 14.471 9.825 ( -10.935 -6.313 -12.687) 17.900 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 12.604 7.277 0.786) 14.575 1.924 ( 15.367 8.872 2.294) 17.892 3.200 ( 22.213 12.825 -1.510) 25.694 5.007 ( 7.996 4.616 0.043) 9.233 5.755 ( 16.271 9.394 2.635) 18.972 6.280 ( -2.473 -1.428 6.084) 6.720 6.514 ( 3.724 2.150 1.278) 4.486 6.775 ( 4.417 2.550 -4.054) 6.515 7.242 ( 3.431 1.981 -0.448) 3.987 7.642 ( -13.597 -7.850 -0.233) 15.702 8.154 ( -7.706 -4.449 5.987) 10.725 9.492 ( -12.396 -7.157 -18.045) 23.033 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 6.886 3.976 -0.668) 7.980 2.235 ( 10.826 6.250 0.714) 12.521 3.633 ( 15.575 8.992 0.454) 17.990 5.181 ( 6.533 3.772 -0.815) 7.588 6.077 ( 9.458 5.461 0.428) 10.929 6.243 ( -1.938 -1.119 4.832) 5.325 6.612 ( 4.508 2.602 -0.206) 5.209 6.873 ( 4.847 2.798 -3.347) 6.521 7.200 ( -5.293 -3.056 1.223) 6.233 7.439 ( -4.046 -2.336 -2.101) 5.122 8.024 ( -6.030 -3.481 7.539) 10.262 9.152 ( -9.938 -5.738 -19.132) 22.309 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 2.313 1.335 -1.136) 2.902 2.434 ( 6.314 3.645 -0.007) 7.291 3.938 ( 10.152 5.861 2.544) 11.996 5.290 ( 3.145 1.816 -1.406) 3.894 6.146 ( -2.512 -1.450 -2.371) 3.746 6.235 ( -0.103 -0.060 3.154) 3.157 6.736 ( 6.482 3.742 -0.896) 7.538 6.964 ( 3.685 2.128 -1.985) 4.695 7.162 ( 1.725 0.996 4.589) 5.002 7.341 ( -3.583 -2.069 -5.189) 6.637 7.886 ( -8.397 -4.848 4.067) 10.515 8.934 ( -3.469 -2.003 -12.196) 12.837 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 0.327 0.189 -0.516) 0.639 2.531 ( 2.073 1.197 -0.072) 2.395 4.113 ( 3.822 2.207 1.627) 4.704 5.327 ( 0.715 0.413 -0.696) 1.080 6.050 ( -2.962 -1.710 -1.556) 3.757 6.249 ( 0.300 0.173 1.073) 1.128 6.868 ( 3.896 2.249 -0.781) 4.566 7.021 ( 1.405 0.811 -0.611) 1.733 7.225 ( -1.398 -0.807 2.731) 3.173 7.297 ( 3.681 2.125 -1.377) 4.468 7.687 ( -7.246 -4.184 -1.020) 8.429 8.876 ( -0.069 -0.040 -3.260) 3.261 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 23.294 3.602) 23.571 0.517 ( -0.000 22.423 7.538) 23.656 1.001 ( -0.000 44.322 11.360) 45.755 4.641 ( -0.000 2.387 1.317) 2.726 4.767 ( -0.000 8.539 -1.567) 8.681 6.115 ( 0.000 0.445 -6.411) 6.427 6.268 ( -0.000 2.167 -0.821) 2.317 6.752 ( -0.000 -0.234 2.956) 2.965 6.786 ( -0.000 4.786 -2.248) 5.288 8.433 ( 0.000 -3.968 -21.218) 21.586 8.703 ( -0.000 -4.368 10.348) 11.232 10.307 ( -0.000 -8.652 15.708) 17.933 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 12.333 17.557 7.670) 22.786 0.906 ( 14.259 19.951 3.219) 24.733 1.644 ( 18.611 37.062 6.177) 41.930 4.688 ( 1.547 3.966 1.131) 4.405 4.929 ( 7.050 11.332 0.341) 13.350 6.154 ( 5.336 -1.300 -2.119) 5.887 6.334 ( 4.230 2.664 -0.263) 5.006 6.741 ( -2.080 0.299 2.836) 3.529 6.863 ( 3.513 6.182 -3.215) 7.804 8.278 ( -3.068 -7.497 -17.830) 19.584 8.641 ( -4.861 -9.131 14.228) 17.591 10.178 ( -8.931 -5.483 3.334) 10.997 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 14.541 13.419 4.880) 20.379 1.375 ( 15.712 17.566 3.409) 23.813 2.353 ( 22.542 27.521 1.220) 35.596 4.789 ( 4.058 5.768 0.954) 7.117 5.231 ( 12.241 13.470 2.433) 18.363 6.231 ( 4.949 -2.374 2.594) 6.071 6.442 ( 3.866 4.269 -0.635) 5.795 6.717 ( -1.986 1.190 1.087) 2.557 7.004 ( 6.879 5.557 -3.003) 9.339 8.046 ( -6.915 -10.226 -11.888) 17.138 8.466 ( -8.851 -10.195 12.474) 18.381 9.928 ( -12.476 -5.776 -6.539) 15.224 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 12.992 9.391 2.048) 16.161 1.811 ( 13.545 15.654 2.253) 20.823 2.965 ( 20.703 18.461 -1.273) 27.768 4.948 ( 5.969 7.363 0.726) 9.506 5.620 ( 14.226 14.215 3.534) 20.419 6.284 ( 2.177 -2.318 4.320) 5.364 6.536 ( 1.026 5.660 0.255) 5.758 6.725 ( 1.673 2.639 -2.346) 3.907 7.167 ( 6.952 2.977 -2.242) 7.888 7.751 ( -10.310 -11.539 -4.707) 16.174 8.255 ( -8.099 -8.356 8.335) 14.314 9.587 ( -14.470 -7.196 -13.861) 21.290 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 9.039 5.286 -0.283) 10.475 2.165 ( 9.438 13.406 0.787) 16.414 3.437 ( 17.211 10.933 -0.848) 20.407 5.134 ( 5.696 7.915 -0.039) 9.752 5.995 ( 10.758 12.020 2.243) 16.286 6.296 ( -0.959 0.158 4.730) 4.829 6.604 ( 0.741 5.631 -0.208) 5.684 6.805 ( 4.459 3.525 -3.827) 6.852 7.237 ( -0.637 -1.735 -2.040) 2.752 7.474 ( -6.360 -7.814 -1.484) 10.184 8.099 ( -4.840 -6.124 8.177) 11.305 9.204 ( -12.918 -7.700 -18.029) 23.479 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 4.539 2.017 -1.587) 5.214 2.414 ( 4.872 10.923 0.024) 11.961 3.786 ( 13.514 5.297 0.699) 14.532 5.288 ( 2.846 7.812 -0.935) 8.366 6.189 ( -0.253 5.551 -0.995) 5.645 6.304 ( -2.461 4.101 4.563) 6.610 6.684 ( 3.193 5.005 -1.696) 6.174 6.900 ( 4.232 2.078 -3.449) 5.842 7.163 ( -0.625 -2.081 2.436) 3.264 7.362 ( -2.317 -1.925 -4.547) 5.454 7.984 ( -6.405 -6.176 7.360) 11.548 8.906 ( -4.936 -5.856 -15.011) 16.852 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 1.597 0.373 -1.533) 2.245 2.558 ( 0.603 8.478 0.080) 8.499 4.013 ( 8.676 0.307 0.193) 8.684 5.384 ( -0.927 8.889 -0.860) 8.979 6.124 ( -6.966 0.891 -1.772) 7.243 6.324 ( -3.219 6.617 2.945) 7.926 6.806 ( 5.374 3.713 -1.913) 6.806 6.959 ( 3.313 -1.407 -2.653) 4.472 7.224 ( 4.136 0.190 6.107) 7.378 7.302 ( -1.833 3.594 -5.582) 6.887 7.782 ( -9.758 -7.097 1.858) 12.208 8.812 ( 2.700 -3.865 -5.762) 7.445 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.528 -0.138 -0.657) 0.854 2.608 ( -3.533 6.179 0.489) 7.134 4.082 ( 2.063 -4.312 -2.817) 5.548 5.424 ( -4.841 8.860 -0.206) 10.098 6.059 ( -0.882 2.955 0.893) 3.210 6.332 ( -4.799 6.866 1.020) 8.439 6.883 ( 0.770 -0.253 -0.895) 1.207 6.980 ( 2.941 -3.165 0.150) 4.323 7.228 ( -2.065 0.282 -3.063) 3.705 7.364 ( -1.455 4.040 0.282) 4.303 7.629 ( 1.270 -1.812 3.678) 4.293 8.827 ( 3.955 -3.947 0.513) 5.611 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -0.614 -1.001 0.114) 1.180 2.562 ( -7.821 3.953 0.798) 8.800 3.986 ( -4.447 -7.184 -4.559) 9.601 5.392 ( -6.639 5.009 0.660) 8.343 6.150 ( 3.012 6.632 2.754) 7.787 6.303 ( -5.390 5.428 -0.897) 7.702 6.818 ( -5.628 -2.275 0.494) 6.091 6.985 ( -0.374 -2.345 1.995) 3.101 7.155 ( -1.807 -2.853 -6.334) 7.178 7.359 ( -1.071 3.267 4.738) 5.854 7.770 ( 8.383 2.901 -0.324) 8.876 8.886 ( 6.075 -2.672 7.506) 10.019 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -3.981 -3.145 -0.028) 5.073 2.417 ( -12.460 1.518 0.579) 12.566 3.766 ( -9.982 -8.442 -2.851) 13.381 5.297 ( -8.193 0.956 0.786) 8.286 6.207 ( -6.248 2.715 2.015) 7.104 6.263 ( -3.338 3.813 -2.778) 5.780 6.693 ( -6.285 -0.083 -0.008) 6.285 6.933 ( -3.650 -2.106 2.402) 4.850 7.132 ( 3.976 0.763 -2.970) 5.021 7.408 ( 1.615 0.399 3.301) 3.697 7.910 ( 6.816 1.479 -5.820) 9.084 9.073 ( 11.319 1.675 15.015) 18.878 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -9.529 -5.762 -1.146) 11.194 2.159 ( -17.321 -1.211 -0.373) 17.367 3.442 ( -16.864 -9.061 0.088) 19.144 5.134 ( -9.965 -1.454 0.129) 10.071 5.982 ( -17.591 -3.492 -0.077) 17.934 6.247 ( -0.429 1.621 -4.092) 4.422 6.598 ( -5.804 2.029 -1.285) 6.281 6.845 ( -4.837 -2.227 3.208) 6.217 7.245 ( 2.753 0.914 -0.379) 2.925 7.476 ( 9.286 1.509 -1.121) 9.474 8.030 ( 7.907 1.792 -4.325) 9.189 9.393 ( 13.851 4.688 15.912) 21.611 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -15.366 -7.180 -2.379) 17.127 1.791 ( -21.564 -3.299 -1.494) 21.866 2.979 ( -26.404 -9.126 1.401) 27.971 4.943 ( -9.429 -1.821 -0.161) 9.604 5.594 ( -20.098 -4.943 -1.183) 20.730 6.234 ( 0.369 -1.594 -4.588) 4.871 6.520 ( -5.742 3.420 -2.490) 7.132 6.758 ( -3.579 -1.832 3.352) 5.235 7.178 ( -5.746 -3.731 -0.373) 6.862 7.778 ( 18.143 5.208 -0.021) 18.876 8.189 ( 9.080 2.396 -3.245) 9.936 9.729 ( 12.627 4.764 11.647) 17.827 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -20.047 -6.025 -2.601) 21.094 1.348 ( -24.269 -3.305 -1.718) 24.553 2.350 ( -36.304 -7.203 0.797) 37.021 4.784 ( -6.977 -1.014 -0.013) 7.050 5.214 ( -17.569 -3.332 -0.704) 17.896 6.195 ( -0.246 -2.787 -3.517) 4.494 6.435 ( -6.224 1.971 -2.025) 6.836 6.720 ( -0.721 -0.392 1.650) 1.843 7.023 ( -7.552 -2.540 0.314) 7.974 8.148 ( 17.682 3.141 4.181) 18.439 8.354 ( 8.669 1.886 -5.464) 10.420 9.995 ( 9.589 2.957 5.535) 11.460 ======================= 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 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -22.927 0.000 0.000) 22.927 0.889 ( -25.356 0.000 0.000) 25.356 1.608 ( -43.343 0.000 0.000) 43.343 4.682 ( -4.227 0.000 0.000) 4.227 4.928 ( -12.879 0.000 0.000) 12.879 6.162 ( -0.653 0.000 0.000) 0.653 6.339 ( -5.037 0.000 0.000) 5.037 6.724 ( 0.683 -0.000 -0.000) 0.683 6.883 ( -6.911 0.000 0.000) 6.911 8.465 ( 14.446 -0.000 -0.000) 14.446 8.475 ( 5.926 -0.000 -0.000) 5.926 10.158 ( 6.181 -0.000 -0.000) 6.181 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -0.000 23.243 2.702) 23.400 1.002 ( -0.000 20.551 5.970) 21.401 1.923 ( -0.000 39.817 7.269) 40.475 4.727 ( -0.000 4.809 2.197) 5.287 5.001 ( -0.000 15.026 0.411) 15.032 6.067 ( 0.000 0.874 -9.415) 9.456 6.319 ( -0.000 2.529 1.657) 3.023 6.780 ( -0.000 0.449 3.971) 3.996 6.891 ( -0.000 7.489 -4.038) 8.508 8.150 ( 0.000 -10.035 -16.514) 19.324 8.626 ( -0.000 -11.673 12.789) 17.316 10.221 ( 0.000 -7.519 5.300) 9.200 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 6.620 17.233 5.645) 19.304 1.341 ( 10.852 21.282 1.690) 23.949 2.404 ( 8.776 33.477 3.150) 34.751 4.806 ( 1.982 6.506 2.027) 7.097 5.228 ( 6.488 17.366 1.989) 18.645 6.110 ( 6.440 0.065 -5.186) 8.269 6.386 ( 3.831 2.718 -0.308) 4.708 6.785 ( -1.859 1.666 3.334) 4.165 6.972 ( 2.518 6.981 -4.419) 8.637 7.962 ( -2.319 -12.412 -12.759) 17.950 8.505 ( -4.191 -13.407 11.053) 17.874 10.065 ( -10.022 -6.945 0.031) 12.194 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 8.996 12.402 3.170) 15.646 1.765 ( 12.774 19.128 1.587) 23.056 2.884 ( 12.054 23.709 -0.583) 26.604 4.945 ( 4.377 8.483 1.676) 9.692 5.574 ( 10.867 18.181 3.027) 21.396 6.216 ( 5.526 0.086 1.203) 5.656 6.498 ( 6.282 3.365 -3.706) 8.032 6.781 ( -2.494 3.682 1.748) 4.779 7.078 ( 4.821 4.031 -4.308) 7.619 7.729 ( -4.835 -13.754 -7.711) 16.492 8.312 ( -6.326 -12.269 8.330) 16.123 9.752 ( -15.964 -7.046 -6.503) 18.623 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 8.052 7.564 0.406) 11.055 2.158 ( 10.154 17.408 0.716) 20.166 3.288 ( 12.948 14.047 -1.256) 19.145 5.131 ( 5.372 9.759 1.036) 11.188 5.957 ( 10.784 16.442 1.983) 19.763 6.301 ( 2.519 1.565 3.941) 4.932 6.628 ( 4.576 4.842 -3.680) 7.610 6.802 ( -0.413 6.137 -0.919) 6.220 7.167 ( 4.441 -0.917 -4.687) 6.522 7.475 ( -5.810 -12.281 -3.116) 13.939 8.132 ( -4.456 -9.237 7.393) 12.642 9.341 ( -17.852 -7.746 -11.838) 22.778 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 5.349 3.483 -1.587) 6.577 2.463 ( 5.510 15.734 -0.153) 16.672 3.612 ( 12.566 6.496 0.096) 14.146 5.320 ( 4.201 10.449 0.123) 11.263 6.242 ( 3.949 11.446 -0.648) 12.125 6.380 ( 1.334 4.692 4.630) 6.726 6.715 ( 0.699 6.097 -3.499) 7.065 6.867 ( 0.947 5.224 -3.163) 6.180 7.136 ( -0.572 -6.851 -1.425) 7.021 7.336 ( 0.674 -3.180 -3.647) 4.886 8.025 ( -2.698 -7.416 8.640) 11.702 8.933 ( -13.000 -7.591 -13.321) 20.102 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 2.763 1.028 -2.187) 3.671 2.665 ( 0.697 13.896 -0.095) 13.914 3.849 ( 10.023 0.630 0.219) 10.045 5.488 ( 1.940 12.466 -0.300) 12.620 6.284 ( -7.882 5.131 -2.537) 9.741 6.461 ( -0.875 7.384 4.378) 8.629 6.770 ( 1.977 5.168 -4.553) 7.166 6.898 ( 0.607 0.481 -3.405) 3.491 7.139 ( 6.470 -2.716 4.372) 8.267 7.336 ( 0.288 3.328 -5.598) 6.519 7.884 ( -8.511 -7.937 4.833) 12.601 8.703 ( -0.515 -6.266 -7.037) 9.436 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 1.340 0.111 -1.600) 2.090 2.769 ( -3.763 11.956 0.746) 12.557 3.961 ( 5.151 -4.196 -2.176) 6.991 5.625 ( -3.064 14.736 -0.738) 15.069 6.154 ( -6.947 2.938 -0.737) 7.578 6.517 ( -4.506 9.004 2.273) 10.322 6.845 ( 2.959 2.385 -3.148) 4.935 6.896 ( 2.356 -2.486 -0.474) 3.458 7.247 ( 1.389 -0.129 1.200) 1.840 7.387 ( 3.759 6.297 -3.398) 8.083 7.658 ( -7.762 -6.472 3.832) 10.809 8.683 ( 5.402 -6.594 -0.963) 8.579 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.356 -0.419 -0.708) 0.897 2.780 ( -8.193 9.801 1.643) 12.880 3.931 ( -0.181 -7.227 -4.704) 8.625 5.619 ( -10.604 9.408 -0.994) 14.210 6.187 ( 2.905 8.811 1.784) 9.447 6.488 ( -7.634 6.002 -0.235) 9.714 6.881 ( -1.371 2.579 0.450) 2.955 6.938 ( 3.981 -2.458 2.691) 5.397 7.163 ( -5.756 -2.599 -5.465) 8.352 7.454 ( -3.507 3.571 1.101) 5.124 7.648 ( 7.862 -0.083 3.531) 8.619 8.731 ( 7.941 -6.517 3.181) 10.754 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -1.987 -1.548 -0.363) 2.545 2.688 ( -12.874 6.895 1.803) 14.715 3.793 ( -4.510 -7.903 -4.457) 10.132 5.490 ( -10.934 3.843 0.014) 11.590 6.339 ( -0.648 9.805 1.169) 9.895 6.395 ( -7.064 2.898 -0.532) 7.654 6.836 ( -7.396 3.781 1.496) 8.440 6.978 ( -0.989 0.482 2.960) 3.158 7.049 ( 1.326 -3.855 -3.506) 5.377 7.427 ( -2.326 -0.061 2.110) 3.141 7.781 ( 6.637 -0.194 -3.249) 7.392 8.892 ( 13.762 -2.551 8.923) 16.599 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -6.568 -2.860 -0.727) 7.200 2.478 ( -17.547 3.146 0.923) 17.851 3.589 ( -9.392 -6.517 -1.809) 11.574 5.319 ( -11.373 0.706 0.051) 11.395 6.272 ( -14.615 2.506 0.397) 14.834 6.304 ( -5.362 1.019 -0.483) 5.479 6.744 ( -7.625 4.262 -0.778) 8.770 6.932 ( -5.307 1.055 2.149) 5.822 7.141 ( 9.673 0.899 -0.613) 9.734 7.382 ( 0.104 -3.811 -0.506) 3.846 7.887 ( 7.814 0.124 -3.233) 8.457 9.202 ( 17.102 1.307 10.178) 19.944 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -12.280 -2.830 -0.999) 12.642 2.154 ( -21.432 0.210 -0.049) 21.434 3.305 ( -17.511 -3.941 0.162) 17.950 5.117 ( -11.537 -0.379 -0.112) 11.544 5.938 ( -22.177 -1.042 0.166) 22.202 6.238 ( -2.820 -0.097 -1.428) 3.162 6.656 ( -6.452 3.148 -1.403) 7.315 6.835 ( -6.101 -0.565 1.868) 6.406 7.217 ( -1.942 -2.213 -0.382) 2.969 7.502 ( 16.146 1.424 -0.911) 16.235 8.035 ( 9.343 0.642 -1.168) 9.438 9.546 ( 16.125 1.878 6.177) 17.370 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -17.292 0.000 0.000) 17.292 1.754 ( -23.851 0.000 0.000) 23.851 2.888 ( -28.025 0.000 0.000) 28.025 4.925 ( -9.786 0.000 0.000) 9.786 5.541 ( -21.552 0.000 0.000) 21.552 6.193 ( -1.661 0.000 0.000) 1.661 6.558 ( -6.549 0.000 0.000) 6.549 6.752 ( -3.160 0.000 0.000) 3.160 7.128 ( -5.854 0.000 0.000) 5.854 7.834 ( 19.689 -0.000 -0.000) 19.689 8.201 ( 9.209 -0.000 -0.000) 9.209 9.824 ( 13.049 -0.000 -0.000) 13.049 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -0.000 17.140 3.491) 17.492 1.466 ( -0.000 22.286 1.933) 22.370 2.679 ( -0.000 31.270 1.656) 31.314 4.863 ( -0.000 6.963 2.102) 7.273 5.374 ( -0.000 20.614 3.169) 20.856 6.027 ( 0.000 1.839 -7.876) 8.087 6.387 ( -0.000 2.883 1.515) 3.257 6.827 ( -0.000 1.698 2.815) 3.288 7.008 ( -0.000 7.098 -5.509) 8.985 7.802 ( 0.000 -14.224 -10.507) 17.683 8.432 ( 0.000 -14.839 8.600) 17.151 10.083 ( 0.000 -8.356 0.568) 8.375 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 3.367 13.716 2.361) 14.319 1.776 ( 8.775 20.439 1.270) 22.280 2.997 ( 3.588 24.169 -1.230) 24.465 4.971 ( 2.996 8.193 1.695) 8.887 5.646 ( 4.783 21.508 3.728) 22.347 6.102 ( 7.657 2.791 -3.317) 8.799 6.440 ( 2.429 2.927 -0.491) 3.835 6.848 ( -0.834 2.534 1.627) 3.125 7.059 ( 1.005 5.006 -6.123) 7.972 7.608 ( -1.537 -14.865 -7.104) 16.547 8.284 ( -2.849 -14.025 6.154) 15.578 9.900 ( -10.437 -8.597 -2.544) 13.759 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 4.803 9.034 0.268) 10.235 2.155 ( 11.035 18.424 0.824) 21.492 3.271 ( 5.744 15.544 -2.139) 16.709 5.140 ( 5.303 9.372 1.275) 10.843 5.973 ( 7.815 18.202 1.593) 19.873 6.276 ( 6.017 4.913 3.171) 8.390 6.543 ( 6.741 4.159 -3.625) 8.710 6.872 ( -0.174 4.359 0.155) 4.366 7.085 ( 1.236 0.208 -6.948) 7.061 7.406 ( -2.812 -12.867 -3.786) 13.704 8.120 ( -3.217 -11.059 5.344) 12.697 9.547 ( -17.482 -8.686 -6.380) 20.537 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 4.313 4.701 -1.776) 6.622 2.512 ( 8.535 17.182 0.034) 19.185 3.501 ( 7.930 7.777 -0.533) 11.120 5.341 ( 5.781 10.177 0.707) 11.726 6.269 ( 7.048 13.003 -0.284) 14.793 6.407 ( 2.432 5.263 3.461) 6.752 6.701 ( 5.380 5.683 -3.648) 8.634 6.944 ( 0.019 8.855 -2.263) 9.139 7.035 ( 0.532 -8.333 -6.093) 10.336 7.265 ( 0.342 -5.544 -1.981) 5.897 8.006 ( -1.337 -8.175 6.917) 10.792 9.102 ( -19.095 -8.483 -8.727) 22.644 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 3.061 1.768 -2.662) 4.426 2.786 ( 3.595 16.247 -0.426) 16.646 3.696 ( 8.570 1.506 0.909) 8.749 5.550 ( 5.306 12.048 0.360) 13.169 6.441 ( -1.487 8.849 -1.930) 9.179 6.507 ( 2.760 3.819 2.091) 5.155 6.785 ( -0.245 3.782 -4.094) 5.579 6.936 ( 0.594 -0.248 -3.860) 3.913 7.006 ( 1.369 0.014 -0.454) 1.442 7.306 ( 4.967 3.006 -3.704) 6.887 7.928 ( -3.078 -7.862 6.999) 10.967 8.709 ( -11.492 -7.225 -6.713) 15.144 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 2.039 0.459 -2.243) 3.066 2.961 ( -1.552 15.019 0.343) 15.103 3.819 ( 6.023 -3.492 -0.273) 6.967 5.773 ( 3.896 15.501 0.042) 15.983 6.352 ( -11.718 3.452 -2.951) 12.567 6.596 ( 2.869 1.674 0.830) 3.423 6.821 ( 2.260 2.247 0.424) 3.215 6.906 ( -3.999 4.053 -4.305) 7.138 7.130 ( 11.053 -0.585 2.228) 11.290 7.396 ( 0.866 6.135 -5.552) 8.320 7.758 ( -8.594 -7.211 4.110) 11.948 8.543 ( 0.922 -6.831 -1.045) 6.972 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 1.249 0.021 -1.237) 1.758 3.037 ( -6.572 13.184 1.837) 14.846 3.828 ( 1.970 -6.873 -3.007) 7.757 5.913 ( -9.123 12.946 -1.780) 15.937 6.239 ( -0.329 6.381 0.100) 6.390 6.615 ( -2.301 -0.057 -1.220) 2.605 6.839 ( 2.716 -4.256 0.277) 5.056 6.948 ( 0.518 8.758 1.367) 8.879 7.248 ( -3.583 0.931 -0.932) 3.817 7.460 ( 7.065 2.566 -3.050) 8.112 7.602 ( -4.485 -2.133 4.631) 6.790 8.535 ( 6.009 -7.793 1.140) 9.907 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.250 -0.407 -0.486) 0.682 3.001 ( -11.998 9.660 2.498) 15.605 3.746 ( -0.979 -7.311 -4.140) 8.459 5.752 ( -14.371 4.353 -0.848) 15.040 6.421 ( 4.815 12.527 0.341) 13.425 6.525 ( -6.245 -0.123 -1.632) 6.455 6.861 ( 4.727 -6.401 1.893) 8.179 7.041 ( -0.630 4.772 1.686) 5.100 7.111 ( -10.084 4.800 0.426) 11.176 7.488 ( -4.554 -1.174 -1.416) 4.912 7.649 ( 7.271 -1.076 0.541) 7.370 8.633 ( 12.956 -5.093 3.522) 14.360 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -3.381 -0.760 -0.248) 3.474 2.824 ( -16.900 4.063 1.262) 17.427 3.637 ( -3.505 -4.100 -2.094) 5.786 5.540 ( -12.856 1.204 -0.100) 12.912 6.407 ( -6.346 0.074 -0.753) 6.391 6.522 ( -7.371 5.765 0.573) 9.375 6.903 ( -2.354 0.596 1.083) 2.659 6.954 ( 3.933 -2.853 -1.189) 5.002 7.114 ( -7.063 9.189 3.652) 12.151 7.356 ( -3.261 -6.728 -2.187) 7.790 7.749 ( 6.484 -0.494 -1.460) 6.665 8.909 ( 19.056 -0.851 4.040) 19.498 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -7.874 0.000 0.000) 7.874 2.520 ( -19.883 0.000 0.000) 19.883 3.511 ( -8.858 0.000 0.000) 8.858 5.326 ( -12.360 0.000 0.000) 12.360 6.304 ( -18.699 0.000 0.000) 18.699 6.306 ( -5.034 0.000 0.000) 5.034 6.786 ( -7.089 0.000 0.000) 7.089 6.987 ( -10.514 0.000 0.000) 10.514 7.140 ( 10.983 -0.000 -0.000) 10.983 7.315 ( 3.343 -0.000 -0.000) 3.343 7.876 ( 8.617 -0.000 -0.000) 8.617 9.255 ( 19.116 -0.000 -0.000) 19.116 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -0.000 12.148 0.348) 12.153 1.903 ( -0.000 19.490 1.527) 19.550 3.188 ( -0.000 19.784 -3.059) 20.019 5.027 ( -0.000 8.027 0.773) 8.064 5.857 ( -0.000 23.021 5.795) 23.739 6.042 ( -0.000 4.000 -3.014) 5.008 6.453 ( -0.000 2.986 0.032) 2.986 6.882 ( -0.000 2.285 0.529) 2.345 7.072 ( 0.000 3.018 -7.167) 7.777 7.451 ( 0.000 -13.561 -4.900) 14.420 8.187 ( 0.000 -13.158 3.991) 13.750 9.890 ( 0.000 -10.087 -2.664) 10.433 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 1.474 8.570 -1.073) 8.761 2.167 ( 7.873 17.238 1.097) 18.982 3.354 ( 1.253 13.449 -3.735) 14.014 5.146 ( 4.034 8.170 0.150) 9.113 6.062 ( 1.694 13.435 1.733) 13.651 6.223 ( 8.943 11.304 3.737) 14.890 6.496 ( 2.110 3.523 -1.242) 4.290 6.900 ( -0.166 1.780 -0.629) 1.895 7.051 ( 0.086 -2.007 -8.024) 8.271 7.319 ( -1.271 -6.983 -2.780) 7.623 8.066 ( -1.385 -10.196 3.379) 10.830 9.679 ( -10.240 -10.783 -4.547) 15.550 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 2.283 4.709 -2.459) 5.782 2.505 ( 10.877 15.486 0.501) 18.931 3.482 ( 2.997 7.338 -2.097) 8.199 5.325 ( 6.705 8.377 -0.066) 10.731 6.259 ( 6.732 9.369 1.135) 11.592 6.427 ( 2.508 4.639 1.841) 5.586 6.638 ( 7.759 7.049 -0.840) 10.516 6.905 ( 1.480 -3.959 -4.689) 6.313 7.007 ( 1.179 1.524 -4.858) 5.226 7.245 ( -3.135 0.813 -1.524) 3.580 7.971 ( -1.210 -6.777 4.624) 8.293 9.307 ( -16.975 -10.648 -6.113) 20.950 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 2.452 1.925 -3.095) 4.393 2.836 ( 8.949 14.819 -0.401) 17.316 3.597 ( 5.033 1.867 0.517) 5.393 5.544 ( 8.027 9.645 0.098) 12.549 6.446 ( 5.476 1.664 -3.348) 6.630 6.506 ( 3.155 4.957 4.130) 7.182 6.788 ( 4.667 -1.384 -3.787) 6.167 