----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:45:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.157947478825407 1.245891557796920 7.898112683333324 b -2.157947478825402 1.245891557796920 7.898112683333324 c 0.000000000000001 -2.491783115593844 7.898112683333324 Atomic positions (fractional): *1 Se 0.23394228926420 0.23394228926420 0.23394228926420 78.960 2 Se 0.76605771073580 0.76605771073580 0.76605771073580 78.960 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.315894957650809 0.000000000000000 0.000000000000000 b -2.157947478825403 3.737674673390764 0.000000000000000 c 0.000000000000000 0.000000000000000 23.694338049999999 Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23394228926420 78.960 > 1 2 Se 0.66666666666667 0.33333333333333 0.09939104406913 78.960 > 2 3 Se 0.66666666666667 0.33333333333333 0.56727562259754 78.960 > 1 4 Se 0.33333333333333 0.66666666666667 0.43272437740246 78.960 > 2 5 Se 0.33333333333333 0.66666666666667 0.90060895593087 78.960 > 1 6 Se 0.00000000000000 0.00000000000000 0.76605771073580 78.960 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Nd 0.33333333333333 0.66666666666667 0.16666666666667 144.242 > 4 11 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 12 Nd 0.66666666666667 0.33333333333333 0.83333333333333 144.242 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.947684872952429 0.000000000000000 0.000000000000000 b -6.473842436476209 11.213024020172293 0.000000000000000 c 0.000000000000000 0.000000000000000 23.694338049999999 Atomic positions (fractional): *1 Se 0.00000000000000 0.00000000000000 0.23394228926420 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23394228926420 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23394228926420 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23394228926420 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23394228926420 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23394228926420 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23394228926420 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23394228926420 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23394228926420 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.09939104406913 78.960 > 2 11 Se 0.55555555555556 0.11111111111111 0.09939104406913 78.960 > 2 12 Se 0.88888888888889 0.11111111111111 0.09939104406913 78.960 > 2 13 Se 0.22222222222222 0.44444444444444 0.09939104406913 78.960 > 2 14 Se 0.55555555555556 0.44444444444444 0.09939104406913 78.960 > 2 15 Se 0.88888888888889 0.44444444444444 0.09939104406913 78.960 > 2 16 Se 0.22222222222222 0.77777777777778 0.09939104406913 78.960 > 2 17 Se 0.55555555555556 0.77777777777778 0.09939104406913 78.960 > 2 18 Se 0.88888888888889 0.77777777777778 0.09939104406913 78.960 > 2 19 Se 0.22222222222222 0.11111111111111 0.56727562259754 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56727562259754 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56727562259754 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56727562259754 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56727562259754 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56727562259754 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56727562259754 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56727562259754 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56727562259754 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43272437740246 78.960 > 2 29 Se 0.44444444444444 0.22222222222222 0.43272437740246 78.960 > 2 30 Se 0.77777777777778 0.22222222222222 0.43272437740246 78.960 > 2 31 Se 0.11111111111111 0.55555555555556 0.43272437740246 78.960 > 2 32 Se 0.44444444444444 0.55555555555556 0.43272437740246 78.960 > 2 33 Se 0.77777777777778 0.55555555555556 0.43272437740246 78.960 > 2 34 Se 0.11111111111111 0.88888888888889 0.43272437740246 78.960 > 2 35 Se 0.44444444444444 0.88888888888889 0.43272437740246 78.960 > 2 36 Se 0.77777777777778 0.88888888888889 0.43272437740246 78.960 > 2 37 Se 0.11111111111111 0.22222222222222 0.90060895593087 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.90060895593087 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.90060895593087 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.90060895593087 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.90060895593087 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.90060895593087 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.90060895593087 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.90060895593087 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.90060895593087 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76605771073580 78.960 > 2 47 Se 0.33333333333333 0.00000000000000 0.76605771073580 78.960 > 2 48 Se 0.66666666666667 0.00000000000000 0.76605771073580 78.960 > 2 49 Se 0.00000000000000 0.33333333333333 0.76605771073580 78.960 > 2 50 Se 0.33333333333333 0.33333333333333 0.76605771073580 78.960 > 2 51 Se 0.66666666666667 0.33333333333333 0.76605771073580 78.960 > 2 52 Se 0.00000000000000 0.66666666666667 0.76605771073580 78.960 > 2 53 Se 0.33333333333333 0.66666666666667 0.76605771073580 78.960 > 2 54 Se 0.66666666666667 0.66666666666667 0.76605771073580 78.960 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 4 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 4 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 4 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 4 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 4 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 4 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 4 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 4 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 4 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 4 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 4 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 4 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 4 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 4 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 4 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 4 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 4 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 4 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 4 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 4 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 4 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 4 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 4 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 4 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 4 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 4 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8192231 0.0000000 0.0000000 0.0000000 6.8192231 0.0000000 0.0000000 0.0000000 4.6387791 -------------------------- Born effective charges -------------------------- 1 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 2 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 3 Rb 1.0937566 -0.0000000 0.0000000 0.0000000 1.0937566 0.0000000 0.0000000 0.0000000 1.8979468 4 Nd 4.8645110 -0.0000000 0.0000000 0.0000000 4.8645110 0.0000000 0.0000000 0.0000000 1.8438675 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 80 / 80 - Time: 0.164 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.179 --------------------------------- 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: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:45:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.157947478825407 1.245891557796920 7.898112683333324 b -2.157947478825402 1.245891557796920 7.898112683333324 c 0.000000000000001 -2.491783115593844 7.898112683333324 Atomic positions (fractional): 1 Se 0.23394228926420 0.23394228926420 0.23394228926420 78.960 2 Se 0.76605771073580 0.76605771073580 0.76605771073580 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.947684872952429 0.000000000000000 0.000000000000000 b -6.473842436476209 11.213024020172293 0.000000000000000 c 0.000000000000000 0.000000000000000 23.694338049999999 Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23394228926420 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23394228926420 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23394228926420 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23394228926420 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23394228926420 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23394228926420 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23394228926420 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23394228926420 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23394228926420 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.09939104406913 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.09939104406913 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.09939104406913 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.09939104406913 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.09939104406913 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.09939104406913 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.09939104406913 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.09939104406913 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.09939104406913 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56727562259754 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56727562259754 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56727562259754 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56727562259754 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56727562259754 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56727562259754 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56727562259754 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56727562259754 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56727562259754 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43272437740246 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43272437740246 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43272437740246 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43272437740246 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43272437740246 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43272437740246 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43272437740246 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43272437740246 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43272437740246 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.90060895593087 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.90060895593087 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.90060895593087 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.90060895593087 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.90060895593087 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.90060895593087 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.90060895593087 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.90060895593087 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.90060895593087 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76605771073580 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76605771073580 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76605771073580 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76605771073580 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76605771073580 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76605771073580 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76605771073580 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76605771073580 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76605771073580 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8192231 0.0000000 0.0000000 0.0000000 6.8192231 0.0000000 0.0000000 0.0000000 4.6387791 -------------------------- Born effective charges -------------------------- 1 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 2 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 3 Rb 1.0937566 -0.0000000 0.0000000 0.0000000 1.0937566 0.0000000 0.0000000 0.0000000 1.8979468 4 Nd 4.8645110 -0.0000000 0.0000000 0.0000000 4.8645110 0.0000000 0.0000000 0.0000000 1.8438675 ---------------------------------------------------------------------------- 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[ 55, 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 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:45:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:45:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.157947478825407 1.245891557796920 7.898112683333324 b -2.157947478825402 1.245891557796920 7.898112683333324 c 0.000000000000001 -2.491783115593844 7.898112683333324 Atomic positions (fractional): 1 Se 0.23394228926420 0.23394228926420 0.23394228926420 78.960 2 Se 0.76605771073580 0.76605771073580 0.76605771073580 78.960 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Nd 0.50000000000000 0.50000000000000 0.50000000000000 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.947684872952429 0.000000000000000 0.000000000000000 b -6.473842436476209 11.213024020172293 0.000000000000000 c 0.000000000000000 0.000000000000000 23.694338049999999 Atomic positions (fractional): 1 Se 0.00000000000000 0.00000000000000 0.23394228926420 78.960 > 1 2 Se 0.33333333333333 0.00000000000000 0.23394228926420 78.960 > 1 3 Se 0.66666666666667 0.00000000000000 0.23394228926420 78.960 > 1 4 Se 0.00000000000000 0.33333333333333 0.23394228926420 78.960 > 1 5 Se 0.33333333333333 0.33333333333333 0.23394228926420 78.960 > 1 6 Se 0.66666666666667 0.33333333333333 0.23394228926420 78.960 > 1 7 Se 0.00000000000000 0.66666666666667 0.23394228926420 78.960 > 1 8 Se 0.33333333333333 0.66666666666667 0.23394228926420 78.960 > 1 9 Se 0.66666666666667 0.66666666666667 0.23394228926420 78.960 > 1 10 Se 0.22222222222222 0.11111111111111 0.09939104406913 78.960 > 10 11 Se 0.55555555555556 0.11111111111111 0.09939104406913 78.960 > 10 12 Se 0.88888888888889 0.11111111111111 0.09939104406913 78.960 > 10 13 Se 0.22222222222222 0.44444444444444 0.09939104406913 78.960 > 10 14 Se 0.55555555555556 0.44444444444444 0.09939104406913 78.960 > 10 15 Se 0.88888888888889 0.44444444444444 0.09939104406913 78.960 > 10 16 Se 0.22222222222222 0.77777777777778 0.09939104406913 78.960 > 10 17 Se 0.55555555555556 0.77777777777778 0.09939104406913 78.960 > 10 18 Se 0.88888888888889 0.77777777777778 0.09939104406913 78.960 > 10 19 Se 0.22222222222222 0.11111111111111 0.56727562259754 78.960 > 1 20 Se 0.55555555555556 0.11111111111111 0.56727562259754 78.960 > 1 21 Se 0.88888888888889 0.11111111111111 0.56727562259754 78.960 > 1 22 Se 0.22222222222222 0.44444444444444 0.56727562259754 78.960 > 1 23 Se 0.55555555555556 0.44444444444444 0.56727562259754 78.960 > 1 24 Se 0.88888888888889 0.44444444444444 0.56727562259754 78.960 > 1 25 Se 0.22222222222222 0.77777777777778 0.56727562259754 78.960 > 1 26 Se 0.55555555555556 0.77777777777778 0.56727562259754 78.960 > 1 27 Se 0.88888888888889 0.77777777777778 0.56727562259754 78.960 > 1 28 Se 0.11111111111111 0.22222222222222 0.43272437740246 78.960 > 10 29 Se 0.44444444444444 0.22222222222222 0.43272437740246 78.960 > 10 30 Se 0.77777777777778 0.22222222222222 0.43272437740246 78.960 > 10 31 Se 0.11111111111111 0.55555555555556 0.43272437740246 78.960 > 10 32 Se 0.44444444444444 0.55555555555556 0.43272437740246 78.960 > 10 33 Se 0.77777777777778 0.55555555555556 0.43272437740246 78.960 > 10 34 Se 0.11111111111111 0.88888888888889 0.43272437740246 78.960 > 10 35 Se 0.44444444444444 0.88888888888889 0.43272437740246 78.960 > 10 36 Se 0.77777777777778 0.88888888888889 0.43272437740246 78.960 > 10 37 Se 0.11111111111111 0.22222222222222 0.90060895593087 78.960 > 1 38 Se 0.44444444444444 0.22222222222222 0.90060895593087 78.960 > 1 39 Se 0.77777777777778 0.22222222222222 0.90060895593087 78.960 > 1 40 Se 0.11111111111111 0.55555555555556 0.90060895593087 78.960 > 1 41 Se 0.44444444444444 0.55555555555556 0.90060895593087 78.960 > 1 42 Se 0.77777777777778 0.55555555555556 0.90060895593087 78.960 > 1 43 Se 0.11111111111111 0.88888888888889 0.90060895593087 78.960 > 1 44 Se 0.44444444444444 0.88888888888889 0.90060895593087 78.960 > 1 45 Se 0.77777777777778 0.88888888888889 0.90060895593087 78.960 > 1 46 Se 0.00000000000000 0.00000000000000 0.76605771073580 78.960 > 10 47 Se 0.33333333333333 0.00000000000000 0.76605771073580 78.960 > 10 48 Se 0.66666666666667 0.00000000000000 0.76605771073580 78.960 > 10 49 Se 0.00000000000000 0.33333333333333 0.76605771073580 78.960 > 10 50 Se 0.33333333333333 0.33333333333333 0.76605771073580 78.960 > 10 51 Se 0.66666666666667 0.33333333333333 0.76605771073580 78.960 > 10 52 Se 0.00000000000000 0.66666666666667 0.76605771073580 78.960 > 10 53 Se 0.33333333333333 0.66666666666667 0.76605771073580 78.960 > 10 54 Se 0.66666666666667 0.66666666666667 0.76605771073580 78.960 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Nd 0.11111111111111 0.22222222222222 0.16666666666667 144.242 > 82 83 Nd 0.44444444444444 0.22222222222222 0.16666666666667 144.242 > 82 84 Nd 0.77777777777778 0.22222222222222 0.16666666666667 144.242 > 82 85 Nd 0.11111111111111 0.55555555555556 0.16666666666667 144.242 > 82 86 Nd 0.44444444444444 0.55555555555556 0.16666666666667 144.242 > 82 87 Nd 0.77777777777778 0.55555555555556 0.16666666666667 144.242 > 82 88 Nd 0.11111111111111 0.88888888888889 0.16666666666667 144.242 > 82 89 Nd 0.44444444444444 0.88888888888889 0.16666666666667 144.242 > 82 90 Nd 0.77777777777778 0.88888888888889 0.16666666666667 144.242 > 82 91 Nd 0.00000000000000 0.00000000000000 0.50000000000000 144.242 > 82 92 Nd 0.33333333333333 0.00000000000000 0.50000000000000 144.242 > 82 93 Nd 0.66666666666667 0.00000000000000 0.50000000000000 144.242 > 82 94 Nd 0.00000000000000 0.33333333333333 0.50000000000000 144.242 > 82 95 Nd 0.33333333333333 0.33333333333333 0.50000000000000 144.242 > 82 96 Nd 0.66666666666667 0.33333333333333 0.50000000000000 144.242 > 82 97 Nd 0.00000000000000 0.66666666666667 0.50000000000000 144.242 > 82 98 Nd 0.33333333333333 0.66666666666667 0.50000000000000 144.242 > 82 99 Nd 0.66666666666667 0.66666666666667 0.50000000000000 144.242 > 82 100 Nd 0.22222222222222 0.11111111111111 0.83333333333333 144.242 > 82 101 Nd 0.55555555555556 0.11111111111111 0.83333333333333 144.242 > 82 102 Nd 0.88888888888889 0.11111111111111 0.83333333333333 144.242 > 82 103 Nd 0.22222222222222 0.44444444444444 0.83333333333333 144.242 > 82 104 Nd 0.55555555555556 0.44444444444444 0.83333333333333 144.242 > 82 105 Nd 0.88888888888889 0.44444444444444 0.83333333333333 144.242 > 82 106 Nd 0.22222222222222 0.77777777777778 0.83333333333333 144.242 > 82 107 Nd 0.55555555555556 0.77777777777778 0.83333333333333 144.242 > 82 108 Nd 0.88888888888889 0.77777777777778 0.83333333333333 144.242 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8192231 0.0000000 0.0000000 0.0000000 6.8192231 0.0000000 0.0000000 0.0000000 4.6387791 -------------------------- Born effective charges -------------------------- 1 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 2 Se -2.9791338 0.0000000 0.0000000 0.0000000 -2.9791338 0.0000000 0.0000000 0.0000000 -1.8709071 3 Rb 1.0937566 -0.0000000 0.0000000 0.0000000 1.0937566 0.0000000 0.0000000 0.0000000 1.8979468 4 Nd 4.8645110 -0.0000000 0.0000000 0.0000000 4.8645110 0.0000000 0.0000000 0.0000000 1.8438675 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 14 ] 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: 0.83, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 288 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 2.038 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 3.739 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 16.079 9.283 -4.857) 19.191 0.381 ( 17.768 10.258 -4.743) 21.058 0.740 ( 31.388 18.122 12.235) 38.253 2.042 ( 0.186 0.107 1.071) 1.092 2.070 ( 3.030 1.749 -2.756) 4.454 3.073 ( -2.397 -1.384 0.222) 2.777 3.551 ( 0.540 0.312 0.338) 0.710 3.728 ( -0.942 -0.544 -0.211) 1.107 3.783 ( 3.608 2.083 0.841) 4.250 4.568 ( -2.266 -1.309 -1.182) 2.872 4.947 ( -4.083 -2.357 -4.306) 6.385 5.719 ( -2.082 -1.202 -4.921) 5.477 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 16.721 9.654 -5.045) 19.956 0.751 ( 17.119 9.884 -6.161) 20.705 1.448 ( 29.364 16.953 10.663) 35.544 2.052 ( 0.267 0.154 2.190) 2.211 2.140 ( 4.099 2.367 -5.770) 7.463 3.006 ( -3.484 -2.012 0.722) 4.088 3.572 ( 1.268 0.732 0.507) 1.549 3.700 ( -1.366 -0.789 -0.399) 1.627 3.885 ( 4.847 2.799 1.760) 5.867 4.501 ( -3.214 -1.856 -1.626) 4.052 4.791 ( -9.830 -5.675 3.639) 11.920 5.631 ( -4.034 -2.329 -7.815) 9.099 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 16.713 9.649 -5.493) 20.065 1.093 ( 15.657 9.040 -8.156) 19.834 2.066 ( 0.205 0.119 3.424) 3.432 2.084 ( 24.728 14.276 9.192) 29.996 2.206 ( 4.094 2.364 -8.883) 10.063 2.936 ( -3.424 -1.977 4.827) 6.239 3.610 ( 2.029 1.171 0.605) 2.419 3.671 ( -1.034 -0.597 -0.679) 1.374 3.986 ( 3.377 1.950 1.786) 4.290 4.428 ( -2.664 -1.538 -1.802) 3.565 4.545 ( -13.362 -7.715 5.363) 16.334 5.500 ( -5.455 -3.150 -8.899) 10.903 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 15.195 8.773 -6.232) 18.619 1.387 ( 13.413 7.744 -10.024) 18.448 2.081 ( 0.031 0.018 4.806) 4.806 2.253 ( 3.240 1.871 -5.052) 6.286 2.576 ( 15.420 8.903 2.411) 17.968 2.901 ( -0.607 -0.351 10.408) 10.431 3.647 ( -0.103 -0.059 0.724) 0.734 3.669 ( 2.322 1.341 -1.020) 2.869 4.032 ( 0.241 0.139 0.537) 0.605 4.256 ( -13.460 -7.771 4.681) 16.232 4.386 ( -0.207 -0.119 -2.164) 2.177 5.345 ( -6.135 -3.542 -7.954) 10.651 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 10.914 6.301 -10.220) 16.225 1.657 ( 11.765 6.793 -6.922) 15.247 2.096 ( -0.177 -0.102 6.033) 6.037 2.326 ( 4.425 2.555 -2.043) 5.503 2.686 ( -3.695 -2.134 6.805) 8.032 3.026 ( 6.136 3.543 4.787) 8.551 3.646 ( 0.161 0.093 -0.114) 0.218 3.725 ( 2.492 1.439 -0.275) 2.891 3.986 ( -5.922 -3.419 1.936) 7.107 4.029 ( -5.523 -3.189 -0.023) 6.378 4.426 ( 4.549 2.627 -1.245) 5.399 5.184 ( -6.620 -3.822 -5.688) 9.528 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 7.857 4.536 -7.286) 11.635 1.841 ( 6.495 3.750 -5.810) 9.487 2.109 ( -0.224 -0.129 5.386) 5.392 2.420 ( 3.468 2.002 -0.382) 4.023 2.589 ( -5.436 -3.139 8.078) 10.231 3.085 ( -0.802 -0.463 -0.632) 1.121 3.652 ( 0.301 0.174 -0.142) 0.375 3.770 ( 1.505 0.869 -0.131) 1.742 3.881 ( -2.710 -1.565 2.165) 3.805 3.952 ( -2.405 -1.389 -1.913) 3.372 4.572 ( 8.144 4.702 0.413) 9.414 5.015 ( -7.364 -4.252 -3.409) 9.161 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 -0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.442 ( -0.000 -0.000 0.000) 0.000 2.552 ( 0.000 0.000 -0.000) 0.000 3.059 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.860 ( -0.000 -0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.714 ( -0.000 -0.000 -0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 0.000 18.000 13.126) 22.278 0.451 ( 0.000 21.261 7.121) 22.421 0.695 ( 0.000 34.419 4.832) 34.756 2.022 ( 0.000 -0.639 -3.393) 3.453 2.083 ( 0.000 4.401 0.131) 4.403 3.070 ( -0.000 -3.605 -0.498) 3.639 3.546 ( 0.000 0.417 -0.665) 0.785 3.733 ( -0.000 -0.875 0.887) 1.246 3.775 ( 0.000 3.802 -0.850) 3.896 4.561 ( 0.000 -2.533 -3.545) 4.357 4.905 ( 0.000 -1.447 -11.761) 11.850 5.729 ( 0.000 -1.128 -2.654) 2.883 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 2.092 16.565 9.159) 19.043 0.772 ( 6.262 23.068 -2.423) 24.025 1.248 ( 21.576 25.905 9.555) 35.041 2.024 ( 2.321 -0.870 -3.681) 4.438 2.133 ( 0.165 5.408 -1.283) 5.560 3.014 ( -1.312 -4.154 -1.662) 4.663 3.557 ( 0.930 0.431 -0.300) 1.068 3.714 ( -1.145 -0.782 0.418) 1.449 3.850 ( 3.685 4.111 0.474) 5.541 4.508 ( -1.405 -3.274 -3.644) 5.096 4.835 ( -2.281 -7.784 -0.017) 8.111 5.659 ( -4.607 -1.893 -5.363) 7.319 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 10.598 12.759 2.727) 16.809 1.082 ( 6.957 21.155 -5.577) 22.957 1.867 ( 22.179 19.299 7.109) 30.247 2.060 ( 3.563 0.701 -0.711) 3.701 2.177 ( 0.233 4.813 -4.109) 6.333 2.951 ( -1.016 -4.285 0.955) 4.506 3.583 ( 1.797 0.275 0.102) 1.821 3.688 ( -1.374 -0.156 0.029) 1.383 3.954 ( 3.804 2.993 1.358) 5.028 4.439 ( -1.875 -2.928 -3.054) 4.628 4.672 ( -8.211 -9.172 4.993) 13.284 5.523 ( -5.740 -3.784 -8.102) 10.626 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 12.844 9.628 -1.892) 16.163 1.369 ( 7.251 18.250 -7.216) 20.922 2.090 ( 2.275 1.420 0.186) 2.689 2.207 ( 1.803 2.443 -4.093) 5.096 2.422 ( 17.391 15.297 4.449) 23.585 2.916 ( 0.379 -3.345 6.041) 6.916 3.622 ( 2.644 -0.267 0.621) 2.729 3.669 ( -1.153 0.850 -0.435) 1.497 4.024 ( 1.600 1.001 0.508) 1.955 4.381 ( -1.303 -1.787 -2.862) 3.617 4.435 ( -12.285 -6.810 5.890) 15.231 5.359 ( -5.172 -5.934 -8.512) 11.594 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 11.986 6.578 -5.484) 14.731 1.625 ( 6.792 15.244 -7.388) 18.251 2.132 ( -0.247 2.446 3.895) 4.606 2.268 ( 4.244 2.533 -2.950) 5.756 2.705 ( 3.244 2.329 2.150) 4.536 2.982 ( 5.827 3.258 7.830) 10.290 3.648 ( 0.191 -0.482 1.327) 1.425 3.683 ( 2.391 1.067 -0.922) 2.776 4.024 ( -1.361 -0.910 -1.240) 2.054 4.181 ( -13.124 -2.433 3.966) 13.924 4.379 ( 2.346 0.805 -1.856) 3.098 5.195 ( -4.085 -7.390 -6.633) 10.738 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 10.265 4.115 -6.554) 12.855 1.831 ( 4.720 11.846 -6.611) 14.364 2.153 ( -1.504 2.108 5.447) 6.031 2.370 ( 4.994 2.850 -0.640) 5.786 2.682 ( -4.857 -1.774 5.380) 7.462 3.094 ( 0.909 1.704 1.646) 2.538 3.651 ( 0.121 0.233 0.853) 0.893 3.737 ( 2.886 0.723 -0.238) 2.985 3.969 ( -2.548 -1.514 -1.975) 3.562 4.000 ( -9.279 2.115 2.075) 9.740 4.476 ( 7.359 3.032 -0.433) 7.971 5.039 ( -4.067 -8.001 -4.107) 9.871 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 6.590 1.027 -4.512) 8.053 1.960 ( 1.170 7.998 -3.895) 8.973 2.151 ( -2.398 0.929 4.220) 4.942 2.453 ( 1.601 1.720 -0.207) 2.359 2.594 ( -5.262 0.550 2.344) 5.787 3.085 ( -1.942 0.958 1.050) 2.406 3.658 ( 0.036 0.276 0.349) 0.446 3.780 ( 1.280 0.587 -0.191) 1.421 3.919 ( -3.867 2.634 -0.369) 4.693 3.924 ( -1.908 0.854 0.230) 2.103 4.647 ( 8.261 2.274 0.692) 8.596 4.884 ( -3.824 -7.312 -1.961) 8.481 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -1.135 -4.173 1.683) 4.640 1.987 ( -4.690 3.904 1.953) 6.407 2.124 ( -2.189 1.220 -1.346) 2.845 2.453 ( -2.137 -0.670 -0.184) 2.247 2.556 ( -0.702 4.287 -5.818) 7.261 3.095 ( 0.014 2.380 3.152) 3.949 3.655 ( -0.338 -0.356 -0.274) 0.562 3.781 ( -1.102 -0.708 -0.008) 1.310 3.912 ( -1.678 6.202 -1.152) 6.527 3.933 ( 1.566 0.822 1.576) 2.370 4.639 ( -5.983 -5.935 -1.015) 8.488 4.903 ( 9.295 0.104 2.231) 9.559 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -7.354 -7.871 6.737) 12.705 1.891 ( -11.356 1.431 6.567) 13.196 2.102 ( -1.410 2.726 -5.620) 6.403 2.373 ( -4.033 -3.026 0.020) 5.042 2.620 ( 3.981 5.113 -8.211) 10.460 3.090 ( -4.620 -0.480 0.715) 4.700 3.644 ( 0.047 -0.909 -0.771) 1.193 3.740 ( -2.042 -1.811 0.340) 2.750 3.978 ( 1.360 8.731 -1.628) 8.985 3.990 ( 3.158 1.866 1.422) 3.934 4.479 ( -5.565 -4.536 0.182) 7.182 5.077 ( 9.980 -0.246 4.097) 10.791 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -11.701 -9.453 7.183) 16.670 1.694 ( -15.978 0.961 7.665) 17.748 2.090 ( -1.487 2.748 -5.269) 6.125 2.291 ( -2.682 -2.683 2.113) 4.343 2.684 ( -0.881 1.026 -2.797) 3.107 2.912 ( -10.257 -4.175 -7.303) 13.265 3.636 ( 0.488 -1.381 -1.162) 1.869 3.693 ( -1.935 -0.984 1.105) 2.436 4.032 ( 0.666 0.796 0.434) 1.125 4.148 ( 7.834 9.905 -3.171) 13.020 4.394 ( -1.373 -1.559 1.499) 2.562 5.252 ( 9.640 -0.171 5.749) 11.225 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -15.166 -9.673 5.303) 18.753 1.436 ( -19.252 1.588 7.277) 20.642 2.072 ( -1.590 1.529 -3.532) 4.164 2.229 ( -4.379 -3.365 -0.031) 5.522 2.408 ( -22.602 -6.199 1.614) 23.492 2.854 ( 4.957 0.286 -7.293) 8.823 3.614 ( -0.681 -2.139 -1.041) 2.474 3.676 ( -0.453 0.918 1.097) 1.500 4.017 ( -2.355 -0.724 -0.950) 2.641 4.384 ( 8.869 6.234 -4.898) 11.896 4.408 ( 4.792 1.663 2.658) 5.726 5.425 ( 8.742 0.587 6.073) 10.661 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -16.768 -7.602 3.094) 18.669 1.134 ( -21.742 2.239 5.441) 22.524 1.804 ( -30.187 -7.833 -5.634) 31.692 2.055 ( -1.181 0.401 -2.015) 2.369 2.216 ( -4.764 -0.939 4.100) 6.355 2.937 ( 5.600 0.492 -2.007) 5.970 3.580 ( -1.038 -1.071 -0.499) 1.573 3.691 ( 0.721 0.712 0.527) 1.142 3.943 ( -4.741 -1.141 -1.090) 4.997 4.456 ( 3.653 0.622 0.494) 3.738 4.638 ( 12.060 3.687 -2.296) 12.818 5.580 ( 6.842 0.899 4.208) 8.083 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -16.779 0.000 0.000) 16.779 0.787 ( -23.103 0.000 0.000) 23.103 1.201 ( -34.942 0.000 0.000) 34.942 2.041 ( -0.407 0.000 0.000) 0.407 2.138 ( -4.800 0.000 0.000) 4.800 3.022 ( 4.396 -0.000 -0.000) 4.396 3.559 ( -0.825 0.000 0.000) 0.825 3.712 ( 1.221 -0.000 -0.000) 1.221 3.848 ( -5.339 0.000 0.000) 5.339 4.524 ( 3.745 -0.000 -0.000) 3.745 4.836 ( 9.865 -0.000 -0.000) 9.865 5.685 ( 4.297 -0.000 -0.000) 4.297 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 0.000 18.550 11.828) 22.000 0.895 ( 0.000 20.840 6.264) 21.761 1.365 ( 0.000 32.514 4.071) 32.768 1.975 ( 0.000 -1.196 -6.131) 6.246 2.190 ( 0.000 6.397 -0.843) 6.453 2.968 ( -0.000 -5.709 -2.952) 6.427 3.555 ( 0.000 1.155 -1.098) 1.594 3.719 ( -0.000 -1.196 1.465) 1.891 3.859 ( 0.000 5.113 -1.011) 5.212 4.466 ( 0.000 -4.188 -5.638) 7.023 4.763 ( -0.000 -9.730 1.239) 9.808 5.673 ( 0.000 -2.925 -3.256) 4.377 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -3.704 19.245 11.290) 22.618 1.183 ( 4.762 20.363 -0.183) 20.913 1.798 ( 12.980 25.756 4.167) 29.141 1.979 ( 4.286 -0.299 -4.833) 6.466 2.237 ( -1.057 6.339 -2.661) 6.956 2.903 ( 0.247 -6.277 -1.303) 6.416 3.568 ( 0.513 1.114 -0.612) 1.370 3.705 ( -0.760 -0.494 0.857) 1.247 3.931 ( 2.911 3.918 -0.073) 4.881 4.408 ( 0.032 -4.401 -4.924) 6.605 4.658 ( -1.594 -11.367 3.708) 12.062 5.575 ( -6.032 -3.843 -4.497) 8.449 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 1.349 17.051 7.242) 18.574 1.434 ( 4.407 18.277 -4.504) 19.333 2.021 ( 5.796 2.060 -6.346) 8.838 2.213 ( 2.914 4.705 2.936) 6.264 2.349 ( 10.823 18.145 -0.720) 21.140 2.863 ( 2.007 -5.377 2.967) 6.461 3.590 ( 1.208 0.444 0.415) 1.352 3.695 ( -0.789 0.702 0.175) 1.071 4.005 ( 2.160 1.700 0.034) 2.749 4.360 ( 0.252 -3.264 -3.351) 4.684 4.516 ( -4.687 -9.522 4.360) 11.474 5.390 ( -8.316 -5.630 -6.054) 11.727 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 4.000 12.671 1.762) 13.404 1.659 ( 4.976 15.817 -5.288) 17.404 2.130 ( 5.127 3.661 -2.145) 6.656 2.249 ( 0.246 2.857 0.452) 2.903 2.654 ( 6.948 5.266 -1.833) 8.909 2.929 ( 6.802 3.200 6.824) 10.152 3.619 ( 1.867 -0.432 1.678) 2.547 3.693 ( -0.725 1.705 -0.288) 1.875 4.024 ( -0.273 -0.789 -1.203) 1.464 4.330 ( -2.197 -2.744 0.452) 3.544 4.370 ( -4.366 -1.933 1.143) 4.910 5.177 ( -6.620 -8.262 -6.085) 12.211 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.464 9.060 -1.644) 10.707 1.860 ( 4.123 12.741 -4.721) 14.200 2.213 ( -0.083 3.519 3.092) 4.685 2.315 ( 4.331 2.941 0.525) 5.261 2.716 ( 1.089 -0.555 0.255) 1.248 3.092 ( 3.433 4.401 1.808) 5.867 3.649 ( 1.194 -0.425 2.817) 3.089 3.709 ( 1.061 1.863 -0.735) 2.267 3.981 ( -2.022 -2.295 -1.996) 3.653 4.203 ( -9.605 2.308 1.953) 10.070 4.398 ( 4.479 2.116 -0.994) 5.053 4.990 ( -3.260 -10.304 -4.237) 11.609 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 5.089 6.370 -2.688) 8.585 2.002 ( 2.082 8.768 -3.636) 9.718 2.221 ( -2.863 1.046 4.952) 5.815 2.416 ( 4.036 1.349 0.562) 4.292 2.711 ( -3.756 4.253 -0.168) 5.677 3.130 ( -1.179 1.865 0.211) 2.216 3.661 ( -0.090 -0.215 1.553) 1.571 3.755 ( 2.359 0.952 -0.370) 2.571 3.926 ( -1.156 -1.474 -1.326) 2.295 4.093 ( -8.742 6.110 0.535) 10.679 4.526 ( 8.005 1.938 0.319) 8.243 4.840 ( -1.982 -10.392 -2.267) 10.819 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 1.049 2.087 -1.676) 2.875 2.073 ( -0.732 5.086 -0.882) 5.214 2.179 ( -3.329 -0.085 2.550) 4.194 2.452 ( 0.418 -2.101 -0.608) 2.227 2.678 ( -6.678 8.976 -3.646) 11.767 3.142 ( -0.499 3.280 3.545) 4.855 3.653 ( -0.396 -1.005 -0.312) 1.124 3.784 ( 0.498 -0.342 -0.098) 0.612 3.918 ( 1.099 0.016 0.687) 1.296 4.044 ( -5.414 8.523 -0.296) 10.101 4.637 ( 0.614 -4.275 -0.494) 4.348 4.748 ( 5.817 -5.193 0.505) 7.814 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -5.195 -3.077 2.128) 6.402 2.062 ( -5.435 2.113 2.772) 6.457 2.147 ( -1.846 2.609 -2.320) 3.950 2.396 ( -2.734 -3.715 -1.618) 4.888 2.657 ( -3.897 8.195 -5.511) 10.617 3.171 ( -2.571 2.905 4.258) 5.760 3.629 ( -0.443 -1.697 -1.738) 2.469 3.764 ( -1.776 -1.076 0.499) 2.136 3.957 ( 2.569 0.401 1.803) 3.164 4.077 ( -1.773 10.766 -1.105) 10.967 4.518 ( -4.809 -5.532 -0.587) 7.353 4.886 ( 11.593 -3.488 2.403) 12.342 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -9.640 -4.739 4.099) 11.497 1.947 ( -11.060 0.806 3.853) 11.740 2.145 ( -2.034 4.447 -3.287) 5.892 2.306 ( -2.710 -3.868 -0.494) 4.749 2.673 ( 0.604 4.042 -4.570) 6.131 3.079 ( -11.725 -0.851 0.558) 11.769 3.605 ( 0.458 -1.829 -1.653) 2.508 3.725 ( -2.013 -0.260 0.904) 2.222 4.011 ( 2.646 0.201 1.161) 2.896 4.168 ( 1.150 9.895 -1.820) 10.126 4.411 ( -2.798 -2.602 0.420) 3.843 5.063 ( 12.586 -3.011 3.277) 13.349 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -14.239 -3.680 2.786) 14.968 1.748 ( -14.917 0.737 3.132) 15.260 2.128 ( -3.499 3.067 -2.263) 5.174 2.243 ( -1.174 -2.817 0.714) 3.134 2.710 ( -5.133 1.640 3.824) 6.607 2.794 ( -12.176 -3.146 -7.446) 14.615 3.595 ( 0.357 -1.299 -0.732) 1.533 3.701 ( -1.266 0.459 0.610) 1.478 4.036 ( -0.201 -0.170 0.086) 0.277 4.297 ( 6.162 5.650 -1.978) 8.591 4.380 ( 0.488 -0.806 0.990) 1.367 5.260 ( 12.192 -1.049 2.674) 12.526 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -17.211 0.000 0.000) 17.211 1.484 ( -18.265 0.000 0.000) 18.265 2.086 ( -2.602 0.000 0.000) 2.602 2.164 ( -11.496 0.000 0.000) 11.496 2.367 ( -19.203 0.000 0.000) 19.203 2.833 ( 6.328 -0.000 -0.000) 6.328 3.586 ( -0.483 0.000 0.000) 0.483 3.692 ( -0.317 0.000 0.000) 0.317 4.005 ( -3.180 0.000 0.000) 3.180 4.405 ( 2.649 -0.000 -0.000) 2.649 4.463 ( 10.554 -0.000 -0.000) 10.554 5.448 ( 10.078 -0.000 -0.000) 10.078 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 18.539 9.723) 20.934 1.313 ( 0.000 19.111 4.498) 19.633 1.906 ( 0.000 -1.553 -7.448) 7.608 1.968 ( 0.000 27.021 3.791) 27.285 2.295 ( 0.000 6.433 -5.960) 8.770 2.832 ( -0.000 -6.971 0.476) 6.988 3.579 ( 0.000 2.077 -1.093) 2.347 3.708 ( -0.000 -0.803 1.436) 1.645 3.942 ( 0.000 3.832 -0.951) 3.948 4.336 ( -0.000 -6.245 -4.919) 7.949 4.572 ( -0.000 -10.770 3.801) 11.421 5.577 ( -0.000 -4.965 -3.393) 6.013 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.688 18.194 9.644) 21.119 1.532 ( 2.622 16.053 -1.062) 16.300 1.920 ( 5.454 0.752 -6.639) 8.625 2.230 ( 2.812 8.052 3.077) 9.067 2.378 ( 4.698 15.875 -8.420) 18.574 2.792 ( 1.534 -4.331 5.461) 7.136 3.595 ( -0.227 1.856 -0.157) 1.876 3.706 ( -0.029 0.067 0.659) 0.664 3.989 ( 1.858 2.220 -0.737) 2.987 4.276 ( 2.279 -7.307 -2.791) 8.147 4.480 ( -1.359 -7.984 2.461) 8.465 5.457 ( -6.666 -5.942 -3.824) 9.714 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -3.130 12.900 3.966) 13.854 1.724 ( 3.587 14.862 -1.196) 15.335 2.048 ( 7.785 4.429 -3.622) 9.661 2.276 ( 0.403 2.433 -0.983) 2.655 2.570 ( 5.653 1.532 -4.769) 7.553 2.891 ( 6.082 8.709 7.068) 12.759 3.609 ( 0.183 0.915 1.608) 1.860 3.713 ( 0.038 1.077 -0.087) 1.081 4.018 ( 0.126 0.064 -1.312) 1.320 4.262 ( 4.410 -6.167 -0.430) 7.593 4.399 ( -2.032 -3.161 0.661) 3.815 5.236 ( -10.262 -7.171 -4.221) 13.212 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.719 9.923 1.204) 10.022 1.909 ( 2.895 12.024 -0.908) 12.401 2.207 ( 5.851 5.109 -0.789) 7.808 2.313 ( 0.497 2.455 2.800) 3.757 2.629 ( 6.485 -2.741 -3.648) 7.929 3.092 ( 3.932 8.414 1.256) 9.372 3.631 ( 1.169 0.087 3.119) 3.332 3.724 ( -0.252 1.584 -0.361) 1.644 3.986 ( -1.896 -1.839 -1.848) 3.223 4.284 ( 2.167 -2.521 1.115) 3.507 4.375 ( 0.223 2.248 -0.775) 2.389 4.980 ( -9.148 -9.030 -3.632) 13.357 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 2.327 9.057 0.955) 9.400 2.037 ( 1.975 7.527 -1.762) 7.979 2.286 ( -1.811 1.350 3.586) 4.238 2.363 ( 3.594 0.549 2.204) 4.252 2.743 ( 6.195 5.458 -3.126) 8.828 3.164 ( -0.934 3.427 -2.265) 4.213 3.661 ( 0.937 -0.514 3.003) 3.188 3.735 ( 0.403 1.011 -0.497) 1.197 3.929 ( -1.762 -1.681 -1.531) 2.876 4.273 ( -4.463 3.753 0.430) 5.847 4.442 ( 4.422 2.511 -0.080) 5.086 4.765 ( -3.798 -10.700 -2.057) 11.539 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.180 6.665 0.214) 6.671 2.113 ( 0.889 4.469 -1.117) 4.691 2.240 ( -3.607 -1.551 3.326) 5.146 2.412 ( 1.760 -1.763 0.204) 2.500 2.860 ( -2.629 11.550 -3.495) 12.351 3.172 ( 0.886 2.070 0.467) 2.299 3.657 ( -1.192 -0.762 0.635) 1.550 3.754 ( 1.820 -1.192 -0.064) 2.177 3.902 ( 0.337 -0.598 -0.085) 0.691 4.229 ( -6.586 7.644 -0.198) 10.092 4.544 ( 5.883 -0.559 0.592) 5.939 4.635 ( 0.043 -9.424 -0.879) 9.464 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -4.748 1.583 0.251) 5.011 2.140 ( -1.539 1.939 0.511) 2.528 2.191 ( -1.730 0.758 0.443) 1.940 2.388 ( -1.167 -3.207 -1.194) 3.616 2.843 ( -8.794 9.009 -3.947) 13.194 3.236 ( 0.996 3.644 