6.829 ( -1.033 -0.271 -4.513) 4.638 7.127 ( 0.470 11.178 -3.562) 11.741 7.215 ( 2.206 1.133 -0.268) 2.494 7.913 ( -1.396 -5.462 5.809) 8.095 8.873 ( -17.292 -9.025 -5.446) 20.252 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 2.328 0.581 -2.575) 3.520 3.096 ( 3.956 14.600 -0.676) 15.142 3.687 ( 5.155 -3.165 1.410) 6.211 5.804 ( 8.768 12.654 0.398) 15.400 6.485 ( 2.792 -2.629 -3.805) 5.403 6.564 ( -4.105 0.762 -1.005) 4.295 6.813 ( 5.867 -0.348 4.989) 7.709 6.896 ( 3.929 2.487 -3.740) 5.968 7.092 ( -7.006 7.170 -4.991) 11.198 7.388 ( 7.101 6.662 -2.913) 10.163 7.815 ( -5.159 -7.447 4.720) 10.215 8.546 ( -8.956 -5.938 -1.510) 10.851 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 2.009 0.163 -1.431) 2.472 3.259 ( -1.882 13.887 0.688) 14.031 3.707 ( 2.862 -7.275 -0.484) 7.833 6.089 ( 6.080 15.288 -0.305) 16.456 6.378 ( -10.763 1.078 -2.197) 11.037 6.548 ( 5.416 -5.355 -0.031) 7.616 6.817 ( -4.997 -1.892 -1.224) 5.482 7.019 ( 2.784 5.424 3.320) 6.942 7.137 ( 10.944 1.102 -2.923) 11.381 7.485 ( -3.452 5.976 -4.559) 8.271 7.670 ( -3.735 -4.408 4.084) 7.076 8.415 ( -0.523 -5.536 0.916) 5.636 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.180 -0.001 -0.463) 1.268 3.296 ( -9.098 9.601 2.042) 13.383 3.656 ( 1.530 -7.066 -2.392) 7.615 6.061 ( -16.510 3.210 -0.956) 16.846 6.429 ( 7.468 11.289 -0.852) 13.562 6.578 ( 1.290 -2.646 0.533) 2.992 6.714 ( 0.500 -6.991 -0.545) 7.030 7.088 ( -0.316 2.621 0.500) 2.687 7.323 ( -0.975 5.207 4.273) 6.806 7.440 ( 4.421 -1.697 -4.780) 6.728 7.609 ( -3.665 -0.209 1.457) 3.949 8.415 ( 6.476 -4.008 0.878) 7.667 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -0.593 0.000 0.000) 0.593 3.132 ( -14.821 0.000 0.000) 14.821 3.635 ( 0.240 -0.000 -0.000) 0.240 5.791 ( -15.214 0.000 0.000) 15.214 6.508 ( -4.936 0.000 0.000) 4.936 6.627 ( 0.651 -0.000 -0.000) 0.651 6.731 ( 9.207 -0.000 -0.000) 9.207 7.047 ( -5.615 0.000 0.000) 5.615 7.306 ( -2.644 0.000 0.000) 2.644 7.388 ( -8.927 0.000 0.000) 8.927 7.639 ( 5.813 -0.000 -0.000) 5.813 8.593 ( 15.728 -0.000 -0.000) 15.728 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -0.000 6.208 -2.672) 6.759 2.260 ( -0.000 14.706 1.256) 14.760 3.445 ( -0.000 9.178 -4.597) 10.265 5.183 ( -0.000 7.152 -0.859) 7.203 6.151 ( -0.000 7.052 2.326) 7.426 6.289 ( -0.000 12.042 4.780) 12.956 6.512 ( -0.000 3.719 -0.671) 3.779 6.915 ( 0.000 1.231 -1.839) 2.213 6.963 ( 0.000 -7.513 -8.114) 11.058 7.313 ( -0.000 4.364 -1.386) 4.579 8.000 ( 0.000 -7.019 2.847) 7.574 9.634 ( 0.000 -12.669 -5.024) 13.629 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.644 3.299 -3.437) 4.807 2.473 ( 8.113 12.188 0.881) 14.668 3.506 ( 0.781 4.948 -3.520) 6.122 5.290 ( 4.919 6.345 -1.114) 8.106 6.260 ( 2.568 6.706 3.335) 7.918 6.411 ( 3.841 1.561 1.299) 4.345 6.586 ( 4.352 4.656 0.617) 6.403 6.841 ( -1.245 -5.023 -7.271) 8.925 6.946 ( 2.979 -0.621 -3.647) 4.749 7.370 ( -3.001 11.050 0.244) 11.453 7.956 ( -0.887 -2.474 3.810) 4.628 9.397 ( -9.211 -13.509 -5.879) 17.375 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.477 1.237 -3.365) 3.878 2.773 ( 12.180 10.611 0.204) 16.155 3.554 ( 2.123 1.496 -1.093) 2.818 5.471 ( 8.904 6.348 -0.828) 10.966 6.342 ( 3.329 -2.768 -0.679) 4.382 6.506 ( 3.718 4.381 3.679) 6.823 6.701 ( 2.017 -1.011 -5.380) 5.834 6.796 ( 4.186 1.476 -3.297) 5.529 7.021 ( 8.330 0.196 -1.495) 8.466 7.401 ( -7.001 11.222 0.115) 13.227 7.940 ( -2.702 1.223 4.644) 5.511 9.031 ( -14.182 -12.350 -5.432) 19.575 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 2.148 0.331 -2.428) 3.259 3.085 ( 11.266 9.847 -0.704) 14.979 3.597 ( 2.684 -1.796 1.022) 3.387 5.725 ( 12.187 7.915 -0.073) 14.531 6.346 ( 3.822 -6.259 -2.193) 7.655 6.613 ( -0.780 0.272 0.175) 0.844 6.678 ( 5.605 0.020 -1.449) 5.789 6.897 ( 2.800 3.715 -1.862) 5.011 7.240 ( 13.911 2.577 -0.229) 14.149 7.340 ( -11.160 8.367 -1.663) 14.048 7.878 ( -7.030 -1.297 3.197) 7.831 8.672 ( -12.224 -7.457 -2.459) 14.528 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 2.399 0.086 -1.073) 2.629 3.343 ( 7.328 9.455 -0.860) 11.993 3.601 ( 0.849 -5.521 1.214) 5.717 6.046 ( 13.588 9.910 0.322) 16.821 6.350 ( 5.209 -7.278 -1.060) 9.012 6.535 ( -5.232 -0.819 -1.820) 5.599 6.855 ( 11.761 0.288 3.534) 12.284 6.927 ( -3.279 1.695 -1.803) 4.108 7.186 ( -10.416 3.999 -2.576) 11.451 7.494 ( 9.940 4.676 -2.048) 11.174 7.711 ( -8.033 -4.811 2.462) 9.681 8.454 ( -7.252 -2.495 0.175) 7.672 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 2.092 -0.000 -0.000) 2.092 3.502 ( -5.932 0.000 0.000) 5.932 3.533 ( 5.899 -0.000 -0.000) 5.899 6.328 ( -7.175 0.000 0.000) 7.175 6.365 ( 12.879 -0.000 -0.000) 12.879 6.428 ( -0.154 0.000 0.000) 0.154 6.784 ( -9.376 0.000 0.000) 9.376 7.112 ( -1.179 0.000 0.000) 1.179 7.117 ( 16.348 -0.000 -0.000) 16.348 7.539 ( -8.260 0.000 0.000) 8.260 7.639 ( 2.246 -0.000 -0.000) 2.246 8.357 ( -1.887 0.000 0.000) 1.887 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.000 1.369 -3.839) 4.076 2.506 ( -0.000 8.858 0.870) 8.900 3.522 ( 0.000 2.219 -3.418) 4.075 5.295 ( -0.000 4.672 -1.271) 4.842 6.345 ( 0.000 -4.625 0.431) 4.646 6.346 ( -0.000 8.941 5.315) 10.401 6.588 ( -0.000 2.770 -0.064) 2.771 6.778 ( 0.000 -4.161 -7.603) 8.667 6.894 ( 0.000 -1.467 -3.714) 3.993 7.522 ( -0.000 11.155 1.332) 11.234 7.994 ( -0.000 5.823 4.884) 7.600 9.306 ( 0.000 -15.677 -6.432) 16.946 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.685 0.221 -3.073) 3.156 2.664 ( 8.936 6.253 0.492) 10.918 3.532 ( 0.992 0.475 -1.903) 2.198 5.382 ( 5.817 3.478 -0.984) 6.849 6.285 ( -0.270 -4.114 0.090) 4.124 6.501 ( 3.732 5.924 4.321) 8.227 6.645 ( 3.263 2.566 -2.972) 5.105 6.724 ( 1.827 -1.957 -2.695) 3.799 6.891 ( 3.965 -2.746 -3.739) 6.103 7.583 ( -2.993 5.674 0.757) 6.459 8.087 ( -3.727 12.505 5.614) 14.205 9.055 ( -7.010 -15.495 -6.140) 18.081 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 1.625 -0.011 -1.573) 2.261 2.923 ( 13.843 3.935 0.005) 14.392 3.553 ( 1.683 -0.379 -0.251) 1.744 5.561 ( 11.424 2.688 -0.434) 11.744 6.253 ( 0.854 -3.121 -0.552) 3.283 6.603 ( 3.219 1.720 2.551) 4.452 6.632 ( -1.327 -0.762 -3.790) 4.087 6.850 ( 5.509 3.169 -0.375) 6.366 6.994 ( 13.467 -1.539 -0.756) 13.576 7.549 ( -5.887 2.872 0.138) 6.552 8.088 ( -11.253 7.456 2.999) 13.828 8.762 ( -8.501 -9.008 -3.184) 12.789 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.269 -0.000 -0.000) 2.269 3.191 ( 13.511 -0.000 -0.000) 13.511 3.574 ( 0.778 -0.000 -0.000) 0.778 5.820 ( 15.880 -0.000 -0.000) 15.880 6.254 ( 1.781 -0.000 -0.000) 1.781 6.588 ( -2.388 0.000 0.000) 2.388 6.701 ( 6.820 -0.000 -0.000) 6.820 6.930 ( 2.683 -0.000 -0.000) 2.683 7.267 ( 16.187 -0.000 -0.000) 16.187 7.422 ( -11.215 0.000 0.000) 11.215 7.886 ( -13.525 0.000 0.000) 13.525 8.577 ( -7.986 0.000 0.000) 7.986 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 0.000 -0.210 -1.838) 1.850 2.628 ( -0.000 2.917 0.314) 2.934 3.518 ( 0.000 -0.096 -1.208) 1.212 5.351 ( -0.000 1.595 -0.531) 1.681 6.250 ( 0.000 -3.050 -0.200) 3.056 6.555 ( -0.000 6.742 4.724) 8.232 6.628 ( -0.000 2.272 -1.772) 2.881 6.676 ( 0.000 -2.733 -1.514) 3.124 6.806 ( 0.000 -3.709 -3.966) 5.430 7.640 ( -0.000 1.401 0.387) 1.453 8.303 ( -0.000 15.522 5.630) 16.511 8.932 ( 0.000 -14.953 -5.688) 15.998 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.867 -0.000 -0.000) 0.867 2.730 ( 9.402 -0.000 -0.000) 9.402 3.525 ( 1.126 -0.000 -0.000) 1.126 5.414 ( 6.299 -0.000 -0.000) 6.299 6.233 ( -0.054 0.000 0.000) 0.054 6.588 ( 0.161 -0.000 -0.000) 0.161 6.644 ( -1.093 0.000 0.000) 1.093 6.752 ( 10.384 -0.000 -0.000) 10.384 6.802 ( 3.100 -0.000 -0.000) 3.100 7.628 ( -2.252 0.000 0.000) 2.252 8.338 ( -8.317 0.000 0.000) 8.317 8.794 ( -3.553 0.000 0.000) 3.553 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -0.000 -0.000 22.233) 22.233 0.249 ( -0.000 -0.000 22.233) 22.233 0.435 ( -0.000 -0.000 39.069) 39.069 4.619 ( -0.000 -0.000 1.237) 1.237 4.619 ( -0.000 -0.000 1.237) 1.237 6.109 ( 0.000 0.000 -4.498) 4.498 6.109 ( 0.000 0.000 -4.498) 4.498 6.763 ( -0.000 -0.000 3.264) 3.264 6.763 ( -0.000 -0.000 3.264) 3.264 8.247 ( 0.000 0.000 -12.227) 12.227 8.650 ( -0.000 -0.000 9.670) 9.670 10.870 ( -0.000 -0.000 0.342) 0.342 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 17.759 10.253 11.796) 23.657 0.632 ( 18.038 10.414 13.273) 24.698 1.055 ( 32.580 18.810 16.079) 40.912 4.639 ( 1.688 0.975 1.060) 2.219 4.765 ( 8.453 4.881 -0.119) 9.762 6.161 ( 3.722 2.149 -2.659) 5.054 6.269 ( 7.133 4.118 -5.436) 9.868 6.754 ( -1.458 -0.842 3.366) 3.764 6.769 ( 2.316 1.337 -0.194) 2.681 8.282 ( -0.754 -0.435 -21.205) 21.223 8.778 ( 0.121 0.070 8.721) 8.722 10.368 ( -18.759 -10.831 14.658) 26.155 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 17.960 10.369 6.641) 21.776 1.109 ( 19.051 10.999 8.557) 23.604 1.870 ( 32.935 19.015 5.285) 38.395 4.709 ( 4.125 2.382 0.991) 4.865 5.026 ( 13.541 7.818 2.771) 15.879 6.252 ( 4.382 2.530 -0.835) 5.129 6.385 ( 3.635 2.099 1.627) 4.502 6.721 ( -2.125 -1.227 2.286) 3.353 6.882 ( 7.755 4.478 -3.965) 9.794 8.128 ( -5.904 -3.409 -16.294) 17.663 8.691 ( -10.183 -5.879 14.031) 18.307 10.035 ( -13.675 -7.895 -2.581) 16.000 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 15.962 9.215 2.551) 18.606 1.564 ( 17.595 10.158 5.244) 20.982 2.596 ( 28.379 16.384 0.100) 32.769 4.838 ( 6.557 3.786 0.869) 7.621 5.398 ( 16.603 9.586 5.118) 19.843 6.336 ( 1.948 1.125 2.062) 3.052 6.459 ( 2.368 1.367 2.141) 3.473 6.690 ( -0.136 -0.078 -0.895) 0.909 7.072 ( 8.963 5.175 -3.634) 10.969 7.898 ( -9.611 -5.549 -10.143) 15.034 8.458 ( -12.825 -7.405 12.805) 19.577 9.682 ( -14.360 -8.291 -12.955) 21.043 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 11.820 6.824 -0.576) 13.661 1.952 ( 14.339 8.279 2.644) 16.767 3.183 ( 22.392 12.928 -1.568) 25.904 5.009 ( 7.592 4.383 0.241) 8.770 5.800 ( 15.323 8.846 5.420) 18.504 6.341 ( -2.223 -1.284 4.875) 5.510 6.523 ( 2.968 1.714 0.347) 3.445 6.729 ( 4.154 2.398 -4.025) 6.261 7.222 ( 3.787 2.187 -3.275) 5.464 7.619 ( -11.317 -6.534 -3.685) 13.578 8.245 ( -8.487 -4.900 10.357) 14.258 9.285 ( -14.114 -8.149 -19.151) 25.147 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 6.666 3.849 -2.404) 8.064 2.245 ( 10.254 5.920 1.096) 11.891 3.630 ( 16.596 9.582 -1.055) 19.192 5.171 ( 6.054 3.495 -0.898) 7.048 6.095 ( 7.397 4.271 2.861) 9.008 6.300 ( -2.420 -1.397 5.320) 6.009 6.601 ( 4.064 2.346 -1.663) 4.979 6.831 ( 5.436 3.139 -4.136) 7.518 7.201 ( -2.976 -1.718 -1.362) 3.696 7.410 ( -5.476 -3.162 -2.807) 6.918 8.122 ( -6.927 -3.999 10.081) 12.869 8.939 ( -8.051 -4.648 -19.190) 21.323 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.691 1.553 -2.673) 4.099 2.438 ( 6.116 3.531 0.616) 7.089 3.944 ( 10.577 6.107 -1.470) 12.301 5.274 ( 3.209 1.853 -1.366) 3.949 6.130 ( -3.477 -2.007 -0.479) 4.043 6.278 ( -1.071 -0.618 4.635) 4.797 6.718 ( 6.574 3.796 -2.480) 7.986 6.936 ( 4.486 2.590 -3.099) 6.036 7.196 ( 2.947 1.701 0.264) 3.413 7.299 ( -3.601 -2.079 -1.293) 4.354 7.931 ( -11.387 -6.574 4.092) 13.771 8.813 ( 1.022 0.590 -9.369) 9.443 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 1.019 0.588 -1.875) 2.213 2.534 ( 2.021 1.167 0.700) 2.436 4.096 ( 3.198 1.846 -4.619) 5.913 5.320 ( 1.303 0.752 -0.452) 1.571 6.044 ( -1.979 -1.142 0.581) 2.358 6.272 ( -0.965 -0.557 3.136) 3.328 6.852 ( 4.683 2.704 -2.282) 5.869 7.006 ( 2.182 1.260 -1.961) 3.193 7.207 ( -1.392 -0.804 -4.463) 4.744 7.313 ( 2.740 1.582 2.806) 4.229 7.706 ( -6.767 -3.907 4.764) 9.152 8.848 ( 2.748 1.586 -1.848) 3.672 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 0.318 0.184 -0.875) 0.949 2.536 ( -2.161 -1.247 0.831) 2.630 4.063 ( -3.763 -2.173 -7.201) 8.410 5.335 ( -0.198 -0.114 0.799) 0.831 6.076 ( 3.764 2.173 3.144) 5.364 6.249 ( -1.708 -0.986 1.059) 2.238 6.870 ( -3.203 -1.849 -0.610) 3.749 7.020 ( -0.561 -0.324 -0.710) 0.961 7.163 ( -1.235 -0.713 -7.242) 7.381 7.332 ( 0.306 0.177 4.085) 4.101 7.722 ( 4.473 2.583 5.176) 7.312 8.919 ( 3.431 1.981 4.276) 5.830 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -2.055 -1.186 -0.479) 2.420 2.438 ( -6.606 -3.814 0.627) 7.654 3.891 ( -8.617 -4.975 -5.713) 11.473 5.304 ( -3.157 -1.823 1.168) 3.828 6.180 ( 1.806 1.043 3.589) 4.151 6.210 ( -1.237 -0.714 -1.436) 2.025 6.737 ( -6.453 -3.726 -0.689) 7.484 6.980 ( -2.771 -1.600 0.864) 3.314 7.110 ( -0.117 -0.067 -4.691) 4.693 7.396 ( 2.574 1.486 4.434) 5.338 7.846 ( 5.180 2.991 -2.798) 6.603 9.072 ( 7.551 4.360 12.493) 15.235 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -7.105 -4.102 -1.093) 8.277 2.229 ( -11.467 -6.620 -0.215) 13.243 3.620 ( -13.793 -7.963 -1.921) 16.042 5.189 ( -6.899 -3.983 0.604) 7.990 6.086 ( -11.097 -6.407 2.004) 12.970 6.195 ( 0.866 0.500 -3.907) 4.032 6.606 ( -4.724 -2.727 -1.156) 5.576 6.904 ( -4.105 -2.370 2.365) 5.298 7.179 ( 6.757 3.901 -2.531) 8.203 7.448 ( 1.929 1.114 -0.654) 2.322 7.960 ( 6.257 3.612 -3.902) 8.211 9.351 ( 11.104 6.411 16.615) 20.987 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -13.000 -7.506 -2.062) 15.152 1.903 ( -16.267 -9.392 -1.549) 18.847 3.215 ( -21.421 -12.367 1.073) 24.758 5.008 ( -8.179 -4.722 0.219) 9.446 5.742 ( -17.250 -9.959 0.241) 19.920 6.211 ( 1.721 0.993 -6.308) 6.613 6.497 ( -4.221 -2.437 -1.835) 5.208 6.816 ( -4.092 -2.363 3.397) 5.819 7.233 ( -3.217 -1.857 -2.046) 4.241 7.623 ( 14.753 8.518 -3.491) 17.389 8.114 ( 7.557 4.363 -1.342) 8.828 9.674 ( 11.113 6.416 14.790) 19.581 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -17.529 -10.121 -2.240) 20.365 1.472 ( -19.778 -11.419 -2.517) 22.976 2.623 ( -30.015 -17.329 2.528) 34.750 4.833 ( -6.684 -3.859 0.522) 7.736 5.341 ( -16.423 -9.482 -0.284) 18.966 6.209 ( 0.158 0.091 -8.012) 8.014 6.399 ( -3.514 -2.029 -2.366) 4.697 6.753 ( -2.236 -1.291 3.705) 4.516 7.093 ( -7.023 -4.055 -1.790) 8.304 8.003 ( 17.499 10.103 -4.424) 20.685 8.289 ( 7.300 4.215 1.354) 8.538 9.954 ( 8.703 5.025 10.379) 14.447 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -19.915 -11.498 -0.364) 22.999 0.983 ( -21.200 -12.240 -1.816) 24.547 1.856 ( -36.420 -21.027 4.426) 42.286 4.709 ( -4.242 -2.449 1.050) 5.009 5.000 ( -12.503 -7.219 -0.247) 14.440 6.164 ( -1.214 -0.701 -7.872) 7.996 6.319 ( -2.599 -1.500 -1.673) 3.435 6.739 ( -0.268 -0.155 3.201) 3.216 6.923 ( -6.701 -3.869 -1.477) 7.877 8.331 ( 11.838 6.835 -15.685) 20.805 8.480 ( 8.083 4.667 13.037) 16.034 10.150 ( 5.603 3.235 6.988) 9.523 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 17.644 11.405) 21.009 0.663 ( -0.000 16.302 17.476) 23.900 1.170 ( -0.000 36.653 18.374) 41.001 4.662 ( -0.000 2.573 2.531) 3.609 4.752 ( -0.000 9.666 -0.644) 9.688 6.029 ( 0.000 -0.785 -8.796) 8.831 6.256 ( -0.000 6.364 -2.365) 6.790 6.767 ( -0.000 2.061 0.029) 2.061 6.795 ( -0.000 -0.164 4.536) 4.539 8.200 ( 0.000 -1.201 -20.019) 20.054 8.805 ( -0.000 0.485 8.707) 8.720 10.479 ( 0.000 -18.331 13.060) 22.508 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 13.317 16.850 7.163) 22.640 0.982 ( 11.447 14.491 12.906) 22.530 1.733 ( 15.223 33.451 9.297) 37.910 4.706 ( 0.902 4.282 2.119) 4.862 4.940 ( 8.190 11.674 1.892) 14.385 6.104 ( 10.056 -1.628 -6.898) 12.302 6.337 ( 3.602 3.333 0.198) 4.912 6.777 ( -2.484 0.695 3.019) 3.971 6.829 ( 2.762 4.744 -1.799) 5.776 8.084 ( -1.819 -5.372 -17.241) 18.150 8.784 ( -3.638 -7.988 11.823) 14.725 10.219 ( -14.177 -9.453 3.517) 17.399 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 12.271 12.592 5.697) 18.482 1.427 ( 15.514 15.052 6.078) 22.454 2.373 ( 20.375 25.805 2.052) 32.943 4.804 ( 3.609 5.992 1.714) 7.201 5.269 ( 13.215 13.303 4.591) 19.305 6.238 ( 8.109 -1.471 -1.810) 8.438 6.433 ( 4.215 2.099 -0.485) 4.734 6.739 ( -3.720 1.160 2.605) 4.687 6.962 ( 7.209 5.757 -4.402) 10.222 7.907 ( -4.402 -7.616 -13.024) 15.716 8.608 ( -9.261 -12.083 12.945) 19.983 9.854 ( -17.591 -6.600 -6.951) 20.033 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 11.312 9.031 1.231) 14.527 1.842 ( 12.928 14.139 3.298) 19.440 2.951 ( 20.127 18.059 -1.209) 27.068 4.959 ( 5.427 7.433 1.121) 9.271 5.672 ( 14.400 13.082 5.702) 20.273 6.324 ( 3.372 -1.904 2.646) 4.691 6.525 ( 3.094 3.973 -2.141) 5.472 6.711 ( -1.332 2.762 -0.237) 3.076 7.129 ( 7.485 2.910 -4.704) 9.307 7.683 ( -7.182 -9.250 -7.351) 13.827 8.365 ( -8.995 -10.355 11.446) 17.864 9.429 ( -18.491 -6.622 -14.594) 24.469 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 8.079 5.266 -1.872) 9.824 2.177 ( 9.043 12.488 1.381) 15.480 3.424 ( 17.603 11.492 -1.486) 21.075 5.133 ( 4.971 7.894 -0.006) 9.328 6.030 ( 9.862 9.880 4.132) 14.558 6.349 ( -0.376 0.037 4.711) 4.726 6.592 ( 0.720 4.785 -1.933) 5.211 6.764 ( 3.740 3.913 -3.577) 6.488 7.199 ( 1.025 -1.300 -4.820) 5.097 7.448 ( -6.024 -7.621 -2.894) 10.136 8.207 ( -4.517 -6.871 11.300) 13.975 9.003 ( -14.546 -5.862 -18.204) 24.027 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 4.408 2.281 -3.141) 5.873 2.418 ( 4.860 10.478 0.721) 11.573 3.780 ( 13.566 5.914 -1.738) 14.901 5.277 ( 2.408 8.019 -0.988) 8.431 6.188 ( -1.427 3.595 0.685) 3.928 6.360 ( -2.851 3.792 5.454) 7.229 6.655 ( 3.328 4.436 -3.491) 6.553 6.860 ( 4.551 2.275 -3.743) 6.316 7.175 ( 1.527 0.230 -0.991) 1.835 7.320 ( -2.396 -3.243 -2.430) 4.708 8.065 ( -9.416 -7.847 7.077) 14.153 8.754 ( -1.402 -2.430 -11.989) 12.313 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 2.068 0.808 -2.857) 3.619 2.564 ( 0.703 8.404 0.945) 8.486 3.989 ( 7.629 0.542 -4.353) 8.800 5.374 ( -0.785 9.167 -0.994) 9.254 6.114 ( -6.203 0.677 -0.086) 6.240 6.366 ( -4.178 5.869 4.539) 8.515 6.773 ( 6.025 3.569 -4.014) 8.072 6.930 ( 4.164 -0.910 -2.396) 4.889 7.237 ( -1.535 3.582 -6.426) 7.515 7.287 ( 3.932 0.242 5.358) 6.651 7.813 ( -10.028 -7.328 4.071) 13.070 8.762 ( 5.299 -1.759 -3.292) 6.482 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 1.152 0.297 -1.926) 2.264 2.618 ( -3.577 6.365 1.380) 7.431 4.024 ( 1.062 -3.758 -7.604) 8.548 5.420 ( -4.130 8.603 -0.423) 9.552 6.077 ( 0.310 3.198 2.246) 3.920 6.354 ( -5.843 5.929 2.883) 8.810 6.863 ( 2.236 0.199 -2.922) 3.685 6.981 ( 3.602 -1.266 0.019) 3.818 7.170 ( -3.936 -0.422 -7.129) 8.155 7.374 ( -0.359 3.696 1.725) 4.095 7.701 ( 1.121 -2.400 8.804) 9.194 8.837 ( 6.389 -2.551 1.172) 6.979 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.237 -0.774 -1.263) 1.501 2.575 ( -8.152 4.242 1.511) 9.313 3.917 ( -3.805 -5.999 -7.640) 10.432 5.399 ( -5.980 4.689 0.466) 7.613 6.180 ( 3.105 5.888 2.585) 7.141 6.306 ( -6.346 4.899 1.364) 8.132 6.816 ( -5.505 -1.598 -1.012) 5.821 7.000 ( -0.917 -1.036 0.580) 1.500 7.087 ( -0.219 -1.579 -5.984) 6.193 7.406 ( 0.057 2.510 3.706) 4.476 7.777 ( 4.273 0.064 1.898) 4.675 8.971 ( 10.172 -1.131 7.688) 12.800 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -4.065 -3.186 -1.398) 5.350 2.425 ( -13.131 1.690 0.944) 13.273 3.725 ( -8.181 -7.180 -4.428) 11.751 5.305 ( -8.192 0.604 0.526) 8.231 6.215 ( -4.899 2.466 -1.001) 5.576 6.261 ( -6.588 3.196 2.720) 7.811 6.685 ( -6.644 -0.011 -1.503) 6.812 6.951 ( -3.017 -1.628 0.959) 3.560 7.100 ( 4.538 1.895 -2.687) 5.604 7.429 ( 0.070 -0.919 0.327) 0.978 7.863 ( 6.021 1.123 -2.582) 6.647 9.228 ( 14.083 1.398 12.730) 19.035 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -9.893 -5.787 -1.878) 11.615 2.156 ( -18.179 -1.108 -0.205) 18.214 3.438 ( -15.341 -8.393 -0.911) 17.511 5.137 ( -10.066 -1.686 0.252) 10.209 5.991 ( -18.469 -4.153 1.692) 19.006 6.208 ( -2.197 2.489 -2.843) 4.371 6.578 ( -6.042 1.585 -2.346) 6.673 6.875 ( -4.114 -2.088 2.227) 5.123 7.230 ( 2.963 1.639 -2.466) 4.189 7.450 ( 8.422 1.637 -3.566) 9.291 8.003 ( 8.445 2.310 -0.776) 8.789 9.548 ( 14.461 2.108 12.053) 18.943 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -15.685 -6.756 -1.438) 17.138 1.777 ( -22.301 -2.838 -1.051) 22.506 2.994 ( -25.657 -9.424 1.142) 27.357 4.945 ( -9.340 -1.942 0.518) 9.554 5.593 ( -20.635 -5.170 0.855) 21.289 6.185 ( -1.052 0.623 -4.223) 4.397 6.487 ( -5.933 3.121 -3.163) 7.413 6.795 ( -3.267 -2.286 3.136) 5.072 7.160 ( -5.476 -2.906 -2.747) 6.781 7.751 ( 18.382 6.623 -4.685) 20.092 8.184 ( 9.160 2.310 1.951) 9.646 9.838 ( 12.377 0.834 7.874) 14.693 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -19.990 -4.629 1.371) 20.565 1.335 ( -24.535 -2.096 -0.442) 24.628 2.370 ( -35.611 -8.502 2.663) 36.709 4.789 ( -6.848 -1.301 1.028) 7.046 5.214 ( -17.741 -3.149 0.582) 18.028 6.157 ( -1.186 1.129 -3.549) 3.908 6.405 ( -5.888 3.181 -2.863) 7.279 6.748 ( -0.881 -2.015 3.220) 3.899 7.011 ( -7.275 -1.850 -2.476) 7.905 8.096 ( 15.894 4.654 -10.839) 19.793 8.389 ( 10.408 1.730 9.155) 13.969 10.046 ( 9.674 -1.758 3.361) 10.391 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 20.687 6.277) 21.618 1.106 ( -0.000 16.148 12.641) 20.508 2.005 ( -0.000 35.825 7.200) 36.542 4.757 ( -0.000 4.613 3.184) 5.605 5.012 ( -0.000 15.950 1.853) 16.057 5.962 ( 0.000 1.082 -9.457) 