3.969) 5.480 3.621 ( -1.420 -1.438 -1.468) 2.498 3.763 ( 0.789 -1.776 0.399) 1.984 3.923 ( 2.093 -0.177 1.120) 2.380 4.222 ( -3.888 9.541 -0.584) 10.319 4.525 ( -2.358 -5.089 -0.595) 5.640 4.667 ( 9.650 -4.840 1.114) 10.853 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -7.842 -1.165 0.973) 7.988 2.095 ( -5.547 0.399 0.841) 5.625 2.198 ( -0.203 2.933 -0.494) 2.981 2.316 ( -3.256 -3.091 -1.108) 4.625 2.755 ( -6.982 3.737 -2.316) 8.251 3.242 ( -5.922 1.728 2.373) 6.610 3.584 ( -0.471 -1.317 -1.484) 2.040 3.750 ( -0.971 -0.556 0.457) 1.208 3.967 ( 2.898 -0.068 0.803) 3.008 4.256 ( -2.011 6.660 -0.707) 6.993 4.439 ( -3.213 -2.145 -0.148) 3.866 4.818 ( 13.192 -3.511 1.243) 13.707 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -10.579 0.000 0.000) 10.579 1.966 ( -10.504 0.000 0.000) 10.504 2.221 ( -5.001 0.000 0.000) 5.001 2.226 ( 0.654 -0.000 -0.000) 0.654 2.701 ( -0.641 0.000 0.000) 0.641 3.072 ( -15.420 0.000 0.000) 15.420 3.579 ( 0.600 -0.000 -0.000) 0.600 3.727 ( -1.480 0.000 0.000) 1.480 4.015 ( 2.456 -0.000 -0.000) 2.456 4.271 ( 0.494 -0.000 -0.000) 0.494 4.387 ( -1.745 0.000 0.000) 1.745 5.035 ( 14.150 -0.000 -0.000) 14.150 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 16.182 4.491) 16.794 1.656 ( 0.000 14.245 0.118) 14.246 1.838 ( 0.000 -0.756 -4.436) 4.500 2.260 ( 0.000 1.643 -3.455) 3.826 2.449 ( 0.000 10.971 -6.194) 12.598 2.797 ( -0.000 4.996 9.563) 10.790 3.620 ( 0.000 2.569 -0.532) 2.623 3.707 ( -0.000 0.019 0.659) 0.659 3.985 ( 0.000 1.066 -0.887) 1.387 4.164 ( -0.000 -9.559 -0.659) 9.582 4.439 ( -0.000 -3.875 0.386) 3.895 5.442 ( -0.000 -7.056 -3.361) 7.816 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -4.382 5.071 -5.363) 8.584 1.838 ( 2.210 15.811 5.211) 16.794 1.938 ( 7.819 3.497 -3.536) 9.267 2.267 ( 1.469 1.495 -4.351) 4.829 2.497 ( 1.329 -2.154 0.392) 2.561 2.949 ( 2.893 14.236 6.530) 15.927 3.634 ( -0.849 1.871 0.924) 2.253 3.715 ( 0.501 0.712 -0.206) 0.895 4.006 ( 1.614 0.195 -1.103) 1.965 4.102 ( 3.784 -9.274 0.512) 10.030 4.410 ( -1.110 0.028 -0.716) 1.322 5.303 ( -6.652 -7.838 -3.379) 10.822 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.864 4.652 -2.971) 5.587 2.002 ( -0.110 9.852 3.275) 10.383 2.122 ( 10.540 5.775 -2.534) 12.283 2.322 ( 2.489 3.312 -0.117) 4.145 2.484 ( 3.108 -5.175 -0.274) 6.043 3.138 ( 2.305 11.094 1.674) 11.454 3.639 ( -0.523 0.556 2.871) 2.971 3.733 ( 0.569 1.205 -0.719) 1.515 3.997 ( -1.573 -0.917 -1.740) 2.519 4.138 ( 8.680 -6.123 0.715) 10.646 4.406 ( -0.906 3.410 -0.614) 3.581 5.068 ( -10.723 -8.090 -3.018) 13.768 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.125 6.471 0.411) 7.685 2.077 ( 0.722 5.114 -0.134) 5.167 2.306 ( 4.512 4.474 1.852) 6.619 2.343 ( -1.829 -2.303 4.196) 5.124 2.598 ( 13.111 3.516 -4.463) 14.289 3.222 ( -1.565 5.522 -2.535) 6.274 3.648 ( 0.523 -0.674 3.228) 3.339 3.747 ( -0.128 1.154 -0.557) 1.288 3.948 ( -2.461 -0.775 -1.465) 2.967 4.241 ( 7.881 -2.465 0.247) 8.261 4.440 ( 0.225 4.425 0.085) 4.432 4.800 ( -10.771 -7.733 -1.995) 13.409 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.403 6.812 1.561) 7.390 2.132 ( 0.924 3.595 -0.407) 3.734 2.279 ( -2.842 -3.904 2.501) 5.438 2.377 ( 1.255 0.413 1.066) 1.698 2.876 ( 12.501 8.334 -2.007) 15.157 3.198 ( -3.594 1.921 -3.319) 5.256 3.659 ( 0.955 -1.076 1.744) 2.262 3.739 ( -1.589 -0.250 -0.093) 1.612 3.904 ( -1.457 -0.334 -0.618) 1.617 4.334 ( 2.962 2.110 -0.017) 3.637 4.483 ( 1.037 1.518 0.348) 1.871 4.583 ( -5.566 -6.658 -0.765) 8.712 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -3.728 3.456 0.770) 5.141 2.168 ( -0.037 1.737 0.243) 1.755 2.214 ( -1.224 -1.852 0.351) 2.247 2.376 ( -0.551 -1.315 -0.106) 1.429 3.047 ( -5.785 7.929 -2.423) 10.110 3.196 ( 7.007 -0.321 0.909) 7.073 3.654 ( -3.090 0.731 -0.429) 3.204 3.710 ( 1.996 -2.957 0.639) 3.625 3.897 ( 0.861 -0.102 0.215) 0.893 4.366 ( -3.731 6.299 -0.354) 7.330 4.490 ( 2.206 -5.303 -0.124) 5.745 4.516 ( 2.276 -2.011 0.387) 3.061 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -7.456 0.000 0.000) 7.456 2.158 ( -2.020 0.000 0.000) 2.020 2.207 ( 0.230 -0.000 -0.000) 0.230 2.346 ( -2.029 0.000 0.000) 2.029 2.924 ( -10.306 0.000 0.000) 10.306 3.294 ( 1.766 -0.000 -0.000) 1.766 3.598 ( -2.532 0.000 0.000) 2.532 3.741 ( 1.865 -0.000 -0.000) 1.865 3.924 ( 2.236 -0.000 -0.000) 2.236 4.338 ( -3.515 0.000 0.000) 3.515 4.471 ( -1.649 0.000 0.000) 1.649 4.603 ( 9.758 -0.000 -0.000) 9.758 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 -0.238 -8.013) 8.017 1.786 ( 0.000 1.170 -9.952) 10.020 2.016 ( 0.000 12.276 7.197) 14.230 2.268 ( 0.000 4.106 -1.212) 4.281 2.470 ( -0.000 -3.984 4.169) 5.766 3.087 ( 0.000 14.613 5.089) 15.473 3.665 ( 0.000 2.034 0.538) 2.104 3.716 ( 0.000 0.844 -0.679) 1.083 3.942 ( -0.000 -6.793 1.804) 7.028 4.027 ( -0.000 -2.244 -1.371) 2.630 4.432 ( 0.000 3.260 -1.004) 3.411 5.268 ( -0.000 -8.974 -3.232) 9.538 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.515 0.158 -5.981) 6.005 1.883 ( 11.326 -3.190 -9.460) 15.098 2.152 ( 1.154 11.338 5.871) 12.820 2.326 ( 1.062 4.655 1.255) 4.937 2.436 ( -0.537 -4.029 3.253) 5.206 3.229 ( 0.396 10.503 2.505) 10.805 3.670 ( -1.347 0.775 1.995) 2.529 3.729 ( 0.720 1.131 -1.219) 1.812 3.943 ( 6.919 -6.219 1.328) 9.397 4.005 ( -0.730 -0.514 -1.537) 1.777 4.466 ( -0.981 6.064 -0.467) 6.161 5.119 ( -5.957 -9.282 -2.933) 11.412 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 5.896 2.454 -1.395) 6.537 2.010 ( 9.668 -2.544 -5.488) 11.404 2.307 ( 2.240 6.528 6.029) 9.164 2.362 ( -0.180 -0.163 1.806) 1.822 2.445 ( 5.599 2.081 -1.531) 6.166 3.298 ( -1.693 5.285 -0.745) 5.599 3.657 ( -1.101 -0.436 2.587) 2.846 3.749 ( 0.767 1.008 -0.967) 1.594 3.976 ( -1.415 -0.168 -1.196) 1.860 4.049 ( 10.086 -3.549 0.402) 10.700 4.508 ( -1.674 6.781 0.382) 6.995 4.895 ( -9.394 -8.153 -2.155) 12.624 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.309 2.949 0.597) 7.904 2.115 ( 5.395 0.518 -1.548) 5.637 2.291 ( -3.008 -2.737 2.281) 4.663 2.393 ( -0.683 2.127 1.187) 2.529 2.667 ( 15.938 3.315 -1.177) 16.322 3.278 ( -3.896 1.914 -1.839) 4.714 3.644 ( -0.227 -0.785 1.373) 1.598 3.761 ( -0.275 0.513 -0.260) 0.637 3.939 ( -2.605 0.174 -0.574) 2.673 4.200 ( 10.428 -1.476 0.072) 10.532 4.532 ( -2.423 4.392 0.739) 5.070 4.665 ( -9.260 -5.140 -1.160) 10.654 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 3.247 -0.000 -0.000) 3.247 2.184 ( 2.228 -0.000 -0.000) 2.228 2.216 ( -3.648 0.000 0.000) 3.648 2.386 ( -1.063 0.000 0.000) 1.063 2.964 ( 16.608 -0.000 -0.000) 16.608 3.203 ( -5.824 0.000 0.000) 5.824 3.651 ( 1.527 -0.000 -0.000) 1.527 3.734 ( -3.499 0.000 0.000) 3.499 3.900 ( -1.454 0.000 0.000) 1.454 4.350 ( 7.970 -0.000 -0.000) 7.970 4.501 ( -6.892 0.000 0.000) 6.892 4.517 ( -1.884 0.000 0.000) 1.884 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 -4.689 -9.125) 10.259 1.692 ( 0.000 -0.466 -4.334) 4.359 2.241 ( 0.000 7.154 3.680) 8.045 2.368 ( -0.000 2.488 3.262) 4.102 2.421 ( -0.000 -1.246 1.373) 1.855 3.323 ( 0.000 7.260 2.210) 7.589 3.698 ( -0.000 0.754 1.189) 1.408 3.729 ( 0.000 1.091 -1.401) 1.776 3.830 ( -0.000 -4.743 1.626) 5.014 4.003 ( 0.000 -0.342 -1.144) 1.194 4.544 ( 0.000 8.172 0.107) 8.173 5.066 ( -0.000 -9.868 -2.690) 10.228 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 4.067 -0.501 -2.343) 4.721 1.777 ( 10.389 -2.102 -3.950) 11.311 2.330 ( 3.448 4.217 2.443) 5.970 2.366 ( -1.037 -1.411 2.028) 2.679 2.430 ( -0.252 1.812 -0.154) 1.836 3.366 ( -1.428 3.152 0.555) 3.504 3.685 ( -1.749 -0.122 1.209) 2.130 3.741 ( 0.749 0.658 -0.834) 1.300 3.868 ( 7.275 -2.017 0.464) 7.563 3.993 ( -0.587 -0.143 -0.590) 0.844 4.610 ( -1.606 7.249 0.620) 7.451 4.929 ( -4.899 -7.795 -1.817) 9.384 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 8.119 -0.000 -0.000) 8.119 1.955 ( 12.045 -0.000 -0.000) 12.045 2.332 ( -2.415 0.000 0.000) 2.415 2.425 ( -1.103 0.000 0.000) 1.103 2.464 ( 9.656 -0.000 -0.000) 9.656 3.343 ( -2.984 0.000 0.000) 2.984 3.659 ( -1.423 0.000 0.000) 1.423 3.757 ( 0.818 -0.000 -0.000) 0.818 3.975 ( -1.548 0.000 0.000) 1.548 4.012 ( 10.632 -0.000 -0.000) 10.632 4.613 ( -2.961 0.000 0.000) 2.961 4.774 ( -7.991 0.000 0.000) 7.991 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.000 0.000 0.000) 0.000 1.674 ( -0.000 0.000 0.000) 0.000 2.322 ( -0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.445 ( -0.000 0.000 0.000) 0.000 3.396 ( -0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 -0.000) 0.000 3.736 ( -0.000 0.000 0.000) 0.000 3.790 ( -0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.922 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 0.000 -0.000 21.096) 21.096 0.192 ( 0.000 -0.000 21.096) 21.096 0.312 ( 0.000 -0.000 34.298) 34.298 2.027 ( -0.000 0.000 -2.405) 2.405 2.027 ( -0.000 0.000 -2.405) 2.405 3.543 ( 0.000 0.000 -0.305) 0.305 3.543 ( -0.000 0.000 -0.305) 0.305 3.629 ( -0.000 0.000 -8.474) 8.474 3.742 ( 0.000 -0.000 0.679) 0.679 3.742 ( 0.000 -0.000 0.679) 0.679 4.620 ( 0.000 -0.000 4.753) 4.753 5.727 ( -0.000 0.000 -0.395) 0.395 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 11.929 6.887 6.934) 15.421 0.406 ( 12.158 7.020 10.421) 17.484 0.883 ( 28.452 16.427 18.298) 37.606 2.035 ( 2.185 1.261 -4.993) 5.594 2.041 ( 0.971 0.560 -1.333) 1.741 3.071 ( -3.945 -2.277 -0.996) 4.663 3.552 ( 0.670 0.387 -0.106) 0.781 3.729 ( -1.103 -0.637 0.555) 1.389 3.790 ( 4.084 2.358 0.904) 4.802 4.525 ( 0.865 0.499 -10.482) 10.530 4.855 ( 8.526 4.922 -11.298) 14.986 5.664 ( -3.889 -2.245 -5.819) 7.350 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 15.131 8.736 0.588) 17.482 0.726 ( 14.451 8.343 1.064) 16.720 1.552 ( 27.506 15.881 11.663) 33.835 2.062 ( 1.091 0.630 -0.125) 1.266 2.082 ( 3.515 2.030 -6.596) 7.745 3.002 ( -2.110 -1.218 -1.672) 2.954 3.573 ( 1.333 0.770 -0.200) 1.552 3.701 ( -1.528 -0.882 0.541) 1.846 3.902 ( 5.057 2.919 1.978) 6.165 4.473 ( -2.528 -1.459 -4.427) 5.302 4.828 ( -7.463 -4.309 4.345) 9.651 5.544 ( -4.495 -2.595 -11.005) 12.168 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 15.693 9.060 -2.178) 18.251 1.035 ( 13.801 7.968 -4.371) 16.525 2.088 ( 1.086 0.627 1.296) 1.803 2.093 ( 12.129 7.003 -9.560) 16.957 2.199 ( 15.216 8.785 9.822) 20.129 2.969 ( -0.935 -0.540 2.413) 2.643 3.610 ( 2.139 1.235 -0.556) 2.531 3.670 ( -1.274 -0.735 0.639) 1.604 4.001 ( 2.985 1.723 1.465) 3.745 4.404 ( -2.477 -1.430 -3.215) 4.304 4.605 ( -13.553 -7.825 7.607) 17.401 5.406 ( -4.784 -2.762 -11.567) 12.818 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 12.355 7.133 -7.966) 16.340 1.328 ( 14.379 8.302 -4.114) 17.106 2.117 ( 0.935 0.540 2.974) 3.164 2.198 ( 5.096 2.942 -6.667) 8.892 2.610 ( 13.178 7.608 4.739) 15.937 2.983 ( 1.369 0.790 7.717) 7.877 3.649 ( -0.132 -0.076 -0.566) 0.586 3.665 ( 2.254 1.301 0.385) 2.631 4.032 ( -0.353 -0.204 -0.395) 0.568 4.302 ( -13.592 -7.847 5.083) 16.497 4.367 ( -0.876 -0.506 -1.764) 2.033 5.268 ( -4.922 -2.842 -8.800) 10.475 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 11.039 6.373 -9.176) 15.706 1.599 ( 11.286 6.516 -5.637) 14.199 2.145 ( 0.478 0.276 4.671) 4.703 2.306 ( 5.719 3.302 -2.401) 7.026 2.735 ( -1.679 -0.969 4.039) 4.480 3.076 ( 3.043 1.757 6.014) 6.965 3.646 ( 0.113 0.065 0.104) 0.167 3.722 ( 2.525 1.458 -0.406) 2.944 3.988 ( -3.195 -1.845 -1.123) 3.857 4.043 ( -9.320 -5.381 2.923) 11.152 4.413 ( 5.230 3.020 -1.490) 6.220 5.133 ( -5.519 -3.186 -5.366) 8.331 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 9.418 5.438 -8.094) 13.557 1.786 ( 7.221 4.169 -6.096) 10.329 2.159 ( -0.754 -0.435 5.469) 5.538 2.415 ( 3.837 2.215 -0.613) 4.473 2.645 ( -6.239 -3.602 3.938) 8.210 3.095 ( -1.720 -0.993 2.984) 3.585 3.652 ( 0.298 0.172 0.197) 0.396 3.767 ( 1.583 0.914 -0.413) 1.874 3.899 ( -3.383 -1.953 1.782) 4.293 3.936 ( -2.022 -1.167 -1.380) 2.712 4.574 ( 8.737 5.044 0.115) 10.089 4.986 ( -6.566 -3.791 -2.895) 8.116 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 4.004 2.312 -3.465) 5.778 1.884 ( 3.053 1.763 -4.058) 5.376 2.135 ( -2.853 -1.647 3.807) 5.035 2.441 ( -0.649 -0.375 -0.243) 0.788 2.539 ( -3.191 -1.843 -2.711) 4.575 3.081 ( 0.176 0.101 4.659) 4.663 3.657 ( 0.021 0.012 0.345) 0.345 3.785 ( 0.096 0.055 -0.319) 0.338 3.856 ( -0.894 -0.516 -0.819) 1.318 3.924 ( 0.864 0.499 1.095) 1.482 4.710 ( -1.326 -0.765 -0.713) 1.688 4.885 ( 2.405 1.388 0.643) 2.850 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -5.054 -2.918 5.293) 7.878 1.884 ( -3.676 -2.122 3.118) 5.267 2.069 ( -2.377 -1.372 -2.975) 4.048 2.422 ( -3.276 -1.892 -0.026) 3.783 2.505 ( 4.476 2.584 -10.029) 11.282 3.105 ( -0.847 -0.489 3.545) 3.677 3.654 ( -0.320 -0.185 0.448) 0.581 3.770 ( -1.398 -0.807 -0.171) 1.624 3.861 ( 2.230 1.287 -2.190) 3.380 3.970 ( 2.517 1.453 2.052) 3.558 4.567 ( -7.539 -4.353 -0.635) 8.728 5.046 ( 8.177 4.721 3.237) 9.981 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -10.196 -5.887 9.953) 15.417 1.723 ( -11.795 -6.810 7.756) 15.673 2.036 ( 0.468 0.270 -7.115) 7.135 2.340 ( -3.251 -1.877 0.993) 3.883 2.613 ( 6.280 3.626 -9.057) 11.603 2.994 ( -9.954 -5.747 -2.136) 11.691 3.648 ( -0.311 -0.180 0.291) 0.463 3.727 ( -2.335 -1.348 0.108) 2.698 3.962 ( 7.082 4.089 -2.680) 8.605 4.035 ( 3.279 1.893 0.949) 3.903 4.435 ( -3.892 -2.247 0.860) 4.576 5.232 ( 7.542 4.355 4.877) 9.982 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -15.587 -8.999 7.782) 19.609 1.481 ( -13.852 -7.997 10.349) 19.051 2.030 ( 0.692 0.399 -6.373) 6.423 2.283 ( -3.159 -1.824 1.352) 3.891 2.575 ( -16.254 -9.384 2.540) 18.939 2.797 ( 2.684 1.550 -12.364) 12.747 3.639 ( -0.787 -0.455 -0.875) 1.262 3.680 ( -1.501 -0.867 1.224) 2.122 4.023 ( -0.589 -0.340 -1.335) 1.498 4.219 ( 12.260 7.078 -3.519) 14.587 4.405 ( 0.606 0.350 1.997) 2.116 5.408 ( 6.837 3.947 5.802) 9.797 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -17.028 -9.831 8.027) 21.237 1.175 ( -16.390 -9.463 9.480) 21.167 2.006 ( -24.420 -14.099 -7.205) 29.104 2.026 ( 0.532 0.307 -5.314) 5.349 2.280 ( -5.979 -3.452 6.733) 9.643 2.887 ( 5.725 3.305 -5.522) 8.613 3.601 ( -1.819 -1.050 -1.208) 2.422 3.681 ( 0.731 0.422 1.422) 1.653 3.969 ( -3.519 -2.032 -1.851) 4.465 4.424 ( 4.520 2.610 -3.127) 6.085 4.520 ( 11.195 6.464 0.378) 12.933 5.563 ( 5.616 3.243 5.065) 8.229 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -16.874 -9.742 9.376) 21.623 0.823 ( -17.749 -10.247 8.889) 22.339 1.372 ( -29.877 -17.250 -5.329) 34.908 2.023 ( 0.462 0.267 -4.340) 4.372 2.181 ( -5.029 -2.903 2.927) 6.503 2.992 ( 4.564 2.635 -2.253) 5.732 3.565 ( -1.128 -0.651 -0.981) 1.630 3.707 ( 1.169 0.675 1.126) 1.758 3.871 ( -4.611 -2.662 -1.493) 5.530 4.501 ( 3.539 2.043 -1.816) 4.471 4.765 ( 10.045 5.799 -1.768) 11.733 5.678 ( 3.593 2.074 2.284) 4.736 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 21.442 5.433) 22.119 0.556 ( -0.000 15.688 16.110) 22.486 0.825 ( -0.000 25.255 20.875) 32.765 1.982 ( 0.000 -1.368 -5.443) 5.613 2.072 ( 0.000 5.023 -2.521) 5.620 3.061 ( -0.000 -6.424 -1.589) 6.617 3.539 ( 0.000 0.228 -0.769) 0.802 3.743 ( -0.000 -0.714 1.291) 1.476 3.768 ( 0.000 3.668 -0.678) 3.731 4.473 ( 0.000 4.828 -16.774) 17.455 4.808 ( 0.000 8.689 -5.751) 10.420 5.691 ( 0.000 -1.372 -4.756) 4.950 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -2.524 16.290 14.535) 21.977 0.760 ( 4.033 22.225 0.434) 22.592 1.355 ( 21.179 21.957 13.304) 33.281 1.980 ( 3.432 -1.308 -5.683) 6.767 2.113 ( -0.528 5.769 -3.154) 6.596 2.991 ( -0.686 -3.979 -3.503) 5.345 3.554 ( 1.285 0.281 -0.461) 1.394 3.719 ( -1.474 -0.700 0.675) 1.766 3.857 ( 4.614 3.758 1.074) 6.047 4.456 ( 0.221 -2.029 -7.796) 8.059 4.841 ( 0.218 -4.817 1.491) 5.047 5.596 ( -6.536 -0.982 -7.909) 10.307 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 5.652 13.903 8.153) 17.080 1.040 ( 5.651 20.200 -3.353) 21.242 1.899 ( 16.279 12.024 -1.826) 20.321 2.069 ( 10.211 5.910 4.522) 12.635 2.145 ( -0.357 4.857 -2.901) 5.668 2.952 ( 0.893 -3.088 -0.875) 3.332 3.582 ( 1.869 0.465 -0.257) 1.943 3.691 ( -1.451 -0.342 0.504) 1.574 3.967 ( 3.917 2.443 1.505) 4.855 4.405 ( -1.105 -2.669 -4.281) 5.165 4.725 ( -6.902 -9.535 6.499) 13.446 5.437 ( -7.010 -2.044 -10.699) 12.953 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 8.773 10.576 1.768) 13.855 1.310 ( 6.621 17.950 -5.491) 19.904 2.068 ( 6.326 1.671 -4.914) 8.183 2.173 ( 0.212 4.741 -3.089) 5.663 2.475 ( 15.694 11.470 6.683) 20.555 2.961 ( 2.899 -1.915 3.970) 5.276 3.624 ( 2.673 0.522 -0.176) 2.730 3.669 ( -1.301 0.359 0.513) 1.444 4.026 ( 1.104 0.307 -0.061) 1.147 4.355 ( -0.915 -1.465 -2.821) 3.308 4.492 ( -12.624 -8.002 6.583) 16.332 5.275 ( -4.858 -4.369 -9.711) 11.704 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 9.232 7.724 -3.317) 12.485 1.564 ( 6.488 15.424 -5.752) 17.694 2.158 ( 1.997 2.565 1.812) 3.722 2.241 ( 4.449 4.274 -2.805) 6.777 2.723 ( 4.429 1.606 1.638) 4.988 3.048 ( 4.971 1.577 6.599) 8.411 3.658 ( -0.839 0.663 0.782) 1.324 3.678 ( 3.176 0.593 -0.169) 3.235 4.011 ( -1.728 -1.368 -1.733) 2.804 4.218 ( -13.805 -3.369 4.148) 14.803 4.361 ( 2.656 1.158 -2.087) 3.571 5.136 ( -3.097 -6.299 -6.196) 9.363 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 9.055 5.570 -5.392) 11.920 1.774 ( 4.560 12.573 -5.974) 14.648 2.199 ( -0.837 2.256 4.566) 5.161 2.363 ( 5.335 3.573 -0.954) 6.491 2.715 ( -3.818 -2.588 1.837) 4.965 3.119 ( 0.061 0.022 3.623) 3.624 3.659 ( -0.346 0.800 0.801) 1.184 3.735 ( 2.872 0.726 -0.141) 2.966 3.952 ( -2.186 -1.577 -1.676) 3.174 4.018 ( -9.819 1.407 1.697) 10.064 4.472 ( 7.980 3.516 -0.604) 8.741 5.005 ( -3.354 -7.325 -3.253) 8.688 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.165 2.634 -5.453) 9.381 1.919 ( 2.158 9.837 -5.052) 11.267 2.194 ( -3.201 0.254 5.143) 6.063 2.450 ( 1.669 1.780 -0.505) 2.491 2.597 ( -6.811 -1.490 -1.493) 7.130 3.113 ( -1.175 0.777 4.906) 5.104 3.662 ( -0.268 0.230 0.429) 0.556 3.777 ( 1.277 0.623 -0.408) 1.478 3.913 ( -2.455 1.112 -0.599) 2.761 3.931 ( -2.999 2.342 0.794) 3.887 4.651 ( 8.163 2.270 0.198) 8.475 4.869 ( -2.831 -6.642 -1.251) 7.328 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 2.237 -2.078 -2.152) 3.736 1.994 ( -1.852 6.053 -0.587) 6.357 2.130 ( -5.138 -0.968 2.532) 5.809 2.450 ( -2.006 -1.260 -0.609) 2.446 2.496 ( -3.210 3.743 -6.954) 8.525 3.137 ( -0.531 2.020 5.859) 6.221 3.654 ( -0.320 -0.972 -0.141) 1.033 3.780 ( -1.019 -0.487 -0.229) 1.153 3.901 ( -2.179 6.296 -1.296) 6.787 3.949 ( 1.945 0.928 1.855) 2.843 4.629 ( -5.794 -5.754 -1.119) 8.242 4.923 ( 10.174 0.432 2.035) 10.385 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -4.782 -7.807 5.185) 10.522 1.947 ( -9.632 0.990 5.693) 11.232 2.056 ( -3.114 2.947 -4.264) 6.047 2.369 ( -3.046 -2.994 -1.085) 4.407 2.540 ( 3.547 6.549 -9.001) 11.683 3.106 ( -7.240 -1.355 2.571) 7.802 3.638 ( 0.352 -1.749 -0.429) 1.835 3.743 ( -1.966 -1.319 0.309) 