9.519 6.346 ( -0.000 2.879 2.632) 3.900 6.824 ( -0.000 0.003 3.983) 3.983 6.843 ( -0.000 6.441 -4.167) 7.671 7.973 ( 0.000 -7.512 -15.544) 17.264 8.760 ( 0.000 -11.788 11.570) 16.518 10.260 ( 0.000 -10.397 1.622) 10.523 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.527 14.656 7.829) 17.511 1.378 ( 11.000 18.761 5.678) 22.477 2.434 ( 7.435 30.862 2.011) 31.809 4.833 ( 1.653 6.325 2.797) 7.111 5.259 ( 6.954 17.776 3.664) 19.436 6.043 ( 9.808 1.121 -6.660) 11.908 6.398 ( 1.860 1.861 2.207) 3.435 6.818 ( -2.238 1.281 2.487) 3.582 6.919 ( 2.871 6.210 -4.858) 8.391 7.822 ( -1.508 -9.477 -12.479) 15.742 8.627 ( -4.069 -15.512 11.077) 19.491 10.045 ( -12.613 -7.880 -3.744) 15.336 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.425 10.778 3.513) 13.551 1.793 ( 12.590 17.536 3.458) 21.862 2.873 ( 11.485 22.707 -1.419) 25.486 4.966 ( 3.970 8.346 2.187) 9.497 5.614 ( 11.052 17.222 4.228) 20.896 6.220 ( 8.919 1.531 -0.582) 9.068 6.467 ( 4.122 2.240 -1.463) 4.914 6.797 ( -3.134 3.022 1.192) 4.515 7.023 ( 5.203 3.483 -5.639) 8.426 7.639 ( -3.288 -10.931 -8.430) 14.190 8.412 ( -6.217 -14.927 9.806) 18.911 9.664 ( -19.335 -6.402 -9.378) 22.423 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 6.859 6.782 -0.605) 9.665 2.171 ( 9.680 16.422 1.686) 19.137 3.272 ( 13.356 14.373 -1.641) 19.689 5.143 ( 4.751 9.643 1.193) 10.816 5.983 ( 10.494 14.222 2.598) 17.865 6.347 ( 3.104 2.106 4.243) 5.663 6.582 ( 5.290 4.538 -4.316) 8.198 6.794 ( -1.839 5.535 -0.677) 5.871 7.105 ( 4.782 -1.441 -6.611) 8.285 7.434 ( -4.306 -10.554 -4.135) 12.125 8.227 ( -3.481 -10.730 9.811) 14.950 9.202 ( -20.721 -5.831 -13.355) 25.333 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 4.872 3.346 -2.908) 6.587 2.466 ( 5.387 15.185 0.672) 16.126 3.607 ( 12.696 7.343 -0.968) 14.698 5.322 ( 3.587 10.590 0.058) 11.181 6.240 ( 3.326 9.509 0.174) 10.076 6.432 ( 1.665 4.060 4.677) 6.413 6.669 ( 0.622 5.140 -4.419) 6.807 6.834 ( 0.233 5.056 -2.722) 5.747 7.108 ( 3.091 -4.356 -3.830) 6.572 7.298 ( -0.608 -4.213 -2.965) 5.188 8.127 ( -3.266 -8.797 9.688) 13.488 8.789 ( -12.716 -4.247 -12.536) 18.354 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.954 1.353 -3.316) 4.642 2.670 ( 0.994 13.724 0.896) 13.789 3.837 ( 8.916 1.325 -2.274) 9.296 5.483 ( 1.547 12.845 -0.626) 12.953 6.261 ( -7.610 4.066 -1.634) 8.782 6.511 ( -0.896 6.368 4.494) 7.846 6.715 ( 2.337 4.965 -5.258) 7.599 6.867 ( 1.223 0.753 -2.249) 2.669 7.183 ( 8.819 -1.065 2.947) 9.359 7.272 ( -0.624 2.206 -5.265) 5.743 7.933 ( -10.658 -8.654 4.048) 14.313 8.643 ( 2.294 -3.518 -3.826) 5.681 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.828 0.641 -2.610) 3.250 2.784 ( -3.462 12.136 1.817) 12.750 3.920 ( 3.451 -3.440 -5.291) 7.193 5.612 ( -3.440 14.543 -1.528) 15.022 6.152 ( -5.126 2.914 0.271) 5.903 6.544 ( -5.132 6.971 2.521) 9.016 6.805 ( 3.859 4.187 -4.013) 6.966 6.897 ( 3.793 -1.529 0.493) 4.119 7.228 ( -4.289 0.680 -4.754) 6.439 7.373 ( 7.125 4.267 1.065) 8.373 7.715 ( -5.267 -6.193 6.459) 10.383 8.678 ( 6.474 -5.418 0.003) 8.442 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 0.730 0.068 -1.789) 1.934 2.803 ( -8.272 10.134 2.528) 13.324 3.866 ( -0.871 -6.047 -6.993) 9.286 5.607 ( -9.675 9.271 -1.165) 13.450 6.205 ( 3.320 8.183 1.467) 8.952 6.491 ( -7.468 4.074 0.827) 8.547 6.880 ( -0.271 4.893 -0.580) 4.934 6.966 ( 4.399 -1.506 2.194) 5.141 7.096 ( -6.717 -0.978 -6.459) 9.370 7.460 ( -1.249 3.002 0.257) 3.262 7.705 ( 4.204 -3.174 6.559) 8.412 8.768 ( 10.634 -5.685 3.236) 12.485 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -1.960 -1.181 -1.435) 2.701 2.710 ( -13.438 6.934 2.113) 15.268 3.738 ( -3.648 -6.390 -5.434) 9.147 5.490 ( -10.489 3.702 -0.035) 11.123 6.338 ( -2.555 7.951 -0.799) 8.389 6.408 ( -4.677 3.324 2.149) 6.127 6.844 ( -9.112 4.651 -0.160) 10.232 6.990 ( -2.028 0.033 -1.846) 2.742 7.026 ( 3.387 -1.012 0.250) 3.544 7.435 ( -2.290 -1.719 -0.670) 2.940 7.764 ( 4.458 -1.380 0.309) 4.677 8.983 ( 16.636 -3.313 7.321) 18.475 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -6.775 -2.399 -1.294) 7.303 2.488 ( -18.189 2.904 0.742) 18.434 3.566 ( -8.205 -5.298 -2.370) 10.050 5.320 ( -11.357 0.558 0.191) 11.372 6.259 ( -10.369 2.472 -1.545) 10.771 6.326 ( -10.132 0.525 3.302) 10.670 6.726 ( -8.360 4.587 -2.383) 9.829 6.948 ( -4.787 1.328 0.841) 5.038 7.130 ( 8.875 1.755 -1.450) 9.162 7.359 ( -0.176 -3.925 -3.367) 5.174 7.870 ( 7.943 0.650 0.209) 7.973 9.296 ( 18.219 -2.099 6.738) 19.539 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -12.320 -1.962 -0.388) 12.481 2.152 ( -21.766 0.303 -0.193) 21.769 3.302 ( -16.905 -3.753 -0.608) 17.327 5.119 ( -11.480 -0.447 0.487) 11.499 5.944 ( -22.152 -1.581 0.887) 22.226 6.232 ( -3.772 0.901 0.429) 3.902 6.629 ( -6.968 4.423 -3.294) 8.887 6.854 ( -5.469 -1.639 1.480) 5.898 7.198 ( -1.899 -1.056 -2.971) 3.681 7.482 ( 15.788 2.952 -2.619) 16.274 8.039 ( 9.681 0.896 1.665) 9.864 9.593 ( 16.334 -3.137 2.236) 16.782 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -16.742 1.147 2.045) 16.905 1.756 ( -23.667 0.781 0.337) 23.682 2.887 ( -27.603 -0.893 -0.125) 27.618 4.931 ( -9.724 -0.206 0.908) 9.769 5.549 ( -21.483 0.035 1.482) 21.534 6.201 ( -1.823 2.332 1.239) 3.208 6.539 ( -6.581 3.097 -3.159) 7.930 6.761 ( -2.781 -2.823 1.563) 4.260 7.115 ( -5.891 1.203 -2.342) 6.453 7.803 ( 17.770 1.904 -5.255) 18.628 8.234 ( 10.933 -0.144 5.477) 12.229 9.806 ( 13.321 -5.595 -3.310) 14.823 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 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 13.395 7.540) 15.371 1.498 ( -0.000 20.938 3.741) 21.270 2.686 ( -0.000 28.799 -0.464) 28.803 4.888 ( -0.000 6.224 2.501) 6.708 5.418 ( -0.000 21.628 4.794) 22.153 5.948 ( 0.000 3.553 -6.300) 7.233 6.413 ( -0.000 1.697 3.075) 3.512 6.854 ( -0.000 0.783 2.098) 2.240 6.941 ( -0.000 6.573 -6.436) 9.199 7.689 ( 0.000 -11.047 -9.923) 14.849 8.529 ( 0.000 -17.650 8.957) 19.792 10.058 ( 0.000 -8.698 -4.956) 10.011 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 2.904 10.783 4.057) 11.881 1.798 ( 8.611 19.390 2.801) 21.400 2.975 ( 3.544 22.844 -2.724) 23.277 4.991 ( 3.143 7.363 1.865) 8.220 5.692 ( 3.731 21.308 4.368) 22.069 6.071 ( 9.882 5.369 -2.044) 11.430 6.446 ( 0.952 1.601 1.608) 2.461 6.861 ( -1.005 1.695 0.741) 2.106 6.985 ( 1.228 4.226 -7.143) 8.389 7.532 ( -1.169 -11.952 -6.660) 13.732 8.356 ( -2.534 -16.735 6.943) 18.295 9.843 ( -11.756 -8.117 -7.730) 16.244 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 3.971 7.285 0.153) 8.298 2.169 ( 10.744 17.600 1.720) 20.692 3.245 ( 6.479 15.536 -2.478) 17.015 5.154 ( 5.347 8.643 1.289) 10.245 5.990 ( 6.969 16.750 1.326) 18.190 6.314 ( 7.567 6.499 3.712) 10.643 6.513 ( 4.883 3.937 -1.644) 6.485 6.870 ( -0.682 3.840 -0.490) 3.931 7.002 ( 1.578 -1.005 -8.063) 8.277 7.365 ( -2.209 -10.749 -3.588) 11.546 8.186 ( -2.082 -12.671 6.676) 14.473 9.455 ( -19.138 -7.299 -10.198) 22.881 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 3.806 4.008 -2.525) 6.076 2.515 ( 8.216 16.582 0.576) 18.515 3.495 ( 8.750 8.514 -0.604) 12.224 5.349 ( 5.646 9.826 0.647) 11.351 6.263 ( 6.514 12.574 -0.891) 14.189 6.446 ( 2.266 3.421 3.551) 5.427 6.668 ( 4.550 6.770 -2.051) 8.411 6.911 ( -2.073 6.176 -4.110) 7.703 6.967 ( 3.869 -5.944 -5.550) 9.006 7.245 ( -0.151 -4.994 -1.749) 5.294 8.089 ( 0.010 -9.326 8.139) 12.378 8.996 ( -19.891 -5.997 -10.555) 23.303 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 3.093 1.883 -3.329) 4.918 2.785 ( 3.858 15.822 0.290) 16.289 3.701 ( 8.124 2.330 -0.029) 8.451 5.553 ( 5.090 12.173 0.225) 13.196 6.411 ( -1.963 7.339 -3.236) 8.257 6.529 ( 2.426 2.673 1.478) 3.900 6.753 ( -0.182 5.803 -1.247) 5.938 6.890 ( 0.098 1.462 -4.217) 4.464 7.005 ( 5.507 -2.304 -0.092) 5.970 7.264 ( 3.153 3.346 -3.799) 5.964 8.002 ( -4.511 -9.163 6.248) 11.972 8.640 ( -9.332 -4.156 -5.618) 11.659 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 2.391 1.020 -2.795) 3.817 2.970 ( -0.792 14.883 1.277) 14.958 3.806 ( 4.332 -2.785 -1.953) 5.508 5.770 ( 3.177 15.667 -0.576) 15.996 6.321 ( -10.424 3.311 -2.566) 11.234 6.593 ( 3.201 0.205 -1.339) 3.476 6.838 ( 2.105 4.063 2.691) 5.308 6.860 ( -3.147 4.753 -3.883) 6.898 7.165 ( 12.824 -2.765 3.902) 13.686 7.329 ( -0.297 6.806 -6.569) 9.464 7.800 ( -8.732 -6.949 3.609) 11.728 8.539 ( 2.039 -5.602 0.199) 5.965 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.577 0.675 -1.924) 2.577 3.062 ( -6.016 13.285 2.709) 14.833 3.786 ( 0.433 -6.037 -4.484) 7.533 5.890 ( -9.341 12.987 -2.181) 16.145 6.240 ( 0.768 6.208 0.054) 6.256 6.601 ( -2.468 -0.259 -1.296) 2.799 6.837 ( 3.876 -3.675 -1.099) 5.453 6.966 ( 1.326 8.683 2.199) 9.055 7.232 ( -7.230 3.496 -2.058) 8.290 7.434 ( 8.541 1.254 -1.417) 8.748 7.656 ( -2.509 -3.940 5.263) 7.036 8.550 ( 6.624 -7.478 1.351) 10.081 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.131 0.168 -1.367) 1.383 3.030 ( -12.306 9.202 2.696) 15.601 3.698 ( -1.036 -5.673 -4.459) 7.289 5.743 ( -13.771 4.737 -0.717) 14.580 6.417 ( 4.912 11.943 -0.866) 12.943 6.515 ( -5.747 -0.327 -0.045) 5.757 6.874 ( 5.140 -5.915 0.153) 7.838 7.035 ( -3.248 0.877 -2.300) 4.075 7.128 ( -7.744 11.261 2.473) 13.889 7.460 ( -3.362 -2.655 -3.235) 5.368 7.675 ( 4.482 -2.956 3.762) 6.556 8.669 ( 14.739 -5.933 2.850) 16.142 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -3.370 -0.200 -1.035) 3.531 2.835 ( -17.314 2.975 0.763) 17.585 3.616 ( -3.070 -1.977 -1.667) 4.014 5.540 ( -12.717 1.258 0.056) 12.779 6.406 ( -6.598 0.557 0.678) 6.656 6.523 ( -6.130 5.175 -0.410) 8.033 6.900 ( -6.718 0.914 -1.613) 6.969 6.939 ( 7.364 -1.924 -1.480) 7.754 7.148 ( -8.239 8.657 2.500) 12.210 7.317 ( -2.311 -6.607 -4.657) 8.407 7.754 ( 5.947 -0.379 2.254) 6.371 8.941 ( 19.709 -4.146 1.725) 20.214 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -7.643 0.654 -0.305) 7.677 2.518 ( -19.824 -0.536 -0.353) 19.834 3.510 ( -9.096 1.161 -0.206) 9.172 5.328 ( -12.276 -0.062 0.365) 12.282 6.284 ( -13.634 0.828 -1.418) 13.733 6.334 ( -9.741 -1.495 2.992) 10.299 6.774 ( -7.149 1.398 -2.100) 7.581 6.981 ( -10.042 -1.605 -1.056) 10.224 7.129 ( 10.289 0.827 -2.096) 10.533 7.307 ( 3.695 2.170 -1.404) 4.509 7.893 ( 8.394 0.548 2.909) 8.901 9.237 ( 18.872 -4.806 -3.221) 19.739 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -11.612 3.298 1.110) 12.123 2.154 ( -20.928 -0.059 0.072) 20.928 3.299 ( -18.108 4.049 -0.780) 18.572 5.121 ( -11.416 0.149 0.659) 11.436 5.941 ( -21.263 0.822 0.869) 21.297 6.263 ( -2.456 0.884 2.983) 3.964 6.657 ( -6.235 -0.730 -1.302) 6.411 6.816 ( -6.025 -1.432 -1.544) 6.382 7.206 ( -1.731 3.352 -2.276) 4.406 7.500 ( 15.312 0.110 -1.266) 15.365 8.066 ( 9.569 -0.239 4.414) 10.541 9.459 ( 15.872 -7.006 -9.431) 19.747 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.000 9.182 2.095) 9.418 1.924 ( -0.000 18.811 2.255) 18.946 3.148 ( -0.000 18.870 -4.005) 19.290 5.035 ( -0.000 7.020 0.616) 7.047 5.924 ( -0.000 23.249 6.224) 24.067 6.020 ( -0.000 6.326 -0.816) 6.378 6.462 ( -0.000 1.537 1.755) 2.333 6.882 ( -0.000 1.254 -0.437) 1.328 6.987 ( 0.000 2.417 -8.210) 8.558 7.403 ( 0.000 -11.128 -3.839) 11.772 8.233 ( 0.000 -15.166 4.477) 15.814 9.828 ( 0.000 -9.415 -8.487) 12.676 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.329 6.424 -0.544) 6.583 2.182 ( 7.633 16.746 1.510) 18.465 3.314 ( 1.949 13.355 -3.461) 13.933 5.147 ( 4.344 7.268 -0.070) 8.467 6.082 ( 1.178 12.761 1.907) 12.956 6.268 ( 8.646 12.684 4.144) 15.900 6.495 ( 1.467 3.039 1.250) 3.598 6.887 ( -0.084 0.345 -1.713) 1.750 6.958 ( 0.042 -1.680 -8.808) 8.966 7.295 ( -1.253 -5.539 -1.535) 5.883 8.106 ( -0.693 -11.038 3.875) 11.719 9.600 ( -10.706 -9.692 -9.665) 17.377 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.065 3.712 -2.522) 4.940 2.511 ( 10.499 15.097 0.526) 18.397 3.464 ( 4.235 7.760 -1.091) 8.908 5.324 ( 7.116 7.747 -0.236) 10.522 6.268 ( 5.374 9.821 0.148) 11.197 6.449 ( 2.675 3.039 2.568) 4.794 6.641 ( 6.517 7.572 1.338) 10.080 6.834 ( 0.113 -7.054 -7.799) 10.517 6.963 ( 2.796 4.778 -3.207) 6.398 7.235 ( -3.186 1.351 -0.403) 3.485 8.025 ( -0.027 -7.262 5.095) 8.871 9.219 ( -17.122 -8.913 -9.686) 21.597 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 2.476 1.942 -3.063) 4.392 2.831 ( 8.722 14.419 -0.428) 16.857 3.606 ( 5.726 2.382 1.132) 6.305 5.545 ( 8.411 9.445 0.091) 12.648 6.403 ( 4.008 1.250 -4.093) 5.863 6.556 ( 2.414 5.457 4.471) 7.456 6.739 ( 4.281 -7.053 -4.829) 9.560 6.797 ( 2.078 5.497 -1.223) 6.003 7.086 ( -0.881 10.663 -3.893) 11.385 7.213 ( 1.400 2.155 -0.247) 2.582 7.976 ( -0.910 -6.751 5.472) 8.738 8.805 ( -16.121 -6.559 -6.806) 18.687 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 2.554 1.201 -2.435) 3.728 3.091 ( 4.601 14.155 -0.308) 14.887 3.701 ( 4.290 -2.686 1.040) 5.168 5.808 ( 8.679 12.694 0.298) 15.380 6.445 ( 2.197 -0.960 -3.423) 4.179 6.548 ( -3.461 -1.146 -1.775) 4.055 6.861 ( 7.428 0.038 -1.822) 7.649 6.877 ( 4.582 3.737 5.635) 8.168 7.041 ( -7.321 6.414 -4.269) 10.628 7.350 ( 5.189 7.065 -3.847) 9.573 7.861 ( -5.325 -8.149 3.525) 10.353 8.531 ( -7.062 -4.319 -1.208) 8.365 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 2.203 0.950 -1.526) 2.843 3.270 ( -0.601 13.631 1.234) 13.700 3.698 ( 1.056 -6.857 -1.239) 7.048 6.083 ( 5.038 15.264 -0.731) 16.090 6.356 ( -9.608 1.843 -1.642) 9.919 6.546 ( 5.746 -4.277 -0.349) 7.172 6.800 ( -5.430 -1.932 -1.457) 5.945 7.035 ( -0.100 6.596 -0.963) 6.667 7.143 ( 15.932 -1.581 3.958) 16.492 7.430 ( -3.252 7.215 -5.196) 9.468 7.709 ( -4.545 -4.616 3.037) 7.155 8.426 ( -0.186 -5.618 1.040) 5.717 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.210 0.703 -0.984) 1.711 3.319 ( -9.030 8.297 1.989) 12.423 3.630 ( 1.166 -5.276 -2.353) 5.894 6.052 ( -16.209 4.199 -0.717) 16.760 6.416 ( 7.177 10.679 -1.451) 12.949 6.583 ( 0.387 -1.309 0.366) 1.413 6.716 ( 1.871 -6.866 0.614) 7.142 7.077 ( -0.536 2.412 -2.134) 3.265 7.367 ( -7.073 6.474 0.750) 9.618 7.395 ( 9.819 -2.211 -0.588) 10.082 7.625 ( -2.727 -2.050 1.515) 3.733 8.425 ( 6.730 -4.802 0.996) 8.327 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -0.639 0.588 -0.820) 1.194 3.128 ( -14.797 -2.102 -0.715) 14.962 3.640 ( 0.220 2.895 0.893) 3.038 5.792 ( -15.230 0.421 0.198) 15.237 6.515 ( -4.546 0.335 1.321) 4.746 6.614 ( 0.834 2.649 -2.221) 3.556 6.736 ( 8.428 -2.701 0.837) 8.890 7.032 ( -5.475 1.403 -2.668) 6.250 7.272 ( -3.384 -6.776 -4.997) 9.074 7.406 ( -8.815 6.617 2.070) 11.215 7.656 ( 6.401 -1.305 3.001) 7.189 8.590 ( 15.275 -2.167 -0.702) 15.444 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -3.257 1.238 -0.632) 3.542 2.809 ( -16.484 -4.813 -1.405) 17.230 3.660 ( -4.189 5.730 2.108) 7.405 5.542 ( -12.963 -1.222 0.266) 13.023 6.422 ( -6.499 0.001 1.870) 6.763 6.511 ( -7.490 -5.916 -1.264) 9.628 6.878 ( -1.049 -0.722 -3.243) 3.484 6.964 ( 3.124 4.429 0.586) 5.451 7.069 ( -5.806 -8.932 -4.259) 11.473 7.363 ( -4.173 6.025 -0.808) 7.374 7.785 ( 6.815 0.849 4.970) 8.477 8.854 ( 17.533 -2.371 -5.784) 18.614 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -6.136 3.020 -0.228) 6.842 2.469 ( -16.944 -3.195 -0.771) 17.260 3.605 ( -10.731 7.341 1.040) 13.043 5.319 ( -11.292 -1.070 0.081) 11.343 6.255 ( -13.738 -2.285 -1.635) 14.023 6.333 ( -4.874 -1.480 3.785) 6.346 6.741 ( -6.688 -3.484 -1.305) 7.653 6.902 ( -5.319 -1.173 -3.101) 6.268 7.144 ( 8.836 0.719 -0.128) 8.867 7.371 ( 1.065 3.140 -2.341) 4.059 7.941 ( 7.483 0.664 6.481) 9.922 9.076 ( 15.388 -4.679 -12.463) 20.348 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -0.000 4.548 -2.030) 4.981 2.273 ( -0.000 14.380 1.198) 14.430 3.401 ( -0.000 9.343 -3.230) 9.885 5.172 ( -0.000 6.599 -1.006) 6.676 6.185 ( -0.000 8.651 3.887) 9.484 6.328 ( -0.000 9.310 2.100) 9.544 6.525 ( -0.000 4.198 3.264) 5.318 6.867 ( 0.000 -7.358 -9.209) 11.788 6.890 ( 0.000 0.422 -2.822) 2.854 7.306 ( -0.000 5.464 0.089) 5.465 8.032 ( 0.000 -6.802 2.940) 7.410 9.550 ( 0.000 -11.553 -10.118) 15.358 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.718 2.596 -2.820) 3.900 2.481 ( 7.865 11.979 0.521) 14.340 3.478 ( 1.574 5.250 -1.356) 5.646 5.277 ( 5.113 6.106 -1.194) 8.053 6.293 ( 0.947 6.170 2.384) 6.682 6.422 ( 4.356 2.207 1.381) 5.075 6.611 ( 3.704 2.757 3.496) 5.791 6.754 ( -0.771 -4.680 -8.068) 9.359 6.906 ( 3.277 -0.201 -3.537) 4.826 7.375 ( -3.313 11.766 0.503) 12.234 7.997 ( -0.530 -1.772 3.688) 4.126 9.309 ( -9.005 -12.119 -9.954) 18.084 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 1.573 1.481 -2.492) 3.298 2.771 ( 11.741 10.521 -0.508) 15.774 3.554 ( 3.167 1.566 1.121) 3.707 5.462 ( 9.336 6.326 -0.741) 11.301 6.326 ( 1.834 -2.717 -2.151) 3.921 6.558 ( 4.670 4.405 5.476) 8.438 6.638 ( -0.082 -2.923 -5.794) 6.490 6.775 ( 4.859 3.732 -0.596) 6.156 7.002 ( 9.354 0.786 -1.879) 9.573 7.400 ( -7.602 11.218 -0.515) 13.561 7.987 ( -2.819 0.949 3.717) 4.761 8.957 ( -13.100 -10.437 -7.678) 18.426 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 2.254 1.143 -1.450) 2.914 3.074 ( 11.005 9.882 -1.393) 14.856 3.617 ( 3.097 -2.128 2.485) 4.505 5.726 ( 12.643 7.959 0.222) 14.941 6.321 ( 3.645 -5.160 -2.197) 6.689 6.583 ( -1.922 -0.721 -3.590) 4.135 6.699 ( 6.971 0.951 3.164) 7.715 6.892 ( 3.361 3.844 1.131) 5.230 7.219 ( 11.064 4.461 -3.362) 12.395 7.328 ( -10.414 8.035 -0.584) 13.166 7.904 ( -7.099 -2.805 1.458) 7.771 8.642 ( -10.490 -5.536 -2.855) 12.200 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.394 1.030 -0.446) 2.644 3.332 ( 7.868 9.489 -1.161) 12.381 3.617 ( 0.142 -5.946 1.716) 6.191 6.050 ( 13.339 9.856 0.490) 16.593 6.340 ( 5.736 -6.511 -0.651) 8.701 6.521 ( -4.823 0.629 -0.713) 4.916 6.846 ( 7.739 -0.172 -3.306) 8.417 6.956 ( 0.022 0.182 4.876) 4.879 7.165 ( -9.890 6.183 -0.902) 11.699 7.461 ( 7.530 6.158 -3.728) 10.418 7.735 ( -5.975 -6.006 1.767) 8.654 8.455 ( -6.668 -2.424 -0.090) 7.096 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.905 0.824 -0.001) 2.076 3.503 ( -6.087 -5.213 0.034) 8.015 3.533 ( 6.027 5.057 -0.039) 7.868 6.331 ( -7.053 2.706 0.579) 7.577 6.361 ( 12.008 -0.495 -0.688) 12.038 6.429 ( -0.107 -1.062 0.285) 1.105 6.787 ( -7.861 1.121 0.457) 7.954 7.051 ( 5.992 -0.644 -4.952) 7.800 7.184 ( 7.341 -0.026 5.912) 9.426 7.519 ( -5.991 3.956 -3.016) 7.786 7.649 ( 0.571 -3.239 1.439) 3.590 8.357 ( -1.734 -0.812 -0.011) 1.914 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.889 0.662 -0.106) 1.113 3.276 ( -9.493 -10.175 -1.637) 14.011 3.681 ( 2.296 7.969 1.971) 8.524 6.073 ( -16.782 -2.373 1.017) 16.979 6.433 ( 7.335 -11.678 -0.213) 13.792 6.569 ( 2.979 4.795 -1.140) 5.759 6.733 ( -1.645 5.548 2.928) 6.485 7.064 ( 0.449 -2.255 -3.479) 4.170 7.280 ( -3.199 -2.957 -3.694) 5.711 7.493 ( 6.371 0.073 4.768) 7.958 7.593 ( -4.679 -0.936 -1.290) 4.943 8.407 ( 6.078 3.171 -0.518) 6.874 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.486 0.908 -0.457) 1.127 2.977 ( -11.923 -9.700 -1.787) 15.474 3.786 ( -0.702 8.124 3.081) 8.717 5.762 ( -14.930 -4.076 0.845) 15.499 6.409 ( 4.185 -12.684 -1.750) 13.471 6.549 ( -5.994 -0.111 2.608) 6.537 6.840 ( 3.561 5.539 -1.741) 6.812 7.005 ( -0.908 -7.142 -4.275) 8.373 7.112 ( -9.036 1.822 0.227) 9.221 7.484 ( -5.699 0.053 -2.029) 6.050 7.666 ( 9.669 -1.030 3.270) 10.259 8.595 ( 10.519 4.405 -3.347) 11.886 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -2.058 1.772 -0.874) 2.852 2.672 ( -12.530 -6.670 -1.083) 14.236 3.833 ( -5.187 8.641 2.622) 10.414 5.490 ( -11.402 -4.127 -0.087) 12.127 6.315 ( -0.743 -9.722 -2.825) 10.151 6.418 ( -6.737 -3.964 3.267) 8.472 6.812 ( -6.096 -2.417 -2.933) 7.184 6.939 ( -0.472 0.075 -3.897) 3.927 7.092 ( 0.019 5.376 4.132) 6.781 7.391 ( -2.768 -0.843 -4.298) 5.181 7.829 ( 8.894 -1.499 4.947) 10.287 8.793 ( 9.971 2.256 -8.881) 13.542 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.000 1.422 -2.592) 2.956 2.512 ( -0.000 8.699 0.314) 8.705 3.500 ( -0.000 2.503 -0.433) 2.540 5.280 ( -0.000 4.856 -1.324) 5.033 6.338 ( 0.000 -4.601 -1.640) 4.885 6.407 ( -0.000 9.228 5.583) 10.785 6.600 ( -0.000 -0.335 1.207) 1.253 6.707 ( 0.000 -1.227 -4.072) 4.253 6.850 ( 0.000 -1.856 -4.294) 4.678 7.529 ( -0.000 10.844 -0.122) 10.845 8.045 ( -0.000 7.339 4.303) 8.507 9.215 ( 0.000 -14.273 -9.926) 17.385 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.777 0.978 -1.392) 1.870 2.665 ( 8.707 6.213 -0.333) 10.701 3.529 ( 1.473 0.505 1.336) 2.052 5.371 ( 5.909 3.868 -0.975) 7.130 6.275 ( -0.331 -3.985 -1.837) 4.400 6.550 ( 2.844 4.657 4.203) 6.888 6.610 ( 0.977 1.716 -2.956) 3.555 6.722 ( 3.804 1.115 2.018) 4.448 6.852 ( 4.962 -2.748 -3.180) 6.503 7.580 ( -3.015 5.679 -1.236) 6.547 8.138 ( -4.408 12.580 3.480) 13.777 8.976 ( -6.230 -13.514 -7.955) 16.874 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 1.626 1.068 0.117) 1.949 2.916 ( 13.531 4.253 -1.227) 14.236 3.567 ( 2.035 -1.012 2.724) 3.547 5.558 ( 11.682 3.041 -0.127) 12.072 6.240 ( 0.744 -2.183 -1.652) 2.837 6.589 ( 0.097 1.244 -2.288) 2.606 6.645 ( 1.665 0.021 3.386) 3.773 6.858 ( 4.686 3.273 1.917) 6.029 6.984 ( 14.155 -0.908 -1.136) 14.230 7.542 ( -5.824 3.256 -1.393) 6.816 8.100 ( -12.171 5.657 -0.903) 13.452 8.729 ( -7.237 -5.831 -2.736) 9.688 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 2.098 1.031 1.177) 2.617 3.183 ( 13.564 1.138 -1.438) 13.688 3.587 ( 0.474 -1.689 2.327) 2.914 5.823 ( 15.896 -0.226 0.539) 15.906 6.252 ( 2.021 1.382 -0.343) 2.472 6.588 ( -1.661 2.026 0.058) 2.620 6.704 ( 5.227 -1.400 0.837) 5.475 6.949 ( 2.943 -0.218 3.259) 4.397 7.249 ( 14.562 1.078 -3.030) 14.913 7.426 ( -9.311 0.749 0.695) 9.367 7.872 ( -12.879 -0.705 -2.458) 13.131 8.578 ( -8.199 1.174 0.022) 8.282 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 2.039 0.739 1.468) 2.618 3.350 ( 7.516 -8.618 0.317) 11.440 3.591 ( 0.536 4.221 -0.399) 4.273 6.043 ( 13.495 -10.169 -0.125) 16.898 6.363 ( 4.952 8.289 1.418) 9.759 6.558 ( -5.466 1.818 2.224) 6.174 6.799 ( 6.764 -1.082 -5.283) 8.651 6.967 ( -0.457 -2.144 4.211) 4.747 7.220 ( -7.811 -2.192 3.684) 8.910 7.504 ( 10.970 -1.834 -0.382) 11.129 7.683 ( -8.903 2.390 -2.433) 9.534 8.451 ( -7.774 2.668 -0.433) 8.231 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.525 0.488 1.118) 1.953 3.256 ( -2.969 -13.939 0.078) 14.251 3.708 ( 4.347 7.265 -0.389) 8.476 6.089 ( 6.754 -15.417 -0.290) 16.834 6.403 ( -12.190 -0.414 2.239) 12.401 6.549 ( 4.727 6.053 0.330) 7.687 6.814 ( -0.660 0.920 -2.189) 2.465 6.996 ( 1.635 -2.299 0.116) 2.823 7.184 ( 6.147 -4.043 4.875) 8.826 7.527 ( -4.468 -3.687 2.934) 6.493 7.622 ( -1.623 3.288 -4.489) 5.796 8.407 ( -0.705 5.697 -0.544) 5.766 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.732 0.519 0.425) 0.992 3.023 ( -7.137 -12.975 -0.650) 14.822 3.851 ( 3.370 7.041 1.056) 7.877 5.927 ( -8.338 -13.253 0.705) 15.674 6.238 ( -2.090 -5.862 -0.069) 6.223 6.625 ( -1.151 -0.428 0.452) 1.309 6.838 ( 1.452 3.060 0.143) 3.390 6.934 ( -1.190 -6.132 -0.940) 6.317 7.255 ( -0.948 -0.287 0.353) 1.052 7.496 ( 5.182 -1.251 2.990) 6.112 7.556 ( -5.264 -0.313 -3.369) 6.258 8.526 ( 5.233 8.155 -0.449) 9.700 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.145 0.816 -0.452) 0.943 2.768 ( -8.269 -9.488 -0.481) 12.595 3.966 ( 0.538 7.461 1.421) 7.615 5.627 ( -11.187 -9.659 0.306) 14.783 6.168 ( 2.025 -8.586 -1.584) 8.963 6.496 ( -6.978 -7.600 1.380) 10.409 6.871 ( -2.435 -0.178 -1.465) 2.848 6.910 ( 2.881 2.782 -2.096) 4.520 7.215 ( -4.045 3.395 4.024) 6.639 7.429 ( -5.765 -2.377 -3.475) 7.139 7.632 ( 10.138 -2.904 0.622) 10.564 8.701 ( 5.258 7.322 -2.243) 9.289 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.000 0.978 0.301) 1.023 2.627 ( -0.000 2.834 -0.449) 2.869 3.525 ( -0.000 -0.032 2.408) 2.408 5.345 ( -0.000 2.181 -0.687) 2.287 6.237 ( 0.000 -2.224 -2.029) 3.010 6.591 ( -0.000 3.588 1.199) 3.783 6.613 ( -0.000 2.661 -0.788) 2.775 6.690 ( -0.000 -1.843 3.752) 4.180 6.775 ( 0.000 -1.109 -1.165) 1.609 7.631 ( 0.000 1.768 -1.996) 2.667 8.339 ( -0.000 12.916 0.640) 12.932 8.870 ( 0.000 -10.657 -5.119) 11.822 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.791 1.192 1.958) 2.425 2.724 ( 9.289 0.081 -0.960) 9.339 3.545 ( 1.051 -0.252 3.517) 3.680 5.414 ( 6.392 0.612 -0.051) 6.422 6.223 ( 0.043 0.871 -1.610) 1.831 6.578 ( 0.468 -2.189 -1.702) 2.812 6.660 ( -0.261 2.718 2.323) 3.585 6.748 ( 8.522 -3.798 0.757) 9.361 6.829 ( 3.653 4.150 3.800) 6.709 7.615 ( -2.127 0.439 -2.244) 3.123 8.303 ( -7.838 -4.492 -6.192) 10.953 8.806 ( -3.878 6.139 1.934) 7.514 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 1.386 0.880 2.835) 3.276 2.916 ( 13.986 -3.416 -1.282) 14.454 3.573 ( 0.947 -0.530 3.235) 3.413 5.567 ( 11.362 -2.400 0.638) 11.630 6.253 ( 1.464 4.046 -0.532) 4.335 6.573 ( 2.492 -2.746 -2.564) 4.508 6.689 ( -0.819 2.401 6.116) 6.622 6.864 ( 7.468 -3.697 2.194) 8.617 7.000 ( 10.914 2.368 0.315) 11.172 7.540 ( -5.249 -2.373 -1.560) 5.968 8.038 ( -9.820 -7.688 -5.833) 13.768 8.795 ( -9.707 10.783 2.517) 14.725 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 1.785 0.199 2.829) 3.351 3.088 ( 11.934 -9.238 -0.277) 15.095 3.596 ( 1.390 0.780 0.771) 1.771 5.727 ( 11.726 -8.051 0.282) 14.227 6.369 ( 4.636 7.542 1.910) 9.057 6.583 ( 3.118 -3.019 -3.633) 5.660 6.730 ( -0.129 2.714 6.302) 6.863 6.927 ( 2.789 -4.180 3.388) 6.060 7.226 ( 12.674 -0.959 -2.357) 12.927 7.364 ( -7.455 -7.901 2.539) 11.155 7.835 ( -6.601 0.410 -4.491) 7.995 8.694 ( -13.458 8.967 1.450) 16.236 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 1.897 -0.219 2.240) 2.944 3.106 ( 3.787 -14.767 1.013) 15.279 3.670 ( 5.198 3.185 -1.602) 6.303 5.799 ( 8.631 -12.703 -0.421) 15.364 6.524 ( 3.506 3.618 2.842) 5.784 6.569 ( -2.673 -3.101 0.146) 4.097 6.770 ( 0.490 2.974 -2.819) 4.127 6.942 ( 4.492 -3.012 4.543) 7.063 7.150 ( -6.013 -7.403 5.490) 11.005 7.413 ( 8.877 -5.892 1.507) 10.760 7.759 ( -5.081 6.616 -5.365) 9.918 8.563 ( -10.146 7.986 1.540) 13.004 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 1.560 -0.103 1.405) 2.102 2.963 ( -2.131 -15.115 0.757) 15.283 3.812 ( 7.098 3.718 -1.511) 8.154 5.770 ( 4.152 -15.268 -0.579) 15.833 6.384 ( -12.588 -3.258 2.692) 13.279 6.578 ( 2.708 -3.955 -2.377) 5.351 6.825 ( 2.692 2.380 0.925) 3.711 6.955 ( -5.074 -4.308 4.621) 8.103 7.116 ( 8.899 -3.058 -0.596) 9.428 7.449 ( 1.896 -5.525 4.116) 7.145 7.710 ( -7.546 7.632 -4.389) 11.595 8.562 ( -0.371 8.838 2.391) 9.163 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.000 1.161 3.482) 3.670 2.621 ( 0.000 -2.951 -1.025) 3.124 3.551 ( -0.000 -0.004 4.667) 4.667 5.356 ( 0.000 -0.956 0.293) 1.000 6.242 ( -0.000 3.772 -1.485) 4.054 6.496 ( 0.000 -7.451 -5.778) 9.429 6.654 ( -0.000 -2.335 3.243) 3.996 6.718 ( -0.000 3.784 5.541) 6.710 6.853 ( -0.000 3.960 4.410) 5.927 7.622 ( 0.000 -0.909 -2.765) 2.911 8.223 ( 0.000 -15.117 -8.548) 17.367 8.987 ( -0.000 16.432 4.219) 16.965 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.463 0.184 4.000) 4.031 2.655 ( 9.000 -6.129 -1.235) 10.959 3.570 ( 0.345 -0.807 4.839) 4.918 5.392 ( 5.835 -3.060 0.816) 6.639 6.274 ( 0.038 3.845 -1.654) 4.186 6.456 ( 4.935 -5.630 -4.038) 8.507 6.677 ( 5.141 -4.490 3.129) 7.509 6.776 ( -0.627 4.732 6.270) 7.880 6.931 ( 3.212 2.416 3.555) 5.366 7.564 ( -2.693 -5.175 -2.574) 6.377 8.019 ( -3.163 -11.011 -6.661) 13.252 9.108 ( -7.414 16.250 3.208) 18.147 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 1.206 -1.323 3.510) 3.940 2.767 ( 12.598 -10.309 -0.928) 16.305 3.577 ( 0.667 -2.004 3.106) 3.756 5.480 ( 8.552 -6.457 0.690) 10.738 6.341 ( 5.297 1.970 -0.664) 5.691 6.476 ( 2.808 -3.095 -2.121) 4.686 6.754 ( 5.897 -3.778 4.389) 8.265 6.845 ( 1.677 2.515 5.255) 6.063 7.035 ( 6.411 0.398 0.926) 6.489 7.400 ( -5.815 -10.165 -0.060) 11.710 7.886 ( -2.723 -0.796 -5.029) 5.774 9.074 ( -14.496 13.592 2.342) 20.009 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 2.259 -2.182 2.577) 4.063 2.840 ( 9.521 -14.805 0.239) 17.604 3.595 ( 3.613 -1.883 0.202) 4.080 5.543 ( 7.705 -9.906 -0.137) 12.551 6.451 ( 6.365 -6.059 -2.722) 9.200 6.492 ( 3.359 -0.496 1.898) 3.890 6.829 ( 5.392 -4.246 3.802) 7.846 6.881 ( -3.556 5.062 4.274) 7.519 7.161 ( 5.506 -9.717 2.145) 11.373 7.224 ( -0.725 -1.159 1.859) 2.308 7.850 ( -2.098 4.797 -5.602) 7.667 8.922 ( -17.182 11.320 3.360) 20.848 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.928 -1.896 1.650) 3.859 2.795 ( 3.637 -16.543 1.085) 16.972 3.682 ( 8.203 -0.961 -1.681) 8.429 5.546 ( 5.403 -11.938 -0.370) 13.109 6.443 ( 2.128 -7.048 -1.499) 7.513 6.498 ( -0.488 -7.368 0.718) 7.418 6.834 ( -0.100 -2.128 4.554) 5.028 6.964 ( 2.963 4.928 0.938) 5.826 7.025 ( -3.818 -6.818 3.293) 8.480 7.343 ( 6.403 -1.911 2.753) 7.227 7.851 ( -2.558 6.922 -6.734) 9.991 8.784 ( -11.876 10.649 6.727) 17.312 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -0.000 -1.580 4.338) 4.616 2.494 ( 0.000 -8.854 -1.281) 8.947 3.573 ( -0.000 -2.453 5.764) 6.265 5.308 ( 0.000 -4.415 0.997) 4.526 6.291 ( 0.000 -8.093 -4.560) 9.290 6.330 ( -0.000 4.159 -2.227) 4.718 6.605 ( 0.000 -4.459 2.844) 5.289 6.863 ( -0.000 5.038 7.733) 9.229 6.931 ( -0.000 0.815 2.917) 3.029 7.502 ( 0.000 -9.995 -2.155) 10.225 7.940 ( 0.000 -3.857 -4.935) 6.264 9.353 ( -0.000 16.285 2.103) 16.420 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.382 -4.088 3.536) 5.419 2.462 ( 8.317 -12.092 -1.088) 14.716 3.553 ( -0.112 -5.322 4.910) 7.242 5.301 ( 4.721 -6.580 0.798) 8.138 6.227 ( 3.285 -5.944 -2.467) 7.226 6.387 ( 4.877 -2.582 -3.066) 6.313 6.597 ( 3.995 -5.467 2.256) 7.137 6.907 ( -1.326 2.586 4.430) 5.298 6.989 ( 2.559 2.532 4.277) 5.590 7.372 ( -2.591 -8.949 0.871) 9.357 7.914 ( -1.233 3.398 -3.684) 5.161 9.435 ( -8.980 14.385 1.059) 16.991 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 2.196 -5.739 2.113) 6.498 2.500 ( 11.259 -15.434 -0.445) 19.110 3.509 ( 1.619 -7.544 2.611) 8.145 5.325 ( 6.377 -8.963 -0.135) 11.001 6.248 ( 7.106 -8.410 -0.646) 11.029 6.401 ( 3.650 -6.998 -2.863) 8.396 6.659 ( 8.279 -6.164 2.823) 10.700 6.939 ( 2.832 -0.265 1.823) 3.378 7.063 ( -0.491 3.515 4.880) 6.034 7.271 ( -3.233 -0.885 3.219) 4.647 7.924 ( -2.191 6.774 -3.927) 8.131 9.351 ( -15.866 12.238 1.893) 20.127 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 4.520 -5.512 0.902) 7.185 2.514 ( 8.962 -17.463 0.367) 19.631 3.507 ( 6.786 -7.349 0.391) 10.010 5.333 ( 5.938 -10.477 -0.619) 12.058 6.273 ( 7.414 -12.434 0.595) 14.489 6.369 ( 2.835 -7.413 -3.369) 8.622 6.742 ( 5.512 -5.253 3.572) 8.411 6.965 ( 1.861 -9.300 1.721) 9.639 7.093 ( -2.365 8.705 4.365) 10.021 7.287 ( 0.620 5.384 2.001) 5.777 7.938 ( -2.679 7.647 -5.239) 9.649 9.185 ( -16.910 11.177 6.207) 21.199 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 -7.516 3.138) 8.145 2.246 ( 0.000 -14.735 -1.107) 14.777 3.498 ( 0.000 -9.848 4.892) 10.996 5.191 ( 0.000 -7.675 0.539) 7.694 6.135 ( 0.000 -5.043 -0.605) 5.079 6.231 ( 0.000 -13.501 -5.605) 14.619 6.531 ( 0.000 -4.293 2.409) 4.923 6.930 ( 0.000 -2.070 0.801) 2.219 7.043 ( -0.000 7.770 6.338) 10.027 7.338 ( 0.000 -2.996 3.187) 4.375 7.970 ( -0.000 7.393 -2.575) 7.828 9.658 ( -0.000 13.439 -0.773) 13.461 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.135 -10.233 1.640) 10.425 2.158 ( 8.145 -17.285 -0.529) 19.115 3.393 ( 0.706 -14.305 3.151) 14.665 5.144 ( 3.760 -8.945 -0.306) 9.708 6.042 ( 2.701 -15.804 -2.139) 16.176 6.192 ( 7.967 -7.221 -1.750) 10.894 6.518 ( 2.954 -4.212 2.527) 5.732 6.902 ( -0.145 -2.799 -0.262) 2.815 7.131 ( 0.229 2.346 6.421) 6.840 7.356 ( -1.588 7.760 3.948) 8.851 8.032 ( -1.850 9.591 -2.726) 10.141 9.698 ( -9.195 11.819 -1.175) 15.021 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 4.930 -10.564 -0.139) 11.659 2.151 ( 11.194 -18.757 -0.049) 21.844 3.291 ( 5.302 -15.932 1.438) 16.852 5.127 ( 5.308 -9.895 -0.990) 11.273 5.956 ( 8.787 -19.410 -1.371) 21.351 6.246 ( 4.317 -3.642 -2.074) 6.017 6.587 ( 7.583 -4.014 4.114) 9.515 6.867 ( 0.464 -5.012 -0.806) 5.098 7.153 ( 0.765 -1.294 5.213) 5.425 7.447 ( -3.874 14.454 3.522) 15.373 8.069 ( -3.866 9.747 -3.770) 11.143 9.594 ( -14.682 10.466 2.089) 18.151 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 0.000 -14.102 1.448) 14.177 1.891 ( 0.000 -19.734 -0.539) 19.741 3.213 ( 0.000 -21.373 1.513) 21.427 5.019 ( 0.000 -8.845 -0.717) 8.874 5.800 ( 0.000 -22.201 -4.598) 22.672 6.085 ( -0.000 -1.670 4.723) 5.009 6.459 ( 0.000 -4.236 1.149) 4.390 6.871 ( 0.000 -3.226 -1.513) 3.563 7.143 ( -0.000 -3.420 5.809) 6.741 7.510 ( -0.000 15.519 5.626) 16.507 8.146 ( -0.000 11.298 -3.249) 11.756 9.885 ( -0.000 10.867 -3.666) 11.469 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.864 -15.885 -0.345) 16.144 1.770 ( 8.923 -20.834 0.175) 22.665 3.002 ( 4.008 -25.712 -0.219) 26.024 4.955 ( 2.945 -8.770 -1.191) 9.328 5.612 ( 5.484 -21.098 -2.487) 21.940 6.141 ( 4.432 -1.216 3.810) 5.970 6.456 ( 4.281 -3.673 2.339) 6.106 6.825 ( -0.632 -3.358 -2.443) 4.200 7.119 ( 0.690 -5.613 4.667) 7.332 7.685 ( -2.295 17.516 6.767) 18.917 8.223 ( -2.852 11.278 -4.813) 12.590 9.898 ( -8.315 9.589 -2.911) 13.021 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 -19.455 0.249) 19.456 1.457 ( 0.000 -22.986 0.292) 22.988 2.653 ( 0.000 -33.471 -2.794) 33.588 4.843 ( 0.000 -7.465 -1.360) 7.588 5.348 ( 0.000 -19.597 -1.511) 19.655 6.118 ( -0.000 -0.516 8.477) 8.492 6.382 ( 0.000 -3.898 0.570) 3.939 6.793 ( 0.000 -2.360 -3.415) 4.151 7.061 ( 0.000 -7.481 3.995) 8.481 7.916 ( -0.000 17.650 9.886) 20.230 8.343 ( -0.000 11.411 -7.243) 13.515 10.046 ( -0.000 8.743 -6.055) 10.635 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( -0.000 -0.000 20.558) 20.558 0.485 ( -0.000 -0.000 20.558) 20.558 0.855 ( -0.000 -0.000 37.103) 37.103 4.639 ( -0.000 -0.000 2.369) 2.369 4.639 ( -0.000 -0.000 2.369) 2.369 6.041 ( 0.000 0.000 -7.531) 7.531 6.041 ( 0.000 0.000 -7.531) 7.531 6.811 ( -0.000 -0.000 5.169) 5.169 6.811 ( -0.000 -0.000 5.169) 5.169 8.094 ( 0.000 0.000 -14.869) 14.869 8.762 ( -0.000 -0.000 10.073) 10.073 10.876 ( -0.000 -0.000 0.625) 0.625 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 14.593 8.425 15.700) 23.031 0.790 ( 14.626 8.444 14.782) 22.444 1.270 ( 22.748 13.134 21.656) 34.044 4.656 ( 1.429 0.825 2.042) 2.625 4.777 ( 9.178 5.299 2.328) 10.850 6.110 ( 4.967 2.868 -6.319) 8.534 6.172 ( 11.607 6.701 -11.197) 17.464 6.794 ( -1.032 -0.596 4.160) 4.327 6.804 ( -1.893 -1.093 5.347) 5.777 8.065 ( -0.120 -0.070 -18.311) 18.312 8.870 ( 2.123 1.226 8.043) 8.408 10.503 ( -22.970 -13.262 9.358) 28.126 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 14.654 8.460 10.380) 19.851 1.208 ( 16.910 9.763 9.249) 21.606 1.940 ( 28.554 16.486 6.961) 33.698 4.724 ( 3.927 2.267 1.760) 4.864 5.069 ( 14.573 8.414 5.044) 17.567 6.217 ( 5.880 3.395 -5.229) 8.570 6.374 ( 7.219 4.168 -3.892) 9.200 6.761 ( -3.288 -1.898 4.600) 5.964 6.846 ( 5.617 3.243 -1.910) 6.761 7.949 ( -3.902 -2.253 -15.922) 16.547 8.833 ( -8.383 -4.840 11.817) 15.276 10.018 ( -20.251 -11.692 -0.822) 23.398 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 13.481 7.783 3.828) 16.031 1.622 ( 16.060 9.272 5.229) 19.268 2.600 ( 26.568 15.339 0.450) 30.681 4.850 ( 6.259 3.614 1.337) 7.350 5.468 ( 16.976 9.801 7.404) 20.954 6.329 ( 4.598 2.655 -3.095) 6.146 6.473 ( 2.478 1.431 0.383) 2.887 6.698 ( -2.610 -1.507 2.296) 3.789 7.021 ( 9.292 5.365 -5.365) 11.996 7.778 ( -6.485 -3.744 -11.478) 13.705 8.606 ( -13.721 -7.922 13.834) 21.033 9.545 ( -18.577 -10.726 -11.914) 24.538 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 10.426 6.019 -1.141) 12.093 1.981 ( 13.372 7.720 2.530) 15.647 3.165 ( 22.129 12.776 -1.651) 25.606 5.012 ( 7.036 4.062 0.373) 8.133 5.871 ( 14.414 8.322 7.438) 18.230 6.381 ( -0.246 -0.142 1.973) 1.993 6.522 ( 2.132 1.231 -0.508) 2.514 6.692 ( 2.579 1.489 -2.420) 3.838 7.170 ( 4.073 2.352 -6.124) 7.722 7.567 ( -8.574 -4.950 -5.589) 11.369 8.377 ( -9.095 -5.251 13.486) 17.093 9.077 ( -16.131 -9.313 -18.232) 26.065 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 6.331 3.655 -3.622) 8.159 2.258 ( 9.853 5.688 1.287) 11.449 3.610 ( 16.622 9.596 -2.565) 19.364 5.161 ( 5.566 3.214 -0.851) 6.483 6.138 ( 5.229 3.019 4.740) 7.676 6.358 ( -2.112 -1.219 5.144) 5.693 6.576 ( 3.372 1.947 -2.811) 4.802 6.783 ( 5.635 3.253 -4.444) 7.879 7.166 ( -0.853 -0.492 -5.063) 5.158 7.385 ( -5.193 -2.998 -1.576) 6.200 8.239 ( -9.738 -5.622 10.616) 15.465 8.742 ( -4.717 -2.724 -15.745) 16.660 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.103 1.792 -3.916) 5.308 2.447 ( 6.045 3.490 1.130) 7.071 3.906 ( 9.751 5.630 -5.314) 12.451 5.260 ( 3.354 1.936 -1.083) 4.021 6.136 ( -4.383 -2.531 1.419) 5.257 6.336 ( -1.571 -0.907 5.690) 5.972 6.681 ( 6.525 3.767 -4.123) 8.589 6.897 ( 5.091 2.939 -4.065) 7.147 7.163 ( 1.469 0.848 -5.131) 5.404 7.317 ( -0.725 -0.419 3.406) 3.507 7.976 ( -12.557 -7.250 4.213) 15.099 8.735 ( 4.409 2.545 -4.693) 6.924 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.700 0.982 -3.099) 3.668 2.546 ( 2.012 1.162 1.348) 2.686 4.016 ( 2.220 1.282 -9.436) 9.778 5.317 ( 1.848 1.067 -0.119) 2.137 6.061 ( -1.123 -0.648 2.297) 2.637 6.317 ( -1.992 -1.150 4.861) 5.377 6.815 ( 5.519 3.186 -4.468) 7.783 6.978 ( 2.892 1.670 -3.201) 4.626 7.144 ( -1.315 -0.759 -6.949) 7.113 7.348 ( 0.717 0.414 3.811) 3.900 7.790 ( -4.557 -2.631 10.070) 11.363 8.834 ( 4.709 2.719 -0.867) 5.506 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.878 0.507 -2.220) 2.441 2.549 ( -2.268 -1.309 1.443) 2.990 3.963 ( -3.060 -1.766 -10.540) 11.116 5.344 ( 0.141 0.081 0.747) 0.765 6.115 ( 4.215 2.434 3.663) 6.092 6.271 ( -3.130 -1.807 2.981) 4.685 6.851 ( -2.393 -1.382 -2.782) 3.922 7.005 ( 0.339 0.196 -1.888) 1.928 7.077 ( -0.707 -0.408 -8.298) 8.338 7.383 ( 1.525 0.881 5.259) 5.546 7.796 ( 0.200 0.115 7.978) 7.982 8.967 ( 6.885 3.975 4.194) 8.988 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -1.903 -1.099 -2.004) 2.974 2.448 ( -6.944 -4.009 1.129) 8.097 3.817 ( -6.523 -3.766 -7.519) 10.643 5.314 ( -3.238 -1.869 0.690) 3.802 6.204 ( -2.806 -1.620 0.340) 3.258 6.222 ( 1.648 0.952 3.887) 4.328 6.721 ( -6.224 -3.594 -2.376) 7.570 6.984 ( -1.812 -1.046 -0.187) 2.100 7.060 ( 1.252 0.723 -4.404) 4.635 7.435 ( 0.672 0.388 2.577) 2.692 7.830 ( 2.377 1.372 0.028) 2.745 9.201 ( 10.670 6.160 10.525) 16.204 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -7.252 -4.187 -2.444) 8.723 2.230 ( -12.068 -6.967 0.311) 13.938 3.592 ( -11.717 -6.765 -3.270) 13.919 5.194 ( -7.058 -4.075 0.276) 8.155 6.119 ( -12.060 -6.963 3.960) 14.478 6.158 ( -0.660 -0.381 -2.638) 2.746 6.587 ( -4.670 -2.696 -2.189) 5.819 6.924 ( -3.321 -1.917 1.317) 4.055 7.146 ( 7.231 4.175 -3.422) 9.024 7.425 ( -0.004 -0.002 -3.404) 3.404 7.937 ( 6.684 3.859 -0.420) 7.729 9.511 ( 11.747 6.782 12.260) 18.284 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -12.963 -7.484 -2.386) 15.157 1.891 ( -16.877 -9.744 -0.547) 19.495 3.221 ( -20.081 -11.594 0.020) 23.188 5.012 ( -8.078 -4.664 0.500) 9.341 5.759 ( -18.265 -10.545 2.724) 21.265 6.144 ( 0.345 0.199 -5.832) 5.845 6.476 ( -4.245 -2.451 -1.796) 5.220 6.849 ( -3.512 -2.028 2.492) 4.759 7.198 ( -3.121 -1.802 -4.117) 5.471 7.572 ( 14.547 8.399 -5.456) 17.662 8.118 ( 8.400 4.850 1.741) 9.855 9.811 ( 10.172 5.873 9.759) 15.271 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -0.000 12.371 14.035) 18.709 0.872 ( -0.000 14.070 19.578) 24.110 1.388 ( -0.000 26.264 20.562) 33.355 4.696 ( -0.000 2.747 3.531) 4.474 4.757 ( -0.000 9.630 1.598) 9.762 5.927 ( 0.000 -1.325 -9.557) 9.648 6.205 ( -0.000 11.886 -6.629) 13.610 6.793 ( -0.000 -2.382 4.195) 4.824 6.848 ( -0.000 -0.525 5.013) 5.041 7.995 ( 0.000 -0.923 -17.317) 17.341 8.898 ( -0.000 2.125 8.112) 8.386 10.584 ( 0.000 -20.171 6.495) 21.191 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 13.212 13.380 9.648) 21.134 1.144 ( 7.394 12.295 16.031) 21.514 1.837 ( 12.191 27.949 9.179) 31.843 4.734 ( 0.202 4.604 2.866) 5.427 4.972 ( 9.524 11.806 3.939) 15.672 6.014 ( 12.173 -1.217 -9.000) 15.187 6.322 ( 3.358 8.065 -3.354) 9.358 6.794 ( 0.040 0.429 1.115) 1.195 6.845 ( -1.112 0.527 3.702) 3.901 7.901 ( -1.220 -3.791 -15.888) 16.380 8.903 ( -2.507 -6.100 9.966) 11.951 10.249 ( -17.117 -14.140 1.739) 22.269 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 9.771 10.670 7.429) 16.264 1.503 ( 13.541 13.125 7.416) 20.264 2.393 ( 18.575 23.434 1.341) 29.933 4.826 ( 3.041 6.182 2.265) 7.252 5.331 ( 14.349 12.895 6.370) 20.316 6.192 ( 10.957 0.370 -6.036) 12.515 6.432 ( 3.444 2.410 -0.180) 4.207 6.768 ( -3.742 0.196 2.599) 4.560 6.915 ( 5.927 4.810 -3.784) 8.520 7.764 ( -2.917 -5.507 -12.819) 14.254 8.748 ( -8.511 -12.595 12.494) 19.677 9.776 ( -21.811 -9.119 -7.200) 24.713 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 8.985 7.864 1.429) 12.026 1.881 ( 11.786 13.111 3.577) 17.989 2.937 ( 19.711 17.423 -1.467) 26.348 4.973 ( 4.722 7.436 1.349) 8.911 5.742 ( 14.763 11.527 6.851) 19.944 6.334 ( 5.546 0.886 -1.022) 5.709 6.501 ( 3.087 1.943 -1.563) 3.968 6.718 ( -3.304 1.965 1.288) 4.054 7.066 ( 7.315 2.772 -6.630) 10.254 7.595 ( -4.759 -6.990 -8.261) 11.821 8.502 ( -8.818 -11.859 13.360) 19.922 9.270 ( -21.882 -6.979 -14.237) 27.022 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 6.905 4.932 -2.708) 8.907 2.195 ( 8.525 11.938 1.673) 14.765 3.404 ( 17.440 11.724 -2.161) 21.125 5.133 ( 4.184 7.817 -0.003) 8.867 6.082 ( 9.345 7.375 5.032) 12.925 6.397 ( 0.652 1.075 3.789) 3.992 6.564 ( 1.093 3.644 -3.064) 4.885 6.731 ( 1.876 3.994 -2.226) 4.942 7.131 ( 2.120 -0.817 -7.485) 7.822 7.414 ( -4.529 -6.635 -3.172) 8.637 8.344 ( -4.864 -8.202 13.390) 16.438 8.811 ( -15.168 -4.240 -16.412) 22.746 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.277 2.507 -4.165) 6.475 2.429 ( 4.844 10.312 1.252) 11.462 3.748 ( 12.457 6.203 -4.021) 14.485 5.266 ( 2.053 8.109 -0.917) 8.415 6.203 ( -2.348 1.458 2.046) 3.439 6.422 ( -2.753 3.742 5.707) 7.358 6.610 ( 3.286 3.597 -4.638) 6.727 6.820 ( 4.432 3.053 -3.473) 6.405 7.135 ( 2.208 1.885 -5.811) 6.496 7.315 ( -0.312 -3.562 1.073) 3.733 8.131 ( -12.750 -9.312 4.459) 16.406 8.656 ( 2.856 0.217 -5.167) 5.908 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 2.506 1.275 -3.868) 4.782 2.579 ( 0.779 8.533 1.622) 8.720 3.921 ( 5.684 0.948 -7.818) 9.712 5.363 ( -0.531 9.039 -0.887) 9.098 6.122 ( -5.283 0.197 1.460) 5.485 6.422 ( -4.688 5.138 5.576) 8.914 6.719 ( 6.389 3.240 -5.645) 9.120 6.905 ( 4.436 0.676 -2.376) 5.077 7.159 ( -1.429 2.950 -7.811) 8.471 7.344 ( 3.199 0.259 5.008) 5.948 7.875 ( -7.241 -6.788 7.131) 12.221 8.738 ( 6.313 -0.717 -1.034) 6.437 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 1.668 0.756 -3.036) 3.546 2.637 ( -3.705 6.680 2.029) 7.904 3.923 ( 0.112 -2.607 -10.344) 10.668 5.416 ( -3.322 8.082 -0.337) 8.745 6.106 ( 1.112 2.942 2.835) 4.234 6.394 ( -6.563 4.803 4.275) 9.188 6.821 ( 3.731 1.222 -4.421) 5.912 6.975 ( 3.563 0.682 -1.486) 3.920 7.080 ( -4.619 -0.155 -8.785) 9.926 7.406 ( 0.375 2.338 4.141) 4.771 7.814 ( 0.257 -3.815 11.408) 12.032 8.850 ( 8.542 -1.273 1.002) 8.694 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.016 -0.474 -2.514) 2.558 2.595 ( -8.599 4.505 1.939) 9.899 3.824 ( -2.863 -4.313 -8.982) 10.368 5.403 ( -5.489 4.374 0.211) 7.022 6.206 ( 2.701 4.446 2.130) 5.621 6.331 ( -6.606 4.591 3.024) 8.594 6.796 ( -5.610 -0.548 -2.659) 6.233 6.990 ( -1.085 -0.644 -3.313) 3.546 7.029 ( 1.929 0.766 -3.824) 4.351 7.444 ( 0.043 0.686 3.476) 3.543 7.812 ( 0.061 -2.620 4.424) 5.142 9.049 ( 13.622 0.101 6.217) 14.974 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -4.141 -2.925 -2.453) 5.632 2.437 ( -13.807 1.653 1.112) 13.949 3.671 ( -6.428 -5.618 -5.315) 10.056 5.308 ( -8.180 0.472 0.141) 8.195 6.205 ( -5.202 1.801 -0.475) 5.525 6.301 ( -7.200 2.960 4.135) 8.815 6.661 ( -6.862 0.096 -2.671) 7.364 6.954 ( -1.793 -1.264 -0.476) 2.245 7.071 ( 4.071 2.781 -2.817) 5.678 7.417 ( -1.846 -2.691 -2.171) 3.920 7.854 ( 5.403 1.005 0.897) 5.568 9.348 ( 15.905 0.820 8.842) 18.216 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -9.951 -5.176 -1.976) 11.389 2.155 ( -18.797 -1.277 0.047) 18.840 3.422 ( -13.849 -7.512 -2.080) 15.892 5.140 ( -9.961 -1.607 0.335) 10.096 6.015 ( -17.739 -5.096 2.478) 18.622 6.187 ( -5.408 3.314 -0.861) 6.400 6.548 ( -5.834 1.006 -2.822) 6.558 6.894 ( -3.248 -1.854 1.206) 3.929 7.191 ( 2.503 1.702 -4.460) 5.391 7.404 ( 7.920 2.096 -4.486) 9.340 8.008 ( 8.914 2.715 1.520) 9.441 9.653 ( 14.824 -0.176 6.929) 16.364 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.000 17.786 8.244) 19.603 1.271 ( -0.000 11.761 16.934) 20.618 2.074 ( -0.000 30.937 4.914) 31.325 4.795 ( -0.000 4.291 3.696) 5.664 5.043 ( -0.000 16.821 3.734) 17.230 5.863 ( 0.000 1.848 -8.250) 8.455 6.364 ( -0.000 6.091 0.114) 6.093 6.808 ( -0.000 3.005 -1.905) 3.558 6.866 ( -0.000 -0.759 3.610) 3.689 7.809 ( 0.000 -5.459 -14.170) 15.185 8.880 ( 0.000 -10.950 10.308) 15.039 10.257 ( 0.000 -14.133 -1.971) 14.270 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 8.117 16.409 6.056) 19.283 1.482 ( 5.964 11.132 11.765) 17.260 2.444 ( 6.669 28.082 -0.246) 28.864 4.866 ( 1.388 6.018 3.126) 6.922 5.307 ( 7.302 17.902 5.037) 19.980 5.971 ( 10.990 2.977 -6.016) 12.878 6.425 ( 0.986 2.660 2.284) 3.642 6.828 ( -1.373 2.689 -1.607) 3.420 6.880 ( 1.725 2.142 -0.995) 2.925 7.689 ( -1.099 -6.914 -11.511) 13.473 8.747 ( -3.649 -16.633 10.746) 20.136 9.984 ( -14.113 -10.086 -7.108) 18.746 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.117 8.767 4.014) 10.915 1.838 ( 11.828 15.740 4.536) 20.205 2.852 ( 11.492 21.835 -2.357) 24.786 4.992 ( 3.522 8.085 2.361) 9.129 5.663 ( 11.184 15.665 4.324) 19.727 6.205 ( 11.423 4.680 -1.843) 12.482 6.468 ( 1.579 1.009 1.421) 2.352 6.805 ( -3.086 2.307 0.141) 3.856 6.958 ( 4.841 2.518 -6.014) 8.121 7.547 ( -2.367 -8.238 -8.125) 11.811 8.526 ( -5.422 -17.059 10.829) 20.921 9.548 ( -21.403 -6.788 -11.670) 25.306 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 5.249 5.772 -1.040) 7.871 2.193 ( 9.057 15.494 2.194) 18.081 3.252 ( 13.702 14.719 -1.941) 20.203 5.156 ( 4.055 9.459 1.146) 10.355 6.010 ( 10.569 11.732 2.123) 15.933 6.392 ( 3.866 3.637 3.830) 6.545 6.541 ( 4.359 4.206 -2.715) 6.638 6.787 ( -2.428 4.431 -0.713) 5.102 7.024 ( 4.648 -1.585 -7.847) 9.257 7.387 ( -3.034 -8.570 -4.266) 10.042 8.346 ( -2.196 -12.426 11.770) 17.256 9.051 ( -22.250 -4.634 -13.989) 26.688 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 4.270 3.246 -3.553) 6.434 2.477 ( 5.329 14.747 1.254) 15.731 3.590 ( 12.085 8.103 -2.027) 14.690 5.322 ( 2.948 10.694 -0.063) 11.093 6.244 ( 3.318 7.320 0.337) 8.044 6.478 ( 1.886 2.978 3.398) 4.896 6.628 ( -0.148 5.456 -2.521) 6.013 6.807 ( -0.053 4.479 -2.332) 5.050 7.051 ( 5.244 -1.425 -6.261) 8.290 7.273 ( -0.364 -4.944 -1.517) 5.184 8.232 ( -5.921 -10.837 8.916) 15.231 8.666 ( -9.537 -1.349 -9.274) 13.371 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.050 1.785 -3.911) 5.271 2.684 ( 1.342 13.685 1.634) 13.848 3.800 ( 7.024 2.186 -4.332) 8.537 5.474 ( 1.053 12.978 -0.868) 13.049 6.249 ( -6.937 2.645 -0.600) 7.449 6.550 ( 0.925 3.643 1.837) 4.183 6.668 ( 0.249 6.940 -2.273) 7.307 6.846 ( 2.100 1.168 -1.513) 2.839 7.163 ( 5.022 5.236 -6.403) 9.677 7.261 ( 4.326 -3.298 2.970) 6.198 7.973 ( -10.869 -8.739 3.373) 14.349 8.621 ( 4.158 -2.434 -0.154) 4.820 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.154 1.243 -3.306) 4.137 2.808 ( -3.194 12.420 2.558) 13.076 3.849 ( 1.511 -2.199 -7.284) 7.757 5.594 ( -3.572 14.068 -1.682) 14.612 6.160 ( -3.556 2.482 1.056) 4.464 6.569 ( -4.245 3.843 1.722) 5.980 6.762 ( 3.503 6.304 -3.606) 8.063 6.904 ( 4.040 0.240 0.763) 4.118 7.156 ( -5.448 2.896 -7.592) 9.783 7.400 ( 6.244 1.651 3.393) 7.296 7.798 ( -1.747 -6.908 8.472) 11.070 8.681 ( 6.743 -4.703 0.398) 8.231 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 0.953 0.611 -2.703) 2.931 2.834 ( -8.519 10.427 2.978) 13.790 3.782 ( -1.329 -4.343 -7.918) 9.128 5.595 ( -8.742 9.149 -1.059) 12.698 6.219 ( 3.335 7.031 1.162) 7.868 6.505 ( -6.662 2.276 1.561) 7.211 6.866 ( 1.699 5.828 -2.227) 6.466 6.979 ( 1.908 1.409 -0.458) 2.416 7.028 ( -6.275 0.367 -5.173) 8.141 7.467 ( -0.324 0.794 1.331) 1.583 7.786 ( 1.482 -5.774 7.928) 9.919 8.799 ( 12.909 -4.888 2.328) 13.998 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -1.903 -0.679 -2.356) 3.104 2.733 ( -14.143 6.732 2.006) 15.792 3.677 ( -2.808 -4.434 -5.472) 7.582 5.489 ( -10.142 3.716 -0.178) 10.803 6.331 ( -3.083 6.827 -0.266) 7.496 6.432 ( -3.293 2.825 2.189) 4.860 6.831 ( -10.402 4.789 -2.110) 11.644 6.953 ( 1.591 0.352 -4.094) 4.407 7.037 ( 0.816 1.694 0.876) 2.075 7.419 ( -3.237 -4.377 -1.763) 5.723 7.786 ( 2.704 -2.039 3.354) 4.767 9.049 ( 18.473 -4.240 4.544) 19.491 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -6.616 -1.711 -1.704) 7.043 2.495 ( -18.736 2.496 0.519) 18.908 3.538 ( -7.463 -3.852 -2.668) 8.812 5.323 ( -11.216 0.668 0.237) 11.238 6.247 ( -10.223 2.304 -0.499) 10.492 6.365 ( -9.858 0.025 3.567) 10.483 6.694 ( -8.929 4.520 -3.248) 10.522 6.950 ( -3.720 1.732 -0.391) 4.122 7.106 ( 6.730 1.910 -2.934) 7.586 7.314 ( 0.263 -3.629 -4.382) 5.696 7.887 ( 7.557 0.992 2.620) 8.060 9.347 ( 18.705 -5.154 2.553) 19.569 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -0.000 19.270 4.849) 19.871 1.580 ( -0.000 8.821 10.199) 13.484 2.668 ( -0.000 26.832 -2.770) 26.974 4.915 ( -0.000 5.343 2.307) 5.820 5.478 ( -0.000 22.308 6.114) 23.130 5.891 ( -0.000 5.460 -3.784) 6.643 6.452 ( -0.000 1.416 3.793) 4.049 6.868 ( 0.000 5.405 -6.773) 8.665 6.873 ( -0.000 -0.289 1.315) 1.347 7.585 ( 0.000 -8.088 -8.812) 11.961 8.628 ( 0.000 -19.898 9.014) 21.845 9.977 ( 0.000 -9.786 -9.639) 13.736 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 1.590 7.575 4.838) 9.128 1.835 ( 8.542 17.708 3.833) 20.031 2.939 ( 3.850 22.224 -3.643) 22.848 5.010 ( 3.404 6.406 1.598) 7.428 5.739 ( 2.252 20.321 4.180) 20.869 6.061 ( 11.032 8.408 0.357) 13.875 6.474 ( 0.050 0.547 3.520) 3.563 6.862 ( -1.265 1.577 -1.146) 2.324 6.906 ( 1.552 2.516 -6.802) 7.416 7.463 ( -1.080 -9.024 -5.734) 10.746 8.436 ( -1.915 -19.248 7.578) 20.775 9.733 ( -12.336 -8.164 -12.041) 19.074 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 2.673 5.408 0.058) 6.032 2.191 ( 10.385 16.491 2.170) 19.609 3.219 ( 7.283 16.019 -2.262) 17.742 5.167 ( 5.461 7.832 1.059) 9.607 6.001 ( 6.109 15.476 0.662) 16.651 6.356 ( 8.711 8.172 3.783) 12.528 6.511 ( 2.502 3.218 1.449) 4.326 6.859 ( -1.224 3.703 -2.107) 4.433 6.913 ( 2.098 -2.385 -7.578) 8.217 7.329 ( -1.999 -8.438 -2.970) 9.165 8.267 ( -0.534 -14.502 7.961) 16.553 9.325 ( -19.661 -6.337 -13.177) 24.502 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.108 3.440 -2.668) 5.349 2.523 ( 8.048 15.825 0.874) 17.776 3.488 ( 9.026 9.485 -0.571) 13.106 5.355 ( 5.535 9.499 0.497) 11.005 6.248 ( 5.968 11.116 -1.875) 12.756 6.487 ( 1.733 2.778 4.074) 5.227 6.657 ( 3.717 7.708 0.005) 8.557 6.848 ( -0.253 -1.046 -6.942) 7.025 6.922 ( 3.205 1.223 -2.974) 4.540 7.227 ( -0.569 -4.218 -1.368) 4.470 8.184 ( 1.027 -11.174 9.000) 14.385 8.874 ( -19.116 -3.774 -11.459) 22.605 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.960 2.183 -3.302) 4.943 2.792 ( 4.348 15.347 0.790) 15.971 3.696 ( 6.958 3.352 -0.922) 7.778 5.555 ( 4.734 12.307 0.013) 13.186 6.374 ( -1.147 5.671 -3.320) 6.671 6.536 ( -0.106 1.735 0.037) 1.739 6.759 ( 0.902 7.453 1.943) 7.755 6.847 ( 0.687 1.641 -3.469) 3.898 6.999 ( 8.185 -1.147 -1.030) 8.329 7.227 ( 1.585 2.398 -2.829) 4.033 8.062 ( -6.811 -10.424 4.541) 13.255 8.590 ( -5.460 -2.142 -3.290) 6.725 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 2.494 1.691 -2.877) 4.165 2.988 ( 0.080 14.720 1.894) 14.841 3.777 ( 2.283 -1.731 -3.241) 4.326 5.761 ( 2.244 15.762 -1.001) 15.952 6.297 ( -8.893 2.947 -1.699) 9.521 6.572 ( 3.271 0.288 -2.280) 3.998 6.818 ( -2.621 2.002 -3.547) 4.844 6.881 ( 2.257 6.684 4.594) 8.419 7.209 ( 15.288 -2.435 3.179) 15.803 7.257 ( -2.639 6.582 -5.602) 9.037 7.838 ( -7.788 -7.065 3.220) 10.997 8.546 ( 2.648 -5.235 1.092) 5.968 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.642 1.360 -2.373) 3.190 3.095 ( -5.536 13.266 3.139) 14.714 3.732 ( -0.966 -4.754 -5.236) 7.137 5.867 ( -9.132 13.191 -2.038) 16.173 6.240 ( 1.231 5.562 0.135) 5.699 6.589 ( -1.654 -0.052 -0.700) 1.797 6.810 ( 3.395 -1.155 -3.682) 5.139 6.998 ( 1.721 5.291 3.209) 6.423 7.203 ( -8.669 7.314 -2.893) 11.705 7.429 ( 7.859 -0.748 0.164) 7.896 7.717 ( -0.047 -6.081 5.674) 8.317 8.563 ( 6.915 -7.144 1.100) 10.003 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.133 0.763 -2.133) 2.269 3.058 ( -12.838 8.288 2.297) 15.452 3.651 ( -0.821 -3.400 -3.913) 5.248 5.736 ( -13.261 5.170 -0.564) 14.244 6.404 ( 4.767 10.886 -1.366) 11.963 6.523 ( -5.227 -0.094 1.424) 5.419 6.856 ( 5.208 -3.500 -3.546) 7.207 7.003 ( -5.261 -0.000 -3.209) 6.163 7.159 ( -5.987 11.954 3.074) 13.718 7.424 ( -3.545 -4.620 -3.069) 6.583 7.725 ( 3.320 -4.276 5.012) 7.377 8.694 ( 15.636 -6.670 1.555) 17.070 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -3.219 0.374 -1.820) 3.717 2.840 ( -17.581 1.798 0.176) 17.673 3.601 ( -3.041 0.265 -0.974) 3.204 5.541 ( -12.562 1.422 0.139) 12.643 6.422 ( -7.262 1.226 2.113) 7.662 6.512 ( -4.229 4.339 -1.469) 6.234 6.870 ( -8.043 1.608 -3.496) 8.916 6.918 ( 8.011 -1.312 -2.486) 8.490 7.167 ( -9.762 6.601 0.864) 11.816 7.263 ( -1.336 -5.699 -4.753) 7.540 7.793 ( 5.435 -0.089 4.575) 7.105 8.946 ( 19.485 -7.046 -0.856) 20.738 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.000 5.705 2.820) 6.364 1.951 ( -0.000 17.820 2.605) 18.010 3.104 ( -0.000 18.897 -3.812) 19.278 5.040 ( -0.000 6.068 0.288) 6.075 5.991 ( -0.000 22.563 5.770) 23.289 6.025 ( -0.000 8.330 1.624) 8.487 6.493 ( -0.000 0.481 4.056) 4.085 6.872 ( 0.000 0.159 -1.372) 1.381 6.892 ( 0.000 1.734 -8.912) 9.079 7.367 ( 0.000 -8.438 -2.621) 8.835 8.285 ( 0.000 -17.252 4.971) 17.954 9.708 ( 0.000 -8.934 -13.260) 15.989 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.855 4.234 -0.301) 4.330 2.199 ( 7.460 15.916 1.598) 17.650 3.282 ( 2.591 14.018 -2.178) 14.421 5.145 ( 4.636 6.449 -0.253) 7.947 6.105 ( 0.152 13.024 2.205) 13.210 6.311 ( 8.292 11.487 3.520) 14.598 6.527 ( 0.911 3.391 4.572) 5.765 6.844 ( -0.554 -3.940 -7.922) 8.865 6.878 ( 0.858 1.448 -3.760) 4.120 7.285 ( -1.470 -3.831 -0.353) 4.118 8.152 ( 0.228 -12.189 4.482) 12.988 9.470 ( -10.642 -8.632 -13.753) 19.414 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 1.670 2.978 -2.079) 3.998 2.516 ( 10.201 14.389 0.365) 17.642 3.460 ( 5.013 8.690 0.285) 10.036 5.321 ( 7.538 7.213 -0.270) 10.437 6.261 ( 3.310 9.025 -1.153) 9.681 6.489 ( 3.980 3.418 4.751) 7.077 6.663 ( 4.668 7.514 2.313) 9.143 6.743 ( -0.030 -7.429 -8.256) 11.106 6.931 ( 3.346 4.975 -2.727) 6.586 7.235 ( -3.459 1.856 0.238) 3.933 8.084 ( 1.252 -8.391 5.557) 10.142 9.097 ( -16.345 -7.068 -12.277) 21.630 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 2.307 2.235 -2.279) 3.938 2.826 ( 8.829 13.763 -0.488) 16.359 3.621 ( 5.571 3.288 1.616) 6.668 5.546 ( 8.741 9.360 0.146) 12.807 6.361 ( 3.454 1.628 -3.352) 5.081 6.590 ( -1.397 1.592 0.735) 2.242 6.702 ( 7.849 -2.518 -0.790) 8.281 6.797 ( 3.223 5.439 1.022) 6.404 7.042 ( -1.248 9.660 -4.161) 10.592 7.209 ( -0.138 2.705 -0.435) 2.743 8.032 ( -0.855 -8.719 4.675) 9.931 8.727 ( -13.698 -4.033 -7.165) 15.976 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.462 1.954 -1.755) 3.600 3.089 ( 5.541 13.546 -0.073) 14.636 3.710 ( 2.798 -1.845 0.617) 3.408 5.810 ( 8.361 12.837 0.168) 15.320 6.412 ( 1.794 0.511 -2.381) 3.025 6.529 ( -2.276 -1.818 -1.512) 3.282 6.844 ( 3.919 -0.133 -0.930) 4.030 6.943 ( 7.694 5.565 5.591) 11.020 6.999 ( -5.802 4.785 -3.130) 8.146 7.307 ( 3.502 6.912 -3.880) 8.665 7.892 ( -5.442 -8.700 2.124) 10.480 8.520 ( -4.910 -3.388 -0.750) 6.013 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.026 1.739 -1.356) 2.994 3.285 ( 0.775 13.222 1.496) 13.329 3.681 ( -0.891 -6.081 -1.767) 6.395 6.074 ( 3.939 15.408 -0.875) 15.928 6.342 ( -8.866 2.474 -0.924) 9.251 6.539 ( 5.583 -3.198 -0.897) 6.496 6.789 ( -4.780 -1.091 -0.432) 4.922 7.020 ( 1.989 2.746 -1.144) 3.579 7.192 ( 14.120 -0.285 3.695) 14.598 7.379 ( -2.637 8.039 -3.413) 9.122 7.736 ( -4.720 -4.907 1.811) 7.045 8.437 ( 0.204 -5.847 0.933) 5.925 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.952 1.365 -1.380) 2.162 3.338 ( -9.451 6.279 1.433) 11.437 3.607 ( 1.421 -2.666 -1.751) 3.492 6.046 ( -15.948 5.185 -0.414) 16.775 6.399 ( 6.536 9.896 -1.673) 11.977 6.586 ( 1.714 -1.545 0.043) 2.308 6.726 ( 0.539 -4.024 1.352) 4.279 7.047 ( -0.743 0.999 -3.067) 3.311 7.322 ( -1.174 -1.152 -5.187) 5.442 7.439 ( 2.128 6.135 4.843) 8.101 7.642 ( -0.791 -4.262 1.507) 4.589 8.436 ( 6.760 -5.345 0.904) 8.665 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -0.802 1.123 -1.600) 2.113 3.118 ( -14.742 -3.551 -1.081) 15.202 3.653 ( 0.181 5.044 1.461) 5.255 5.795 ( -15.270 0.814 0.350) 15.296 6.532 ( -2.519 1.389 1.219) 3.124 6.585 ( 0.148 1.505 -2.723) 3.115 6.748 ( 6.340 -1.719 1.336) 6.704 6.992 ( -5.205 2.219 -4.283) 7.096 7.212 ( -3.680 -8.050 -5.684) 10.519 7.420 ( -9.333 6.394 0.296) 11.317 7.701 ( 7.419 -1.489 4.943) 9.038 8.579 ( 13.972 -3.877 -1.254) 14.554 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.000 3.067 -1.375) 3.361 2.285 ( -0.000 13.812 0.938) 13.844 3.377 ( -0.000 10.170 -0.892) 10.209 5.162 ( -0.000 6.115 -0.949) 6.188 6.235 ( -0.000 9.677 5.103) 10.940 6.337 ( -0.000 6.310 -0.183) 6.313 6.583 ( -0.000 5.129 7.057) 8.724 6.764 ( 0.000 -7.068 -9.395) 11.757 6.854 ( 0.000 -0.330 -3.673) 3.688 7.313 ( -0.000 5.875 0.976) 5.956 8.065 ( 0.000 -6.884 3.157) 7.573 9.415 ( 0.000 -10.197 -14.112) 17.410 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.667 2.286 -1.649) 2.897 2.484 ( 7.601 11.521 0.037) 13.803 3.478 ( 2.084 6.040 1.290) 6.518 5.265 ( 5.307 5.885 -1.022) 7.991 6.306 ( -1.116 3.532 -0.071) 3.705 6.451 ( 6.229 4.661 3.886) 8.696 6.637 ( 0.587 -5.040 -2.690) 5.743 6.690 ( 0.858 2.870 0.334) 3.014 6.868 ( 4.011 -0.105 -3.307) 5.199 7.378 ( -3.515 11.081 0.124) 11.626 8.036 ( -0.194 -1.613 3.494) 3.853 9.182 ( -8.378 -10.259 -12.881) 18.476 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 1.484 2.039 -0.946) 2.694 2.762 ( 11.393 10.117 -1.146) 15.280 3.578 ( 3.545 2.107 3.218) 5.231 5.456 ( 9.805 6.371 -0.421) 11.701 6.299 ( 1.305 -2.663 -2.477) 3.864 6.577 ( 0.123 -2.251 -4.467) 5.003 6.624 ( 4.379 4.057 5.695) 8.250 6.779 ( 4.360 4.160 1.095) 6.125 6.982 ( 9.261 1.383 -1.556) 9.492 7.389 ( -7.677 10.442 -1.421) 13.038 8.020 ( -3.032 -0.427 2.276) 3.815 8.866 ( -11.324 -7.823 -8.682) 16.273 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 2.042 2.039 -0.086) 2.887 3.056 ( 11.141 9.490 -1.841) 14.750 3.651 ( 2.582 -1.861 3.505) 4.735 5.730 ( 12.981 8.166 0.576) 15.347 6.299 ( 4.034 -4.551 -1.692) 6.313 6.551 ( -1.066 0.672 -2.036) 2.394 6.729 ( 4.823 -0.381 2.364) 5.385 6.920 ( 4.531 4.404 3.505) 7.226 7.176 ( 7.419 5.376 -3.989) 9.993 7.320 ( -8.403 8.039 -1.186) 11.689 7.910 ( -6.539 -4.782 -0.378) 8.110 8.611 ( -8.678 -3.486 -2.696) 9.734 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.003 1.885 0.272) 2.764 3.318 ( 8.817 8.998 -1.369) 12.672 3.637 ( -1.250 -5.683 1.981) 6.147 6.056 ( 12.809 10.027 0.655) 16.280 6.335 ( 6.290 -6.056 -0.224) 8.735 6.519 ( -4.647 2.053 0.407) 5.096 6.812 ( 4.728 -1.670 -2.586) 5.642 6.999 ( -1.058 0.389 2.441) 2.689 7.172 ( -5.772 7.698 2.176) 9.865 7.415 ( 5.625 6.457 -4.454) 9.652 7.748 ( -4.033 -6.481 0.687) 7.664 8.452 ( -6.118 -2.455 -0.379) 6.603 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.382 1.514 -0.001) 2.050 3.503 ( -6.037 -8.870 0.022) 10.729 3.532 ( 5.919 8.630 -0.025) 10.465 6.340 ( -6.629 5.655 0.960) 8.766 6.351 ( 9.996 -1.930 -1.017) 10.231 6.432 ( -0.381 -1.269 0.168) 1.335 6.792 ( -3.366 0.518 0.327) 3.421 7.012 ( 2.787 -0.035 -1.958) 3.406 7.235 ( 4.059 1.036 2.790) 5.033 7.488 ( -1.525 3.834 -1.923) 4.552 7.662 ( -1.273 -3.621 0.664) 3.895 8.357 ( -1.294 -1.471 -0.007) 1.959 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 0.366 1.209 -0.654) 1.422 3.261 ( -10.032 -10.115 -0.918) 14.276 3.699 ( 3.221 8.050 1.253) 8.761 6.083 ( -16.898 -1.868 0.795) 17.019 6.424 ( 6.764 -11.556 -1.478) 13.472 6.556 ( 3.408 6.400 -0.991) 7.318 6.774 ( -1.777 3.531 4.306) 5.846 7.021 ( 0.232 -1.668 -3.770) 4.129 7.236 ( -5.616 -0.020 -4.416) 7.145 7.537 ( 7.033 -3.958 2.203) 8.365 7.586 ( -4.386 0.525 0.835) 4.495 8.404 ( 5.646 2.527 0.010) 6.186 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 1.868 -0.729) 2.005 2.512 ( -0.000 8.405 -0.298) 8.411 3.513 ( -0.000 3.108 2.868) 4.229 5.267 ( -0.000 4.923 -1.172) 5.061 6.313 ( 0.000 -5.002 -2.768) 5.717 6.466 ( -0.000 8.709 4.973) 10.029 6.583 ( 0.000 -1.513 -3.570) 3.877 6.719 ( -0.000 1.104 5.657) 5.764 6.802 ( 0.000 -1.707 -4.194) 4.528 7.519 ( -0.000 9.552 -1.762) 9.713 8.086 ( -0.000 7.712 3.068) 8.300 9.092 ( 0.000 -12.015 -12.038) 17.008 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.733 1.924 0.686) 2.170 2.657 ( 8.361 6.026 -1.103) 10.365 3.562 ( 1.667 0.804 4.565) 4.925 5.361 ( 6.134 4.151 -0.783) 7.448 6.247 ( -0.145 -3.846 -2.990) 4.873 6.568 ( -0.355 1.477 -0.864) 1.748 6.606 ( 3.935 4.439 1.782) 6.194 6.756 ( 2.471 2.016 3.657) 4.852 6.832 ( 6.023 -2.022 0.389) 6.365 7.556 ( -2.802 5.329 -3.076) 6.761 8.159 ( -5.086 10.579 -0.006) 11.738 8.887 ( -5.150 -9.964 -7.942) 13.744 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.384 2.054 1.782) 3.051 2.897 ( 13.163 4.302 -2.179) 14.018 3.612 ( 1.831 -1.272 5.288) 5.739 5.559 ( 12.123 3.356 0.296) 12.583 6.219 ( 1.110 -1.487 -2.163) 2.850 6.574 ( -0.381 1.877 -0.499) 1.979 6.680 ( 2.130 -0.097 2.785) 3.508 6.891 ( 4.831 4.088 3.657) 7.309 6.973 ( 12.761 -1.201 -0.393) 12.823 7.519 ( -5.154 3.561 -2.733) 6.834 8.067 ( -11.952 2.812 -5.046) 13.275 8.705 ( -6.497 -1.990 -1.612) 6.984 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 1.635 1.804 2.051) 3.184 3.161 ( 13.727 1.834 -2.505) 14.073 3.623 ( -0.431 -2.844 4.122) 5.026 5.832 ( 15.938 -0.513 1.082) 15.983 6.248 ( 2.632 2.556 -0.470) 3.699 6.587 ( -0.258 1.757 -0.225) 1.790 6.724 ( 2.095 -0.476 2.847) 3.567 6.992 ( 2.736 -0.249 3.927) 4.792 7.209 ( 12.916 1.291 -3.674) 13.490 7.433 ( -6.632 2.029 0.320) 6.943 7.834 ( -11.070 -1.381 -4.392) 11.989 8.577 ( -8.711 2.045 -0.177) 8.950 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 1.426 1.291 1.565) 2.480 3.349 ( 8.578 -6.949 -0.536) 11.052 3.593 ( -0.899 2.118 0.701) 2.405 6.043 ( 13.089 -10.613 0.122) 16.852 6.380 ( 5.018 9.450 1.642) 10.825 6.579 ( -4.502 1.846 1.342) 5.047 6.751 ( 1.925 -1.596 -3.366) 4.193 7.011 ( 0.173 -1.455 3.627) 3.912 7.267 ( -3.940 -1.344 4.735) 6.305 7.484 ( 8.716 1.881 -3.103) 9.442 7.659 ( -6.874 -0.765 -1.833) 7.156 8.444 ( -8.075 2.912 -0.689) 8.612 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.000 2.080 2.357) 3.144 2.619 ( -0.000 2.715 -1.139) 2.944 3.571 ( -0.000 0.100 5.993) 5.994 5.337 ( -0.000 2.627 -0.744) 2.730 6.208 ( 0.000 -1.501 -3.170) 3.507 6.574 ( 0.000 -1.216 -3.873) 4.059 6.615 ( -0.000 4.334 1.360) 4.543 6.752 ( -0.000 -2.183 7.213) 7.536 6.787 ( -0.000 3.127 3.183) 4.462 7.597 ( 0.000 1.942 -4.147) 4.580 8.310 ( -0.000 7.119 -6.104) 9.378 8.827 ( 0.000 -3.510 -2.378) 4.240 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.587 2.061 3.388) 4.008 2.709 ( 8.980 0.140 -1.748) 9.149 3.602 ( 0.769 -0.541 6.779) 6.844 5.413 ( 6.674 1.111 -0.066) 6.766 6.200 ( 0.312 1.585 -2.527) 2.999 6.549 ( 2.469 -4.139 -3.627) 6.032 6.686 ( 1.357 5.194 2.497) 5.920 6.787 ( 4.792 -3.836 5.987) 8.574 6.875 ( 3.250 4.326 4.332) 6.931 7.579 ( -1.731 0.804 -4.209) 4.621 8.210 ( -6.794 -6.081 -10.269) 13.733 8.830 ( -4.474 9.241 2.172) 10.494 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.978 1.351 3.413) 3.799 2.896 ( 13.907 -2.862 -2.318) 14.386 3.623 ( -0.096 -1.554 5.773) 5.979 5.575 ( 11.497 -2.299 0.776) 11.750 6.243 ( 2.361 4.845 -1.039) 5.489 6.547 ( 2.638 -3.685 -2.178) 5.028 6.761 ( -0.589 4.468 6.636) 8.022 6.896 ( 9.592 -4.976 3.515) 11.363 7.002 ( 6.707 3.021 0.124) 7.357 7.517 ( -3.846 -1.725 -2.474) 4.888 7.963 ( -8.307 -6.557 -7.527) 12.987 8.815 ( -10.500 11.175 1.032) 15.369 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 1.277 0.379 2.677) 2.990 3.079 ( 12.809 -8.156 -1.394) 15.249 3.614 ( -0.491 -0.765 2.572) 2.728 5.731 ( 11.352 -8.382 0.429) 14.118 6.388 ( 5.861 8.703 1.610) 10.616 6.546 ( 2.976 -3.983 -2.784) 5.698 6.801 ( -2.811 3.345 6.176) 7.565 6.966 ( 2.715 -4.792 3.532) 6.543 7.195 ( 12.347 0.333 -3.214) 12.763 7.393 ( -4.245 -6.797 2.714) 8.461 7.781 ( -6.013 0.192 -5.147) 7.917 8.702 ( -13.937 9.912 0.006) 17.102 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -0.000 1.686 4.272) 4.593 2.606 ( 0.000 -2.929 -1.566) 3.321 3.620 ( -0.000 -0.414 7.785) 7.796 5.358 ( 0.000 -0.365 0.003) 0.365 6.220 ( -0.000 4.318 -2.447) 4.964 6.431 ( 0.000 -7.178 -5.896) 9.289 6.699 ( -0.000 -1.954 4.704) 5.093 6.792 ( -0.000 3.730 7.728) 8.581 6.901 ( -0.000 3.396 4.138) 5.353 7.580 ( 0.000 -0.325 -4.850) 4.861 8.120 ( 0.000 -12.790 -10.059) 16.271 9.021 ( -0.000 16.063 1.829) 16.167 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.155 0.248 4.099) 4.109 2.638 ( 8.883 -5.866 -1.776) 10.793 3.637 ( -0.420 -1.625 7.209) 7.402 5.399 ( 5.950 -2.711 0.508) 6.558 6.253 ( 0.606 3.500 -2.141) 4.148 6.411 ( 6.091 -4.707 -3.981) 8.666 6.716 ( 4.728 -4.888 3.913) 7.846 6.852 ( -1.290 4.615 7.169) 8.623 6.968 ( 2.607 2.016 3.120) 4.539 7.528 ( -2.037 -3.949 -3.765) 5.824 7.944 ( -2.744 -8.537 -6.825) 11.269 9.124 ( -7.467 15.896 -0.200) 17.563 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 0.807 -1.625 3.097) 3.590 2.753 ( 12.864 -9.671 -1.570) 16.171 3.621 ( -0.924 -3.103 4.642) 5.660 5.486 ( 8.331 -6.656 0.427) 10.672 6.333 ( 6.647 1.011 -0.567) 6.747 6.455 ( 3.042 -1.810 -1.878) 4.006 6.799 ( 8.522 -6.438 3.638) 11.283 6.903 ( -0.001 3.554 5.025) 6.155 7.041 ( 3.825 0.958 0.141) 3.945 7.404 ( -4.110 -7.894 0.878) 8.943 7.832 ( -2.866 0.066 -4.741) 5.541 9.081 ( -14.051 14.127 -1.145) 19.958 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.000 -1.850 4.109) 4.507 2.478 ( 0.000 -8.690 -1.481) 8.815 3.646 ( -0.000 -3.422 7.325) 8.084 5.316 ( 0.000 -4.143 0.524) 4.176 6.247 ( 0.000 -6.776 -3.439) 7.599 6.300 ( -0.000 3.247 -3.069) 4.468 6.644 ( 0.000 -5.544 3.944) 6.804 6.944 ( -0.000 4.533 6.673) 8.067 6.958 ( -0.000 -0.024 2.055) 2.055 7.478 ( 0.000 -7.080 -2.093) 7.383 7.888 ( 0.000 -1.836 -4.380) 4.750 9.351 ( -0.000 16.010 -2.549) 16.211 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.035 -4.711 3.183) 5.686 2.450 ( 8.416 -11.706 -1.156) 14.464 3.611 ( -0.956 -6.489 5.489) 8.553 5.307 ( 4.555 -6.767 0.336) 8.164 6.207 ( 3.760 -4.806 -1.007) 6.185 6.347 ( 5.752 -3.937 -4.023) 8.048 6.628 ( 3.698 -5.794 3.147) 7.559 6.941 ( -0.746 -0.342 1.979) 2.142 7.035 ( 1.500 4.304 3.806) 5.939 7.390 ( -2.047 -5.945 2.265) 6.683 7.877 ( -1.550 4.359 -2.932) 5.477 9.419 ( -8.314 14.645 -4.034) 17.317 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 -8.222 3.131) 8.798 2.236 ( 0.000 -14.462 -0.776) 14.483 3.549 ( 0.000 -11.364 4.345) 12.166 5.194 ( 0.000 -8.042 0.129) 8.043 6.138 ( 0.000 -2.857 1.100) 3.061 6.170 ( 0.000 -14.132 -5.196) 15.057 6.560 ( 0.000 -4.981 2.700) 5.665 6.933 ( 0.000 -2.938 -0.256) 2.949 7.103 ( -0.000 8.158 4.593) 9.362 7.380 ( -0.000 -1.618 4.262) 4.559 7.946 ( -0.000 7.729 -1.687) 7.911 9.616 ( -0.000 13.759 -6.747) 15.325 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -0.000 -0.000 17.934) 17.934 0.698 ( -0.000 -0.000 17.934) 17.934 1.246 ( -0.000 -0.000 33.727) 33.727 4.670 ( -0.000 -0.000 3.281) 3.281 4.670 ( -0.000 -0.000 3.281) 3.281 5.949 ( 0.000 0.000 -8.978) 8.978 5.949 ( 0.000 0.000 -8.978) 8.978 6.872 ( -0.000 -0.000 5.710) 5.710 6.872 ( -0.000 -0.000 5.710) 5.710 7.928 ( 0.000 0.000 -15.129) 15.129 8.866 ( -0.000 -0.000 8.732) 8.732 10.884 ( -0.000 -0.000 0.800) 0.800 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 13.528 7.811 16.310) 22.584 0.947 ( 11.962 6.906 13.473) 19.295 1.513 ( 13.505 7.797 21.992) 26.960 4.683 ( 1.121 0.647 2.832) 3.114 4.814 ( 9.755 5.632 4.196) 12.021 6.028 ( 5.673 3.275 -8.358) 10.620 6.042 ( 12.187 7.036 -11.773) 18.348 6.847 ( -2.571 -1.485 5.195) 5.984 6.866 ( -2.083 -1.203 5.728) 6.213 7.876 ( -0.461 -0.266 -16.065) 16.074 8.955 ( 2.513 1.451 7.283) 7.840 10.579 ( -22.544 -13.016 4.955) 26.499 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 10.965 6.331 14.064) 18.924 1.306 ( 14.829 8.561 8.246) 19.005 2.013 ( 23.825 13.756 5.917) 28.140 4.747 ( 3.640 2.101 2.369) 4.825 5.135 ( 15.643 9.031 6.696) 19.264 6.144 ( 6.726 3.883 -7.806) 11.011 6.305 ( 11.637 6.719 -7.950) 15.613 6.815 ( -3.878 -2.239 5.087) 6.777 6.842 ( 1.925 1.111 0.785) 2.357 7.780 ( -2.695 -1.556 -14.629) 14.956 8.952 ( -6.086 -3.514 9.772) 12.036 10.012 ( -25.626 -14.795 -0.372) 29.593 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 9.716 5.610 6.173) 12.805 1.675 ( 14.630 8.446 4.289) 17.429 2.602 ( 25.029 14.450 -0.224) 28.902 4.867 ( 5.827 3.364 1.670) 6.933 5.556 ( 17.320 10.000 8.414) 21.697 6.274 ( 6.476 3.739 -6.630) 9.994 6.467 ( 3.813 2.201 -1.295) 4.589 6.734 ( -4.104 -2.369 3.927) 6.155 6.959 ( 8.032 4.637 -5.797) 10.937 7.651 ( -4.246 -2.451 -11.271) 12.291 8.760 ( -12.942 -7.472 13.905) 20.413 9.422 ( -22.985 -13.270 -10.250) 28.451 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 8.236 4.755 -0.601) 9.529 2.006 ( 12.639 7.297 1.966) 14.726 3.146 ( 21.645 12.497 -1.998) 25.073 5.017 ( 6.394 3.692 0.457) 7.397 5.958 ( 13.656 7.884 7.981) 17.673 6.379 ( 3.436 1.984 -2.493) 4.686 6.515 ( 1.326 0.766 -0.598) 1.644 6.683 ( -0.331 -0.191 0.814) 0.899 7.088 ( 4.011 2.316 -8.560) 9.733 7.502 ( -5.757 -3.324 -6.024) 8.971 8.538 ( -9.314 -5.378 15.672) 19.008 8.889 ( -17.999 -10.392 -15.842) 26.133 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 5.678 3.278 -3.947) 7.653 2.272 ( 9.691 5.595 1.247) 11.260 3.574 ( 15.751 9.094 -3.971) 18.616 5.153 ( 5.157 2.977 -0.679) 5.993 6.196 ( 3.307 1.909 5.601) 6.779 6.408 ( -0.565 -0.326 3.717) 3.773 6.543 ( 2.300 1.328 -2.959) 3.976 6.737 ( 4.902 2.830 -3.601) 6.708 7.093 ( 0.635 0.367 -7.857) 7.891 7.373 ( -3.269 -1.887 -0.736) 3.846 8.328 ( -14.999 -8.659 3.344) 17.639 8.624 ( 0.885 0.511 -3.198) 3.357 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.382 1.953 -4.581) 6.020 2.462 ( 6.116 3.531 1.442) 7.208 3.831 ( 8.075 4.662 -7.986) 12.277 5.251 ( 3.568 2.060 -0.636) 4.169 6.159 ( -5.090 -2.938 2.833) 6.524 6.401 ( -1.492 -0.861 6.078) 6.317 6.630 ( 6.010 3.470 -4.949) 8.524 6.848 ( 5.356 3.092 -4.633) 7.728 7.096 ( 1.070 0.618 -7.014) 7.122 7.358 ( 0.995 0.574 3.952) 4.115 8.026 ( -10.185 -5.880 4.674) 12.656 8.712 ( 4.784 2.762 0.553) 5.552 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 2.263 1.307 -4.002) 4.780 2.563 ( 2.050 1.184 1.759) 2.949 3.898 ( 1.299 0.750 -11.650) 11.746 5.318 ( 2.260 1.305 0.226) 2.619 6.092 ( -0.636 -0.367 3.236) 3.318 6.377 ( -2.715 -1.567 6.037) 6.803 6.757 ( 6.014 3.472 -5.785) 9.038 6.937 ( 3.516 2.030 -4.196) 5.839 7.055 ( -2.143 -1.238 -9.092) 9.423 7.402 ( 0.757 0.437 5.905) 5.969 7.919 ( -2.840 -1.640 13.074) 13.479 8.827 ( 5.614 3.241 -0.599) 6.510 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 1.308 0.755 -3.393) 3.714 2.567 ( -2.378 -1.373 1.801) 3.284 3.840 ( -2.038 -1.177 -11.369) 11.610 5.351 ( 0.231 0.133 0.567) 0.626 6.154 ( 4.301 2.483 3.447) 6.046 6.313 ( -4.434 -2.560 4.480) 6.803 6.810 ( -1.707 -0.986 -4.620) 5.023 6.979 ( 1.268 0.732 -2.855) 3.209 6.982 ( 0.869 0.502 -8.874) 8.931 7.448 ( 1.110 0.641 6.364) 6.492 7.894 ( -4.090 -2.361 9.710) 10.798 9.007 ( 9.990 5.768 2.899) 11.894 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -1.779 -1.027 -3.274) 3.865 2.462 ( -7.269 -4.197 1.429) 8.514 3.731 ( -4.491 -2.593 -7.977) 9.515 5.319 ( -3.384 -1.954 0.079) 3.908 6.217 ( -4.415 -2.549 2.008) 5.480 6.263 ( 2.058 1.188 3.582) 4.298 6.687 ( -5.612 -3.240 -3.645) 7.435 6.976 ( -0.875 -0.505 -1.153) 1.533 7.009 ( 2.671 1.542 -5.171) 6.021 7.457 ( -2.554 -1.474 1.748) 3.428 7.847 ( 0.205 0.119 2.826) 2.836 9.298 ( 12.754 7.363 6.971) 16.293 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.000 8.992 13.567) 16.276 1.077 ( -0.000 15.992 17.186) 23.475 1.613 ( -0.000 15.031 19.956) 24.983 4.738 ( -0.000 2.853 4.050) 4.954 4.785 ( -0.000 9.579 3.323) 10.139 5.824 ( 0.000 -1.234 -8.977) 9.062 6.118 ( -0.000 14.945 -8.953) 17.422 6.849 ( -0.000 -4.606 5.519) 7.188 6.902 ( -0.000 -1.079 4.792) 4.912 7.816 ( 0.000 -1.031 -15.226) 15.261 8.982 ( -0.000 2.754 7.044) 7.564 10.633 ( 0.000 -20.459 2.878) 20.661 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 12.536 10.752 9.824) 19.216 1.328 ( 4.159 11.571 17.035) 21.009 1.927 ( 9.424 21.252 6.943) 24.262 4.768 ( -0.431 4.836 3.311) 5.876 5.024 ( 10.776 11.875 5.295) 16.887 5.916 ( 12.424 -0.281 -8.456) 15.031 6.264 ( 3.471 13.183 -6.836) 15.251 6.817 ( -0.425 -2.929 3.027) 4.233 6.888 ( -1.966 -0.882 3.901) 4.456 7.736 ( -0.963 -2.687 -14.016) 14.304 9.004 ( -1.577 -4.128 8.244) 9.353 10.257 ( -18.371 -18.519 -0.044) 26.085 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 8.532 8.278 8.475) 14.599 1.587 ( 9.394 11.429 8.035) 16.836 2.398 ( 17.539 21.181 -0.418) 27.503 4.853 ( 2.419 6.276 2.595) 7.209 5.404 ( 15.402 12.180 6.678) 20.741 6.118 ( 11.869 2.168 -6.839) 13.869 6.420 ( 4.022 5.917 -2.071) 7.448 6.793 ( -2.095 -1.357 1.725) 3.034 6.884 ( 2.245 2.396 -1.576) 3.642 7.629 ( -2.031 -3.788 -11.564) 12.337 8.881 ( -7.025 -11.854 11.589) 18.005 9.696 ( -24.820 -12.919 -7.118) 28.872 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 6.115 5.710 2.544) 8.745 1.917 ( 10.508 12.706 2.897) 16.741 2.918 ( 19.575 16.878 -1.948) 25.920 4.988 ( 3.928 7.340 1.432) 8.447 5.815 ( 15.330 9.587 6.044) 19.064 6.304 ( 7.379 4.779 -3.955) 9.639 6.495 ( 1.796 0.983 0.446) 2.095 6.736 ( -3.661 0.478 2.035) 4.216 6.986 ( 6.131 2.366 -7.796) 10.196 7.506 ( -2.928 -4.963 -7.735) 9.645 8.657 ( -7.759 -12.730 14.669) 20.915 9.118 ( -24.204 -8.181 -13.139) 28.730 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.424 4.100 -2.444) 7.225 2.212 ( 8.093 11.836 1.461) 14.413 3.376 ( 16.779 11.711 -2.871) 20.662 5.133 ( 3.445 7.681 0.016) 8.418 6.135 ( 9.523 4.854 4.234) 11.497 6.428 ( 2.114 3.854 1.653) 4.697 6.533 ( 0.829 2.360 -1.932) 3.160 6.717 ( -0.337 3.088 -0.186) 3.112 7.037 ( 2.631 -0.224 -9.348) 9.713 7.380 ( -2.461 -5.226 -2.997) 6.507 8.488 ( -9.386 -10.459 10.293) 17.419 8.658 ( -10.824 -2.443 -8.849) 14.193 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.961 2.553 -4.295) 6.376 2.444 ( 4.894 10.434 1.465) 11.617 3.694 ( 10.572 6.228 -5.682) 13.522 5.257 ( 1.851 8.062 -0.688) 8.300 6.230 ( -2.694 -0.489 2.718) 3.858 6.482 ( -1.782 3.962 4.845) 6.508 6.560 ( 2.362 2.881 -3.932) 5.417 6.784 ( 3.685 3.867 -2.975) 6.114 7.058 ( 2.522 2.264 -7.813) 8.517 7.332 ( 2.258 -2.440 1.806) 3.783 8.156 ( -12.669 -8.170 0.078) 15.075 8.650 ( 4.264 -0.452 4.101) 5.934 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 2.749 1.679 -4.295) 5.368 2.599 ( 0.847 8.838 1.991) 9.099 3.824 ( 3.518 1.405 -9.448) 10.179 5.355 ( -0.168 8.663 -0.521) 8.680 6.144 ( -4.472 -0.427 2.523) 5.153 6.486 ( -4.624 4.346 5.842) 8.626 6.656 ( 6.129 3.142 -5.400) 8.752 6.875 ( 4.084 2.465 -3.166) 5.726 7.065 ( -1.836 2.335 -9.073) 9.546 7.400 ( 3.355 0.342 5.305) 6.286 7.966 ( -2.653 -5.798 9.022) 11.047 8.738 ( 5.345 -0.977 0.900) 5.508 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 1.974 1.184 -3.808) 4.450 2.661 ( -3.898 7.074 2.328) 8.405 3.804 ( -0.527 -1.341 -10.800) 10.895 5.413 ( -2.684 7.486 -0.139) 7.954 6.138 ( 1.471 2.376 2.953) 4.065 6.446 ( -6.849 3.456 5.001) 9.157 6.770 ( 4.615 2.577 -4.743) 7.101 6.944 ( 2.163 1.331 -4.575) 5.232 6.985 ( -3.740 1.422 -7.776) 8.745 7.462 ( 0.993 0.814 5.675) 5.818 7.947 ( -0.896 -5.666 12.536) 13.786 8.856 ( 10.165 -0.183 0.064) 10.166 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.148 -0.105 -3.524) 3.529 2.617 ( -9.088 4.686 2.027) 10.424 3.725 ( -1.907 -2.609 -8.715) 9.295 5.403 ( -5.274 4.082 -0.134) 6.670 6.229 ( 2.451 3.095 2.090) 4.467 6.369 ( -6.773 4.013 3.753) 8.721 6.759 ( -6.063 0.651 -3.749) 7.158 6.929 ( 2.627 0.134 -6.689) 7.188 6.999 ( 0.715 2.466 -2.488) 3.575 7.485 ( -1.154 -1.749 3.940) 4.462 7.872 ( -3.365 -4.797 6.126) 8.478 9.103 ( 16.104 0.964 3.528) 16.514 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -0.000 15.289 8.631) 17.557 1.467 ( -0.000 8.731 18.232) 20.215 2.109 ( -0.000 25.722 1.279) 25.753 4.835 ( -0.000 3.828 3.368) 5.099 5.094 ( -0.000 17.623 5.341) 18.414 5.785 ( 0.000 3.073 -5.802) 6.566 6.344 ( -0.000 11.327 -3.764) 11.936 6.804 ( 0.000 -1.833 0.987) 2.082 6.902 ( -0.000 -1.664 2.970) 3.404 7.663 ( 0.000 -3.783 -12.267) 12.837 8.986 ( 0.000 -9.421 8.797) 12.890 10.221 ( 0.000 -18.611 -4.418) 19.129 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 8.370 15.028 6.275) 18.310 1.620 ( 2.671 6.639 12.851) 14.709 2.427 ( 6.564 25.981 -2.798) 26.943 4.900 ( 1.380 5.539 2.810) 6.362 5.366 ( 7.070 17.730 5.399) 19.836 5.918 ( 11.000 5.196 -3.397) 12.631 6.440 ( 0.941 6.297 0.216) 6.371 6.797 ( 0.259 0.994 -2.814) 2.996 6.888 ( -0.578 -0.962 1.283) 1.705 7.571 ( -0.920 -4.706 -9.851) 10.956 8.862 ( -2.952 -16.776 10.142) 19.824 9.892 ( -14.775 -13.472 -9.450) 22.116 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.802 6.167 4.405) 8.080 1.888 ( 10.546 14.254 4.309) 18.247 2.823 ( 11.984 21.484 -2.918) 24.774 5.017 ( 3.172 7.668 2.147) 8.572 5.704 ( 10.998 13.873 2.930) 17.944 6.189 ( 11.747 7.945 -0.582) 14.193 6.493 ( 0.349 1.353 2.834) 3.159 6.796 ( -1.415 1.616 -2.192) 3.069 6.898 ( 2.708 0.837 -4.373) 5.211 7.464 ( -1.825 -5.850 -6.894) 9.224 8.650 ( -4.063 -18.590 11.671) 22.323 9.410 ( -22.236 -8.095 -13.131) 27.062 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 3.522 4.353 -0.738) 5.648 2.216 ( 8.451 14.930 1.927) 17.263 3.230 ( 13.807 15.149 -2.052) 20.600 5.168 ( 3.397 9.206 0.946) 9.858 6.026 ( 10.882 9.668 0.643) 14.571 6.428 ( 4.938 6.604 2.547) 8.630 6.530 ( 2.022 2.932 0.830) 3.656 6.777 ( -2.041 2.803 -1.168) 3.658 6.936 ( 3.793 -1.122 -7.873) 8.811 7.343 ( -2.044 -6.699 -3.642) 7.894 8.484 ( -0.913 -14.233 13.269) 19.481 8.897 ( -22.199 -4.119 -13.687) 26.403 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 3.530 3.016 -3.209) 5.644 2.492 ( 5.403 14.552 1.367) 15.583 3.563 ( 10.858 8.769 -2.854) 14.245 5.320 ( 2.374 10.712 -0.155) 10.973 6.245 ( 4.045 5.371 -0.141) 6.726 6.505 ( 0.574 1.551 1.804) 2.447 6.619 ( -0.155 6.828 0.634) 6.859 6.783 ( 0.096 3.443 -2.045) 4.006 6.977 ( 5.623 1.088 -6.852) 8.931 7.262 ( 1.021 -4.717 -0.794) 4.892 8.302 ( -12.402 -11.130 2.554) 16.859 8.607 ( -1.582 -1.360 -0.056) 2.087 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 2.911 2.179 -3.704) 5.190 2.704 ( 1.746 13.798 1.990) 14.050 3.745 ( 4.797 3.079 -5.542) 7.950 5.465 ( 0.653 12.855 -0.843) 12.899 6.247 ( -5.876 1.258 0.368) 6.021 6.545 ( 3.020 1.225 -1.918) 3.782 6.673 ( -2.575 8.247 2.195) 8.914 6.831 ( 2.657 2.400 -1.274) 3.800 7.082 ( 2.201 5.898 -7.509) 9.799 7.300 ( 7.869 -2.933 3.689) 9.172 8.007 ( -8.576 -7.928 2.674) 11.982 8.638 ( 4.176 -3.482 3.298) 6.359 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 2.189 1.800 -3.485) 4.492 2.838 ( -2.974 12.777 2.876) 13.430 3.764 ( -0.230 -0.863 -7.868) 7.918 5.577 ( -3.449 13.453 -1.344) 13.953 6.174 ( -2.481 1.789 1.641) 3.471 6.579 ( -1.478 1.087 0.150) 1.840 6.729 ( 1.524 6.427 -2.406) 7.030 6.913 ( 2.890 3.674 0.814) 4.745 7.070 ( -5.581 4.551 -7.757) 10.584 7.441 ( 5.427 -0.110 3.937) 6.706 7.896 ( 1.787 -8.104 9.183) 12.377 8.686 ( 6.058 -4.501 0.473) 7.562 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 0.963 1.136 -3.311) 3.630 2.867 ( -8.921 10.608 2.911) 14.163 3.697 ( -1.464 -2.528 -7.445) 7.998 5.584 ( -8.062 8.991 -0.906) 12.110 6.231 ( 3.185 5.726 1.099) 6.644 6.524 ( -5.572 0.976 1.944) 5.981 6.827 ( 4.366 3.997 -4.963) 7.725 6.942 ( -9.148 5.082 -4.716) 11.478 7.004 ( 1.012 2.987 -0.331) 3.171 7.489 ( 0.108 -1.910 2.428) 3.091 7.876 ( -0.392 -8.208 8.204) 11.612 8.816 ( 14.426 -4.153 0.753) 15.031 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 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 17.603 5.133) 18.336 1.695 ( -0.000 4.014 10.257) 11.014 2.628 ( -0.000 26.065 -4.290) 26.415 4.937 ( -0.000 4.541 1.447) 4.766 5.550 ( -0.000 22.508 6.771) 23.504 5.867 ( -0.000 7.277 -0.530) 7.297 6.492 ( -0.000 3.363 3.349) 4.745 6.796 ( 0.000 2.750 -6.023) 6.621 6.883 ( 0.000 -1.440 0.466) 1.514 7.497 ( 0.000 -5.434 -7.170) 8.997 8.727 ( 0.000 -21.513 8.915) 23.287 9.851 ( 0.000 -11.699 -13.009) 17.496 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.195 4.638 4.186) 6.251 1.879 ( 8.341 15.639 3.973) 18.165 2.899 ( 4.319 22.557 -3.423) 23.221 5.025 ( 3.778 5.562 0.938) 6.789 5.782 ( 0.432 18.979 3.595) 19.321 6.080 ( 11.373 10.914 2.995) 16.044 6.522 ( -0.499 0.617 5.107) 5.168 6.804 ( 0.318 2.830 -7.780) 8.285 6.869 ( 0.099 -0.925 -1.171) 1.496 7.407 ( -1.147 -6.293 -4.309) 7.713 8.523 ( -0.989 -21.451 8.227) 22.996 9.582 ( -12.301 -8.754 -15.122) 21.368 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 1.438 3.602 -0.019) 3.878 2.215 ( 9.973 15.432 1.944) 18.476 3.198 ( 7.834 16.944 -1.443) 18.723 5.177 ( 5.654 7.124 0.666) 9.119 6.005 ( 4.978 14.615 0.246) 15.442 6.396 ( 9.061 9.384 3.390) 13.478 6.545 ( 0.418 2.419 4.556) 5.175 6.798 ( 0.280 0.309 -8.161) 8.172 6.864 ( 0.861 -0.155 -1.909) 2.100 7.301 ( -2.092 -6.262 -1.934) 6.880 8.361 ( 1.298 -16.463 9.284) 18.945 9.169 ( -19.164 -5.802 -15.086) 25.070 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 2.394 3.003 -2.018) 4.338 2.533 ( 8.050 15.134 0.755) 17.159 3.483 ( 8.638 10.583 -0.415) 13.667 5.359 ( 5.431 9.269 0.307) 10.747 6.226 ( 5.487 9.656 -1.925) 11.272 6.536 ( 0.495 2.975 4.898) 5.752 6.662 ( 3.278 7.335 0.377) 8.043 6.771 ( 2.461 -1.982 -6.414) 7.150 6.894 ( 1.668 3.059 -2.103) 4.069 7.215 ( -0.928 -3.491 -0.855) 3.712 8.284 ( 0.998 -13.678 9.100) 16.458 8.748 ( -16.327 -1.846 -10.931) 19.735 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 2.603 2.543 -2.444) 4.383 2.802 ( 5.014 14.921 0.962) 15.770 3.682 ( 5.277 4.460 -1.589) 7.090 5.554 ( 4.301 12.422 -0.177) 13.146 6.342 ( -0.289 4.606 -2.310) 5.161 6.537 ( -2.405 0.648 0.334) 2.514 6.778 ( 1.469 7.717 0.081) 7.856 6.821 ( 1.797 2.805 -0.300) 3.344 6.982 ( 8.944 1.176 -1.778) 9.194 7.205 ( 1.393 0.644 -1.130) 1.906 8.098 ( -9.167 -10.621 1.848) 14.151 8.572 ( -0.900 -2.326 0.196) 2.502 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.240 2.313 -2.371) 3.998 3.010 ( 1.004 14.559 2.151) 14.751 3.737 ( 0.191 -0.544 -3.949) 3.991 5.749 ( 1.408 15.756 -1.096) 15.856 6.285 ( -7.439 2.457 -0.533) 7.853 6.549 ( 2.904 0.591 -1.612) 3.374 6.782 ( -2.603 1.851 -2.882) 4.302 6.931 ( 2.501 6.367 3.914) 7.881 7.177 ( 2.872 7.281 -5.075) 9.328 7.265 ( 9.651 -2.445 3.608) 10.590 7.871 ( -5.863 -7.539 2.762) 9.942 8.562 ( 2.646 -5.730 1.712) 6.539 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 1.372 1.955 -2.451) 3.422 3.129 ( -5.238 13.114 3.074) 14.452 3.674 ( -1.945 -3.274 -5.120) 6.381 5.847 ( -8.764 13.396 -1.610) 16.089 6.243 ( 1.243 4.645 0.344) 4.821 6.586 ( -0.189 0.462 -0.005) 0.499 6.764 ( 1.489 0.368 -4.213) 