2.388 3.961 ( 1.038 9.557 -1.899) 9.799 4.005 ( 2.653 0.907 1.524) 3.191 4.480 ( -4.921 -4.233 -0.073) 6.491 5.111 ( 10.855 -0.106 3.300) 11.346 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -11.227 -11.010 8.198) 17.733 1.758 ( -14.794 -0.493 6.088) 16.006 2.040 ( -1.860 4.029 -5.523) 7.086 2.305 ( -1.762 -2.626 0.748) 3.250 2.648 ( 4.749 4.628 -5.404) 8.555 2.861 ( -16.871 -5.879 -3.177) 18.146 3.628 ( 0.456 -1.943 -0.675) 2.106 3.702 ( -1.751 -0.595 1.019) 2.112 4.032 ( -0.144 1.248 -0.447) 1.333 4.125 ( 7.249 9.209 -2.117) 11.909 4.406 ( -0.831 -1.472 1.022) 1.976 5.296 ( 10.434 -0.431 3.911) 11.151 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -14.972 -11.996 7.966) 20.774 1.495 ( -18.330 -0.615 5.429) 19.127 2.031 ( -1.418 3.219 -5.229) 6.302 2.216 ( -9.436 -4.245 -1.826) 10.506 2.436 ( -19.430 -6.202 3.009) 20.616 2.791 ( 6.905 3.207 -5.898) 9.631 3.605 ( -0.693 -1.812 -0.932) 2.152 3.687 ( -0.458 0.481 1.254) 1.419 4.007 ( -2.806 -0.362 -1.150) 3.054 4.341 ( 8.285 6.711 -4.360) 11.519 4.433 ( 4.928 1.428 2.752) 5.823 5.466 ( 9.198 -0.536 2.884) 9.654 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -16.085 -11.147 8.016) 21.148 1.172 ( -20.908 -1.795 2.770) 21.167 1.777 ( -30.803 -4.555 -0.168) 31.138 2.024 ( -0.907 2.468 -4.621) 5.316 2.243 ( -5.136 -3.337 1.411) 6.285 2.918 ( 6.078 2.342 -1.996) 6.812 3.574 ( -1.065 -0.572 -0.692) 1.393 3.697 ( 0.714 0.136 0.870) 1.134 3.935 ( -4.859 -0.311 -0.685) 4.917 4.445 ( 3.966 1.417 -2.966) 5.151 4.634 ( 11.335 4.181 1.343) 12.156 5.597 ( 6.911 -1.302 -0.290) 7.039 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 21.238 3.612) 21.543 0.957 ( 0.000 17.073 12.448) 21.129 1.442 ( 0.000 28.121 12.172) 30.642 1.914 ( 0.000 -1.588 -7.282) 7.453 2.166 ( 0.000 6.116 -4.457) 7.568 2.939 ( -0.000 -4.954 -3.404) 6.011 3.546 ( 0.000 1.051 -0.963) 1.426 3.733 ( -0.000 -1.145 1.476) 1.868 3.853 ( 0.000 4.996 -0.192) 5.000 4.404 ( 0.000 -2.679 -7.923) 8.364 4.786 ( -0.000 -7.907 3.595) 8.686 5.625 ( 0.000 -1.889 -7.016) 7.266 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.049 17.958 12.506) 22.255 1.177 ( 1.654 20.617 -0.620) 20.692 1.819 ( 7.492 15.359 -1.877) 17.192 1.963 ( 10.572 7.537 3.123) 13.354 2.197 ( -0.791 5.163 -5.957) 7.923 2.893 ( 0.938 -4.354 -0.864) 4.537 3.564 ( 0.971 1.142 -0.383) 1.547 3.712 ( -1.261 -0.434 0.612) 1.467 3.934 ( 3.476 3.375 0.678) 4.892 4.360 ( 0.800 -3.624 -5.325) 6.490 4.698 ( -1.230 -11.408 4.947) 12.495 5.519 ( -6.988 -2.357 -7.766) 10.710 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -1.520 16.107 8.586) 18.316 1.396 ( 3.151 18.709 -3.352) 19.266 1.958 ( 7.168 3.535 -7.317) 10.836 2.211 ( -0.272 3.915 -3.934) 5.557 2.366 ( 14.283 14.820 4.667) 21.105 2.892 ( 3.131 -2.874 3.208) 5.325 3.594 ( 1.519 0.857 0.649) 1.861 3.696 ( -0.936 0.633 -0.066) 1.132 4.005 ( 1.954 0.943 -0.021) 2.169 4.330 ( 0.790 -2.634 -3.140) 4.174 4.559 ( -4.208 -10.882 5.197) 12.773 5.326 ( -9.138 -3.835 -8.133) 12.820 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 1.380 12.343 2.546) 12.678 1.620 ( 4.121 17.006 -2.866) 17.731 2.106 ( 7.179 4.687 -2.917) 9.056 2.245 ( 0.849 4.329 -1.694) 4.726 2.643 ( 7.426 2.675 -0.619) 7.918 2.986 ( 6.442 2.676 5.803) 9.074 3.634 ( 2.141 0.347 1.699) 2.755 3.691 ( -0.870 1.601 -0.221) 1.836 4.011 ( -0.633 -1.222 -1.558) 2.078 4.323 ( 1.156 -0.423 -1.434) 1.890 4.392 ( -7.690 -5.169 3.364) 9.857 5.119 ( -6.366 -6.770 -6.464) 11.320 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 3.626 9.982 -0.192) 10.622 1.823 ( 3.248 13.848 -3.338) 14.610 2.235 ( 2.421 4.055 1.761) 5.041 2.319 ( 3.528 4.416 0.083) 5.653 2.711 ( 2.301 -1.721 -1.287) 3.148 3.111 ( 2.714 1.877 2.278) 4.010 3.673 ( 0.704 0.083 2.476) 2.576 3.704 ( 1.208 1.881 -0.425) 2.276 3.963 ( -1.981 -2.227 -1.875) 3.522 4.220 ( -10.255 1.390 1.568) 10.467 4.389 ( 5.017 2.654 -1.077) 5.777 4.955 ( -2.552 -9.388 -3.437) 10.318 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.648 7.706 -1.723) 8.698 1.969 ( 1.941 10.165 -3.526) 10.933 2.266 ( -2.540 0.949 4.793) 5.507 2.418 ( 3.578 1.851 -0.025) 4.029 2.695 ( -3.849 2.641 -3.303) 5.718 3.143 ( 0.319 0.908 2.482) 2.662 3.673 ( -0.900 -0.252 1.071) 1.421 3.752 ( 2.336 0.874 -0.192) 2.502 3.917 ( -0.556 -1.105 -0.581) 1.367 4.096 ( -8.899 5.758 0.039) 10.600 4.528 ( 8.315 2.248 0.097) 8.614 4.823 ( -1.597 -9.882 -1.463) 10.116 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.163 3.731 -2.391) 4.581 2.061 ( 0.333 6.675 -1.764) 6.912 2.210 ( -4.607 -1.613 4.086) 6.365 2.444 ( -0.147 -2.451 -1.116) 2.697 2.635 ( -7.257 8.597 -5.449) 12.500 3.183 ( 0.609 2.958 5.329) 6.125 3.650 ( -0.914 -1.541 -0.401) 1.836 3.782 ( 0.606 -0.114 -0.267) 0.672 3.926 ( 1.765 0.338 1.203) 2.163 4.040 ( -5.713 8.348 -0.555) 10.131 4.631 ( -0.352 -4.658 -0.728) 4.727 4.754 ( 7.319 -4.428 0.753) 8.587 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -3.156 -2.087 0.306) 3.796 2.082 ( -3.980 1.850 1.565) 4.660 2.141 ( -3.645 2.065 0.868) 4.279 2.379 ( -2.650 -3.574 -1.888) 4.833 2.602 ( -4.739 9.227 -6.348) 12.161 3.213 ( -3.470 2.163 4.732) 6.254 3.616 ( -0.474 -2.221 -1.109) 2.527 3.767 ( -1.549 -0.786 0.261) 1.756 3.972 ( 2.543 0.173 1.464) 2.940 4.067 ( -2.096 10.833 -1.117) 11.090 4.512 ( -4.523 -5.287 -0.555) 6.980 4.905 ( 12.234 -3.571 1.760) 12.866 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -8.163 -6.132 4.101) 11.003 1.968 ( -10.021 -0.333 0.729) 10.053 2.129 ( -3.536 5.108 -0.188) 6.215 2.302 ( -1.715 -3.510 -0.239) 3.914 2.624 ( 0.723 6.440 -6.243) 8.998 3.089 ( -13.570 -1.490 1.496) 13.733 3.596 ( 0.672 -1.760 -0.334) 1.914 3.732 ( -1.861 -0.357 0.707) 2.022 4.018 ( 2.349 -0.116 0.404) 2.386 4.153 ( 0.709 10.182 -1.502) 10.317 4.414 ( -2.384 -2.540 0.108) 3.485 5.086 ( 13.132 -3.628 1.856) 13.750 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -13.683 -6.692 4.859) 15.988 1.761 ( -14.175 -1.165 -0.284) 14.226 2.105 ( -4.161 4.489 -2.820) 6.740 2.254 ( -1.278 -2.818 1.652) 3.508 2.701 ( 2.190 2.249 -7.186) 7.842 2.774 ( -19.371 -0.786 4.511) 19.905 3.592 ( 0.244 -0.906 0.094) 0.943 3.707 ( -1.201 -0.052 0.623) 1.354 4.034 ( -0.447 -0.080 -0.466) 0.651 4.281 ( 5.374 6.582 -1.553) 8.638 4.388 ( 1.240 -1.053 0.751) 1.792 5.274 ( 12.365 -2.631 0.291) 12.645 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -16.755 -4.009 3.961) 17.677 1.470 ( -18.232 -3.122 -3.025) 18.743 2.068 ( -3.206 2.537 -3.818) 5.594 2.180 ( -10.025 1.263 3.291) 10.627 2.361 ( -19.482 -1.816 -1.298) 19.610 2.841 ( 5.605 3.008 1.804) 6.611 3.587 ( -0.620 0.514 0.171) 0.823 3.693 ( -0.289 -0.636 0.211) 0.730 4.005 ( -3.024 0.580 0.023) 3.080 4.389 ( 3.091 1.345 -2.949) 4.479 4.481 ( 10.135 -0.078 3.320) 10.665 5.433 ( 9.803 -2.312 -3.231) 10.578 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.000 18.687 1.565) 18.752 1.350 ( 0.000 17.122 7.987) 18.893 1.841 ( 0.000 -1.249 -6.542) 6.661 2.022 ( 0.000 25.720 7.001) 26.655 2.220 ( 0.000 3.370 -9.281) 9.874 2.848 ( -0.000 -3.616 2.682) 4.502 3.570 ( 0.000 2.134 -0.828) 2.289 3.720 ( -0.000 -0.951 1.139) 1.484 3.937 ( 0.000 3.483 -0.049) 3.483 4.296 ( 0.000 -4.762 -3.991) 6.214 4.608 ( -0.000 -11.810 4.032) 12.479 5.530 ( 0.000 -3.683 -6.832) 7.761 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -3.780 14.310 0.443) 14.807 1.535 ( 0.901 17.256 4.684) 17.903 1.863 ( 5.320 2.576 -5.657) 8.182 2.219 ( 0.608 2.079 -8.356) 8.632 2.340 ( 7.931 17.515 3.109) 19.477 2.849 ( 1.399 -0.575 6.623) 6.794 3.595 ( 0.453 2.128 0.139) 2.180 3.710 ( -0.456 -0.067 0.227) 0.513 3.984 ( 1.870 1.652 -0.350) 2.520 4.255 ( 2.294 -5.469 -1.751) 6.184 4.502 ( -1.092 -10.031 2.555) 10.409 5.409 ( -6.982 -4.638 -6.529) 10.625 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.810 9.753 -1.615) 10.050 1.740 ( 1.343 17.226 5.036) 17.997 2.012 ( 8.820 5.338 -4.323) 11.179 2.246 ( 2.380 3.364 -5.619) 6.968 2.549 ( 5.059 1.519 0.179) 5.285 2.953 ( 4.746 7.065 6.632) 10.790 3.625 ( 0.757 1.463 1.894) 2.511 3.710 ( -0.041 0.990 -0.534) 1.125 4.005 ( -0.100 -0.376 -1.521) 1.570 4.261 ( 4.330 -4.482 0.076) 6.232 4.407 ( -1.694 -5.443 1.125) 5.810 5.191 ( -10.408 -5.841 -5.747) 13.246 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 1.568 9.460 0.172) 9.591 1.913 ( 0.683 12.745 1.881) 12.901 2.200 ( 7.160 6.012 -0.750) 9.379 2.324 ( 2.559 4.776 -0.545) 5.446 2.603 ( 5.753 -3.882 -1.865) 7.187 3.103 ( 2.552 5.768 1.274) 6.435 3.659 ( 1.312 0.516 2.982) 3.299 3.720 ( -0.178 1.521 -0.506) 1.613 3.969 ( -1.902 -1.791 -1.920) 3.242 4.296 ( 2.644 -2.978 1.519) 4.262 4.368 ( -0.294 2.303 -0.873) 2.481 4.945 ( -8.735 -7.941 -3.846) 12.416 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.908 9.511 1.327) 9.791 2.025 ( 1.020 8.114 -0.783) 8.215 2.315 ( 0.004 2.100 2.859) 3.548 2.383 ( 1.926 0.404 1.933) 2.759 2.709 ( 6.606 5.337 -4.351) 9.542 3.148 ( -0.282 1.872 -1.295) 2.293 3.685 ( 0.224 -0.672 2.238) 2.347 3.731 ( 0.494 1.042 -0.280) 1.186 3.917 ( -1.366 -1.379 -1.094) 2.228 4.276 ( -4.902 3.460 0.182) 6.003 4.441 ( 4.815 2.863 -0.173) 5.604 4.749 ( -3.288 -10.090 -1.503) 10.718 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.800 7.341 0.655) 7.413 2.104 ( 0.974 5.353 -0.981) 5.529 2.271 ( -3.897 -2.930 3.425) 5.958 2.411 ( 1.069 -1.896 -0.290) 2.196 2.820 ( -3.336 12.142 -5.154) 13.606 3.183 ( 3.455 1.594 1.741) 4.184 3.660 ( -2.082 -1.143 0.208) 2.384 3.754 ( 1.837 -0.912 0.104) 2.054 3.904 ( 0.967 -0.428 0.414) 1.135 4.226 ( -6.680 7.588 -0.476) 10.121 4.548 ( 5.792 -0.466 0.330) 5.820 4.630 ( 0.369 -9.150 -0.355) 9.164 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -4.736 2.233 0.255) 5.242 2.143 ( -1.227 2.068 0.136) 2.409 2.202 ( -2.112 -0.262 1.782) 2.776 2.379 ( -1.587 -2.941 -0.939) 3.471 2.803 ( -8.884 10.387 -4.726) 14.462 3.269 ( 1.697 2.598 3.184) 4.446 3.611 ( -1.853 -1.582 -0.759) 2.552 3.766 ( 0.785 -1.529 0.235) 1.735 3.932 ( 2.349 -0.505 0.958) 2.587 4.217 ( -4.043 9.591 -0.689) 10.431 4.521 ( -2.409 -4.878 -0.325) 5.450 4.676 ( 9.971 -4.968 0.732) 11.164 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -7.258 -1.794 1.179) 7.569 2.093 ( -5.422 0.094 -1.051) 5.523 2.210 ( -0.380 2.620 3.001) 4.002 2.309 ( -3.235 -2.517 -0.612) 4.144 2.727 ( -7.254 6.182 -3.817) 10.267 3.257 ( -6.293 -0.011 0.826) 6.347 3.579 ( -0.298 -0.637 0.477) 0.849 3.753 ( -0.903 -0.783 0.220) 1.215 3.971 ( 2.792 -0.592 0.081) 2.855 4.250 ( -2.143 7.138 -0.679) 7.484 4.438 ( -3.137 -1.996 -0.073) 3.719 4.826 ( 13.367 -4.240 0.373) 14.028 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -10.312 -2.313 1.038) 10.619 1.953 ( -10.666 -0.761 -2.577) 10.999 2.218 ( -5.399 2.068 -0.381) 5.794 2.243 ( 0.402 -1.417 3.353) 3.662 2.691 ( -0.857 2.892 -2.225) 3.748 3.074 ( -14.526 -0.493 0.554) 14.545 3.586 ( 0.398 0.499 1.510) 1.639 3.727 ( -1.436 -0.514 -0.052) 1.526 4.011 ( 2.477 -0.303 -0.780) 2.615 4.272 ( 0.573 1.161 0.282) 1.326 4.385 ( -1.809 -0.262 -0.310) 1.854 5.029 ( 13.940 -1.419 -1.504) 14.093 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -13.992 0.307 -0.364) 14.000 1.709 ( -15.547 -2.388 -5.240) 16.580 2.140 ( -4.187 -0.080 0.051) 4.188 2.243 ( -1.532 0.848 0.574) 1.842 2.676 ( -8.792 0.951 -3.193) 9.402 2.864 ( -7.511 3.801 7.587) 11.332 3.605 ( 0.070 1.659 1.349) 2.140 3.697 ( -1.235 -1.045 -0.439) 1.676 4.033 ( 0.256 0.202 -0.670) 0.745 4.316 ( 6.403 -3.998 2.120) 7.841 4.371 ( 0.458 -0.086 -0.895) 1.009 5.226 ( 11.545 -0.444 -4.714) 12.478 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 11.698 -4.625) 12.579 1.650 ( 0.000 9.213 -5.346) 10.652 1.840 ( -0.000 5.761 4.814) 7.507 2.199 ( 0.000 2.026 -9.083) 9.307 2.444 ( 0.000 11.981 4.102) 12.664 2.882 ( -0.000 5.418 8.991) 10.497 3.616 ( 0.000 2.861 -0.363) 2.884 3.712 ( -0.000 -0.376 0.341) 0.508 3.979 ( 0.000 1.037 -0.495) 1.149 4.163 ( -0.000 -8.369 0.607) 8.391 4.440 ( -0.000 -5.443 -0.099) 5.444 5.400 ( 0.000 -5.995 -5.889) 8.403 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -2.534 4.321 -7.693) 9.180 1.842 ( 10.752 7.299 -6.067) 14.342 1.942 ( -0.472 9.786 5.787) 11.379 2.224 ( 1.790 4.630 -4.698) 6.834 2.522 ( 0.457 -0.361 4.678) 4.714 3.009 ( 1.901 11.530 6.531) 13.387 3.643 ( 0.032 2.395 0.971) 2.585 3.712 ( 0.272 0.324 -0.476) 0.636 3.995 ( 0.868 0.241 -1.331) 1.607 4.112 ( 4.108 -9.249 1.941) 10.305 4.401 ( -0.973 -0.391 -1.175) 1.575 5.264 ( -6.613 -6.862 -5.215) 10.863 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 3.045 5.116 -3.399) 6.856 2.009 ( 3.919 2.168 -3.015) 5.399 2.116 ( 8.222 12.417 2.617) 15.121 2.311 ( 3.489 5.831 -1.906) 7.057 2.503 ( 0.327 -5.548 3.837) 6.754 3.152 ( 0.744 9.034 1.268) 9.153 3.665 ( -0.031 0.867 2.838) 2.968 3.725 ( 0.692 1.038 -1.015) 1.608 3.980 ( -1.552 -0.770 -2.000) 2.646 4.149 ( 8.342 -6.632 1.653) 10.785 4.400 ( -0.709 3.798 -0.751) 3.936 5.036 ( -10.439 -7.196 -3.973) 13.287 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 5.326 6.776 0.237) 8.622 2.073 ( 1.555 3.694 -0.787) 4.084 2.324 ( 3.452 5.645 2.176) 6.966 2.379 ( -1.174 -2.368 3.301) 4.229 2.566 ( 12.487 4.083 -2.440) 13.362 3.199 ( -2.430 4.686 -2.649) 5.906 3.674 ( 0.277 -1.013 2.604) 2.808 3.742 ( 0.120 1.206 -0.572) 1.340 3.935 ( -2.247 -0.452 -1.476) 2.726 4.246 ( 7.730 -2.854 0.701) 8.270 4.440 ( 0.240 4.950 0.014) 4.956 4.781 ( -10.237 -7.112 -2.208) 12.659 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 2.595 6.555 1.278) 7.165 2.129 ( 1.028 3.723 -0.193) 3.867 2.300 ( -3.221 -5.188 2.086) 6.453 2.385 ( 0.658 0.245 0.706) 0.996 2.859 ( 12.210 9.827 -1.653) 15.760 3.171 ( -2.692 1.942 -2.547) 4.184 3.672 ( 0.336 -1.528 1.152) 1.943 3.738 ( -1.355 -0.131 -0.109) 1.366 3.899 ( -1.028 -0.118 -0.381) 1.102 4.335 ( 2.689 2.119 0.053) 3.424 4.485 ( 0.939 1.630 0.180) 1.889 4.577 ( -5.034 -6.425 -0.581) 8.183 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -3.901 2.944 0.939) 4.976 2.170 ( 0.001 1.955 0.401) 1.995 2.217 ( -1.229 -2.841 0.245) 3.105 2.376 ( -0.833 -1.208 0.065) 1.469 3.024 ( -6.230 9.751 -2.636) 11.868 3.203 ( 7.948 -0.761 0.559) 8.004 3.651 ( -3.295 0.610 -0.280) 3.362 3.716 ( 1.913 -2.970 0.746) 3.611 3.899 ( 1.073 -0.308 0.172) 1.130 4.362 ( -3.852 6.434 -0.462) 7.513 4.490 ( 2.098 -5.107 0.093) 5.522 4.519 ( 2.479 -2.229 0.255) 3.344 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -7.428 -0.619 0.656) 7.483 2.153 ( -2.352 -0.032 -0.907) 2.521 2.215 ( 0.803 -0.634 1.647) 1.939 2.349 ( -1.977 0.625 0.582) 2.153 2.921 ( -10.545 2.575 -0.831) 10.887 3.285 ( 1.571 -1.947 -1.924) 3.156 3.604 ( -2.201 0.878 1.414) 2.760 3.741 ( 1.788 -0.480 -0.031) 1.852 3.922 ( 2.140 -0.528 -0.417) 2.243 4.337 ( -3.506 0.611 -0.089) 3.560 4.472 ( -1.662 0.162 0.255) 1.689 4.602 ( 9.666 -0.690 -0.352) 9.697 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -8.386 -0.034 -0.427) 8.397 2.079 ( -6.206 -0.633 -2.446) 6.701 2.217 ( 0.349 -3.191 3.320) 4.618 2.328 ( -3.274 3.555 1.554) 5.077 2.768 ( -7.082 -1.147 0.490) 7.191 3.216 ( -4.993 -2.847 -3.107) 6.534 3.604 ( -0.543 1.573 2.800) 3.257 3.745 ( -1.016 0.261 -0.587) 1.202 3.957 ( 2.869 -0.368 -1.367) 3.199 4.263 ( -1.783 -6.191 0.653) 6.476 4.441 ( -3.476 2.297 0.149) 4.169 4.804 ( 12.712 2.814 -1.890) 13.156 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -10.379 2.574 -3.097) 11.133 1.905 ( -12.137 -1.805 -5.072) 13.277 2.180 ( -1.974 -3.379 4.040) 5.625 2.310 ( -3.755 3.467 0.545) 5.139 2.705 ( 0.178 -1.256 2.333) 2.656 3.080 ( -8.738 0.558 0.727) 8.786 3.624 ( 0.110 1.651 2.534) 3.027 3.716 ( -2.100 0.105 -0.899) 2.286 3.998 ( 2.887 -0.457 -1.730) 3.397 4.185 ( 1.850 -9.620 1.978) 9.994 4.406 ( -3.380 2.691 -0.733) 4.382 5.029 ( 11.685 2.536 -4.144) 12.654 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 1.225 -7.234) 7.337 1.684 ( 0.000 -0.045 -12.008) 12.008 2.078 ( 0.000 10.832 6.276) 12.519 2.259 ( 0.000 7.028 -0.849) 7.079 2.520 ( -0.000 -4.166 6.552) 7.764 3.132 ( 0.000 12.538 4.754) 13.410 3.670 ( 0.000 2.611 0.422) 2.644 3.709 ( 0.000 0.228 -0.712) 0.748 3.960 ( -0.000 -5.195 2.095) 5.602 4.016 ( -0.000 -4.018 -0.922) 4.122 4.421 ( 0.000 3.681 -1.303) 3.905 5.232 ( -0.000 -8.141 -4.761) 9.431 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 1.268 1.500 -5.294) 5.646 1.800 ( 11.685 -1.704 -8.640) 14.632 2.201 ( 1.570 9.956 4.845) 11.183 2.333 ( 0.712 6.242 0.333) 6.292 2.478 ( -1.138 -5.896 5.742) 8.309 3.247 ( -0.601 9.173 1.306) 9.285 3.688 ( -0.638 0.976 1.974) 2.293 3.717 ( 0.785 0.977 -1.403) 1.882 3.958 ( 6.312 -6.905 2.144) 9.598 3.989 ( -0.698 -0.111 -1.970) 2.093 4.462 ( -0.855 6.755 -0.395) 6.820 5.088 ( -5.772 -8.504 -3.889) 10.989 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 7.059 3.403 -0.891) 7.887 1.962 ( 11.343 -1.174 -4.914) 12.417 2.353 ( 2.854 7.799 3.869) 9.162 2.380 ( -0.455 -1.451 1.796) 2.353 2.442 ( 3.831 -0.095 1.609) 4.157 3.285 ( -2.706 5.208 -1.872) 6.160 3.678 ( -0.984 -1.141 1.906) 2.429 3.742 ( 0.962 1.293 -0.604) 1.721 3.963 ( -1.391 0.287 -1.570) 2.117 4.055 ( 9.886 -3.867 0.893) 10.653 4.512 ( -1.601 7.240 0.538) 7.434 4.873 ( -9.048 -7.473 -2.569) 12.013 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 7.579 2.642 0.113) 8.027 2.102 ( 6.202 1.473 -1.267) 6.500 2.310 ( -3.406 -4.330 1.742) 5.778 2.401 ( -0.902 1.224 0.537) 1.613 2.666 ( 15.730 3.853 1.078) 16.230 3.260 ( -4.144 3.389 -2.089) 5.746 3.654 ( -0.324 -1.758 0.813) 1.964 3.759 ( -0.231 0.723 -0.172) 0.778 3.933 ( -2.404 0.704 -0.794) 2.628 4.203 ( 10.334 -1.646 0.401) 10.472 4.538 ( -2.485 4.384 0.726) 5.091 4.654 ( -8.994 -4.606 -1.284) 10.186 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 3.357 -0.890 -0.385) 3.495 2.183 ( 2.184 0.461 -0.289) 2.251 2.217 ( -3.559 -1.196 0.113) 3.756 2.384 ( -0.945 -0.525 -0.293) 1.120 2.968 ( 16.196 0.223 1.007) 16.228 3.204 ( -5.779 2.326 0.153) 6.232 3.651 ( 1.601 -0.821 -0.118) 1.803 3.733 ( -3.489 0.018 -0.307) 3.502 3.900 ( -1.413 0.246 0.022) 1.435 4.351 ( 7.935 -0.067 0.230) 7.939 4.499 ( -6.392 -0.441 -0.400) 6.420 4.518 ( -2.376 0.586 0.222) 2.457 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -3.256 -3.996 -0.434) 5.173 2.166 ( -0.266 -1.459 -0.100) 1.487 2.211 ( -0.788 0.861 -0.255) 1.195 2.377 ( -0.030 1.269 0.115) 1.274 3.066 ( -5.069 -6.726 1.578) 8.569 3.188 ( 4.719 0.681 -0.796) 4.834 3.658 ( -2.273 -1.096 0.336) 2.546 3.705 ( 1.972 2.978 -0.386) 3.592 3.896 ( 0.510 0.051 -0.152) 0.534 4.369 ( -3.629 -6.208 0.190) 7.194 4.492 ( 2.607 5.629 0.195) 6.206 4.513 ( 1.756 1.692 -0.334) 2.461 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -5.092 -1.497 -0.264) 5.315 2.133 ( -2.380 -1.614 -0.954) 3.030 2.195 ( -0.287 -1.813 1.257) 2.225 2.399 ( -0.622 3.178 1.097) 3.419 2.872 ( -8.836 -7.820 2.179) 11.999 3.201 ( 0.115 -3.745 -3.490) 5.121 3.636 ( -0.668 0.906 1.584) 1.943 3.759 ( 0.654 1.975 -0.427) 2.124 3.913 ( 1.610 0.084 -1.007) 1.900 4.227 ( -3.693 -9.507 0.378) 10.206 4.531 ( -2.354 5.262 0.741) 5.812 4.656 ( 9.181 4.744 -1.288) 10.414 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -6.982 2.662 -2.948) 8.033 2.034 ( -7.121 -2.190 -3.418) 8.197 2.178 ( -0.218 -3.038 4.283) 5.255 2.408 ( -2.948 3.400 1.141) 4.643 2.697 ( -2.980 -6.661 3.192) 7.965 3.140 ( -1.632 -2.906 -2.460) 4.142 3.645 ( -0.183 0.896 1.856) 2.069 3.759 ( -1.943 1.357 -0.526) 2.428 3.940 ( 2.329 -0.435 -1.763) 2.954 4.086 ( -1.361 -10.688 0.902) 10.812 4.523 ( -5.218 5.768 0.497) 7.794 4.863 ( 10.792 3.455 -2.593) 11.625 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 -1.613 -6.629) 6.823 1.659 ( 0.000 1.123 -2.776) 2.995 2.268 ( 0.000 5.794 2.328) 6.244 2.388 ( 0.000 4.813 1.145) 4.948 2.448 ( -0.000 -5.562 4.580) 7.205 3.333 ( 0.000 6.406 -0.046) 6.406 3.706 ( 0.000 0.242 0.010) 0.242 3.719 ( 0.000 1.686 -0.284) 1.710 3.849 ( -0.000 -5.569 2.313) 6.030 3.990 ( 0.000 0.258 -1.700) 1.719 4.547 ( 0.000 8.808 0.429) 8.818 5.039 ( -0.000 -9.009 -3.335) 9.607 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 5.122 1.277 -1.016) 5.375 1.754 ( 9.808 0.799 -1.130) 9.905 2.340 ( 3.398 2.478 0.049) 4.205 2.395 ( -0.763 -3.448 4.028) 5.357 2.430 ( -0.473 1.676 0.109) 1.745 3.360 ( -1.718 3.133 -1.918) 4.055 3.691 ( -1.352 -0.832 0.086) 1.590 3.738 ( 0.688 1.105 0.347) 1.347 3.875 ( 6.911 -2.632 0.960) 7.457 3.985 ( -0.512 0.540 -1.154) 1.373 4.617 ( -1.603 7.207 0.943) 7.443 4.911 ( -4.779 -6.526 -2.130) 8.364 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 7.879 0.260 -0.070) 7.883 1.964 ( 11.574 2.858 1.930) 12.077 2.330 ( -2.246 -2.431 -0.679) 3.379 2.418 ( -0.275 -1.811 -1.019) 2.096 2.476 ( 8.890 0.462 2.306) 9.195 3.336 ( -2.631 1.166 -1.580) 3.283 3.656 ( -1.381 -1.182 -0.534) 1.895 3.760 ( 0.684 0.351 0.573) 0.959 3.972 ( -1.363 0.995 -0.647) 1.807 4.014 ( 10.472 -0.533 0.448) 10.495 4.613 ( -3.017 -1.242 0.132) 3.265 4.773 ( -7.961 2.026 -0.164) 8.216 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.871 -3.019 -0.740) 7.542 2.129 ( 4.249 0.040 1.312) 4.447 2.269 ( -2.323 0.824 -2.572) 3.562 2.381 ( -0.514 -2.674 -1.178) 2.967 2.686 ( 15.787 -2.697 2.978) 16.290 3.292 ( -3.139 -0.345 1.213) 3.382 3.630 ( -0.060 -0.331 -1.644) 1.678 3.764 ( -0.572 -0.310 0.284) 0.710 3.943 ( -2.600 0.452 0.243) 2.650 4.201 ( 10.475 1.341 0.261) 10.564 4.525 ( -2.461 -4.418 -0.607) 5.094 4.675 ( -9.446 5.635 0.820) 11.030 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 2.441 -6.943 -1.526) 7.516 2.136 ( 1.009 -3.236 0.690) 3.459 2.256 ( -2.371 2.561 -2.575) 4.338 2.366 ( 1.709 -0.692 -1.193) 2.196 2.894 ( 11.567 -7.481 1.950) 13.912 3.230 ( -3.859 -1.502 3.569) 5.467 3.641 ( 1.524 0.371 -2.175) 2.681 3.740 ( -1.649 0.539 0.072) 1.736 3.910 ( -1.723 0.700 0.758) 2.008 4.335 ( 2.958 -2.232 0.096) 3.707 4.479 ( 1.099 -1.402 -0.453) 1.838 4.590 ( -5.832 7.043 0.787) 9.177 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.955 -5.847 0.128) 5.926 2.123 ( 0.480 -3.628 1.135) 3.832 2.213 ( -2.814 0.120 -2.586) 3.824 2.407 ( 2.486 1.453 -0.725) 2.970 2.879 ( -2.057 -11.355 0.635) 11.557 3.177 ( -1.718 -2.144 1.675) 3.218 3.648 ( -0.020 0.313 -1.206) 1.246 3.756 ( 1.634 1.417 0.290) 2.182 3.905 ( -0.284 0.968 0.621) 1.185 4.229 ( -6.481 -7.775 -0.103) 10.122 4.538 ( 5.848 0.608 -0.739) 5.926 4.645 ( -0.250 9.842 1.209) 9.919 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -0.361 -0.625 -0.000) 0.722 2.077 ( -2.248 -3.893 -0.000) 4.496 2.167 ( -0.947 -1.640 -0.000) 1.894 2.455 ( 1.006 1.743 -0.000) 2.013 2.695 ( -5.549 -9.611 -0.000) 11.097 3.125 ( -1.694 -2.934 -0.000) 3.388 3.654 ( 0.294 0.508 -0.000) 0.587 3.784 ( 0.298 0.516 -0.000) 0.596 3.915 ( 0.260 0.450 -0.000) 0.520 4.045 ( -5.045 -8.738 -0.000) 10.090 4.639 ( 2.032 3.519 0.000) 4.063 4.746 ( 3.687 6.386 -0.000) 7.374 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.000 3.665 3.299) 4.931 1.682 ( -0.000 1.528 1.766) 2.335 2.315 ( 0.000 -1.283 -1.492) 1.968 2.377 ( -0.000 -2.697 1.322) 3.003 2.445 ( -0.000 -0.099 0.041) 0.107 3.382 ( 0.000 0.014 -3.171) 3.171 3.702 ( 0.000 -0.116 -1.163) 1.169 3.742 ( -0.000 0.252 1.138) 1.165 3.794 ( -0.000 -1.093 0.925) 1.432 3.993 ( 0.000 0.786 -0.708) 1.058 4.669 ( -0.000 -1.158 0.339) 1.206 4.921 ( 0.000 2.354 -0.273) 2.370 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 2.345 2.055 3.596) 4.760 1.823 ( 10.734 4.684 5.959) 13.140 2.299 ( 1.968 -5.107 -4.211) 6.905 2.358 ( 0.327 -1.628 -0.053) 1.662 2.433 ( 0.085 -1.748 0.310) 1.777 3.350 ( -0.712 -2.763 -3.080) 4.198 3.673 ( -1.947 -0.555 -1.348) 2.432 3.751 ( 0.632 -0.423 1.231) 1.447 3.867 ( 7.434 1.443 0.125) 7.574 3.995 ( -0.582 0.902 -0.112) 1.079 4.606 ( -1.663 -7.295 -0.183) 7.484 4.943 ( -4.977 8.867 1.174) 10.236 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 4.356 -1.517 2.016) 5.034 2.056 ( 7.076 2.595 4.352) 8.704 2.251 ( 2.332 -5.586 -6.093) 8.589 2.350 ( 0.115 -2.155 -0.673) 2.260 2.465 ( 7.373 -2.007 2.968) 8.198 3.298 ( -0.236 -4.968 -0.746) 5.029 3.634 ( -1.350 -0.239 -2.366) 2.735 3.758 ( 0.541 -0.969 0.895) 1.425 3.984 ( -1.389 0.717 0.624) 1.683 4.048 ( 10.272 3.394 0.108) 10.819 4.505 ( -1.822 -6.454 -0.135) 6.707 4.911 ( -9.600 8.705 1.346) 13.029 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 2.872 -6.457 -0.691) 7.100 2.078 ( 1.163 -5.763 0.221) 5.883 2.283 ( 4.244 -0.031 -3.640) 5.591 2.313 ( -1.562 -1.928 -1.884) 3.116 2.642 ( 12.445 -2.920 5.107) 13.766 3.243 ( -0.266 -6.063 1.983) 6.385 3.618 ( 0.543 0.332 -3.213) 3.276 3.752 ( -0.305 -1.151 0.376) 1.248 3.960 ( -2.454 1.205 1.172) 2.974 4.241 ( 7.841 2.141 0.195) 8.131 4.439 ( 0.131 -4.012 -0.089) 4.015 4.816 ( -10.976 8.403 1.406) 13.895 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.179 -8.292 -0.292) 8.885 2.056 ( 2.469 -6.630 2.433) 7.481 2.251 ( -2.869 -1.055 -3.993) 5.029 2.344 ( 4.621 -0.841 -1.963) 5.091 2.764 ( 4.702 -5.883 1.423) 7.664 3.188 ( -0.826 -4.821 2.967) 5.720 3.632 ( 1.443 0.383 -3.259) 3.585 3.740 ( 0.513 -0.907 0.599) 1.202 3.943 ( -1.893 2.005 1.632) 3.204 4.268 ( -4.335 -4.179 -0.564) 6.047 4.442 ( 4.053 -2.148 -0.059) 4.587 4.785 ( -4.016 11.534 2.187) 12.407 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.000 1.814 5.515) 5.805 1.751 ( -0.000 6.758 9.988) 12.060 2.202 ( -0.000 -8.358 -4.793) 9.635 2.338 ( 0.000 -2.247 -2.750) 3.551 2.416 ( -0.000 -0.995 -0.029) 0.995 3.293 ( -0.000 -7.281 -4.186) 8.399 3.687 ( 0.000 -0.722 -1.209) 1.409 3.741 ( -0.000 -1.072 1.318) 1.699 3.820 ( 0.000 3.821 -0.602) 3.868 4.010 ( 0.000 1.044 0.374) 1.109 4.545 ( -0.000 -7.746 0.234) 7.749 5.086 ( 0.000 10.493 1.568) 10.610 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -2.081 0.625 5.908) 6.295 1.962 ( 10.018 3.166 7.515) 12.917 2.097 ( 1.142 -12.178 -6.144) 13.688 2.314 ( 1.323 -2.571 -0.710) 2.977 2.421 ( 0.432 2.097 -0.326) 2.166 3.202 ( 1.404 -11.014 -3.417) 11.617 3.653 ( -1.992 -0.640 -1.611) 2.640 3.738 ( 0.628 -1.367 0.832) 1.719 3.935 ( 7.420 5.753 -0.338) 9.395 4.016 ( -0.700 1.027 0.830) 1.494 4.471 ( -1.099 -5.665 0.478) 5.791 5.139 ( -6.024 9.816 1.475) 11.611 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.302 -5.680 0.767) 5.878 1.974 ( 1.816 -11.149 -2.174) 11.504 2.140 ( 8.386 -3.781 0.881) 9.241 2.313 ( 0.079 -1.546 -1.455) 2.125 2.510 ( 5.940 4.580 4.928) 8.974 3.122 ( 3.816 -12.602 -1.903) 13.304 3.615 ( -1.090 -0.303 -2.261) 2.528 3.737 ( 0.504 -1.407 0.225) 1.512 4.011 ( -1.518 1.192 1.173) 2.259 4.136 ( 8.826 5.796 0.213) 10.561 4.411 ( -1.035 -3.178 0.422) 3.369 5.089 ( -10.685 8.843 1.564) 13.957 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.376 -10.318 -1.573) 10.528 1.927 ( 4.097 -10.653 2.784) 11.748 2.214 ( 4.932 -4.365 0.639) 6.617 2.279 ( -0.582 -0.905 -4.258) 4.392 2.663 ( 5.245 1.672 3.678) 6.621 3.081 ( 5.442 -10.968 -0.998) 12.284 3.605 ( 0.783 0.338 -2.622) 2.757 3.726 ( -0.094 -1.595 0.175) 1.607 4.001 ( -1.745 1.903 1.435) 2.954 4.276 ( 1.536 1.810 -0.656) 2.463 4.381 ( 0.495 -1.977 0.580) 2.119 5.009 ( -8.938 10.235 2.786) 13.870 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -0.000 1.604 8.127) 8.284 1.852 ( -0.000 -4.537 3.941) 6.010 1.949 ( -0.000 -13.770 -7.604) 15.730 2.286 ( -0.000 -0.820 3.021) 3.130 2.449 ( 0.000 4.563 -0.436) 4.584 3.043 ( -0.000 -15.969 -4.593) 16.616 3.660 ( -0.000 -1.489 -0.551) 1.587 3.721 ( -0.000 -1.440 0.517) 1.530 3.930 ( 0.000 7.306 -0.659) 7.336 4.038 ( 0.000 2.001 0.919) 2.202 4.439 ( -0.000 -3.158 0.587) 3.212 5.289 ( 0.000 9.508 1.183) 9.581 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -6.137 -10.211 -3.343) 12.373 1.805 ( 2.540 -13.366 -1.107) 13.650 1.967 ( 8.573 -2.952 2.760) 9.478 2.296 ( 0.242 -1.281 1.969) 2.361 2.521 ( 2.030 5.942 5.622) 8.428 2.895 ( 3.751 -17.245 -5.340) 18.438 3.627 ( -1.559 -1.368 -0.547) 2.145 3.715 ( 0.590 -1.102 -0.250) 1.275 4.016 ( 2.113 0.114 1.042) 2.358 4.102 ( 3.554 9.405 0.496) 10.067 4.414 ( -1.120 -0.462 0.153) 1.221 5.323 ( -6.483 8.548 1.029) 10.777 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -1.557 -15.002 -5.852) 16.178 1.746 ( 4.560 -13.265 2.737) 14.291 2.078 ( 6.974 -2.754 3.060) 8.098 2.271 ( -0.842 -2.330 -1.671) 2.988 2.629 ( 4.041 -0.934 7.849) 8.878 2.828 ( 7.423 -11.238 -6.740) 15.060 3.597 ( -0.387 -0.466 -0.948) 1.125 3.712 ( 0.219 -1.121 -0.370) 1.201 4.028 ( 0.225 -0.355 0.940) 1.030 4.269 ( 3.907 7.298 1.026) 8.341 4.394 ( -1.933 1.571 -0.576) 2.556 5.265 ( -9.586 8.399 2.111) 12.919 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 -17.798 -8.346) 19.658 1.632 ( -0.000 -15.499 -5.052) 16.302 1.897 ( -0.000 1.786 7.707) 7.911 2.274 ( -0.000 -5.018 0.736) 5.072 2.540 ( -0.000 -9.166 12.224) 15.279 2.713 ( 0.000 -3.218 -8.568) 9.153 3.625 ( -0.000 -2.159 0.679) 2.263 3.700 ( 0.000 -0.497 -0.932) 1.057 3.995 ( -0.000 -0.928 1.374) 1.658 4.174 ( 0.000 10.879 1.582) 10.993 4.433 ( 0.000 2.587 -0.990) 2.770 5.459 ( 0.000 7.802 0.319) 7.809 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -4.203 -19.044 -9.619) 21.745 1.529 ( 5.456 -16.299 -2.009) 17.305 1.979 ( 4.665 0.396 6.252) 7.811 2.209 ( 2.849 -11.389 -0.846) 11.771 2.438 ( 3.211 -17.825 3.437) 18.435 2.763 ( 0.979 8.056 -0.188) 8.117 3.598 ( -0.801 -1.615 0.563) 1.889 3.698 ( 0.322 -0.165 -1.060) 1.120 3.997 ( 1.567 -2.542 1.057) 3.168 4.305 ( 2.078 9.033 3.631) 9.955 4.457 ( -1.375 6.285 -2.579) 6.932 5.477 ( -6.020 7.014 0.565) 9.260 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.000 -19.358 -9.521) 21.573 1.256 ( -0.000 -19.087 -7.975) 20.686 1.961 ( -0.000 -28.032 2.323) 28.128 1.971 ( -0.000 1.243 6.771) 6.884 2.318 ( -0.000 -7.746 -1.075) 7.821 2.845 ( 0.000 8.132 3.388) 8.810 3.590 ( -0.000 -2.038 1.263) 2.397 3.694 ( 0.000 0.738 -1.572) 1.736 3.954 ( -0.000 -4.022 1.582) 4.322 4.383 ( 0.000 6.921 5.194) 8.654 4.540 ( 0.000 10.665 -3.216) 11.140 5.590 ( 0.000 5.997 -0.740) 6.043 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 -0.000 20.414) 20.414 0.380 ( 0.000 -0.000 20.414) 20.414 0.619 ( 0.000 -0.000 33.577) 33.577 1.995 ( -0.000 0.000 -4.627) 4.627 1.995 ( -0.000 0.000 -4.627) 4.627 3.522 ( -0.000 0.000 -14.689) 14.689 3.539 ( -0.000 0.000 -0.486) 0.486 3.539 ( -0.000 0.000 -0.486) 0.486 3.751 ( 0.000 -0.000 1.158) 1.158 3.751 ( 0.000 -0.000 1.158) 1.158 4.676 ( 0.000 -0.000 7.376) 7.376 5.722 ( -0.000 0.000 -0.736) 0.736 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 6.439 3.718 13.976) 15.830 0.546 ( 6.062 3.500 18.891) 20.146 1.058 ( 24.095 13.911 19.974) 34.250 1.982 ( 1.640 0.947 -6.438) 6.711 2.018 ( 1.743 1.006 -3.642) 4.161 3.050 ( -6.010 -3.470 -3.667) 7.849 3.549 ( 0.698 0.403 -0.471) 0.934 3.737 ( -1.183 -0.683 1.152) 1.787 3.800 ( 4.703 2.715 1.138) 5.548 4.368 ( 13.953 8.056 -21.998) 27.267 4.804 ( 8.596 4.963 -0.127) 9.926 5.623 ( -7.135 -4.119 -3.433) 8.925 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 12.345 7.127 6.040) 15.481 0.773 ( 9.925 5.730 9.236) 14.719 1.642 ( 23.334 13.472 6.924) 27.820 2.034 ( 5.144 2.970 -2.910) 6.615 2.050 ( 1.952 1.127 -2.436) 3.319 2.975 ( -0.725 -0.419 -4.424) 4.503 3.569 ( 1.271 0.734 -0.766) 1.656 3.709 ( -1.583 -0.914 1.272) 2.226 3.921 ( 5.128 2.961 2.144) 6.298 4.421 ( -0.436 -0.252 -7.025) 7.043 4.869 ( -4.125 -2.381 4.852) 6.799 5.442 ( -6.383 -3.685 -11.086) 13.313 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 13.998 8.082 1.475) 16.230 1.018 ( 10.687 6.170 0.936) 12.376 1.995 ( 9.258 5.345 -11.243) 15.514 2.089 ( 2.060 1.190 -0.915) 2.549 2.298 ( 17.003 9.817 11.212) 22.610 2.978 ( 1.556 0.899 -0.528) 1.873 3.602 ( 1.998 1.154 -1.214) 2.607 3.680 ( -1.272 -0.735 1.440) 2.057 4.012 ( 2.325 1.342 0.937) 2.843 4.373 ( -1.941 -1.121 -3.496) 4.153 4.679 ( -13.869 -8.007 8.526) 18.143 5.295 ( -3.693 -2.132 -12.553) 13.257 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 10.592 6.115 -4.439) 13.011 1.302 ( 13.123 7.576 -1.590) 15.236 2.135 ( 1.997 1.153 0.993) 2.511 2.138 ( 7.278 4.202 -6.437) 10.585 2.654 ( 10.590 6.114 4.530) 13.041 3.040 ( 3.528 2.037 4.910) 6.380 3.640 ( 1.177 0.680 -1.057) 1.722 3.673 ( 0.837 0.483 1.031) 1.413 4.025 ( -0.995 -0.574 -1.131) 1.612 4.331 ( -3.257 -1.880 0.008) 3.761 4.368 ( -12.118 -6.996 3.188) 14.351 5.191 ( -3.297 -1.903 -7.782) 8.663 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 10.433 6.023 -6.906) 13.886 1.556 ( 10.400 6.004 -3.955) 12.643 2.180 ( 1.410 0.814 3.103) 3.504 2.284 ( 6.916 3.993 -2.234) 8.293 2.760 ( -1.039 -0.600 1.484) 1.908 3.130 ( 1.672 0.965 5.563) 5.889 3.648 ( 0.182 0.105 0.346) 0.405 3.718 ( 2.423 1.399 -0.497) 2.841 3.974 ( -2.666 -1.539 -1.660) 3.497 4.071 ( -10.694 -6.174 2.889) 12.682 4.400 ( 5.880 3.395 -1.469) 6.946 5.090 ( -4.490 -2.592 -3.814) 6.436 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 9.797 5.656 -7.788) 13.734 1.733 ( 7.033 4.061 -5.434) 9.772 2.206 ( -0.430 -0.248 4.721) 4.747 2.409 ( 4.176 2.411 -0.668) 4.868 2.660 ( -7.089 -4.093 -0.351) 8.193 3.136 ( -1.580 -0.912 5.670) 5.957 3.655 ( 0.301 0.174 0.554) 0.654 3.762 ( 1.627 0.939 -0.668) 1.994 3.912 ( -4.480 -2.587 0.808) 5.236 3.928 ( -1.066 -0.616 -0.314) 1.271 4.574 ( 9.189 5.305 -0.207) 10.612 4.965 ( -5.955 -3.438 -1.751) 7.096 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 6.901 3.985 -6.201) 10.097 1.839 ( 4.159 2.401 -5.531) 7.325 2.176 ( -3.796 -2.192 5.072) 6.704 2.438 ( -1.476 -0.852 -0.438) 1.760 2.508 ( -4.803 -2.773 -3.888) 6.773 3.137 ( 0.080 0.046 7.385) 7.386 3.662 ( 0.029 0.017 0.674) 0.675 3.781 ( 0.182 0.105 -0.628) 0.662 3.847 ( -1.488 -0.859 -1.272) 2.137 3.937 ( 1.388 0.802 1.685) 2.326 4.702 ( -2.185 -1.261 -1.115) 2.758 4.893 ( 4.119 2.378 0.992) 4.858 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.001 0.578 -2.759) 2.991 1.898 ( -1.012 -0.584 1.718) 2.078 2.067 ( -6.853 -3.957 2.594) 8.328 2.409 ( -2.185 -1.261 -6.418) 6.896 2.428 ( 1.679 0.969 -2.902) 3.490 3.145 ( -2.696 -1.556 5.281) 6.130 3.660 ( -0.364 -0.210 0.713) 0.828 3.767 ( -1.273 -0.735 -0.485) 1.548 3.842 ( 2.012 1.161 -1.895) 2.998 3.988 ( 2.384 1.376 1.808) 3.293 4.561 ( -7.027 -4.057 -0.738) 8.147 5.072 ( 8.846 5.107 2.458) 10.506 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -11.150 -6.437 8.045) 15.181 1.799 ( -8.975 -5.182 8.010) 13.099 1.969 ( 0.120 0.069 -7.768) 7.769 2.341 ( -2.162 -1.248 -1.008) 2.692 2.530 ( 7.657 4.421 -8.862) 12.518 2.988 ( -12.808 -7.395 0.805) 14.812 3.651 ( -0.555 -0.320 0.422) 0.767 3.727 ( -2.066 -1.193 -0.090) 2.387 3.942 ( 6.925 3.998 -1.854) 8.209 4.042 ( 2.460 1.421 0.490) 2.883 4.441 ( -3.322 -1.918 0.396) 3.856 5.269 ( 8.144 4.702 3.223) 9.941 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -15.640 -9.030 8.625) 20.013 1.568 ( -13.836 -7.988 8.718) 18.200 1.967 ( 1.230 0.710 -7.503) 7.636 2.282 ( -4.535 -2.618 -0.953) 5.322 2.611 ( -19.176 -11.072 2.571) 22.292 2.689 ( 8.011 4.625 -9.043) 12.936 3.632 ( -1.404 -0.810 -0.802) 1.808 3.690 ( -0.913 -0.527 1.134) 1.549 4.009 ( -0.711 -0.410 -1.625) 1.821 4.192 ( 10.797 6.234 -2.443) 12.705 4.421 ( 1.319 0.761 1.570) 2.187 5.447 ( 7.028 4.058 2.880) 8.611 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 15.624 11.133) 19.185 0.705 ( -0.000 13.518 16.306) 21.181 1.034 ( -0.000 18.971 24.363) 30.878 1.925 ( 0.000 -1.889 -6.976) 7.227 2.039 ( 0.000 5.350 -4.819) 7.200 3.036 ( -0.000 -8.658 -4.253) 9.646 3.533 ( 0.000 0.094 -0.677) 0.684 3.755 ( -0.000 -0.637 1.393) 1.532 3.763 ( 0.000 3.901 -0.311) 3.913 4.291 ( 0.000 17.618 -20.989) 27.403 4.803 ( 0.000 6.561 2.872) 7.162 5.651 ( 0.000 -4.128 -3.871) 5.659 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.241 19.821 5.672) 20.618 0.829 ( -1.667 13.127 16.506) 21.155 1.472 ( 17.169 18.184 11.334) 27.457 1.929 ( 5.143 -0.699 -4.907) 7.143 2.076 ( -0.116 5.623 -4.738) 7.354 2.951 ( -0.409 -3.133 -5.479) 6.325 3.549 ( 1.420 0.303 -0.483) 1.530 3.726 ( -1.530 -0.847 0.783) 1.916 3.870 ( 5.321 3.573 1.696) 6.630 4.372 ( 2.747 1.451 -10.491) 10.941 4.863 ( 1.397 -2.295 3.322) 4.272 5.524 ( -8.200 -2.311 -7.887) 11.609 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.572 14.981 11.553) 18.984 1.026 ( 4.317 16.308 0.765) 16.887 1.842 ( 10.566 6.820 -9.141) 15.547 2.090 ( 3.644 6.070 -3.475) 7.887 2.165 ( 12.248 8.228 9.273) 17.427 2.934 ( 2.302 -1.120 -2.880) 3.853 3.579 ( 1.659 0.888 -0.456) 1.936 3.697 ( -1.216 -0.809 0.767) 1.650 3.981 ( 3.626 1.887 1.423) 4.328 4.364 ( 0.058 -1.832 -4.786) 5.125 4.789 ( -5.589 -9.799 7.646) 13.628 5.334 ( -8.122 -0.810 -11.823) 14.367 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 4.388 10.548 4.445) 12.259 1.275 ( 6.206 17.004 -1.894) 18.200 2.013 ( 8.759 3.837 -6.752) 11.705 2.147 ( 1.077 4.760 -3.145) 5.806 2.535 ( 13.494 8.133 6.114) 16.900 2.988 ( 4.950 0.184 1.964) 5.329 3.620 ( 2.163 1.416 -0.581) 2.650 3.677 ( -0.862 -0.251 0.974) 1.324 4.023 ( 0.440 -0.308 -0.614) 0.816 4.330 ( -0.425 -1.136 -2.666) 2.929 4.552 ( -13.495 -9.225 6.528) 17.602 5.188 ( -3.679 -2.832 -9.116) 10.230 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 6.332 8.613 -0.970) 10.734 1.524 ( 5.807 14.932 -2.983) 16.297 2.164 ( 5.277 3.284 -0.410) 6.228 2.219 ( 3.874 5.322 -2.090) 6.907 2.733 ( 4.393 0.385 0.519) 4.440 3.100 ( 4.982 1.032 4.716) 6.937 3.660 ( -0.204 1.723 -0.207) 1.748 3.682 ( 2.310 0.195 0.878) 2.479 3.994 ( -1.930 -1.575 -1.827) 3.089 4.253 ( -14.811 -4.414 3.226) 15.788 4.342 ( 3.181 1.569 -1.955) 4.051 5.087 ( -1.869 -5.437 -4.253) 7.152 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 7.171 6.813 -3.552) 10.510 1.725 ( 3.883 12.638 -4.684) 14.027 2.235 ( 0.162 2.778 3.327) 4.337 2.354 ( 5.670 4.040 -1.030) 7.038 2.717 ( -3.713 -3.475 -1.311) 5.251 3.156 ( 0.494 -0.841 4.372) 4.479 3.666 ( -0.508 1.095 0.776) 1.435 3.734 ( 2.540 0.885 -0.181) 2.696 3.940 ( -1.654 -1.377 -0.941) 2.349 4.029 ( -10.227 0.646 0.810) 10.279 4.466 ( 8.445 3.911 -0.614) 9.327 4.983 ( -2.820 -6.908 -1.655) 7.643 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 6.413 3.879 -5.089) 9.060 1.871 ( 2.193 11.077 -5.478) 12.551 2.241 ( -3.114 0.330 4.923) 5.834 2.445 ( 1.807 1.696 -0.635) 2.558 2.572 ( -7.600 -2.888 -3.928) 9.030 3.167 ( -0.117 0.519 6.761) 6.782 3.666 ( -0.437 -0.000 0.560) 0.711 3.772 ( 1.190 0.694 -0.654) 1.525 3.908 ( -3.401 1.821 -0.433) 3.882 3.938 ( -1.753 1.684 0.872) 2.583 4.650 ( 7.844 2.200 -0.347) 8.154 4.862 ( -1.963 -6.128 -0.261) 6.440 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 3.868 -0.181 -4.550) 5.975 1.977 ( 0.246 8.766 -3.216) 9.340 2.164 ( -6.458 -2.398 4.719) 8.350 2.431 ( -4.522 -1.590 -5.110) 7.007 2.449 ( -2.276 2.519 -1.557) 3.735 3.196 ( -1.169 1.256 6.881) 7.092 3.653 ( -0.229 -1.599 0.098) 1.618 3.776 ( -0.893 -0.214 -0.506) 1.048 3.889 ( -2.605 6.457 -1.270) 7.077 3.966 ( 2.109 0.867 1.793) 2.901 4.619 ( -5.626 -5.545 -1.007) 7.964 4.939 ( 10.769 0.613 1.452) 10.884 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.741 -5.911 0.701) 5.999 1.991 ( -7.800 0.300 3.992) 8.767 2.032 ( -6.326 2.879 -0.791) 6.995 2.351 ( -1.973 -1.828 -2.979) 4.014 2.468 ( 2.211 5.939 -6.398) 9.005 3.134 ( -9.207 -2.359 3.615) 10.169 3.637 ( 0.581 -2.253 0.177) 2.334 3.745 ( -1.839 -0.831 0.075) 2.019 3.946 ( 0.821 9.554 -1.392) 9.690 4.016 ( 2.209 0.601 0.848) 2.442 4.478 ( -4.461 -3.984 -0.282) 5.988 5.135 ( 11.443 -0.076 1.924) 11.604 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -9.831 -11.680 7.990) 17.231 1.797 ( -12.905 -2.517 2.192) 13.329 1.995 ( -3.924 5.459 -4.004) 7.825 2.306 ( -1.465 -1.937 -0.455) 2.470 2.586 ( 6.631 6.079 -7.824) 11.922 2.858 ( -19.008 -6.205 2.257) 20.122 3.625 ( 0.162 -2.149 -0.044) 2.155 3.710 ( -1.537 -0.276 0.710) 1.715 4.025 ( -0.685 1.835 -0.965) 2.184 4.110 ( 6.747 8.269 -1.223) 10.742 4.412 ( -0.302 -1.358 0.451) 1.463 5.321 ( 10.766 -0.847 1.520) 10.906 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.000 19.663 4.875) 20.258 1.066 ( 0.000 15.259 11.163) 18.906 1.565 ( 0.000 23.587 13.823) 27.339 1.847 ( 0.000 -1.536 -7.276) 7.437 2.115 ( 0.000 5.349 -6.175) 8.170 2.905 ( 0.000 -3.019 -4.186) 5.161 3.538 ( 0.000 0.979 -0.696) 1.201 3.745 ( -0.000 -1.175 1.253) 1.718 3.856 ( 0.000 4.974 0.912) 5.057 4.329 ( 0.000 0.259 -8.193) 8.197 4.824 ( -0.000 -6.801 4.816) 8.333 5.552 ( 0.000 -2.122 -8.804) 9.056 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.192 17.736 1.179) 17.776 1.216 ( -2.918 17.308 11.623) 21.052 1.769 ( 2.351 7.329 -7.457) 10.717 2.009 ( 13.118 12.591 2.678) 18.379 2.150 ( 1.429 4.950 -1.594) 5.393 2.884 ( 1.138 -1.224 -1.239) 2.081 3.561 ( 1.382 1.245 -0.152) 1.866 3.716 ( -1.713 -0.509 0.355) 1.822 3.943 ( 3.674 2.776 1.344) 4.797 4.314 ( 1.357 -2.099 -4.763) 5.379 4.747 ( -0.733 -11.845 5.828) 13.222 5.438 ( -7.543 -1.346 -9.894) 12.514 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.283 13.015 1.532) 13.168 1.400 ( 0.434 19.538 6.206) 20.505 1.892 ( 8.222 5.476 -6.960) 12.084 2.152 ( 2.053 4.408 -8.385) 9.693 2.420 ( 12.288 10.264 6.701) 17.356 2.919 ( 3.656 0.394 2.682) 4.551 3.601 ( 1.693 1.409 0.732) 2.321 3.694 ( -0.905 0.371 -0.283) 1.018 4.004 ( 1.439 0.175 -0.152) 1.458 4.304 ( 1.065 -1.837 -2.608) 3.363 4.610 ( -3.772 -12.452 5.990) 14.323 5.246 ( -9.206 -2.146 -9.200) 13.191 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.929 11.256 1.062) 11.344 1.616 ( 1.826 17.956 2.326) 18.197 2.080 ( 8.660 5.968 -2.721) 10.864 2.217 ( 2.853 5.075 -4.419) 7.309 2.641 ( 6.686 0.745 -0.002) 6.727 3.033 ( 5.870 2.621 4.460) 7.824 3.648 ( 2.082 1.320 1.378) 2.824 3.689 ( -0.610 1.263 -0.122) 1.408 3.997 ( -0.943 -1.548 -1.604) 2.420 4.308 ( 1.690 0.507 -1.731) 2.472 4.425 ( -8.829 -6.921 3.546) 11.765 5.064 ( -5.201 -5.624 -5.520) 9.442 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 2.495 10.435 0.818) 10.760 1.802 ( 1.486 14.485 -1.007) 14.596 2.247 ( 4.553 4.855 0.928) 6.720 2.314 ( 3.592 5.622 -1.112) 6.764 2.694 ( 2.255 -2.859 -2.411) 4.367 3.131 ( 2.653 0.179 2.148) 3.418 3.691 ( -0.516 0.825 1.227) 1.566 3.703 ( 2.104 1.524 0.422) 2.632 3.948 ( -1.695 -2.070 -1.348) 2.996 4.230 ( -11.047 0.737 0.565) 11.086 4.380 ( 5.504 3.054 -0.767) 6.341 4.931 ( -1.664 -8.886 -1.823) 9.222 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.978 8.640 -0.491) 8.877 1.939 ( 1.147 11.273 -2.971) 11.715 2.306 ( -1.829 1.301 4.150) 4.718 2.416 ( 3.212 2.270 -0.549) 3.972 2.655 ( -4.162 1.273 -5.391) 6.929 3.171 ( 2.192 0.134 3.578) 4.198 3.681 ( -1.373 -0.398 0.708) 1.595 3.751 ( 2.053 0.834 -0.199) 2.225 3.916 ( 0.109 -0.790 0.275) 0.844 4.094 ( -8.987 5.560 -0.515) 10.580 4.528 ( 8.440 2.497 -0.130) 8.803 4.815 ( -1.328 -9.663 -0.334) 9.759 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.205 5.086 -2.116) 5.512 2.042 ( 0.752 8.493 -2.578) 8.907 2.250 ( -4.858 -2.624 4.470) 7.104 2.433 ( -0.706 -2.660 -1.404) 3.090 2.585 ( -7.069 8.359 -5.512) 12.257 3.233 ( 1.564 2.112 5.467) 6.066 3.647 ( -1.234 -1.978 -0.193) 2.339 3.779 ( 0.606 0.134 -0.495) 0.794 3.939 ( 2.150 0.440 1.447) 2.628 4.034 ( -5.894 8.254 -0.738) 10.169 4.624 ( -0.789 -4.656 -0.692) 4.772 4.761 ( 8.006 -4.177 0.734) 9.060 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -1.991 -0.169 -1.469) 2.480 2.091 ( -2.747 2.022 0.336) 3.427 2.161 ( -4.744 1.495 3.403) 6.026 2.363 ( -2.771 -2.885 -1.717) 4.353 2.546 ( -5.433 9.035 -5.849) 12.056 3.253 ( -4.099 0.840 4.024) 5.805 3.610 ( -0.277 -2.300 0.005) 2.316 3.768 ( -1.316 -0.508 -0.130) 1.416 3.982 ( 2.270 -0.176 0.839) 2.426 4.058 ( -2.281 10.841 -0.925) 11.117 4.508 ( -4.400 -5.062 -0.398) 6.718 4.916 ( 12.602 -3.693 0.800) 13.156 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -5.981 -5.984 2.383) 8.790 1.967 ( -10.036 -1.708 -0.277) 10.184 2.136 ( -5.655 5.075 1.229) 7.697 2.303 ( -0.955 -2.376 0.615) 2.634 2.564 ( 0.601 7.781 -6.659) 10.259 3.105 ( -13.892 -2.265 1.898) 14.203 3.599 ( 0.620 -1.479 1.098) 1.944 3.737 ( -1.664 -0.359 0.303) 1.729 4.018 ( 2.053 -0.441 -0.417) 2.141 4.142 ( 0.524 10.409 -0.975) 10.467 4.413 ( -2.190 -2.501 -0.178) 3.329 5.096 ( 13.270 -4.269 0.150) 13.941 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 16.903 0.464) 16.910 1.402 ( 0.000 14.437 2.964) 14.738 1.797 ( 0.000 0.495 -2.546) 2.594 2.034 ( 0.000 16.986 -8.027) 18.787 2.188 ( 0.000 8.421 5.885) 10.273 2.873 ( -0.000 0.259 2.495) 2.509 3.564 ( 0.000 2.175 -0.518) 2.236 3.728 ( -0.000 -1.127 0.738) 1.347 3.941 ( 0.000 2.925 0.932) 3.070 4.265 ( 0.000 -3.033 -2.681) 4.048 4.646 ( -0.000 -13.281 4.362) 13.979 5.457 ( 0.000 -2.439 -9.328) 9.642 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -2.645 11.122 -5.503) 12.688 1.591 ( 3.246 15.714 4.964) 16.796 1.827 ( 2.630 5.006 -1.642) 5.889 2.116 ( 2.494 4.654 -12.338) 13.420 2.400 ( 5.864 12.972 8.210) 16.433 2.906 ( 1.225 2.566 5.749) 6.414 3.597 ( 1.114 2.357 0.275) 2.621 3.710 ( -0.899 -0.204 -0.093) 0.927 3.983 ( 1.583 0.872 -0.018) 1.808 4.245 ( 2.083 -3.619 -0.575) 4.215 4.527 ( -0.535 -12.382 2.965) 12.743 5.341 ( -6.964 -3.239 -8.406) 11.386 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.741 8.695 -4.230) 9.698 1.806 ( -0.491 17.459 8.733) 19.528 1.969 ( 10.135 4.771 -5.427) 12.447 2.184 ( 3.910 5.428 -7.379) 9.960 2.565 ( 3.267 1.486 2.846) 4.580 3.009 ( 3.494 6.010 5.518) 8.875 3.642 ( 1.304 1.984 1.717) 2.930 3.704 ( -0.096 0.904 -0.737) 1.170 3.991 ( -0.364 -0.871 -1.448) 1.729 4.263 ( 3.579 -2.416 0.349) 4.332 4.421 ( -0.967 -8.271 1.836) 8.527 5.135 ( -9.954 -4.553 -6.406) 12.683 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 3.182 9.439 -0.548) 9.976 1.940 ( -1.588 11.680 3.843) 12.398 2.194 ( 8.864 7.359 -0.463) 11.530 2.303 ( 4.897 6.929 -3.674) 9.246 2.596 ( 3.358 -4.217 0.109) 5.392 3.114 ( 1.461 3.473 1.032) 3.907 3.683 ( 1.230 0.863 2.311) 2.756 3.715 ( 0.072 1.443 -0.499) 1.528 3.953 ( -1.747 -1.773 -1.599) 2.959 4.311 ( 3.098 -2.695 1.658) 4.428 4.360 ( -1.262 1.756 -0.884) 2.336 4.912 ( -7.680 -7.199 -3.280) 11.026 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 2.024 9.700 1.260) 9.989 2.023 ( -0.183 8.115 0.352) 8.125 2.338 ( 1.602 2.813 2.201) 3.915 2.396 ( 0.727 0.845 1.029) 1.517 2.666 ( 5.725 5.447 -4.953) 9.326 3.141 ( 0.919 0.486 -0.214) 1.062 3.700 ( -0.584 -0.754 1.187) 1.523 3.730 ( 0.794 0.969 0.030) 1.253 3.909 ( -0.786 -1.179 -0.456) 1.488 4.276 ( -5.550 3.418 -0.233) 6.522 4.439 ( 5.153 3.102 -0.135) 6.016 4.739 ( -2.596 -9.851 -0.625) 10.207 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -1.636 7.734 0.982) 7.966 2.096 ( 0.688 6.179 -0.689) 6.255 2.300 ( -3.842 -4.209 2.768) 6.336 2.407 ( 0.610 -1.712 -0.514) 1.889 2.771 ( -3.737 13.047 -5.501) 14.644 3.201 ( 5.238 0.812 2.170) 5.727 3.661 ( -2.507 -1.401 0.024) 2.872 3.755 ( 1.665 -0.591 0.158) 1.774 3.909 ( 1.480 -0.504 0.744) 1.731 4.220 ( -6.735 7.625 -0.675) 10.196 4.550 ( 5.580 -0.349 0.005) 5.591 4.629 ( 0.661 -9.080 0.248) 9.107 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -5.087 3.100 0.391) 5.970 2.142 ( -1.209 2.294 -0.222) 2.603 2.222 ( -1.512 -1.093 2.479) 3.103 2.373 ( -1.903 -2.475 -0.319) 3.138 2.760 ( -9.176 11.495 -4.763) 15.460 3.291 ( 2.066 0.905 1.621) 2.777 3.609 ( -1.813 -1.286 0.344) 2.249 3.767 ( 0.635 -1.239 0.012) 1.392 3.939 ( 2.352 -0.997 0.604) 2.625 4.210 ( -4.133 9.646 -0.670) 10.516 4.519 ( -2.486 -4.660 0.014) 5.282 4.680 ( 10.081 -5.109 0.219) 11.304 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -6.897 -1.607 1.024) 7.155 2.083 ( -5.714 -0.858 -0.896) 5.847 2.245 ( -0.174 2.933 4.368) 5.264 2.306 ( -3.097 -2.171 0.075) 3.783 2.688 ( -7.881 8.125 -4.809) 12.299 3.256 ( -5.973 -1.847 -0.842) 6.309 3.592 ( -0.156 0.143 2.280) 2.290 3.754 ( -0.844 -0.882 -0.085) 1.224 3.969 ( 2.576 -1.110 -0.626) 2.874 4.245 ( -2.171 7.551 -0.516) 7.873 4.438 ( -3.253 -1.896 0.025) 3.765 4.825 ( 13.216 -4.873 -0.565) 14.097 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 8.134 -8.308) 11.626 1.583 ( 0.000 5.945 -8.629) 10.479 1.901 ( -0.000 8.785 7.598) 11.615 2.118 ( 0.000 6.605 -8.236) 10.557 2.501 ( 0.000 9.992 7.635) 12.575 2.957 ( -0.000 6.130 7.600) 9.764 3.613 ( 0.000 3.039 -0.172) 3.044 3.713 ( -0.000 -0.672 0.004) 0.672 3.976 ( 0.000 0.608 -0.248) 0.657 4.176 ( -0.000 -7.027 2.151) 7.349 4.438 ( -0.000 -7.430 -0.338) 7.437 5.338 ( 0.000 -4.725 -7.609) 8.956 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.876 4.783 -7.586) 9.011 1.765 ( 12.618 3.256 -9.851) 16.336 2.006 ( -1.209 11.255 7.511) 13.585 2.186 ( 1.609 8.150 -3.436) 8.990 2.573 ( -0.452 0.283 6.109) 6.132 3.065 ( 0.920 9.314 5.660) 10.938 3.651 ( 0.846 2.813 0.687) 3.017 3.707 ( 0.027 0.035 -0.473) 0.475 3.983 ( 0.304 -0.122 -1.385) 1.423 4.137 ( 4.135 -9.187 3.359) 10.620 4.389 ( -0.702 -0.845 -1.497) 1.857 5.211 ( -6.365 -5.716 -6.255) 10.598 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 4.861 6.119 -2.843) 8.316 1.958 ( 10.279 -0.117 -7.016) 12.446 2.159 ( 3.994 13.636 5.819) 15.354 2.293 ( 2.958 7.448 -1.912) 8.239 2.545 ( -1.192 -5.057 5.106) 7.285 3.161 ( -0.638 6.815 0.685) 6.879 3.688 ( 0.337 1.211 2.242) 2.570 3.715 ( 0.823 0.849 -1.027) 1.566 3.962 ( -1.452 -0.791 -1.870) 2.496 4.168 ( 7.860 -7.303 2.387) 10.992 4.393 ( -0.486 4.306 -0.830) 4.412 4.998 ( -9.858 -6.287 -4.227) 12.433 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 6.212 7.114 0.041) 9.445 2.062 ( 3.501 2.444 -1.589) 4.556 2.344 ( 2.278 5.376 2.115) 6.210 2.399 ( 0.259 -0.302 1.037) 1.111 2.559 ( 9.725 4.062 1.003) 10.587 3.175 ( -2.780 3.717 -2.393) 5.222 3.694 ( 0.014 -1.313 1.659) 2.116 3.737 ( 0.308 1.287 -0.450) 1.398 3.922 ( -1.850 -0.305 -1.229) 2.242 4.254 ( 7.388 -3.245 1.009) 8.132 4.440 ( 0.188 5.500 -0.074) 5.504 4.761 ( -9.454 -6.661 -1.978) 11.733 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 2.959 6.237 0.720) 6.940 2.128 ( 1.390 3.619 -0.066) 3.877 2.316 ( -3.573 -6.189 1.239) 7.253 2.390 ( 0.247 0.213 0.297) 0.442 2.847 ( 10.566 11.737 -0.934) 15.820 3.153 ( -1.260 1.534 -1.383) 2.420 3.680 ( -0.288 -1.680 0.562) 1.794 3.737 ( -0.905 -0.223 -0.084) 0.936 3.897 ( -0.555 -0.083 -0.163) 0.584 4.335 ( 2.168 2.291 0.058) 3.154 4.486 ( 0.897 1.671 0.052) 1.897 4.573 ( -4.385 -6.379 -0.303) 7.747 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.720 2.555 0.912) 4.604 2.175 ( -0.114 2.107 0.501) 2.169 2.218 ( -0.861 -3.574 0.038) 3.676 2.377 ( -0.803 -1.101 0.298) 1.396 3.001 ( -6.712 11.619 -2.415) 13.634 3.206 ( 7.727 -1.609 0.128) 7.893 3.649 ( -2.958 0.632 -0.043) 3.025 3.723 ( 1.825 -2.977 0.716) 3.564 3.900 ( 1.131 -0.592 0.077) 1.279 4.358 ( -3.956 6.585 -0.484) 7.697 4.492 ( 2.163 -5.106 0.324) 5.554 4.521 ( 2.458 -2.275 0.047) 3.349 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -7.349 -1.107 1.199) 7.528 2.144 ( -2.891 -0.358 -0.948) 3.063 2.234 ( 2.013 -0.851 2.346) 3.206 2.356 ( -1.796 1.048 1.018) 2.315 2.910 ( -11.231 4.792 -1.524) 12.305 3.261 ( 1.128 -3.372 -3.154) 4.753 3.621 ( -1.399 1.386 2.157) 2.921 3.740 ( 1.577 -0.886 -0.055) 1.810 3.917 ( 1.868 -0.940 -0.696) 2.204 4.336 ( -3.476 1.122 -0.128) 3.655 4.475 ( -1.701 0.259 0.423) 1.772 4.597 ( 9.406 -1.239 -0.635) 9.508 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 0.664 -11.217) 11.236 1.609 ( 0.000 2.924 -5.982) 6.659 2.129 ( 0.000 9.305 5.070) 10.596 2.252 ( 0.000 8.805 -0.705) 8.833 2.584 ( -0.000 -4.240 7.304) 8.446 3.171 ( 0.000 10.077 3.730) 10.745 3.672 ( 0.000 2.967 0.091) 2.969 3.704 ( 0.000 -0.150 -0.476) 0.499 3.970 ( -0.000 -1.116 -0.216) 1.136 4.020 ( -0.000 -8.837 2.085) 9.079 4.409 ( 0.000 4.403 -1.429) 4.629 5.185 ( -0.000 -7.103 -5.505) 8.987 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.234 3.029 -4.266) 6.151 1.732 ( 11.133 0.703 -6.198) 12.762 2.238 ( 2.093 8.241 3.412) 9.162 2.334 ( 0.406 7.010 -0.027) 7.022 2.536 ( -1.532 -6.767 6.714) 9.655 3.252 ( -1.393 7.285 -0.053) 7.417 3.703 ( 0.152 -0.261 -0.402) 0.503 3.705 ( 0.635 2.326 0.657) 2.499 3.970 ( -0.694 -0.704 -1.957) 2.193 3.980 ( 5.811 -6.928 2.484) 9.378 4.459 ( -0.750 7.634 -0.266) 7.675 5.051 ( -5.495 -7.594 -4.142) 10.248 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 7.796 4.020 -0.828) 8.810 1.926 ( 11.911 1.091 -2.942) 12.318 2.376 ( 3.719 3.731 0.685) 5.312 2.387 ( -0.312 3.284 0.428) 3.327 2.479 ( 2.088 -3.098 5.972) 7.045 3.265 ( -3.160 4.814 -2.727) 6.371 3.689 ( -0.701 -1.726 0.616) 1.962 3.740 ( 0.844 1.670 0.168) 1.879 3.948 ( -1.267 0.560 -1.683) 2.180 4.065 ( 9.653 -4.288 1.223) 10.633 4.517 ( -1.620 7.755 0.576) 7.944 4.850 ( -8.622 -6.792 -2.487) 11.254 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 7.782 2.274 -0.530) 8.125 2.094 ( 6.339 2.562 -0.577) 6.861 2.321 ( -3.443 -5.381 0.606) 6.417 2.403 ( -0.981 0.416 0.005) 1.066 2.686 ( 15.086 3.971 3.263) 15.938 3.241 ( -3.887 4.556 -2.174) 6.371 3.659 ( -0.253 -2.486 0.329) 2.521 3.758 ( -0.476 0.910 -0.123) 1.034 3.925 ( -2.041 1.053 -0.902) 2.467 4.207 ( 10.210 -1.820 0.644) 10.390 4.544 ( -2.637 4.416 0.576) 5.175 4.643 ( -8.693 -4.157 -1.159) 9.705 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.660 -1.586 -0.710) 4.051 2.179 ( 2.059 0.786 -0.471) 2.254 2.218 ( -3.251 -2.090 0.111) 3.866 2.381 ( -0.701 -0.961 -0.411) 1.258 2.982 ( 15.054 0.257 1.850) 15.170 3.206 ( -5.616 4.387 0.136) 7.128 3.650 ( 1.796 -1.606 -0.117) 2.412 3.729 ( -3.477 0.043 -0.561) 3.522 3.901 ( -1.289 0.486 -0.000) 1.377 4.354 ( 7.834 -0.116 0.404) 7.845 4.495 ( -5.795 -0.605 -0.463) 5.845 4.520 ( -2.950 0.863 0.152) 3.077 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -2.584 -4.476 -0.000) 5.169 2.166 ( -0.674 -1.167 -0.000) 1.348 2.210 ( 0.058 0.100 -0.000) 0.115 2.378 ( 0.585 1.013 -0.000) 1.170 3.074 ( -3.904 -6.761 -0.000) 7.807 3.184 ( 1.291 2.236 -0.000) 2.582 3.659 ( -1.017 -1.761 -0.000) 2.033 3.703 ( 1.781 3.085 -0.000) 3.562 3.895 ( 0.108 0.187 -0.000) 0.216 4.369 ( -3.572 -6.186 -0.000) 7.143 4.493 ( 3.271 5.666 -0.000) 6.542 4.511 ( 0.979 1.696 -0.000) 1.959 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 1.926 -3.219) 3.751 1.642 ( 0.000 2.830 -0.987) 2.998 2.282 ( 0.000 4.355 0.840) 4.435 2.394 ( 0.000 5.313 0.321) 5.323 2.497 ( -0.000 -7.681 5.956) 9.719 3.322 ( 0.000 4.890 -2.247) 5.382 3.697 ( 0.000 0.264 -1.436) 1.460 3.725 ( 0.000 1.764 1.154) 2.108 3.871 ( -0.000 -6.203 2.434) 6.663 3.973 ( 0.000 0.648 -1.934) 2.040 4.552 ( 0.000 9.539 0.664) 9.562 5.008 ( -0.000 -8.068 -3.349) 8.735 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 4.923 3.196 0.525) 5.893 1.756 ( 9.533 3.500 1.665) 10.291 2.334 ( 2.825 0.716 -1.512) 3.283 2.428 ( -0.093 1.535 1.333) 2.035 2.440 ( -0.423 -5.104 3.852) 6.409 3.333 ( -1.547 2.683 -4.081) 5.123 3.687 ( -0.797 -0.984 -0.776) 1.485 3.746 ( 0.429 1.241 1.123) 1.728 3.885 ( 6.374 -3.113 1.188) 7.192 3.973 ( -0.312 0.978 -1.474) 1.796 4.627 ( -1.657 7.194 1.096) 7.463 4.892 ( -4.636 -5.315 -2.049) 7.344 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 7.123 0.955 0.401) 7.197 1.987 ( 10.328 4.750 3.000) 11.758 2.317 ( -1.531 -4.368 -2.336) 5.184 2.413 ( -0.629 -2.278 0.165) 2.369 2.502 ( 9.177 -0.287 3.445) 9.807 3.314 ( -1.668 2.036 -3.168) 4.118 3.650 ( -1.316 -1.964 -0.574) 2.433 3.766 ( 0.392 0.552 0.792) 1.042 3.963 ( -1.068 1.706 -1.127) 2.307 4.020 ( 10.250 -0.865 0.718) 10.311 4.615 ( -3.172 -2.244 0.302) 3.897 4.771 ( -7.877 3.672 -0.354) 8.698 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 6.163 -2.923 -0.610) 6.848 2.138 ( 3.216 0.191 0.761) 3.310 2.245 ( -1.334 -0.885 -2.687) 3.127 2.373 ( -0.697 -2.844 -0.519) 2.974 2.719 ( 15.335 -2.281 4.172) 16.055 3.298 ( -1.880 1.126 0.028) 2.191 3.617 ( -0.026 -1.428 -1.301) 1.932 3.766 ( -0.984 -0.151 0.185) 1.013 3.943 ( -2.395 1.062 -0.171) 2.625 4.205 ( 10.472 1.260 0.522) 10.561 4.521 ( -2.593 -4.449 -0.348) 5.162 4.680 ( -9.520 5.999 0.331) 11.257 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.000 6.781 5.978) 9.040 1.705 ( -0.000 2.920 3.372) 4.461 2.295 ( 0.000 -2.483 -2.886) 3.807 2.394 ( -0.000 -5.095 2.365) 5.617 2.446 ( -0.000 -0.224 0.252) 0.337 3.341 ( 0.000 -0.058 -5.753) 5.753 3.690 ( 0.000 -0.080 -1.326) 1.329 3.753 ( -0.000 0.325 1.280) 1.321 3.805 ( -0.000 -1.863 1.476) 2.377 3.984 ( 0.000 1.425 -1.310) 1.935 4.674 ( -0.000 -2.109 0.673) 2.213 4.917 ( 0.000 4.280 -0.556) 4.316 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.598 3.241 4.647) 5.697 1.880 ( 10.317 6.368 6.568) 13.789 2.257 ( 1.197 -6.267 -4.948) 8.074 2.365 ( 1.291 -3.796 1.609) 4.320 2.436 ( 0.478 -1.620 0.464) 1.752 3.312 ( 0.199 -2.109 -5.222) 5.636 3.662 ( -1.981 -0.966 -0.942) 2.397 3.762 ( 0.522 -0.451 1.126) 1.320 3.870 ( 7.394 1.037 0.663) 7.496 3.991 ( -0.522 1.584 -0.826) 1.861 4.607 ( -1.759 -7.355 0.290) 7.568 4.950 ( -4.997 9.574 0.314) 10.804 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 2.576 -1.112 2.219) 3.577 2.085 ( 4.424 0.981 1.884) 4.907 2.200 ( 3.002 -4.730 -5.116) 7.587 2.351 ( -0.243 -3.366 0.763) 3.460 2.499 ( 9.320 -1.196 4.481) 10.410 3.283 ( 1.394 -4.212 -2.498) 5.092 3.616 ( -1.687 -0.896 -1.347) 2.338 3.765 ( 0.358 -1.117 0.564) 1.302 3.986 ( -1.367 1.309 -0.086) 1.895 4.051 ( 10.456 3.376 0.565) 11.002 4.506 ( -2.006 -6.302 0.148) 6.615 4.919 ( -9.637 9.029 0.299) 13.209 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.000 2.785 6.135) 6.738 1.836 ( -0.000 6.914 8.262) 10.773 2.155 ( -0.000 -9.296 -5.491) 10.796 2.325 ( -0.000 -2.853 0.177) 2.859 2.418 ( -0.000 -1.499 0.305) 1.530 3.249 ( 0.000 -6.492 -5.504) 8.511 3.676 ( 0.000 -0.610 -1.102) 1.259 3.752 ( -0.000 -1.176 1.087) 1.601 3.820 ( 0.000 2.993 0.445) 3.026 4.009 ( 0.000 1.745 -0.472) 1.808 4.548 ( -0.000 -7.590 0.522) 7.608 5.094 ( 0.000 10.782 0.177) 10.784 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -3.624 -0.026 4.066) 5.446 2.007 ( 7.437 0.569 1.834) 7.681 2.046 ( 2.573 -11.340 -4.384) 12.427 2.322 ( 0.981 -1.424 2.579) 3.105 2.429 ( 2.059 2.318 2.308) 3.865 3.169 ( 2.189 -10.559 -3.854) 11.451 3.642 ( -2.338 -0.613 -0.929) 2.590 3.744 ( 0.463 -1.666 0.345) 1.763 3.936 ( 7.749 5.508 0.619) 9.527 4.020 ( -0.643 1.616 -0.013) 1.740 4.475 ( -1.183 -5.600 0.419) 5.739 5.145 ( -5.964 10.028 -0.237) 11.670 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.000 -8.114 -3.423) 8.806 1.861 ( -0.000 -5.514 -3.699) 6.640 1.904 ( -0.000 -6.899 3.834) 7.893 2.320 ( -0.000 -0.619 3.658) 3.710 2.466 ( 0.000 7.156 4.562) 8.486 3.007 ( -0.000 -16.193 -3.158) 16.498 3.655 ( -0.000 -1.020 -0.508) 1.139 3.725 ( -0.000 -1.961 0.307) 1.985 3.930 ( 0.000 7.657 0.646) 7.684 4.043 ( 0.000 2.274 0.220) 2.284 4.442 ( -0.000 -3.365 0.103) 3.366 5.289 ( 0.000 9.668 -1.082) 9.728 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 -0.000 19.165) 19.165 0.560 ( 0.000 -0.000 19.165) 19.165 0.917 ( 0.000 -0.000 32.185) 32.185 1.945 ( -0.000 0.000 -6.447) 6.447 1.945 ( -0.000 0.000 -6.447) 6.447 3.371 ( -0.000 0.000 -18.407) 18.407 3.535 ( -0.000 0.000 -0.514) 0.514 3.535 ( -0.000 0.000 -0.514) 0.514 3.762 ( 0.000 -0.000 1.346) 1.346 3.762 ( 0.000 -0.000 1.346) 1.346 4.746 ( 0.000 -0.000 7.838) 7.838 5.714 ( -0.000 0.000 -0.964) 0.964 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 2.975 1.718 16.240) 16.599 0.728 ( 4.031 2.327 20.624) 21.142 1.235 ( 17.961 10.370 18.575) 27.842 1.923 ( 2.135 1.233 -6.216) 6.687 1.976 ( 2.435 1.406 -5.661) 6.321 3.002 ( -7.070 -4.082 -7.044) 10.782 3.544 ( 0.629 0.363 -0.653) 0.977 3.749 ( -1.176 -0.679 1.426) 1.969 3.811 ( 5.538 3.197 1.392) 6.544 4.171 ( 20.839 12.031 -20.256) 31.453 4.828 ( 5.092 2.940 4.178) 7.213 5.598 ( -9.268 -5.351 -2.245) 10.935 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 9.318 5.380 9.978) 14.674 0.886 ( 5.322 3.073 15.225) 16.419 1.657 ( 15.543 8.974 -3.769) 18.339 2.018 ( 2.785 1.608 -4.572) 5.589 2.047 ( 10.718 6.188 5.824) 13.678 2.924 ( 0.554 0.320 -6.819) 6.849 3.560 ( 1.140 0.658 -1.008) 1.658 3.722 ( -1.563 -0.903 1.575) 2.396 3.940 ( 4.955 2.861 2.071) 6.084 4.349 ( 2.963 1.711 -8.717) 9.365 4.915 ( -0.695 -0.401 5.207) 5.269 5.350 ( -10.028 -5.790 -9.080) 14.715 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 11.884 6.861 4.904) 14.573 1.052 ( 6.803 3.928 6.266) 10.048 1.896 ( 10.108 5.836 -10.488) 15.692 2.071 ( 3.071 1.773 -3.067) 4.688 2.394 ( 15.468 8.930 9.678) 20.314 2.961 ( 3.997 2.308 -2.944) 5.474 3.590 ( 1.889 1.091 -1.293) 2.535 3.694 ( -1.283 -0.741 1.615) 2.192 4.017 ( 1.511 0.872 0.224) 1.759 4.341 ( -1.011 -0.583 -3.574) 3.759 4.756 ( -14.951 -8.632 8.439) 19.216 5.185 ( -1.908 -1.101 -11.303) 11.515 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 8.264 4.771 0.039) 9.542 1.300 ( 11.500 6.639 1.110) 13.325 2.085 ( 9.252 5.341 -5.233) 11.896 2.134 ( 3.175 1.833 -1.025) 3.807 2.687 ( 8.216 4.744 2.650) 9.851 3.073 ( 5.625 3.248 2.426) 6.934 3.631 ( 1.826 1.054 -0.962) 2.318 3.682 ( 0.094 0.054 1.097) 1.102 4.013 ( -1.482 -0.855 -1.531) 2.296 4.318 ( 0.608 0.351 -2.052) 2.169 4.404 ( -16.845 -9.725 3.651) 19.790 5.134 ( -1.612 -0.931 -4.558) 4.923 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 9.040 5.219 -3.532) 11.019 1.529 ( 9.152 5.284 -1.966) 10.749 2.200 ( 2.557 1.477 1.407) 3.271 2.266 ( 7.863 4.540 -1.723) 9.241 2.762 ( -1.400 -0.808 -0.947) 1.874 3.174 ( 1.771 1.022 4.012) 4.503 3.652 ( 0.390 0.225 0.577) 0.732 3.713 ( 2.168 1.252 -0.544) 2.562 3.961 ( -2.231 -1.288 -1.226) 2.852 4.091 ( -11.401 -6.582 1.331) 13.232 4.388 ( 6.340 3.661 -0.991) 7.388 5.067 ( -3.846 -2.220 -1.294) 4.626 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.048 5.224 -6.338) 12.219 1.689 ( 6.322 3.650 -4.236) 8.440 2.243 ( 0.327 0.189 3.575) 3.595 2.404 ( 4.429 2.557 -0.572) 5.146 2.642 ( -7.781 -4.492 -3.376) 9.598 3.192 ( -0.579 -0.334 6.419) 6.454 3.662 ( 0.305 0.176 0.901) 0.967 3.755 ( 1.632 0.942 -0.889) 2.084 3.913 ( -5.212 -3.009 -0.429) 6.034 3.931 ( -0.301 -0.174 0.857) 0.925 4.571 ( 9.383 5.417 -0.496) 10.846 4.956 ( -5.671 -3.274 -0.200) 6.551 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 8.110 4.682 -7.637) 12.084 1.788 ( 4.121 2.379 -5.484) 7.261 2.222 ( -3.662 -2.115 4.902) 6.474 2.432 ( -3.060 -1.767 -0.959) 3.662 2.473 ( -3.916 -2.261 -3.383) 5.647 3.209 ( -0.082 -0.047 8.133) 8.134 3.669 ( 0.016 0.009 0.969) 0.969 3.774 ( 0.247 0.143 -0.912) 0.955 3.834 ( -1.829 -1.056 -1.520) 2.602 3.953 ( 1.615 0.932 1.859) 2.633 4.691 ( -2.493 -1.440 -1.162) 3.105 4.902 ( 4.885 2.820 1.013) 5.731 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 2.640 1.524 -5.743) 6.502 1.891 ( 3.434 1.982 -3.565) 5.332 2.105 ( -8.345 -4.818 5.299) 10.996 2.348 ( -1.520 -0.877 -4.937) 5.240 2.421 ( -1.293 -0.746 -0.408) 1.547 3.197 ( -4.365 -2.520 5.908) 7.765 3.667 ( -0.434 -0.251 0.932) 1.059 3.761 ( -1.141 -0.659 -0.798) 1.540 3.828 ( 2.130 1.229 -1.304) 2.783 4.002 ( 2.030 1.172 1.244) 2.654 4.554 ( -6.687 -3.861 -0.700) 7.754 5.089 ( 9.254 5.343 1.245) 10.758 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.000 9.939 14.943) 17.947 0.846 ( -0.000 11.537 14.693) 18.682 1.252 ( -0.000 13.974 23.214) 27.095 1.858 ( 0.000 -2.062 -7.590) 7.865 1.988 ( 0.000 5.632 -6.143) 8.334 2.982 ( 0.000 -8.893 -7.722) 11.778 3.528 ( 0.000 0.022 -0.473) 0.474 3.762 ( 0.000 4.843 0.091) 4.844 3.767 ( -0.000 -0.636 1.240) 1.394 4.120 ( 0.000 22.020 -16.202) 27.338 4.840 ( -0.000 4.210 4.779) 6.369 5.620 ( -0.000 -6.916 -3.068) 7.566 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.028 14.832 9.158) 17.432 0.985 ( -1.557 11.045 17.266) 20.556 1.539 ( 8.792 12.698 2.642) 15.669 1.901 ( 9.049 1.436 -1.366) 9.263 2.036 ( 1.450 6.141 -3.209) 7.079 2.893 ( -0.276 -1.664 -7.221) 7.415 3.545 ( 1.364 0.458 -0.426) 1.501 3.733 ( -1.405 -1.131 0.778) 1.964 3.887 ( 5.698 3.526 2.158) 7.040 4.275 ( 4.751 5.748 -10.572) 12.937 4.898 ( 1.893 -0.625 4.208) 4.656 5.457 ( -9.499 -5.373 -6.746) 12.830 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 3.615 14.938 3.713) 15.811 1.109 ( -1.802 11.406 14.375) 18.439 1.751 ( 9.538 6.694 -10.467) 15.663 2.041 ( 3.294 4.054 -6.619) 8.432 2.259 ( 14.257 9.209 10.380) 19.895 2.901 ( 3.325 1.350 -4.329) 5.623 3.574 ( 1.319 1.391 -0.515) 1.985 3.704 ( -0.835 -1.391 0.823) 1.819 3.992 ( 2.953 1.376 1.007) 3.410 4.320 ( 1.290 -0.458 -4.639) 4.836 4.863 ( -4.349 -10.029 8.706) 13.975 5.227 ( -8.988 -0.326 -11.751) 14.798 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 2.619 9.209 3.003) 10.034 1.289 ( 3.793 15.961 5.595) 17.333 1.955 ( 10.396 5.986 -5.803) 13.326 2.111 ( 2.963 4.255 -4.719) 7.011 2.581 ( 11.163 5.522 3.820) 13.027 2.998 ( 6.540 2.634 0.533) 7.071 3.614 ( 1.708 2.082 -0.616) 2.763 3.686 ( -0.417 -0.715 0.995) 1.294 4.015 ( -0.210 -0.726 -1.009) 1.261 4.307 ( -0.025 -0.798 -2.451) 2.578 4.605 ( -15.179 -10.152 4.796) 18.881 5.118 ( -1.383 -1.755 -5.989) 6.392 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 4.238 8.789 1.215) 9.832 1.513 ( 4.127 14.093 0.665) 14.700 2.155 ( 7.779 4.608 -1.233) 9.125 2.200 ( 4.099 5.395 -2.387) 7.184 2.731 ( 3.830 -0.642 -1.140) 4.047 3.133 ( 5.238 1.161 2.561) 5.945 3.658 ( 0.702 2.024 -0.235) 2.155 3.690 ( 1.235 0.409 0.855) 1.557 3.979 ( -1.886 -1.546 -1.479) 2.852 4.269 ( -14.544 -4.613 -0.210) 15.259 4.331 ( 2.550 1.433 0.004) 2.926 5.063 ( -0.774 -5.119 -1.102) 5.293 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 4.967 7.620 -1.294) 9.187 1.691 ( 2.622 12.116 -2.739) 12.696 2.258 ( 1.332 3.553 1.881) 4.236 2.345 ( 6.029 4.207 -0.929) 7.410 2.694 ( -4.195 -4.296 -3.748) 7.078 3.194 ( 1.830 -0.859 3.952) 4.439 3.673 ( -0.426 1.161 0.862) 1.507 3.732 ( 2.054 1.089 -0.400) 2.359 3.936 ( -0.999 -1.102 0.029) 1.488 4.031 ( -10.393 0.190 -0.415) 10.404 4.461 ( 8.595 4.102 -0.445) 9.534 4.977 ( -2.610 -6.869 0.334) 7.356 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 4.761 4.920 -3.912) 7.885 1.823 ( 1.472 11.475 -5.085) 12.638 2.282 ( -2.580 0.872 4.093) 4.916 2.439 ( 1.999 1.500 -0.616) 2.574 2.530 ( -7.529 -3.547 -4.999) 9.709 3.230 ( 1.046 0.254 6.825) 6.909 3.672 ( -0.513 -0.347 0.738) 0.963 3.765 ( 1.070 0.776 -0.911) 1.605 3.903 ( -4.771 2.602 -0.695) 5.478 3.947 ( -0.174 1.042 1.200) 1.598 4.645 ( 7.461 2.129 -0.793) 7.799 4.864 ( -1.500 -5.929 0.753) 6.162 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.734 1.123 -5.142) 6.453 1.936 ( 1.063 11.097 -5.525) 12.442 2.210 ( -6.540 -2.668 5.252) 8.802 2.388 ( -5.213 -0.655 -3.761) 6.462 2.441 ( -1.736 0.173 -0.634) 1.856 3.258 ( -1.651 0.253 6.578) 6.786 3.656 ( -0.076 -2.061 0.468) 2.114 3.770 ( -0.749 0.038 -0.830) 1.118 3.878 ( -2.838 6.669 -1.059) 7.325 3.981 ( 2.000 0.664 1.424) 2.543 4.611 ( -5.526 -5.355 -0.712) 7.728 4.948 ( 10.992 0.626 0.616) 11.027 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 16.212 7.931) 18.047 1.152 ( 0.000 12.930 7.363) 14.880 1.666 ( 0.000 18.192 6.784) 19.415 1.788 ( 0.000 -0.686 -5.171) 5.217 2.072 ( 0.000 6.091 -2.034) 6.421 2.863 ( 0.000 -0.337 -5.247) 5.257 3.533 ( 0.000 0.931 -0.374) 1.003 3.755 ( -0.000 -1.255 0.868) 1.526 3.870 ( 0.000 5.010 2.123) 5.441 4.260 ( 0.000 3.555 -7.046) 7.893 4.870 ( -0.000 -5.855 5.267) 7.875 5.469 ( 0.000 -3.924 -9.223) 10.023 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -1.460 14.720 1.420) 14.860 1.320 ( 0.498 14.314 10.203) 17.585 1.702 ( -0.534 7.529 -6.847) 10.191 1.968 ( 7.889 5.934 -9.304) 13.565 2.199 ( 7.253 10.112 9.943) 15.928 2.869 ( 1.211 2.280 -2.123) 3.342 3.561 ( 1.686 1.377 0.013) 2.177 3.719 ( -2.064 -0.687 0.182) 2.183 3.958 ( 3.374 2.172 1.728) 4.369 4.276 ( 1.658 -0.232 -3.525) 3.902 4.803 ( -0.014 -12.394 6.689) 14.083 5.343 ( -7.785 -1.018 -11.007) 13.520 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.720 11.213 -1.959) 11.405 1.488 ( -2.044 17.885 11.346) 21.279 1.835 ( 9.010 7.394 -5.551) 12.910 2.068 ( 4.546 3.984 -9.893) 11.593 2.478 ( 9.389 7.578 5.675) 13.333 2.939 ( 4.035 3.670 1.768) 5.734 3.607 ( 1.747 1.977 0.610) 2.708 3.691 ( -0.774 -0.016 -0.329) 0.841 4.002 ( 0.769 -0.441 -0.246) 0.920 4.284 ( 0.999 -1.062 -1.852) 2.357 4.666 ( -3.815 -14.073 6.261) 15.868 5.163 ( -8.198 -0.709 -8.880) 12.106 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.426 10.424 -0.157) 10.703 1.661 ( -1.534 17.736 7.215) 19.209 2.058 ( 9.977 6.828 -2.191) 12.287 2.167 ( 5.204 5.402 -6.381) 9.848 2.640 ( 5.220 -0.050 -0.245) 5.226 3.066 ( 5.184 2.841 2.717) 6.506 3.658 ( 1.643 2.267 0.762) 2.902 3.689 ( 0.048 0.794 0.107) 0.803 3.984 ( -1.141 -1.720 -1.262) 2.419 4.293 ( 1.627 0.995 -1.547) 2.455 4.452 ( -10.085 -7.741 2.367) 12.931 5.024 ( -3.143 -5.256 -3.044) 6.839 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 2.356 10.449 1.219) 10.781 1.807 ( -1.165 14.386 2.048) 14.577 2.253 ( 5.820 5.825 0.569) 8.254 2.297 ( 4.865 6.341 -2.632) 8.415 2.668 ( 1.155 -3.679 -3.374) 5.124 3.148 ( 3.083 -0.531 1.611) 3.519 3.696 ( -0.323 1.646 0.298) 1.704 3.710 ( 1.661 0.908 0.725) 2.027 3.939 ( -1.220 -1.870 -0.498) 2.288 4.228 ( -11.433 0.719 -0.951) 11.495 4.376 ( 5.539 3.078 -0.060) 6.337 4.923 ( -0.849 -8.967 0.253) 9.011 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 0.571 9.128 0.532) 9.161 1.917 ( -0.381 11.880 -1.730) 12.012 2.340 ( -1.009 1.942 3.262) 3.928 2.409 ( 3.133 2.601 -0.995) 4.191 2.600 ( -4.297 0.321 -6.525) 7.819 3.204 ( 3.871 -0.372 3.734) 5.391 3.686 ( -1.539 -0.660 0.530) 1.757 3.748 ( 1.677 0.926 -0.399) 1.957 3.922 ( 0.676 -0.625 1.015) 1.370 4.087 ( -8.950 5.582 -0.999) 10.595 4.526 ( 8.321 2.628 -0.338) 8.732 4.817 ( -1.226 -9.787 0.876) 9.902 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -1.273 6.051 -1.284) 6.315 2.016 ( 0.328 10.194 -3.108) 10.662 2.288 ( -4.333 -3.214 3.866) 6.637 2.420 ( -1.245 -2.452 -1.216) 3.007 2.539 ( -6.129 8.089 -4.600) 11.143 3.279 ( 2.289 0.926 4.584) 5.207 3.647 ( -1.313 -2.191 0.218) 2.563 3.773 ( 0.497 0.383 -0.710) 0.947 3.952 ( 2.223 0.303 1.407) 2.649 4.027 ( -5.942 8.274 -0.804) 10.218 4.619 ( -0.777 -4.367 -0.510) 4.465 4.767 ( 7.916 -4.386 0.564) 9.068 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 13.176 0.056) 13.177 1.396 ( 0.000 10.555 -4.180) 11.353 1.802 ( -0.000 3.725 3.518) 5.123 1.924 ( 0.000 10.826 -13.681) 17.446 2.280 ( -0.000 13.004 11.920) 17.640 2.889 ( 0.000 3.971 1.099) 4.121 3.561 ( 0.000 2.190 -0.183) 2.197 3.733 ( -0.000 -1.297 0.270) 1.325 3.954 ( -0.000 2.148 1.741) 2.766 4.248 ( 0.000 -1.310 -1.115) 1.720 4.688 ( -0.000 -14.971 4.952) 15.768 5.365 ( 0.000 -1.352 -10.815) 10.899 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -2.012 8.760 -6.386) 11.026 1.602 ( 9.623 10.815 -2.830) 14.751 1.842 ( -2.041 8.693 4.803) 10.139 2.013 ( 3.254 7.312 -9.772) 12.631 2.475 ( 3.731 10.393 8.117) 13.705 2.950 ( 1.182 5.397 4.070) 6.862 3.599 ( 1.607 2.496 0.302) 2.984 3.709 ( -1.228 -0.328 -0.282) 1.302 3.984 ( 1.078 0.016 0.296) 1.118 4.245 ( 1.587 -1.950 0.511) 2.566 4.557 ( 0.210 -14.922 3.591) 15.349 5.260 ( -6.591 -1.818 -9.198) 11.460 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 2.839 8.586 -3.822) 9.818 1.881 ( 6.778 15.571 4.101) 17.470 1.919 ( 4.325 4.119 -2.109) 6.334 2.124 ( 4.084 8.260 -5.347) 10.654 2.594 ( 1.440 1.693 3.113) 3.825 3.051 ( 2.375 5.461 3.807) 7.068 3.655 ( 1.777 2.337 1.119) 3.142 3.698 ( -0.168 0.876 -0.605) 1.078 3.979 ( -0.599 -1.340 -1.009) 1.782 4.267 ( 2.444 -0.473 0.503) 2.540 4.440 ( -0.309 -11.029 2.234) 11.257 5.079 ( -8.830 -3.513 -5.884) 11.177 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.580 9.615 -0.507) 10.662 1.975 ( -1.919 8.264 3.449) 9.158 2.193 ( 10.562 10.236 0.087) 14.709 2.266 ( 5.203 8.111 -3.965) 10.420 2.600 ( 0.825 -3.549 0.586) 3.691 3.121 ( 0.804 1.874 0.575) 2.119 3.700 ( 0.999 1.123 1.260) 1.962 3.711 ( 0.409 1.340 -0.312) 1.435 3.941 ( -1.464 -1.821 -0.914) 2.509 4.325 ( 3.714 -0.684 1.360) 4.014 4.352 ( -2.829 -0.222 -0.817) 2.953 4.888 ( -6.117 -7.047 -1.913) 9.526 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.461 9.700 0.830) 10.042 2.031 ( -1.071 7.339 1.371) 7.543 2.354 ( 2.490 3.083 1.294) 4.169 2.401 ( 0.529 1.931 0.099) 2.005 2.621 ( 3.635 5.948 -4.844) 8.489 3.144 ( 2.322 -0.459 0.863) 2.520 3.707 ( -1.125 -0.755 0.181) 1.367 3.731 ( 1.020 0.874 0.249) 1.366 3.908 ( -0.167 -1.167 0.209) 1.198 4.271 ( -6.149 3.691 -0.713) 7.207 4.438 ( 5.280 3.167 0.002) 6.157 4.738 ( -1.891 -10.057 0.395) 10.241 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -2.038 7.864 0.967) 8.181 2.092 ( 0.006 6.743 -0.163) 6.745 2.318 ( -3.537 -5.304 1.229) 6.493 2.404 ( 0.531 -1.165 -0.249) 1.304 2.723 ( -3.907 14.102 -4.816) 15.405 3.221 ( 6.030 -0.134 2.218) 6.426 3.661 ( -2.456 -1.519 -0.080) 2.889 3.757 ( 1.365 -0.250 0.140) 1.395 3.917 ( 1.813 -0.800 0.894) 2.174 4.214 ( -6.734 7.750 -0.741) 10.294 4.548 ( 5.333 -0.215 -0.317) 5.347 4.634 ( 0.809 -9.241 0.792) 9.310 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 5.049 -10.387) 11.549 1.503 ( 0.000 6.003 -8.701) 10.571 1.969 ( -0.000 8.743 7.348) 11.420 2.057 ( 0.000 10.718 -5.037) 11.842 2.572 ( -0.000 8.203 7.783) 11.308 3.017 ( 0.000 7.209 5.653) 9.161 3.613 ( 0.000 3.101 0.041) 3.101 3.712 ( -0.000 -0.847 -0.325) 0.907 3.975 ( -0.000 -0.193 0.082) 0.210 4.201 ( -0.000 -5.340 3.455) 6.361 4.435 ( -0.000 -10.054 -0.260) 10.058 5.265 ( 0.000 -3.333 -8.234) 8.883 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.040 5.568 -6.507) 8.627 1.674 ( 12.781 3.153 -9.747) 16.380 2.071 ( -0.482 10.126 6.625) 12.111 2.162 ( 1.383 10.373 -1.873) 10.631 2.628 ( -1.374 0.733 5.893) 6.095 3.109 ( 0.029 7.629 4.096) 8.659 3.655 ( 1.318 2.917 0.275) 3.212 3.704 ( -0.037 0.025 -0.343) 0.346 3.972 ( -0.025 -0.731 -0.988) 1.230 4.172 ( 3.833 -9.230 4.307) 10.883 4.374 ( -0.320 -1.355 -1.703) 2.200 5.154 ( -5.922 -4.524 -6.237) 9.718 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 6.275 6.993 -2.036) 9.614 1.894 ( 12.868 1.033 -6.900) 14.638 2.212 ( 3.209 12.035 5.513) 13.621 2.278 ( 2.207 8.177 -1.292) 8.568 2.591 ( -2.313 -3.980 4.973) 6.777 3.164 ( -1.656 4.790 -0.051) 5.068 3.703 ( 1.107 2.086 0.653) 2.450 3.708 ( 0.384 0.108 -0.175) 0.436 3.948 ( -1.298 -1.016 -1.333) 2.120 4.191 ( 7.301 -8.118 2.661) 11.238 4.385 ( -0.289 4.941 -0.808) 5.015 4.962 ( -9.051 -5.523 -3.648) 11.213 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 6.787 7.215 -0.319) 9.910 2.046 ( 5.582 2.102 -1.862) 6.249 2.358 ( 1.382 4.328 0.653) 4.590 2.401 ( 1.764 1.605 -0.051) 2.385 2.581 ( 5.986 4.531 3.742) 8.389 3.156 ( -2.508 2.720 -1.779) 4.105 3.704 ( -0.071 -1.460 0.691) 1.617 3.734 ( 0.303 1.336 -0.320) 1.406 3.913 ( -1.367 -0.390 -0.788) 1.625 4.263 ( 6.876 -3.507 1.024) 7.787 4.439 ( 0.124 5.954 -0.096) 5.956 4.746 ( -8.567 -6.490 -1.331) 10.829 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 3.423 5.928 -0.000) 6.845 2.128 ( 1.930 3.342 0.000) 3.859 2.322 ( -3.791 -6.567 -0.000) 7.583 2.391 ( 0.136 0.235 -0.000) 0.272 2.842 ( 7.876 13.642 -0.000) 15.752 3.147 ( 0.419 0.726 -0.000) 0.838 3.683 ( -0.876 -1.517 -0.000) 1.752 3.737 ( -0.295 -0.512 -0.000) 0.591 3.896 ( -0.129 -0.223 -0.000) 0.258 4.336 ( 1.511 2.617 -0.000) 3.022 4.487 ( 0.948 1.641 -0.000) 1.895 4.572 ( -3.788 -6.562 -0.000) 7.577 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 2.623 -8.628) 9.018 1.563 ( 0.000 4.828 -4.321) 6.479 2.169 ( 0.000 7.700 3.640) 8.517 2.248 ( 0.000 9.733 -0.301) 9.738 2.648 ( -0.000 -3.991 6.777) 7.865 3.198 ( 0.000 7.527 2.155) 7.830 3.671 ( 0.000 2.536 -0.433) 2.573 3.702 ( 0.000 0.285 0.028) 0.286 3.962 ( 0.000 -0.397 -1.124) 1.192 4.047 ( -0.000 -10.938 3.446) 11.468 4.396 ( 0.000 5.377 -1.302) 5.533 5.135 ( 0.000 -5.987 -5.249) 7.962 