4.483 7.019 ( 0.355 2.327 -0.228) 2.365 7.184 ( -7.089 10.735 0.258) 12.867 7.432 ( 6.057 -2.534 0.318) 6.573 7.779 ( 2.352 -8.334 5.477) 10.246 8.573 ( 6.760 -6.792 0.614) 9.602 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.000 2.570 2.051) 3.288 1.979 ( -0.000 16.685 2.513) 16.874 3.069 ( -0.000 19.811 -2.311) 19.946 5.041 ( -0.000 5.421 -0.080) 5.421 6.048 ( -0.000 20.814 4.524) 21.300 6.056 ( -0.000 9.733 3.949) 10.504 6.552 ( -0.000 0.369 6.683) 6.693 6.792 ( 0.000 1.075 -9.157) 9.220 6.852 ( 0.000 -0.953 -2.250) 2.444 7.346 ( 0.000 -5.780 -1.238) 5.911 8.344 ( 0.000 -19.299 5.661) 20.112 9.541 ( 0.000 -8.736 -16.672) 18.822 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.401 2.623 -0.324) 2.673 2.216 ( 7.302 14.934 1.314) 16.676 3.268 ( 2.953 15.235 -0.174) 15.519 5.141 ( 4.874 5.891 -0.327) 7.653 6.130 ( -1.483 13.015 2.288) 13.298 6.347 ( 8.450 9.733 3.095) 13.256 6.594 ( 0.024 3.835 7.318) 8.262 6.745 ( -0.283 -3.603 -9.072) 9.766 6.846 ( 1.328 0.320 -2.834) 3.146 7.287 ( -1.820 -2.309 0.712) 3.025 8.206 ( 1.344 -13.643 5.415) 14.739 9.302 ( -10.119 -7.674 -16.553) 20.864 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.298 2.708 -1.049) 3.181 2.518 ( 9.999 13.557 -0.023) 16.845 3.471 ( 5.110 9.942 1.710) 11.308 5.318 ( 7.903 6.887 -0.159) 10.484 6.248 ( 1.726 7.914 -1.095) 8.174 6.547 ( 5.553 4.690 5.374) 9.039 6.652 ( -0.109 -4.457 -6.710) 8.056 6.696 ( 2.764 4.251 2.405) 5.612 6.903 ( 3.386 4.693 -2.242) 6.207 7.239 ( -3.869 1.872 0.568) 4.335 8.148 ( 2.420 -10.316 6.074) 12.213 8.953 ( -14.697 -5.090 -13.624) 20.677 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 1.948 2.703 -0.824) 3.432 2.820 ( 9.199 13.026 -0.655) 15.960 3.641 ( 4.617 4.430 1.909) 6.677 5.548 ( 8.901 9.421 0.228) 12.963 6.333 ( 3.280 1.989 -1.651) 4.176 6.573 ( -1.022 -3.281 -2.633) 4.329 6.721 ( 6.870 3.084 3.167) 8.169 6.815 ( 4.261 5.739 1.959) 7.411 6.997 ( -1.588 8.676 -3.581) 9.519 7.204 ( -1.266 2.547 -0.498) 2.888 8.077 ( -1.462 -11.166 3.309) 11.737 8.652 ( -10.134 -1.746 -6.248) 12.032 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 2.010 2.640 -0.641) 3.379 3.089 ( 6.648 12.867 -0.001) 14.483 3.714 ( 0.907 -0.766 0.202) 1.204 5.812 ( 7.889 13.074 0.052) 15.270 6.394 ( 1.348 1.513 -0.855) 2.199 6.517 ( -1.455 -1.978 -0.579) 2.523 6.839 ( 1.813 0.019 -0.140) 1.819 6.974 ( -2.589 3.181 -1.195) 4.272 6.991 ( 7.147 7.302 2.497) 10.518 7.272 ( 2.873 6.039 -1.900) 6.952 7.908 ( -5.388 -9.066 0.703) 10.569 8.514 ( -2.935 -3.327 -0.250) 4.443 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 1.470 2.366 -0.916) 2.932 3.302 ( 2.146 12.709 1.509) 12.977 3.660 ( -2.759 -5.057 -2.011) 6.101 6.064 ( 2.987 15.713 -0.809) 16.015 6.335 ( -8.495 2.711 -0.279) 8.922 6.528 ( 5.026 -2.706 -1.013) 5.797 6.792 ( -4.249 0.777 0.994) 4.432 7.012 ( 2.640 -0.461 -0.496) 2.726 7.202 ( 10.124 0.898 -2.029) 10.364 7.373 ( 1.023 7.744 2.440) 8.184 7.749 ( -4.404 -5.590 0.544) 7.137 8.446 ( 0.586 -6.153 0.681) 6.219 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.000 2.353 -0.592) 2.426 2.293 ( -0.000 13.098 0.511) 13.108 3.382 ( -0.000 11.427 1.829) 11.572 5.152 ( -0.000 5.753 -0.712) 5.797 6.296 ( -0.000 10.008 5.765) 11.550 6.331 ( -0.000 4.539 -0.784) 4.607 6.663 ( 0.000 -6.316 -7.571) 9.860 6.674 ( -0.000 5.156 8.033) 9.545 6.810 ( 0.000 -0.924 -4.230) 4.330 7.326 ( -0.000 5.321 1.355) 5.491 8.103 ( 0.000 -7.440 3.771) 8.341 9.244 ( 0.000 -8.651 -16.728) 18.833 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.577 2.541 0.005) 2.606 2.481 ( 7.331 10.921 -0.501) 13.163 3.506 ( 2.169 7.175 3.850) 8.426 5.256 ( 5.518 5.700 -0.650) 7.960 6.298 ( -1.876 0.987 -1.079) 2.378 6.499 ( 7.062 6.013 4.237) 10.197 6.575 ( -0.057 -4.271 -5.666) 7.095 6.733 ( -0.523 2.490 3.989) 4.731 6.843 ( 5.099 1.055 -0.241) 5.212 7.376 ( -3.570 9.224 -0.528) 9.905 8.074 ( 0.072 -2.517 3.306) 4.156 9.031 ( -7.363 -7.850 -14.299) 17.897 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 1.231 2.742 0.935) 3.148 2.747 ( 11.173 9.543 -1.658) 14.787 3.623 ( 3.127 3.021 4.855) 6.517 5.454 ( 10.262 6.479 0.052) 12.136 6.274 ( 1.552 -3.118 -1.995) 4.014 6.539 ( -0.138 -0.041 -2.265) 2.269 6.678 ( 4.889 2.479 3.403) 6.452 6.797 ( 4.149 4.734 1.944) 6.588 6.976 ( 7.716 2.168 0.842) 8.059 7.368 ( -7.380 9.126 -2.334) 11.966 8.035 ( -3.189 -3.241 0.443) 4.568 8.772 ( -9.086 -4.507 -8.174) 13.026 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 1.545 2.757 1.309) 3.420 3.034 ( 11.552 8.865 -2.105) 14.712 3.692 ( 1.280 -1.143 4.020) 4.371 5.738 ( 13.099 8.539 0.909) 15.663 6.286 ( 4.815 -4.588 -0.698) 6.687 6.540 ( -0.771 1.997 -0.034) 2.141 6.754 ( 3.327 -1.159 2.277) 4.195 6.950 ( 4.706 4.997 0.972) 6.933 7.147 ( 5.987 5.442 -0.263) 8.095 7.300 ( -7.730 8.105 -2.534) 11.483 7.897 ( -5.256 -6.920 -1.867) 8.888 8.584 ( -7.213 -1.706 -2.241) 7.743 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -0.000 2.622 1.397) 2.970 2.506 ( -0.000 8.029 -0.865) 8.076 3.562 ( -0.000 4.007 5.946) 7.170 5.255 ( -0.000 4.857 -0.851) 4.931 6.278 ( 0.000 -5.895 -3.457) 6.834 6.509 ( -0.000 6.544 2.399) 6.970 6.550 ( 0.000 1.373 -1.884) 2.332 6.764 ( 0.000 -0.114 -2.240) 2.243 6.803 ( -0.000 0.542 8.871) 8.888 7.491 ( -0.000 7.671 -3.193) 8.309 8.110 ( -0.000 6.022 1.037) 6.111 8.957 ( 0.000 -8.596 -12.173) 14.902 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.571 2.767 2.615) 3.850 2.642 ( 7.962 5.745 -1.694) 9.963 3.628 ( 1.432 1.390 7.354) 7.620 5.354 ( 6.505 4.287 -0.432) 7.802 6.212 ( 0.301 -3.841 -3.344) 5.102 6.564 ( -0.600 2.419 0.183) 2.499 6.607 ( 4.997 2.314 -1.550) 5.721 6.795 ( 2.022 3.744 3.520) 5.522 6.873 ( 4.790 -1.283 6.757) 8.381 7.514 ( -2.387 4.693 -4.509) 6.932 8.134 ( -5.406 6.108 -4.491) 9.311 8.809 ( -4.102 -4.769 -5.929) 8.644 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.961 2.670 2.982) 4.117 2.870 ( 12.826 4.125 -2.744) 13.749 3.681 ( 0.938 -1.140 7.110) 7.262 5.565 ( 12.713 3.580 0.815) 13.233 6.195 ( 1.822 -1.162 -2.067) 2.990 6.576 ( -0.207 1.207 0.494) 1.320 6.706 ( 3.569 1.542 2.000) 4.373 6.918 ( 5.060 5.149 0.513) 7.238 6.995 ( 8.913 -2.461 5.067) 10.544 7.484 ( -4.048 3.917 -3.646) 6.710 7.993 ( -10.394 -0.034 -8.062) 13.154 8.692 ( -6.499 1.189 -0.749) 6.649 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.000 2.786 3.787) 4.701 2.603 ( -0.000 2.583 -1.639) 3.059 3.655 ( -0.000 0.322 9.176) 9.181 5.329 ( -0.000 2.867 -0.686) 2.948 6.170 ( 0.000 -0.953 -3.615) 3.738 6.517 ( 0.000 -3.215 -6.070) 6.869 6.643 ( -0.000 5.918 3.680) 6.969 6.833 ( -0.000 4.627 4.768) 6.644 6.843 ( -0.000 -2.680 9.178) 9.561 7.541 ( 0.000 1.856 -5.814) 6.103 8.210 ( 0.000 1.606 -11.490) 11.601 8.816 ( -0.000 2.814 -0.054) 2.815 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 0.312 2.427 3.998) 4.687 2.687 ( 8.547 0.167 -2.229) 8.835 3.692 ( 0.150 -0.858 9.396) 9.437 5.412 ( 7.151 1.401 -0.010) 7.287 6.170 ( 0.740 2.130 -2.868) 3.649 6.501 ( 4.814 -4.671 -4.884) 8.297 6.721 ( 0.894 5.894 3.932) 7.141 6.867 ( 2.428 -2.797 8.100) 8.907 6.923 ( 2.812 3.250 4.446) 6.184 7.525 ( -0.990 1.063 -5.536) 5.723 8.084 ( -5.614 -5.367 -12.248) 14.503 8.850 ( -4.951 9.748 1.212) 11.000 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 1.772 4.172) 4.533 2.587 ( 0.000 -2.856 -1.842) 3.399 3.720 ( -0.000 -1.223 10.213) 10.286 5.356 ( 0.000 0.073 -0.300) 0.308 6.190 ( -0.000 4.738 -2.998) 5.607 6.368 ( 0.000 -6.349 -5.455) 8.370 6.754 ( -0.000 -1.701 5.215) 5.486 6.884 ( -0.000 2.711 8.810) 9.218 6.943 ( -0.000 2.502 3.600) 4.384 7.518 ( 0.000 0.398 -6.224) 6.237 8.006 ( 0.000 -9.176 -10.421) 13.886 9.027 ( -0.000 14.336 -0.727) 14.354 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.000 -0.000 14.573) 14.573 0.877 ( -0.000 -0.000 14.573) 14.573 1.592 ( -0.000 -0.000 28.818) 28.818 4.710 ( -0.000 -0.000 3.822) 3.822 4.710 ( -0.000 -0.000 3.822) 3.822 5.849 ( 0.000 0.000 -9.116) 9.116 5.849 ( 0.000 0.000 -9.116) 9.116 6.933 ( -0.000 -0.000 5.310) 5.310 6.933 ( -0.000 -0.000 5.310) 5.310 7.766 ( 0.000 0.000 -13.997) 13.997 8.953 ( -0.000 -0.000 6.960) 6.960 10.893 ( -0.000 -0.000 0.836) 0.836 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 9.957 5.749 10.620) 15.652 1.108 ( 14.325 8.271 14.455) 21.967 1.743 ( 5.644 3.258 19.385) 20.451 4.717 ( 0.807 0.466 3.382) 3.508 4.865 ( 10.534 6.082 4.885) 13.107 5.921 ( 11.597 6.696 -9.983) 16.703 5.931 ( 5.932 3.425 -9.105) 11.394 6.903 ( -3.265 -1.885 4.697) 6.023 6.926 ( -2.191 -1.265 5.048) 5.646 7.711 ( -0.679 -0.392 -13.740) 13.762 9.028 ( 2.668 1.540 5.986) 6.732 10.620 ( -21.784 -12.577 2.602) 25.288 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 13.080 7.552 6.008) 16.254 1.453 ( 8.309 4.797 16.091) 18.734 2.064 ( 19.218 11.096 3.143) 22.413 4.776 ( 3.280 1.894 2.814) 4.718 5.211 ( 16.611 9.590 6.685) 20.312 6.051 ( 7.131 4.117 -8.975) 12.180 6.215 ( 14.440 8.337 -7.825) 18.419 6.856 ( -1.014 -0.586 1.615) 1.995 6.869 ( -4.117 -2.377 4.428) 6.496 7.631 ( -1.989 -1.148 -12.379) 12.590 9.048 ( -3.897 -2.250 7.685) 8.906 10.009 ( -29.312 -16.924 -0.201) 33.848 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.240 3.025 8.203) 10.193 1.714 ( 13.528 7.810 2.636) 15.841 2.593 ( 24.169 13.954 -1.385) 27.942 4.886 ( 5.281 3.049 1.873) 6.379 5.645 ( 17.600 10.161 7.247) 21.576 6.191 ( 7.506 4.334 -8.269) 11.979 6.450 ( 6.169 3.562 -1.543) 7.288 6.779 ( -4.560 -2.633 3.993) 6.608 6.897 ( 5.049 2.915 -5.466) 7.992 7.535 ( -2.645 -1.527 -9.547) 10.024 8.907 ( -10.527 -6.078 12.474) 17.416 9.323 ( -27.314 -15.770 -7.365) 32.388 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 5.444 3.143 0.582) 6.313 2.023 ( 12.264 7.081 1.055) 14.201 3.121 ( 21.053 12.155 -2.487) 24.437 5.022 ( 5.734 3.311 0.513) 6.641 6.039 ( 13.256 7.654 6.456) 16.613 6.331 ( 6.505 3.755 -5.795) 9.487 6.515 ( 0.671 0.388 0.911) 1.196 6.706 ( -2.354 -1.359 3.130) 4.146 6.984 ( 3.513 2.028 -10.218) 10.993 7.438 ( -3.374 -1.948 -5.316) 6.591 8.702 ( -14.450 -8.343 3.161) 16.982 8.749 ( -13.982 -8.072 1.263) 16.194 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 4.621 2.668 -3.301) 6.274 2.285 ( 9.800 5.658 0.983) 11.358 3.524 ( 14.325 8.271 -4.984) 17.276 5.147 ( 4.881 2.818 -0.396) 5.650 6.256 ( 2.168 1.252 5.007) 5.598 6.432 ( 2.763 1.595 0.234) 3.199 6.518 ( 0.565 0.326 -1.194) 1.361 6.712 ( 2.566 1.481 -0.717) 3.048 6.998 ( 2.025 1.169 -9.371) 9.659 7.365 ( -0.913 -0.527 -0.785) 1.315 8.295 ( -13.262 -7.657 -7.039) 16.854 8.690 ( -0.492 -0.284 12.758) 12.770 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.350 1.934 -4.397) 5.856 2.478 ( 6.316 3.647 1.497) 7.445 3.737 ( 6.197 3.578 -8.948) 11.458 5.247 ( 3.815 2.203 -0.114) 4.407 6.196 ( -5.544 -3.201 3.656) 7.373 6.465 ( -0.531 -0.306 5.314) 5.349 6.579 ( 5.005 2.890 -4.037) 7.050 6.798 ( 4.909 2.834 -4.275) 7.099 7.008 ( 0.707 0.408 -8.777) 8.815 7.404 ( 2.730 1.576 4.256) 5.296 8.075 ( -4.703 -2.715 3.977) 6.731 8.746 ( 1.660 0.958 5.655) 5.971 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 2.551 1.473 -4.316) 5.226 2.584 ( 2.130 1.230 1.860) 3.084 3.769 ( 0.650 0.375 -11.328) 11.353 5.322 ( 2.480 1.432 0.509) 2.909 6.130 ( -0.565 -0.326 3.614) 3.673 6.447 ( -3.056 -1.765 6.514) 7.409 6.694 ( 5.911 3.413 -5.388) 8.696 6.887 ( 3.976 2.296 -4.805) 6.646 6.949 ( -2.489 -1.437 -9.849) 10.259 7.472 ( 1.270 0.733 6.599) 6.760 8.069 ( -1.283 -0.741 13.682) 13.762 8.820 ( 5.111 2.951 -0.617) 5.934 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.000 7.171 11.509) 13.560 1.243 ( -0.000 19.218 12.714) 23.043 1.819 ( -0.000 4.991 17.190) 17.900 4.782 ( -0.000 2.767 3.759) 4.667 4.828 ( -0.000 9.950 4.347) 10.858 5.734 ( 0.000 -0.507 -7.082) 7.100 6.015 ( -0.000 16.090 -9.428) 18.649 6.907 ( 0.000 -5.282 4.938) 7.231 6.952 ( -0.000 -1.650 4.061) 4.384 7.662 ( 0.000 -1.008 -12.696) 12.736 9.051 ( -0.000 3.166 5.500) 6.346 10.654 ( 0.000 -21.139 1.135) 21.169 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 11.281 9.367 8.120) 16.762 1.511 ( 3.166 12.946 15.849) 20.708 1.986 ( 6.574 13.461 3.650) 15.419 4.805 ( -0.774 4.809 3.315) 5.892 5.083 ( 11.555 12.038 5.174) 17.470 5.834 ( 11.591 1.213 -6.052) 13.132 6.181 ( 3.814 16.228 -7.937) 18.464 6.853 ( -1.322 -4.880 3.281) 6.027 6.927 ( -2.106 -1.854 3.160) 4.226 7.595 ( -0.853 -1.912 -11.335) 11.526 9.084 ( -0.764 -2.264 6.308) 6.746 10.251 ( -18.722 -22.498 -1.015) 29.287 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 9.869 8.626 5.615) 14.259 1.686 ( 2.792 7.144 10.026) 12.624 2.383 ( 17.498 19.716 -2.388) 26.469 4.882 ( 1.860 6.191 2.641) 6.983 5.469 ( 16.105 11.171 4.712) 20.158 6.050 ( 11.025 4.652 -5.401) 13.129 6.389 ( 5.842 9.826 -3.203) 11.872 6.805 ( -0.440 -3.083 0.455) 3.147 6.880 ( -1.946 -0.109 0.487) 2.009 7.514 ( -1.471 -2.489 -9.100) 9.548 9.000 ( -5.139 -9.741 9.701) 14.677 9.623 ( -26.541 -17.758 -5.886) 32.472 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 3.304 3.078 3.376) 5.639 1.943 ( 9.353 12.726 1.626) 15.877 2.894 ( 19.598 16.600 -2.249) 25.781 5.004 ( 3.144 7.130 1.370) 7.912 5.866 ( 16.085 7.497 2.899) 17.982 6.258 ( 7.255 8.428 -4.039) 11.831 6.509 ( 1.584 1.766 2.125) 3.185 6.759 ( -2.651 -1.122 1.798) 3.394 6.898 ( 3.576 1.691 -7.759) 8.709 7.430 ( -1.666 -3.409 -5.933) 7.042 8.819 ( -6.368 -12.131 13.620) 19.318 8.987 ( -25.003 -10.801 -9.673) 28.903 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 3.778 2.924 -1.440) 4.990 2.225 ( 7.926 12.082 0.859) 14.476 3.342 ( 15.721 11.562 -3.333) 19.798 5.134 ( 2.849 7.505 0.080) 8.028 6.168 ( 10.499 2.949 1.635) 11.027 6.431 ( 3.408 7.989 -0.996) 8.743 6.532 ( -0.734 0.695 1.862) 2.118 6.726 ( -1.460 1.304 1.578) 2.514 6.930 ( 2.775 0.743 -9.935) 10.342 7.349 ( -0.747 -3.904 -2.691) 4.800 8.463 ( -18.442 -6.554 -9.728) 21.856 8.724 ( -0.959 -7.398 15.531) 17.230 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.358 2.372 -3.448) 5.366 2.460 ( 5.076 10.778 1.356) 11.990 3.627 ( 8.461 6.102 -6.312) 12.193 5.252 ( 1.829 7.923 -0.305) 8.137 6.260 ( -2.024 -1.808 2.522) 3.705 6.516 ( 1.571 1.865 0.529) 2.495 6.537 ( -1.055 5.395 0.517) 5.522 6.757 ( 2.115 3.441 -1.598) 4.344 6.968 ( 2.462 2.790 -8.305) 9.101 7.352 ( 4.820 -1.083 1.601) 5.193 8.141 ( -8.552 -4.929 -2.457) 10.172 8.736 ( 1.821 -3.984 10.798) 11.653 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 2.635 1.907 -3.897) 5.076 2.621 ( 0.922 9.271 2.010) 9.531 3.720 ( 1.701 1.770 -9.166) 9.489 5.352 ( 0.204 8.212 -0.033) 8.215 6.176 ( -3.876 -1.089 3.148) 5.111 6.545 ( -3.175 2.972 4.400) 6.187 6.608 ( 4.533 3.752 -2.899) 6.560 6.836 ( 3.363 3.720 -3.800) 6.292 6.964 ( -2.482 2.416 -9.090) 9.728 7.459 ( 4.259 0.333 5.294) 6.803 8.063 ( 2.698 -4.131 8.127) 9.507 8.759 ( 2.310 -2.756 3.153) 4.783 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -0.000 13.520 7.736) 15.577 1.663 ( -0.000 7.435 16.990) 18.546 2.100 ( -0.000 20.615 -2.973) 20.828 4.865 ( -0.000 3.278 2.009) 3.844 5.158 ( -0.000 18.389 6.169) 19.396 5.740 ( -0.000 4.605 -2.201) 5.104 6.287 ( -0.000 15.566 -6.163) 16.742 6.824 ( 0.000 -5.209 2.388) 5.731 6.930 ( 0.000 -2.585 2.081) 3.318 7.542 ( 0.000 -2.505 -9.531) 9.855 9.072 ( 0.000 -7.313 6.845) 10.017 10.165 ( 0.000 -23.710 -5.463) 24.331 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 7.940 13.887 5.364) 16.872 1.755 ( 0.157 2.162 11.295) 11.502 2.385 ( 7.111 25.454 -4.501) 26.809 4.925 ( 1.843 4.909 1.755) 5.530 5.422 ( 5.759 17.497 4.633) 18.994 5.901 ( 10.535 7.478 0.269) 12.922 6.427 ( 1.597 11.385 -2.525) 11.770 6.778 ( -0.303 -3.294 -0.592) 3.360 6.900 ( -1.067 -2.204 0.786) 2.572 7.476 ( -0.839 -2.975 -7.278) 7.907 8.969 ( -1.999 -15.666 9.036) 18.195 9.781 ( -14.820 -18.090 -10.351) 25.574 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 1.199 3.573 3.650) 5.246 1.929 ( 8.998 13.126 3.086) 16.211 2.791 ( 12.633 21.767 -2.567) 25.298 5.038 ( 3.094 7.118 1.525) 7.910 5.725 ( 10.148 12.765 1.059) 16.342 6.194 ( 10.648 10.442 1.174) 14.960 6.526 ( 0.485 3.760 3.026) 4.851 6.756 ( 0.909 -0.314 -4.553) 4.654 6.867 ( -0.510 -0.637 -1.462) 1.675 7.399 ( -1.518 -3.994 -4.697) 6.350 8.782 ( -2.274 -19.227 12.166) 22.866 9.263 ( -22.005 -10.372 -13.459) 27.802 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 2.131 2.827 -0.188) 3.545 2.233 ( 8.002 14.797 1.075) 16.857 3.208 ( 13.494 15.622 -1.778) 20.720 5.177 ( 2.905 8.910 0.636) 9.393 6.025 ( 11.027 8.768 -0.643) 14.103 6.447 ( 5.382 9.573 0.875) 11.016 6.559 ( -0.097 1.530 4.392) 4.652 6.752 ( 0.241 0.387 -3.979) 4.005 6.863 ( 1.406 0.371 -4.593) 4.817 7.309 ( -1.543 -5.259 -2.471) 6.012 8.629 ( -2.807 -15.509 11.132) 19.296 8.759 ( -17.705 -4.734 -9.441) 20.616 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.730 2.674 -2.023) 4.324 2.506 ( 5.671 14.633 1.072) 15.730 3.530 ( 9.248 9.303 -3.168) 13.495 5.318 ( 1.973 10.628 -0.144) 10.810 6.242 ( 5.004 4.320 -0.381) 6.622 6.530 ( -1.730 0.703 3.083) 3.605 6.626 ( 0.551 7.611 -0.119) 7.632 6.760 ( 1.115 2.125 -2.331) 3.346 6.912 ( 4.667 3.421 -4.448) 7.298 7.254 ( 2.367 -3.947 -0.661) 4.649 8.283 ( -15.210 -6.719 -4.995) 17.362 8.669 ( 3.439 -7.099 10.141) 12.848 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 2.457 2.411 -2.638) 4.337 2.726 ( 2.206 14.060 1.971) 14.368 3.682 ( 2.695 3.822 -5.705) 7.376 5.457 ( 0.467 12.543 -0.531) 12.563 6.256 ( -4.602 0.245 1.234) 4.771 6.529 ( 1.970 0.712 -0.503) 2.154 6.692 ( -2.115 6.529 0.648) 6.893 6.817 ( 2.571 4.729 -1.539) 5.599 7.009 ( 0.249 6.497 -5.232) 8.346 7.338 ( 9.901 -2.297 3.127) 10.634 8.030 ( -4.793 -6.297 1.389) 8.034 8.692 ( 2.652 -6.365 6.224) 9.289 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.000 16.189 4.591) 16.828 1.794 ( -0.000 -0.474 7.009) 7.025 2.580 ( -0.000 26.804 -3.937) 27.091 4.946 ( -0.000 4.106 0.205) 4.111 5.624 ( -0.000 22.249 6.437) 23.161 5.880 ( -0.000 8.668 2.919) 9.147 6.517 ( -0.000 8.606 0.554) 8.624 6.745 ( 0.000 -2.232 -2.675) 3.484 6.883 ( 0.000 -2.589 -0.453) 2.628 7.430 ( 0.000 -3.278 -4.815) 5.825 8.824 ( 0.000 -22.245 8.669) 23.875 9.696 ( 0.000 -14.527 -14.899) 20.809 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.622 2.315 2.119) 3.199 1.919 ( 7.951 13.928 3.069) 16.329 2.868 ( 4.665 23.605 -1.904) 24.137 5.030 ( 4.187 5.092 0.106) 6.593 5.820 ( -1.398 18.023 3.308) 18.378 6.122 ( 10.965 11.974 4.431) 16.830 6.583 ( -0.718 3.122 5.309) 6.200 6.721 ( 0.428 0.214 -6.702) 6.719 6.855 ( 0.069 -1.834 -1.446) 2.336 7.370 ( -1.268 -4.035 -2.286) 4.808 8.618 ( 0.218 -23.182 8.968) 24.857 9.405 ( -11.783 -9.879 -16.858) 22.817 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.766 2.352 -0.134) 2.478 2.232 ( 9.534 14.660 1.153) 17.525 3.188 ( 7.885 18.056 -0.222) 19.704 5.182 ( 5.898 6.699 0.206) 8.927 6.009 ( 3.629 14.135 0.456) 14.600 6.428 ( 8.539 9.832 2.420) 13.245 6.608 ( -1.024 2.039 6.659) 7.039 6.706 ( 1.037 -0.781 -8.107) 8.210 6.848 ( 0.720 0.247 -1.182) 1.406 7.288 ( -2.429 -4.586 -0.556) 5.219 8.471 ( 3.170 -18.438 10.584) 21.495 8.998 ( -17.772 -5.652 -15.820) 24.456 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.834 2.808 -0.749) 3.437 2.539 ( 8.229 14.656 0.294) 16.811 3.480 ( 7.638 11.639 -0.153) 13.922 5.362 ( 5.333 9.171 0.103) 10.609 6.210 ( 5.160 8.917 -0.794) 10.333 6.594 ( -0.632 3.109 5.420) 6.280 6.648 ( 2.752 2.636 -3.620) 5.256 6.722 ( 3.921 3.453 -1.939) 5.573 6.877 ( 1.276 2.742 -0.886) 3.152 7.209 ( -1.339 -2.941 -0.287) 3.244 8.372 ( -3.023 -15.621 5.542) 16.848 8.647 ( -8.984 -1.288 -6.219) 11.002 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 2.033 2.848 -0.923) 3.619 2.812 ( 5.814 14.618 0.865) 15.756 3.662 ( 3.364 5.482 -1.922) 6.713 5.551 ( 3.917 12.473 -0.260) 13.076 6.326 ( 0.127 4.069 -0.453) 4.096 6.548 ( -3.308 -0.907 1.724) 3.839 6.757 ( 0.901 6.080 -2.969) 6.826 6.829 ( 2.853 6.582 0.063) 7.174 6.972 ( 8.365 2.270 0.578) 8.686 7.200 ( 2.295 -0.234 0.100) 2.309 8.102 ( -9.990 -9.087 -1.103) 13.550 8.595 ( 2.374 -5.269 3.820) 6.927 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -0.000 0.781 0.291) 0.834 2.005 ( -0.000 15.591 1.990) 15.718 3.056 ( -0.000 21.175 -0.063) 21.175 5.039 ( -0.000 5.209 -0.361) 5.222 6.089 ( -0.000 18.469 2.765) 18.675 6.110 ( -0.000 10.390 5.804) 11.901 6.639 ( -0.000 1.531 8.726) 8.859 6.694 ( 0.000 0.169 -8.426) 8.428 6.823 ( 0.000 -2.005 -3.025) 3.630 7.341 ( 0.000 -3.556 0.349) 3.573 8.411 ( 0.000 -21.125 6.716) 22.167 9.346 ( 0.000 -8.861 -18.635) 20.634 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 0.235 2.153 -0.233) 2.178 2.227 ( 7.099 14.001 0.714) 15.714 3.278 ( 2.926 16.690 1.825) 17.043 5.138 ( 5.037 5.680 -0.288) 7.597 6.154 ( -3.023 12.315 2.011) 12.839 6.380 ( 8.495 8.866 2.974) 12.634 6.650 ( 0.087 -3.042 -7.980) 8.540 6.682 ( -1.293 3.240 8.164) 8.878 6.816 ( 2.253 -0.054 -2.157) 3.120 7.300 ( -2.226 -1.396 1.593) 3.073 8.273 ( 2.548 -15.325 6.833) 16.972 9.111 ( -9.215 -6.824 -17.964) 21.312 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.066 2.989 0.438) 3.204 2.515 ( 9.878 12.790 -0.556) 16.170 3.496 ( 4.515 11.323 2.772) 12.501 5.318 ( 8.147 6.826 0.016) 10.629 6.240 ( 0.985 7.083 -0.230) 7.155 6.573 ( 3.236 -0.383 -3.859) 5.050 6.610 ( 3.993 1.521 2.012) 4.723 6.729 ( 0.839 3.879 3.115) 5.045 6.888 ( 2.770 4.972 -0.035) 5.691 7.246 ( -4.295 1.260 0.671) 4.526 8.217 ( 3.020 -13.139 6.395) 14.921 8.803 ( -12.116 -2.876 -13.369) 18.271 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 2.693 0.545) 2.747 2.296 ( -0.000 12.361 -0.013) 12.361 3.416 ( -0.000 12.956 4.058) 13.577 5.146 ( -0.000 5.542 -0.359) 5.553 6.321 ( -0.000 3.552 -1.179) 3.743 6.359 ( -0.000 9.427 5.528) 10.928 6.578 ( 0.000 -4.965 -6.572) 8.237 6.763 ( 0.000 -1.060 -4.148) 4.281 6.779 ( -0.000 4.755 9.976) 11.051 7.341 ( -0.000 3.798 1.357) 4.033 8.151 ( 0.000 -8.731 5.006) 10.064 9.053 ( 0.000 -6.831 -17.783) 19.050 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.484 3.256 1.863) 3.783 2.473 ( 7.057 10.302 -1.000) 12.528 3.560 ( 1.797 8.624 5.674) 10.479 5.251 ( 5.744 5.575 -0.172) 8.007 6.283 ( -1.628 -1.199 -1.697) 2.640 6.526 ( 0.972 0.818 -1.753) 2.165 6.537 ( 5.975 3.074 0.970) 6.789 6.751 ( 0.623 1.334 -0.026) 1.473 6.882 ( 3.041 3.193 6.716) 8.034 7.367 ( -3.485 6.584 -1.153) 7.538 8.109 ( 0.196 -5.148 3.107) 6.016 8.874 ( -6.008 -4.638 -13.818) 15.765 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -0.000 3.393 3.265) 4.709 2.494 ( -0.000 7.636 -1.291) 7.744 3.641 ( -0.000 5.323 8.160) 9.743 5.248 ( -0.000 4.670 -0.404) 4.688 6.238 ( 0.000 -6.480 -3.861) 7.543 6.510 ( -0.000 2.376 -2.311) 3.315 6.547 ( -0.000 3.988 1.445) 4.242 6.762 ( -0.000 3.371 1.834) 3.838 6.906 ( -0.000 0.448 9.582) 9.593 7.450 ( -0.000 5.452 -4.089) 6.815 8.107 ( 0.000 1.456 -1.640) 2.193 8.833 ( 0.000 -3.678 -9.913) 10.574 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -0.000 -0.000 10.702) 10.702 1.017 ( -0.000 -0.000 10.702) 10.702 1.875 ( -0.000 -0.000 22.282) 22.282 4.752 ( -0.000 -0.000 3.783) 3.783 4.752 ( -0.000 -0.000 3.783) 3.783 5.753 ( 0.000 0.000 -8.027) 8.027 5.753 ( 0.000 0.000 -8.027) 8.027 6.986 ( -0.000 -0.000 4.260) 4.260 6.986 ( -0.000 -0.000 4.260) 4.260 7.625 ( 0.000 0.000 -11.490) 11.490 9.019 ( -0.000 -0.000 5.031) 5.031 10.901 ( -0.000 -0.000 0.728) 0.728 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 8.404 4.852 6.938) 11.929 1.250 ( 15.941 9.203 11.207) 21.550 1.932 ( -0.434 -0.250 14.681) 14.690 4.756 ( 0.572 0.330 3.571) 3.632 4.916 ( 11.256 6.498 4.082) 13.623 5.828 ( 11.254 6.497 -6.708) 14.624 5.831 ( 5.756 3.323 -8.727) 10.970 6.949 ( -3.703 -2.138 3.574) 5.573 6.975 ( -2.276 -1.314 3.743) 4.573 7.577 ( -0.774 -0.447 -10.529) 10.567 9.085 ( 2.856 1.649 4.317) 5.432 10.641 ( -21.352 -12.327 1.402) 24.695 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 11.769 6.795 3.043) 13.926 1.632 ( 7.365 4.252 16.046) 18.160 2.078 ( 14.999 8.660 -0.674) 17.333 4.808 ( 2.886 1.666 3.010) 4.491 5.274 ( 17.257 9.963 4.341) 20.394 5.951 ( 7.209 4.162 -9.029) 12.281 6.145 ( 15.820 9.133 -4.434) 18.797 6.872 ( -3.063 -1.768 1.140) 3.716 6.911 ( -4.128 -2.383 3.222) 5.754 7.512 ( -1.552 -0.896 -8.948) 9.126 9.119 ( -2.228 -1.286 5.190) 5.792 10.010 ( -31.266 -18.051 0.517) 36.106 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 12.889 7.441 0.587) 14.894 1.734 ( 0.919 0.531 8.321) 8.389 2.573 ( 24.108 13.919 -2.168) 27.922 4.907 ( 4.661 2.691 1.897) 5.707 5.707 ( 17.877 10.321 3.612) 20.956 6.097 ( 8.079 4.664 -8.591) 12.682 6.442 ( 8.695 5.020 0.406) 10.048 6.820 ( -4.420 -2.552 3.342) 6.101 6.839 ( 1.186 0.685 -5.109) 5.289 7.446 ( -1.590 -0.918 -6.389) 6.648 9.010 ( -9.032 -5.215 4.420) 11.327 9.283 ( -29.039 -16.766 1.850) 33.583 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.698 1.557 1.462) 3.441 2.028 ( 12.305 7.104 -0.039) 14.209 3.092 ( 20.351 11.750 -2.629) 23.646 5.028 ( 5.134 2.964 0.540) 5.952 6.093 ( 13.398 7.735 3.073) 15.773 6.259 ( 8.159 4.710 -7.046) 11.764 6.541 ( 0.375 0.217 4.075) 4.098 6.745 ( -2.834 -1.636 3.796) 5.012 6.867 ( 2.686 1.551 -10.884) 11.318 7.387 ( -2.011 -1.161 -3.869) 4.512 8.595 ( -19.916 -11.498 -10.335) 25.213 8.926 ( -8.510 -4.913 18.673) 21.101 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 3.353 1.936 -1.987) 4.352 2.293 ( 10.159 5.865 0.543) 11.743 3.468 ( 12.729 7.349 -5.138) 15.571 5.144 ( 4.762 2.749 -0.033) 5.499 6.300 ( 2.329 1.345 2.864) 3.929 6.412 ( 6.341 3.661 -3.677) 8.193 6.525 ( -1.991 -1.150 2.778) 3.606 6.724 ( 0.010 0.006 2.669) 2.669 6.890 ( 3.246 1.874 -10.053) 10.730 7.355 ( 1.352 0.781 -1.110) 1.916 8.215 ( -9.656 -5.575 -6.760) 13.039 8.859 ( -3.806 -2.197 17.014) 17.572 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.000 6.467 8.562) 10.730 1.355 ( -0.000 21.562 7.525) 22.837 1.984 ( -0.000 -2.271 12.426) 12.631 4.817 ( -0.000 2.350 2.412) 3.368 4.877 ( -0.000 10.720 4.545) 11.644 5.673 ( 0.000 0.863 -3.854) 3.950 5.915 ( -0.000 16.180 -8.574) 18.311 6.954 ( 0.000 -5.370 3.537) 6.430 6.990 ( -0.000 -2.133 2.904) 3.603 7.540 ( 0.000 -0.950 -9.149) 9.198 9.102 ( -0.000 3.481 3.655) 5.048 10.662 ( 0.000 -22.136 0.292) 22.138 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 9.387 9.110 5.283) 14.108 1.668 ( 5.380 17.090 12.308) 21.737 2.007 ( 2.943 4.334 0.337) 5.250 4.838 ( -0.480 4.337 2.612) 5.086 5.132 ( 11.238 12.449 3.475) 17.127 5.786 ( 9.848 3.308 -2.686) 10.731 6.097 ( 4.847 17.418 -6.768) 19.304 6.885 ( -2.136 -5.602 2.371) 6.447 6.956 ( -2.093 -2.605 2.040) 3.915 7.490 ( -0.791 -1.428 -7.551) 7.725 9.141 ( -0.104 -0.703 4.012) 4.074 10.238 ( -18.452 -25.877 -1.074) 31.800 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 9.697 10.282 1.988) 14.273 1.797 ( -1.587 1.813 9.275) 9.583 2.350 ( 18.565 19.691 -3.268) 27.259 4.910 ( 1.547 5.851 2.261) 6.460 5.502 ( 16.070 10.275 1.107) 19.107 6.000 ( 8.692 8.027 -3.799) 12.426 6.360 ( 8.437 11.751 -1.653) 14.560 6.804 ( -1.398 -4.301 -0.529) 4.553 6.889 ( -3.305 -1.721 1.074) 3.878 7.433 ( -1.086 -1.670 -5.375) 5.732 9.085 ( -4.206 -6.596 5.308) 9.453 9.577 ( -25.950 -23.043 -1.913) 34.757 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 1.459 0.838 2.815) 3.280 1.952 ( 8.408 12.944 0.098) 15.436 2.871 ( 19.501 16.541 -1.788) 25.634 5.017 ( 2.505 6.819 1.122) 7.351 5.877 ( 16.628 6.167 -0.855) 17.755 6.216 ( 6.187 11.841 -3.784) 13.886 6.545 ( 2.691 2.920 4.365) 5.900 6.758 ( 0.646 -2.281 -3.440) 4.178 6.834 ( -1.668 0.712 -2.325) 2.949 7.379 ( -1.137 -2.572 -3.253) 4.300 8.830 ( -20.906 -9.211 -9.378) 24.695 9.031 ( -8.389 -15.433 15.455) 23.396 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 2.394 1.814 -0.370) 3.027 2.231 ( 8.093 12.553 0.069) 14.936 3.306 ( 14.401 11.310 -3.079) 18.568 5.135 ( 2.477 7.328 0.185) 7.738 6.171 ( 11.595 2.513 -0.899) 11.898 6.410 ( 3.511 10.715 -2.462) 11.541 6.574 ( -2.027 -0.516 5.644) 6.019 6.740 ( 0.061 -0.758 -0.492) 0.906 6.831 ( 1.470 2.593 -6.654) 7.291 7.321 ( 0.075 -3.001 -2.246) 3.749 8.358 ( -16.628 -5.475 -8.711) 19.554 8.912 ( -1.164 -9.873 17.957) 20.525 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.000 12.529 5.857) 13.830 1.835 ( -0.000 7.779 13.903) 15.931 2.043 ( -0.000 16.039 -7.273) 17.611 4.877 ( -0.000 2.834 0.005) 2.834 5.225 ( -0.000 19.107 5.782) 19.962 5.738 ( -0.000 6.137 1.940) 6.436 6.216 ( -0.000 17.977 -6.458) 19.102 6.851 ( 0.000 -6.508 2.310) 6.906 6.947 ( 0.000 -3.419 0.954) 3.550 7.457 ( 0.000 -1.699 -5.731) 5.977 9.134 ( 0.000 -4.886 4.312) 6.517 10.105 ( 0.000 -28.960 -5.167) 29.418 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 7.000 13.329 3.505) 15.458 1.854 ( -1.148 -2.423 5.879) 6.462 2.338 ( 7.988 26.931 -3.452) 28.302 4.936 ( 2.746 4.332 0.195) 5.133 5.466 ( 3.518 17.627 3.439) 18.301 5.921 ( 9.457 9.338 3.069) 13.640 6.391 ( 2.780 14.662 -3.542) 15.338 6.781 ( -1.354 -5.557 0.988) 5.804 6.904 ( -1.056 -3.149 -0.013) 3.321 7.415 ( -0.767 -1.875 -3.647) 4.172 9.057 ( -1.062 -12.803 6.702) 14.490 9.672 ( -14.154 -24.127 -9.176) 29.439 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.711 1.856 1.434) 2.451 1.953 ( 7.658 12.486 1.138) 14.692 2.770 ( 12.983 22.306 -1.050) 25.831 5.049 ( 3.395 6.565 0.556) 7.411 5.731 ( 8.591 12.911 0.139) 15.508 6.207 ( 8.649 12.137 0.864) 14.929 6.554 ( 2.761 7.143 1.670) 7.838 6.712 ( -0.625 -3.396 -2.590) 4.316 6.858 ( -1.177 -1.420 -0.315) 1.871 7.363 ( -1.454 -2.912 -1.677) 3.662 8.909 ( -1.422 -16.808 9.648) 19.433 9.125 ( -19.734 -15.489 -10.157) 27.065 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 1.478 1.807 0.134) 2.338 2.239 ( 7.809 15.041 -0.052) 16.948 3.193 ( 12.726 15.944 -0.981) 20.423 5.182 ( 2.700 8.631 0.244) 9.047 6.016 ( 10.815 9.103 -0.865) 14.163 6.447 ( 4.868 11.292 -0.868) 12.327 6.622 ( -0.894 0.955 6.659) 6.786 6.687 ( 2.106 -0.688 -7.035) 7.376 6.840 ( -0.355 1.048 -0.166) 1.119 7.290 ( -1.759 -4.471 -0.990) 4.906 8.592 ( -19.580 -6.472 -11.090) 23.415 8.826 ( 2.445 -15.989 14.821) 21.939 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.000 15.200 3.322) 15.559 1.839 ( 0.000 -3.274 0.838) 3.380 2.550 ( -0.000 28.110 -1.349) 28.142 4.942 ( -0.000 4.187 -0.923) 4.288 5.687 ( -0.000 21.690 4.689) 22.191 5.929 ( -0.000 9.431 5.850) 11.098 6.500 ( -0.000 12.722 -3.213) 13.121 6.744 ( 0.000 -5.146 2.313) 5.642 6.873 ( 0.000 -3.646 -1.430) 3.917 7.394 ( 0.000 -1.858 -1.591) 2.446 8.917 ( 0.000 -21.482 8.043) 22.939 9.529 ( 0.000 -18.561 -15.165) 23.968 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -0.679 1.024 -0.647) 1.388 1.944 ( 7.539 13.392 1.523) 15.443 2.859 ( 4.703 24.649 0.227) 25.094 5.027 ( 4.509 5.121 -0.629) 6.852 5.854 ( -2.771 17.578 2.836) 18.020 6.172 ( 9.663 11.825 4.365) 15.882 6.598 ( 0.851 6.683 -3.963) 7.816 6.700 ( -1.602 -2.653 4.389) 5.373 6.838 ( 0.675 -2.542 -1.558) 3.057 7.359 ( -1.415 -2.593 0.326) 2.972 8.721 ( 1.599 -24.118 9.756) 26.066 9.216 ( -10.875 -11.569 -17.279) 23.467 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 1.008 -1.197) 1.565 2.022 ( -0.000 14.716 1.117) 14.759 3.067 ( -0.000 22.473 1.827) 22.547 5.034 ( -0.000 5.415 -0.506) 5.438 6.107 ( -0.000 16.488 0.363) 16.492 6.181 ( -0.000 10.292 6.914) 12.399 6.604 ( 0.000 0.643 -7.082) 7.111 6.749 ( -0.000 1.859 10.450) 10.614 6.787 ( 0.000 -2.862 -3.606) 4.604 7.354 ( 0.000 -2.257 2.107) 3.087 8.493 ( 0.000 -22.464 8.276) 23.940 9.136 ( 0.000 -9.265 -19.244) 21.358 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.000 -0.000 6.523) 6.523 1.112 ( -0.000 -0.000 6.523) 6.523 2.077 ( -0.000 -0.000 14.178) 14.178 4.790 ( -0.000 -0.000 2.910) 2.910 4.790 ( -0.000 -0.000 2.910) 2.910 5.677 ( 0.000 0.000 -5.648) 5.648 5.677 ( 0.000 0.000 -5.648) 5.648 7.025 ( -0.000 -0.000 2.749) 2.749 7.025 ( -0.000 -0.000 2.749) 2.749 7.518 ( 0.000 0.000 -7.618) 7.618 9.063 ( -0.000 -0.000 3.036) 3.036 10.908 ( -0.000 -0.000 0.495) 0.495 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.177 4.144 2.897) 8.779 1.352 ( 17.615 10.170 7.175) 21.569 2.061 ( -4.443 -2.565 8.399) 9.842 4.794 ( 0.540 0.312 3.161) 3.222 4.949 ( 11.487 6.632 1.725) 13.376 5.743 ( 5.096 2.942 -7.159) 9.268 5.778 ( 11.586 6.689 -2.208) 13.560 6.980 ( -4.026 -2.325 2.044) 5.079 7.007 ( -2.325 -1.342 2.094) 3.404 7.484 ( -0.826 -0.477 -6.166) 6.240 9.122 ( 3.052 1.762 2.423) 4.276 10.653 ( -21.059 -12.158 0.782) 24.329 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 10.937 6.315 -0.176) 12.630 1.800 ( 8.108 4.681 14.243) 17.045 2.047 ( 11.429 6.599 -5.103) 14.150 4.841 ( 2.535 1.463 2.751) 4.017 5.299 ( 17.392 10.041 0.185) 20.084 5.856 ( 6.965 4.021 -7.941) 11.302 6.123 ( 16.437 9.490 0.504) 18.987 6.879 ( -4.546 -2.625 -0.012) 5.250 6.939 ( -3.935 -2.272 1.804) 4.889 7.438 ( -1.277 -0.737 -4.321) 4.566 9.160 ( -1.617 -0.934 2.133) 2.835 10.023 ( -31.205 -18.016 1.998) 36.088 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 12.769 7.372 -1.509) 14.822 1.812 ( -2.242 -1.294 5.277) 5.878 2.551 ( 24.524 14.159 -1.404) 28.352 4.927 ( 4.058 2.343 1.625) 4.959 5.720 ( 18.264 10.545 -1.113) 21.119 6.006 ( 8.318 4.802 -7.783) 12.363 6.462 ( 10.625 6.134 3.070) 12.647 6.785 ( -2.462 -1.422 -4.550) 5.365 6.852 ( -3.913 -2.259 2.423) 5.127 7.398 ( -1.189 -0.686 -2.365) 2.735 8.995 ( -15.211 -8.782 -5.587) 18.431 9.372 ( -21.679 -12.516 12.615) 28.032 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -0.000 6.558 5.054) 8.280 1.409 ( -0.000 22.351 2.312) 22.470 2.087 ( 0.000 -6.265 6.050) 8.710 4.832 ( -0.000 1.639 0.240) 1.656 4.923 ( -0.000 11.740 3.605) 12.281 5.653 ( -0.000 2.698 0.287) 2.713 5.831 ( -0.000 15.539 -6.353) 16.788 6.984 ( 0.000 -5.217 1.758) 5.505 7.014 ( 0.000 -2.470 1.404) 2.841 7.464 ( 0.000 -0.945 -4.486) 4.584 9.131 ( -0.000 3.661 1.651) 4.016 10.662 ( 0.000 -23.115 -0.139) 23.115 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 7.115 9.754 1.828) 12.211 1.769 ( 11.217 23.344 5.307) 26.437 2.000 ( -2.218 -5.194 -0.936) 5.725 4.859 ( 0.744 3.384 1.024) 3.613 5.158 ( 9.426 13.415 1.127) 16.434 5.771 ( 6.587 5.964 -0.382) 8.894 6.042 ( 7.383 16.863 -2.879) 18.632 6.904 ( -2.858 -5.646 0.868) 6.388 6.971 ( -1.968 -3.082 0.702) 3.724 7.433 ( -0.724 -1.222 -2.680) 3.033 9.171 ( 0.239 0.249 1.383) 1.425 10.230 ( -17.493 -28.254 -0.444) 33.233 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 8.705 11.557 -0.993) 14.503 1.870 ( -3.384 -2.213 3.114) 5.103 2.323 ( 19.924 20.856 -0.916) 28.858 4.930 ( 1.694 5.248 1.297) 5.665 5.496 ( 15.060 10.423 -1.851) 18.409 5.960 ( 5.778 11.240 -3.697) 13.168 6.360 ( 10.831 11.405 1.671) 15.817 6.794 ( -3.297 -4.650 -1.180) 5.821 6.900 ( -2.954 -2.450 0.732) 3.907 7.399 ( -0.932 -1.384 -0.823) 1.861 9.106 ( -6.761 -5.349 -1.655) 8.778 9.592 ( -20.846 -25.693 4.706) 33.419 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 12.257 3.250) 12.680 1.941 ( -0.000 10.706 -11.140) 15.451 1.965 ( -0.000 11.231 9.678) 14.826 4.866 ( -0.000 2.712 -1.765) 3.236 5.279 ( -0.000 19.723 3.686) 20.065 5.781 ( -0.000 7.327 5.556) 9.196 6.153 ( -0.000 18.977 -4.590) 19.525 6.871 ( 0.000 -6.344 1.356) 6.487 6.951 ( 0.000 -4.089 -0.369) 4.105 7.420 ( 0.000 -1.388 -0.909) 1.659 9.165 ( 0.000 -2.777 1.210) 3.029 10.055 ( 0.000 -33.446 -3.809) 33.662 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.000 -0.000 2.190) 2.190 1.160 ( -0.000 -0.000 2.190) 2.190 2.182 ( -0.000 -0.000 4.878) 4.878 4.813 ( -0.000 -0.000 1.118) 1.118 4.813 ( -0.000 -0.000 1.118) 1.118 5.633 ( 0.000 0.000 -2.063) 2.063 5.633 ( 0.000 0.000 -2.063) 2.063 7.046 ( -0.000 -0.000 0.949) 0.949 7.046 ( -0.000 -0.000 0.949) 0.949 7.461 ( 0.000 0.000 -2.677) 2.677 9.086 ( -0.000 -0.000 1.014) 1.014 10.912 ( -0.000 -0.000 0.175) 0.175 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.65e-04 1.65e-04 7.23e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 6.249 3.608 -1.177) 7.311 1.407 ( 18.879 10.900 2.629) 21.958 2.114 ( -6.176 -3.566 1.199) 7.231 4.822 ( 0.831 0.480 1.871) 2.103 4.952 ( 11.032 6.370 -1.315) 12.807 5.679 ( 3.915 2.261 -4.272) 6.220 5.781 ( 12.492 7.213 2.592) 14.656 6.992 ( -4.291 -2.477 0.193) 4.958 7.020 ( -2.292 -1.323 0.316) 2.666 7.444 ( -0.840 -0.485 -0.903) 1.325 9.138 ( 3.177 1.834 0.405) 3.691 10.659 ( -20.657 -11.927 0.431) 23.857 =================== 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 10.0 918.015 918.015 2131.899 -0.000 -0.000 -0.000 3/40500 20.0 425.588 425.588 474.033 -0.000 -0.000 -0.000 3/40500 30.0 219.119 219.119 187.757 -0.000 -0.000 -0.000 3/40500 40.0 118.562 118.562 73.472 0.000 -0.000 -0.000 3/40500 50.0 72.587 72.587 33.212 0.000 -0.000 -0.000 3/40500 60.0 48.888 48.888 18.351 0.000 -0.000 -0.000 3/40500 70.0 35.472 35.472 11.804 0.000 -0.000 -0.000 3/40500 80.0 27.297 27.297 8.442 0.000 -0.000 -0.000 3/40500 90.0 21.986 21.986 6.501 0.000 -0.000 -0.000 3/40500 100.0 18.340 18.340 5.276 0.000 -0.000 -0.000 3/40500 110.0 15.718 15.718 4.447 0.000 -0.000 -0.000 3/40500 120.0 13.758 13.758 3.855 0.000 -0.000 -0.000 3/40500 130.0 12.242 12.242 3.411 0.000 -0.000 -0.000 3/40500 140.0 11.039 11.039 3.067 0.000 -0.000 -0.000 3/40500 150.0 10.060 10.060 2.793 0.000 -0.000 -0.000 3/40500 160.0 9.250 9.250 2.568 0.000 -0.000 -0.000 3/40500 170.0 8.566 8.566 2.380 0.000 -0.000 -0.000 3/40500 180.0 7.983 7.983 2.220 0.000 -0.000 -0.000 3/40500 190.0 7.477 7.477 2.082 0.000 -0.000 -0.000 3/40500 200.0 7.036 7.036 1.962 0.000 -0.000 -0.000 3/40500 210.0 6.646 6.646 1.856 0.000 -0.000 -0.000 3/40500 220.0 6.300 6.300 1.762 0.000 -0.000 -0.000 3/40500 230.0 5.989 5.989 1.677 0.000 -0.000 -0.000 3/40500 240.0 5.710 5.710 1.601 0.000 -0.000 -0.000 3/40500 250.0 5.456 5.456 1.532 0.000 -0.000 -0.000 3/40500 260.0 5.225 5.225 1.469 0.000 -0.000 -0.000 3/40500 270.0 5.013 5.013 1.411 0.000 -0.000 -0.000 3/40500 280.0 4.819 4.819 1.358 0.000 -0.000 -0.000 3/40500 290.0 4.640 4.640 1.308 0.000 -0.000 -0.000 3/40500 300.0 4.474 4.474 1.263 0.000 -0.000 -0.000 3/40500 310.0 4.320 4.320 1.220 0.000 -0.000 -0.000 3/40500 320.0 4.176 4.176 1.181 0.000 -0.000 -0.000 3/40500 330.0 4.042 4.042 1.144 0.000 -0.000 -0.000 3/40500 340.0 3.917 3.917 1.109 0.000 -0.000 -0.000 3/40500 350.0 3.799 3.799 1.076 0.000 -0.000 -0.000 3/40500 360.0 3.689 3.689 1.046 0.000 -0.000 -0.000 3/40500 370.0 3.585 3.585 1.017 0.000 -0.000 -0.000 3/40500 380.0 3.486 3.486 0.990 0.000 -0.000 -0.000 3/40500 390.0 3.394 3.394 0.964 0.000 -0.000 -0.000 3/40500 400.0 3.306 3.306 0.939 0.000 -0.000 -0.000 3/40500 410.0 3.222 3.222 0.916 0.000 -0.000 -0.000 3/40500 420.0 3.143 3.143 0.894 0.000 -0.000 -0.000 3/40500 430.0 3.068 3.068 0.873 0.000 -0.000 -0.000 3/40500 440.0 2.996 2.996 0.852 0.000 -0.000 -0.000 3/40500 450.0 2.927 2.927 0.833 0.000 -0.000 -0.000 3/40500 460.0 2.862 2.862 0.815 0.000 -0.000 -0.000 3/40500 470.0 2.800 2.800 0.797 0.000 -0.000 -0.000 3/40500 480.0 2.740 2.740 0.781 0.000 -0.000 -0.000 3/40500 490.0 2.683 2.683 0.765 0.000 -0.000 -0.000 3/40500 500.0 2.628 2.628 0.749 0.000 -0.000 -0.000 3/40500 510.0 2.575 2.575 0.734 0.000 -0.000 -0.000 3/40500 520.0 2.525 2.525 0.720 0.000 -0.000 -0.000 3/40500 530.0 2.476 2.476 0.707 0.000 -0.000 -0.000 3/40500 540.0 2.430 2.430 0.693 0.000 -0.000 -0.000 3/40500 550.0 2.385 2.385 0.681 0.000 -0.000 -0.000 3/40500 560.0 2.342 2.342 0.668 0.000 -0.000 -0.000 3/40500 570.0 2.300 2.300 0.657 0.000 -0.000 -0.000 3/40500 580.0 2.260 2.260 0.645 0.000 -0.000 -0.000 3/40500 590.0 2.221 2.221 0.634 0.000 -0.000 -0.000 3/40500 600.0 2.183 2.183 0.624 0.000 -0.000 -0.000 3/40500 610.0 2.147 2.147 0.613 0.000 -0.000 -0.000 3/40500 620.0 2.112 2.112 0.604 0.000 -0.000 -0.000 3/40500 630.0 2.078 2.078 0.594 0.000 -0.000 -0.000 3/40500 640.0 2.045 2.045 0.585 0.000 -0.000 -0.000 3/40500 650.0 2.014 2.014 0.576 0.000 -0.000 -0.000 3/40500 660.0 1.983 1.983 0.567 0.000 -0.000 -0.000 3/40500 670.0 1.953 1.953 0.558 0.000 -0.000 -0.000 3/40500 680.0 1.924 1.924 0.550 0.000 -0.000 -0.000 3/40500 690.0 1.896 1.896 0.542 0.000 -0.000 -0.000 3/40500 700.0 1.868 1.868 0.534 0.000 -0.000 -0.000 3/40500 710.0 1.842 1.842 0.527 0.000 -0.000 -0.000 3/40500 720.0 1.816 1.816 0.520 0.000 -0.000 -0.000 3/40500 730.0 1.791 1.791 0.512 0.000 -0.000 -0.000 3/40500 740.0 1.767 1.767 0.505 0.000 -0.000 -0.000 3/40500 750.0 1.743 1.743 0.499 0.000 -0.000 -0.000 3/40500 760.0 1.720 1.720 0.492 0.000 -0.000 -0.000 3/40500 770.0 1.697 1.697 0.486 0.000 -0.000 -0.000 3/40500 780.0 1.675 1.675 0.480 0.000 -0.000 -0.000 3/40500 790.0 1.654 1.654 0.473 0.000 -0.000 -0.000 3/40500 800.0 1.633 1.633 0.468 0.000 -0.000 -0.000 3/40500 810.0 1.613 1.613 0.462 0.000 -0.000 -0.000 3/40500 820.0 1.593 1.593 0.456 0.000 -0.000 -0.000 3/40500 830.0 1.574 1.574 0.451 0.000 -0.000 -0.000 3/40500 840.0 1.555 1.555 0.445 0.000 -0.000 -0.000 3/40500 850.0 1.537 1.537 0.440 0.000 -0.000 -0.000 3/40500 860.0 1.519 1.519 0.435 0.000 -0.000 -0.000 3/40500 870.0 1.501 1.501 0.430 0.000 -0.000 -0.000 3/40500 880.0 1.484 1.484 0.425 0.000 -0.000 -0.000 3/40500 890.0 1.467 1.467 0.420 0.000 -0.000 -0.000 3/40500 900.0 1.451 1.451 0.416 0.000 -0.000 -0.000 3/40500 910.0 1.435 1.435 0.411 0.000 -0.000 -0.000 3/40500 920.0 1.419 1.419 0.407 0.000 -0.000 -0.000 3/40500 930.0 1.404 1.404 0.402 0.000 -0.000 -0.000 3/40500 940.0 1.389 1.389 0.398 0.000 -0.000 -0.000 3/40500 950.0 1.374 1.374 0.394 0.000 -0.000 -0.000 3/40500 960.0 1.360 1.360 0.390 0.000 -0.000 -0.000 3/40500 970.0 1.346 1.346 0.386 0.000 -0.000 -0.000 3/40500 980.0 1.332 1.332 0.382 0.000 -0.000 -0.000 3/40500 990.0 1.319 1.319 0.378 0.000 -0.000 -0.000 3/40500 1000.0 1.306 1.306 0.374 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:43:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|