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.792 4.631 -2.900) 7.268 1.690 ( 10.144 3.544 -2.987) 11.152 2.262 ( 2.506 6.346 1.672) 7.025 2.334 ( 0.247 7.432 0.174) 7.438 2.596 ( -1.763 -6.932 6.536) 9.689 3.245 ( -1.866 5.131 -1.481) 5.657 3.692 ( 0.903 0.469 -1.243) 1.606 3.718 ( 0.281 1.724 1.194) 2.116 3.953 ( -0.651 -0.366 -1.705) 1.862 4.003 ( 5.452 -8.161 2.408) 10.106 4.458 ( -0.691 8.533 -0.075) 8.561 5.015 ( -5.170 -6.698 -3.577) 9.186 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 8.040 4.416 -0.933) 9.220 1.911 ( 11.502 3.633 -0.375) 12.068 2.365 ( 2.597 1.022 -2.218) 3.565 2.398 ( 0.676 4.539 1.371) 4.789 2.539 ( 1.969 -3.650 6.877) 8.031 3.237 ( -3.010 4.132 -3.370) 6.123 3.690 ( -0.180 -1.820 -0.262) 1.847 3.744 ( 0.377 1.786 0.546) 1.905 3.933 ( -1.074 0.568 -1.500) 1.930 4.076 ( 9.438 -4.694 1.266) 10.616 4.522 ( -1.725 8.222 0.499) 8.416 4.830 ( -8.195 -6.247 -1.888) 10.476 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 5.428 0.464) 5.448 1.642 ( 0.000 4.522 0.882) 4.607 2.283 ( 0.000 2.914 -0.697) 2.996 2.396 ( 0.000 5.353 0.273) 5.360 2.552 ( -0.000 -8.814 5.996) 10.660 3.293 ( 0.000 3.007 -4.193) 5.160 3.684 ( 0.000 0.337 -1.418) 1.457 3.736 ( 0.000 1.789 1.184) 2.146 3.891 ( -0.000 -6.564 1.983) 6.857 3.956 ( 0.000 0.715 -1.797) 1.935 4.558 ( 0.000 10.219 0.759) 10.247 4.980 ( -0.000 -7.228 -2.673) 7.706 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 3.637 5.063 2.271) 6.634 1.782 ( 9.474 5.642 3.808) 11.666 2.313 ( 2.383 -0.687 -2.907) 3.821 2.434 ( -0.008 2.537 0.521) 2.590 2.484 ( 0.214 -7.583 5.190) 9.191 3.288 ( -1.029 1.923 -5.787) 6.184 3.680 ( -0.380 -0.832 -0.883) 1.271 3.756 ( 0.266 1.261 1.130) 1.714 3.895 ( 5.663 -3.242 1.063) 6.611 3.959 ( 0.120 0.978 -1.481) 1.779 4.636 ( -1.757 7.279 1.050) 7.562 4.875 ( -4.496 -4.472 -1.569) 6.533 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -0.000 8.839 7.533) 11.613 1.742 ( -0.000 4.046 4.668) 6.178 2.263 ( 0.000 -3.508 -4.073) 5.376 2.417 ( -0.000 -6.112 2.411) 6.570 2.452 ( -0.000 -1.115 1.246) 1.672 3.280 ( 0.000 -0.139 -7.467) 7.469 3.679 ( 0.000 -0.022 -1.203) 1.203 3.765 ( -0.000 0.328 1.146) 1.192 3.820 ( -0.000 -2.190 1.623) 2.726 3.970 ( 0.000 1.804 -1.715) 2.489 4.682 ( -0.000 -2.710 0.973) 2.880 4.911 ( 0.000 5.445 -0.827) 5.507 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 -0.000 17.107) 17.107 0.724 ( 0.000 -0.000 17.107) 17.107 1.198 ( 0.000 -0.000 29.683) 29.683 1.881 ( -0.000 0.000 -7.539) 7.539 1.881 ( -0.000 0.000 -7.539) 7.539 3.196 ( -0.000 0.000 -19.920) 19.920 3.530 ( 0.000 0.000 -0.433) 0.433 3.530 ( 0.000 0.000 -0.433) 0.433 3.774 ( 0.000 -0.000 1.259) 1.259 3.774 ( 0.000 -0.000 1.259) 1.259 4.814 ( 0.000 -0.000 6.877) 6.877 5.705 ( -0.000 0.000 -1.023) 1.023 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 1.239 0.715 16.057) 16.121 0.909 ( 5.163 2.981 18.916) 19.833 1.381 ( 8.498 4.906 12.739) 16.081 1.881 ( 5.180 2.991 -2.263) 6.396 1.918 ( 2.955 1.706 -7.129) 7.903 2.924 ( -6.640 -3.833 -9.928) 12.543 3.538 ( 0.503 0.290 -0.669) 0.886 3.762 ( -1.109 -0.640 1.380) 1.883 3.824 ( 6.838 3.948 1.551) 8.046 4.011 ( 20.764 11.988 -14.831) 28.193 4.869 ( 3.216 1.857 4.558) 5.880 5.580 ( -10.380 -5.993 -1.625) 12.096 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 6.866 3.964 12.029) 14.407 1.040 ( 1.722 0.994 18.284) 18.392 1.588 ( 10.586 6.112 -10.481) 16.102 1.968 ( 3.504 2.023 -6.328) 7.511 2.122 ( 14.115 8.149 9.471) 18.850 2.855 ( 1.756 1.014 -7.980) 8.234 3.551 ( 1.006 0.581 -0.993) 1.528 3.737 ( -1.514 -0.874 1.507) 2.308 3.957 ( 4.459 2.575 1.478) 5.357 4.269 ( 6.443 3.720 -8.536) 11.323 4.961 ( 2.629 1.518 4.653) 5.555 5.281 ( -14.407 -8.318 -5.933) 17.662 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 9.750 5.629 7.628) 13.599 1.127 ( 3.084 1.781 9.978) 10.594 1.809 ( 11.869 6.853 -8.391) 16.070 2.034 ( 4.042 2.333 -5.008) 6.845 2.467 ( 13.317 7.688 6.063) 16.529 2.929 ( 6.295 3.634 -3.760) 8.183 3.579 ( 1.851 1.069 -1.120) 2.413 3.709 ( -1.322 -0.763 1.471) 2.120 4.016 ( 0.777 0.448 -0.610) 1.085 4.309 ( 0.050 0.029 -3.460) 3.461 4.822 ( -17.703 -10.221 5.211) 21.096 5.103 ( 1.363 0.787 -5.947) 6.152 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.824 3.362 4.610) 8.154 1.322 ( 9.671 5.583 3.716) 11.769 2.045 ( 10.785 6.227 -3.422) 12.915 2.116 ( 4.412 2.548 -2.974) 5.900 2.699 ( 6.476 3.739 -0.289) 7.484 3.086 ( 7.156 4.132 0.401) 8.273 3.623 ( 2.224 1.284 -0.758) 2.678 3.692 ( -0.364 -0.210 1.024) 1.107 3.999 ( -1.673 -0.966 -1.546) 2.474 4.297 ( 0.360 0.208 -2.647) 2.679 4.428 ( -16.832 -9.718 1.542) 19.497 5.114 ( -0.593 -0.342 0.244) 0.727 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 6.976 4.027 0.595) 8.077 1.521 ( 7.620 4.399 0.191) 8.801 2.205 ( 3.859 2.228 -0.334) 4.469 2.254 ( 8.471 4.891 -1.037) 9.837 2.743 ( -2.168 -1.251 -3.291) 4.134 3.201 ( 2.821 1.629 1.960) 3.802 3.658 ( 0.776 0.448 0.738) 1.161 3.708 ( 1.733 1.001 -0.528) 2.070 3.953 ( -1.599 -0.923 -0.376) 1.884 4.093 ( -11.350 -6.553 -0.898) 13.137 4.383 ( 6.275 3.623 -0.081) 7.246 5.068 ( -3.801 -2.194 1.531) 4.648 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 7.277 4.201 -3.809) 9.225 1.658 ( 5.245 3.028 -2.672) 6.620 2.270 ( 1.347 0.778 2.199) 2.693 2.399 ( 4.580 2.645 -0.408) 5.305 2.603 ( -8.007 -4.623 -5.163) 10.590 3.248 ( 0.915 0.528 5.705) 5.803 3.672 ( 0.305 0.176 1.204) 1.254 3.746 ( 1.602 0.925 -1.068) 2.135 3.905 ( -5.615 -3.242 -1.185) 6.591 3.942 ( 0.287 0.166 1.360) 1.400 4.565 ( 9.259 5.346 -0.695) 10.714 4.961 ( -5.782 -3.338 1.401) 6.822 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -0.000 6.921 15.994) 17.427 0.964 ( -0.000 9.401 11.064) 14.518 1.441 ( -0.000 8.239 17.421) 19.271 1.793 ( 0.000 -1.640 -6.555) 6.757 1.936 ( 0.000 6.754 -4.709) 8.234 2.899 ( 0.000 -7.232 -10.321) 12.603 3.524 ( 0.000 0.006 -0.228) 0.228 3.765 ( 0.000 6.968 0.531) 6.988 3.777 ( -0.000 -0.693 0.896) 1.133 4.000 ( 0.000 20.828 -10.490) 23.321 4.882 ( -0.000 2.885 4.337) 5.209 5.595 ( -0.000 -9.135 -2.416) 9.449 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.047 10.554 10.999) 15.279 1.134 ( 2.198 8.693 15.295) 17.730 1.520 ( -0.099 7.530 -5.968) 9.608 1.878 ( 8.278 1.573 -5.036) 9.817 2.046 ( 6.745 9.055 5.733) 12.663 2.823 ( -0.019 0.161 -7.877) 7.879 3.542 ( 1.180 0.672 -0.320) 1.395 3.739 ( -1.236 -1.417 0.637) 1.985 3.908 ( 5.562 3.544 2.337) 6.996 4.187 ( 5.791 9.377 -8.608) 13.984 4.935 ( 2.275 0.875 3.922) 4.617 5.403 ( -10.229 -9.127 -5.125) 14.635 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 3.078 10.051 5.800) 12.006 1.243 ( -3.795 10.357 14.729) 18.401 1.661 ( 10.521 8.245 -9.102) 16.171 1.975 ( 4.602 2.877 -7.950) 9.626 2.341 ( 12.690 8.579 7.311) 16.974 2.861 ( 4.239 3.847 -4.295) 7.156 3.570 ( 0.978 1.841 -0.469) 2.137 3.711 ( -0.443 -1.922 0.694) 2.091 3.998 ( 2.031 1.068 0.280) 2.312 4.282 ( 2.174 1.112 -3.741) 4.467 4.946 ( -3.664 -10.566 9.576) 14.723 5.124 ( -8.994 -0.189 -10.844) 14.090 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 3.916 7.379 3.158) 8.930 1.365 ( -0.308 14.671 10.145) 17.840 1.912 ( 11.696 7.572 -3.493) 14.364 2.061 ( 4.881 3.719 -6.340) 8.823 2.600 ( 9.012 4.038 0.353) 9.882 2.999 ( 7.456 4.653 -0.274) 8.793 3.609 ( 1.435 2.538 -0.515) 2.961 3.694 ( -0.090 -1.066 0.831) 1.354 4.005 ( -0.695 -0.827 -1.141) 1.571 4.286 ( 0.122 -0.397 -2.181) 2.220 4.632 ( -17.056 -10.147 0.942) 19.868 5.088 ( 1.372 -1.909 -0.206) 2.360 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 3.604 7.831 3.128) 9.171 1.537 ( 1.257 13.390 4.569) 14.204 2.145 ( 8.542 5.395 -1.074) 10.160 2.174 ( 5.835 5.522 -3.312) 8.690 2.712 ( 3.048 -1.185 -3.018) 4.450 3.145 ( 5.541 1.711 0.264) 5.805 3.657 ( 1.218 2.285 -0.083) 2.591 3.696 ( 0.633 0.441 0.577) 0.963 3.969 ( -1.591 -1.302 -0.737) 2.184 4.250 ( -11.066 -2.913 -3.533) 11.976 4.341 ( -0.885 -0.150 1.777) 1.991 5.068 ( -0.234 -5.483 2.317) 5.957 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 2.947 7.613 1.000) 8.225 1.677 ( 0.669 11.294 -0.148) 11.315 2.268 ( 2.628 4.484 0.208) 5.201 2.337 ( 6.346 4.105 -0.628) 7.584 2.651 ( -4.769 -4.841 -5.502) 8.743 3.226 ( 3.572 -0.204 2.856) 4.578 3.682 ( -0.235 1.108 1.041) 1.538 3.726 ( 1.614 1.193 -0.757) 2.145 3.941 ( -0.390 -0.863 0.988) 1.368 4.022 ( -10.223 0.194 -1.620) 10.352 4.458 ( 8.334 4.015 -0.179) 9.252 4.988 ( -2.766 -7.212 2.225) 8.038 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.000 12.000 10.728) 16.096 1.190 ( 0.000 9.859 0.667) 9.881 1.663 ( 0.000 10.886 -7.279) 13.096 1.762 ( 0.000 1.278 -0.369) 1.330 2.098 ( 0.000 10.014 7.391) 12.446 2.812 ( 0.000 2.410 -5.751) 6.235 3.531 ( 0.000 0.905 -0.040) 0.906 3.761 ( -0.000 -1.361 0.376) 1.412 3.894 ( 0.000 4.969 3.172) 5.895 4.204 ( 0.000 6.567 -5.052) 8.286 4.918 ( -0.000 -4.336 5.163) 6.742 5.388 ( 0.000 -7.142 -8.748) 11.294 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.164 10.073 0.775) 10.332 1.390 ( 6.545 10.526 4.990) 13.362 1.652 ( -3.292 11.180 -4.427) 12.467 1.883 ( 6.186 3.326 -7.727) 10.442 2.293 ( 6.886 10.969 9.741) 16.206 2.847 ( 1.476 5.407 -2.570) 6.166 3.562 ( 1.827 1.503 0.128) 2.370 3.720 ( -2.249 -0.901 0.033) 2.423 3.974 ( 2.577 1.641 1.738) 3.515 4.252 ( 1.705 1.578 -1.812) 2.946 4.868 ( 0.900 -12.882 7.644) 15.006 5.241 ( -7.747 -1.260 -11.341) 13.792 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.076 8.955 -1.176) 9.267 1.587 ( -0.641 16.133 9.594) 18.781 1.794 ( 9.021 8.614 -3.430) 12.936 1.982 ( 5.460 4.028 -8.262) 10.691 2.519 ( 6.463 6.388 3.209) 9.638 2.951 ( 4.339 6.194 0.825) 7.608 3.611 ( 1.696 2.429 0.337) 2.982 3.688 ( -0.593 -0.391 -0.208) 0.740 4.000 ( 0.114 -0.757 -0.189) 0.789 4.271 ( 0.622 -0.416 -0.959) 1.216 4.718 ( -5.265 -15.381 4.772) 16.943 5.093 ( -5.415 0.123 -6.221) 8.248 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 3.902 9.558 0.642) 10.344 1.739 ( -3.804 16.857 9.457) 19.699 2.035 ( 11.714 6.143 -3.547) 13.694 2.111 ( 6.499 6.535 -5.087) 10.528 2.634 ( 3.579 0.107 -1.156) 3.762 3.081 ( 4.500 3.258 0.607) 5.588 3.662 ( 1.179 2.826 0.169) 3.066 3.691 ( 0.696 0.484 0.255) 0.885 3.975 ( -1.192 -1.712 -0.578) 2.164 4.281 ( 1.144 1.346 -1.162) 2.114 4.465 ( -11.160 -7.585 0.250) 13.496 5.012 ( -0.795 -5.999 0.538) 6.076 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 2.721 9.991 1.462) 10.458 1.839 ( -3.877 13.433 5.000) 14.848 2.251 ( 6.807 7.820 -2.236) 10.606 2.274 ( 6.311 5.696 -1.250) 8.593 2.633 ( -0.533 -4.046 -4.274) 5.909 3.160 ( 3.889 -0.238 0.859) 3.990 3.700 ( 0.181 1.791 0.511) 1.871 3.712 ( 1.011 0.774 -0.222) 1.293 3.939 ( -0.682 -1.705 0.479) 1.898 4.214 ( -11.168 1.356 -2.208) 11.464 4.379 ( 5.023 2.714 0.556) 5.736 4.935 ( -0.350 -9.607 2.241) 9.871 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 8.209 -8.531) 11.839 1.343 ( 0.000 7.433 -1.948) 7.684 1.810 ( 0.000 12.462 -10.767) 16.469 1.852 ( -0.000 5.799 6.873) 8.993 2.385 ( -0.000 12.539 10.751) 16.517 2.893 ( 0.000 7.176 -0.171) 7.178 3.561 ( 0.000 2.182 0.164) 2.188 3.733 ( -0.000 -1.434 -0.228) 1.452 3.971 ( -0.000 1.277 2.138) 2.490 4.245 ( -0.000 0.155 0.518) 0.541 4.736 ( -0.000 -16.831 5.724) 17.778 5.264 ( 0.000 -0.273 -11.213) 11.216 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.478 7.263 -6.106) 9.501 1.549 ( 12.638 6.653 -8.275) 16.506 1.889 ( -2.264 12.597 3.136) 13.178 1.958 ( 2.350 8.088 -0.622) 8.445 2.542 ( 1.624 8.904 6.359) 11.062 2.979 ( 1.208 7.752 2.313) 8.180 3.602 ( 1.832 2.544 0.319) 3.151 3.705 ( -1.334 -0.436 -0.430) 1.468 3.988 ( 0.500 -0.697 0.658) 1.081 4.253 ( 0.865 -0.733 1.312) 1.734 4.591 ( 0.811 -17.436 3.885) 17.882 5.179 ( -5.776 -0.422 -8.488) 10.276 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 4.679 8.514 -2.305) 9.985 1.825 ( 16.084 4.553 -9.315) 19.137 1.980 ( -2.945 13.332 8.233) 15.943 2.093 ( 3.769 9.821 -1.204) 10.588 2.618 ( -0.249 2.228 2.292) 3.206 3.076 ( 1.405 5.336 1.671) 5.766 3.661 ( 2.025 2.420 0.386) 3.179 3.694 ( -0.165 0.937 -0.348) 1.013 3.974 ( -0.777 -1.704 -0.265) 1.892 4.272 ( 1.378 0.910 0.764) 1.819 4.458 ( -0.300 -12.945 1.596) 13.047 5.033 ( -7.016 -3.075 -3.885) 8.589 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 5.479 9.490 -0.000) 10.958 1.993 ( 2.131 3.691 0.000) 4.262 2.194 ( 8.751 15.158 0.000) 17.503 2.245 ( 4.283 7.419 -0.000) 8.567 2.603 ( -1.406 -2.435 -0.000) 2.811 3.124 ( 0.708 1.227 -0.000) 1.417 3.706 ( 0.754 1.307 -0.000) 1.509 3.710 ( 0.695 1.203 -0.000) 1.390 3.937 ( -1.133 -1.962 -0.000) 2.266 4.333 ( 2.470 4.279 0.000) 4.941 4.347 ( -2.734 -4.735 -0.000) 5.468 4.879 ( -4.405 -7.629 -0.000) 8.809 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 3.801 -10.384) 11.058 1.428 ( 0.000 7.244 -7.689) 10.564 2.027 ( 0.000 12.978 -1.729) 13.093 2.031 ( -0.000 7.795 6.260) 9.998 2.637 ( -0.000 6.981 6.217) 9.348 3.059 ( 0.000 8.320 3.489) 9.022 3.614 ( 0.000 3.045 0.274) 3.057 3.707 ( -0.000 -0.876 -0.621) 1.074 3.978 ( -0.000 -1.071 0.620) 1.238 4.236 ( -0.000 -3.266 3.931) 5.111 4.434 ( -0.000 -13.442 0.013) 13.442 5.193 ( 0.000 -1.936 -7.406) 7.655 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 3.173 6.338 -4.919) 8.628 1.594 ( 12.109 4.934 -7.813) 15.232 2.123 ( 0.320 8.828 4.557) 9.940 2.154 ( 1.286 10.956 0.229) 11.034 2.676 ( -2.137 1.291 4.726) 5.346 3.137 ( -0.721 6.446 2.035) 6.798 3.656 ( 1.411 2.654 0.049) 3.006 3.701 ( 0.068 0.329 -0.357) 0.490 3.966 ( -0.215 -1.419 -0.191) 1.448 4.212 ( 3.359 -9.584 4.488) 11.103 4.358 ( 0.093 -1.708 -1.851) 2.520 5.102 ( -5.316 -3.489 -4.932) 8.048 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 5.272 -4.879) 7.184 1.532 ( 0.000 6.834 -2.343) 7.225 2.194 ( 0.000 6.062 2.041) 6.397 2.247 ( 0.000 10.024 0.320) 10.029 2.704 ( -0.000 -3.381 5.336) 6.317 3.209 ( 0.000 5.171 0.189) 5.175 3.665 ( 0.000 1.614 -0.737) 1.775 3.704 ( 0.000 1.234 0.394) 1.296 3.954 ( -0.000 -1.033 -0.557) 1.174 4.076 ( -0.000 -12.177 2.756) 12.485 4.386 ( 0.000 6.454 -0.804) 6.504 5.093 ( -0.000 -4.990 -3.882) 6.322 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 -0.000 13.708) 13.708 0.865 ( 0.000 -0.000 13.708) 13.708 1.447 ( 0.000 -0.000 24.990) 24.990 1.812 ( -0.000 0.000 -7.324) 7.324 1.812 ( -0.000 0.000 -7.324) 7.324 3.019 ( -0.000 0.000 -18.689) 18.689 3.527 ( -0.000 0.000 -0.299) 0.299 3.527 ( -0.000 0.000 -0.299) 0.299 3.784 ( 0.000 -0.000 0.958) 0.958 3.784 ( 0.000 -0.000 0.958) 0.958 4.868 ( 0.000 -0.000 5.038) 5.038 5.697 ( -0.000 0.000 -0.870) 0.870 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.724 0.418 14.140) 14.164 1.059 ( 8.484 4.898 13.494) 16.675 1.455 ( -3.647 -2.105 3.923) 5.755 1.850 ( 3.146 1.816 -7.602) 8.425 1.893 ( 10.261 5.924 4.726) 12.756 2.830 ( -5.085 -2.936 -10.368) 11.915 3.532 ( 0.357 0.206 -0.578) 0.710 3.773 ( -1.010 -0.583 1.087) 1.594 3.839 ( 9.787 5.650 1.505) 11.401 3.902 ( 16.599 9.584 -9.450) 21.370 4.906 ( 2.275 1.313 3.411) 4.305 5.568 ( -10.864 -6.273 -0.997) 12.585 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.353 3.091 12.290) 13.757 1.208 ( -1.476 -0.852 18.259) 18.338 1.483 ( 10.655 6.152 -11.933) 17.139 1.906 ( 3.973 2.294 -7.395) 8.703 2.198 ( 14.033 8.102 6.431) 17.433 2.787 ( 2.948 1.702 -6.469) 7.310 3.543 ( 0.898 0.518 -0.828) 1.326 3.749 ( -1.448 -0.836 1.186) 2.050 3.964 ( 3.766 2.174 -0.043) 4.348 4.202 ( 8.859 5.115 -6.009) 11.863 4.993 ( 4.649 2.684 1.976) 5.721 5.247 ( -17.154 -9.904 -1.257) 19.848 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 7.987 4.611 9.348) 13.131 1.223 ( 0.707 0.408 10.557) 10.588 1.751 ( 13.637 7.874 -4.164) 16.289 1.982 ( 4.863 2.808 -6.555) 8.631 2.496 ( 11.275 6.510 0.013) 13.020 2.901 ( 7.978 4.606 -2.247) 9.483 3.570 ( 1.853 1.070 -0.839) 2.299 3.721 ( -1.342 -0.775 1.148) 1.928 4.006 ( 0.392 0.226 -1.422) 1.492 4.279 ( 0.809 0.467 -2.967) 3.110 4.834 ( -18.963 -10.948 -2.756) 22.069 5.096 ( 3.036 1.753 4.521) 5.721 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.939 2.274 8.312) 9.475 1.366 ( 7.852 4.533 5.973) 10.857 2.024 ( 11.589 6.691 -1.105) 13.427 2.081 ( 5.637 3.255 -4.754) 8.060 2.681 ( 5.744 3.316 -3.521) 7.509 3.081 ( 7.672 4.429 -1.455) 8.977 3.618 ( 2.486 1.435 -0.519) 2.917 3.701 ( -0.640 -0.370 0.860) 1.134 3.986 ( -1.483 -0.856 -1.195) 2.088 4.270 ( -0.943 -0.545 -3.456) 3.624 4.434 ( -14.780 -8.533 0.131) 17.067 5.137 ( -0.730 -0.421 4.715) 4.790 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 6.669 14.670) 16.114 1.038 ( 0.000 6.712 4.736) 8.214 1.544 ( -0.000 0.080 4.279) 4.279 1.747 ( 0.000 -0.302 -2.979) 2.994 1.920 ( 0.000 10.046 1.840) 10.213 2.805 ( 0.000 -4.827 -9.666) 10.804 3.523 ( 0.000 0.043 0.014) 0.045 3.773 ( 0.000 10.498 1.329) 10.582 3.783 ( -0.000 -0.787 0.426) 0.895 3.926 ( 0.000 17.000 -6.082) 18.055 4.915 ( -0.000 2.227 2.819) 3.592 5.577 ( -0.000 -10.807 -1.674) 10.936 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -1.299 7.151 9.035) 11.596 1.252 ( 9.208 7.106 9.942) 15.301 1.455 ( -6.404 4.880 -7.034) 10.691 1.823 ( 5.557 1.230 -5.826) 8.145 2.110 ( 8.565 10.797 6.769) 15.354 2.758 ( 0.536 1.731 -5.850) 6.124 3.540 ( 0.922 0.890 -0.173) 1.293 3.744 ( -1.100 -1.618 0.359) 1.989 3.928 ( 4.524 3.601 1.865) 6.076 4.123 ( 6.468 11.854 -5.143) 14.450 4.965 ( 2.477 2.460 2.443) 4.261 5.366 ( -10.093 -12.697 -2.900) 16.477 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 3.404 5.653 5.835) 8.809 1.362 ( -4.437 9.362 10.348) 14.643 1.599 ( 12.752 9.851 -3.528) 16.496 1.903 ( 5.027 2.296 -7.446) 9.273 2.383 ( 10.047 8.424 1.391) 13.185 2.831 ( 5.161 5.494 -1.947) 7.785 3.566 ( 0.701 2.169 -0.362) 2.308 3.716 ( -0.103 -2.299 0.444) 2.343 3.997 ( 1.102 1.225 -0.592) 1.751 4.255 ( 2.374 2.314 -2.150) 3.951 5.016 ( -15.855 -12.111 -3.176) 20.202 5.051 ( 4.260 0.592 3.843) 5.768 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 5.029 5.007 4.899) 8.624 1.461 ( -1.960 14.187 10.653) 17.849 1.894 ( 12.380 7.987 -0.409) 14.739 2.000 ( 6.183 3.466 -6.950) 9.927 2.586 ( 7.509 4.192 -3.367) 9.235 2.994 ( 7.338 5.430 -1.024) 9.186 3.605 ( 1.305 2.807 -0.393) 3.120 3.701 ( 0.144 -1.302 0.615) 1.447 3.996 ( -0.921 -0.549 -0.991) 1.460 4.268 ( -0.180 0.046 -1.830) 1.839 4.622 ( -17.212 -9.095 -2.663) 19.649 5.114 ( 2.717 -3.441 5.480) 7.018 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 7.003 -6.340) 9.447 1.220 ( -0.000 7.332 12.148) 14.189 1.557 ( 0.000 7.573 -14.749) 16.580 1.783 ( -0.000 3.462 4.710) 5.846 2.176 ( 0.000 12.570 8.270) 15.047 2.765 ( 0.000 4.325 -4.049) 5.924 3.532 ( 0.000 0.910 0.283) 0.953 3.762 ( -0.000 -1.473 -0.170) 1.482 3.925 ( 0.000 4.624 3.536) 5.821 4.170 ( 0.000 9.115 -2.311) 9.403 4.962 ( -0.000 -1.480 4.339) 4.585 5.314 ( -0.000 -11.707 -7.317) 13.805 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.557 6.263 -2.822) 6.892 1.410 ( 10.094 5.145 -0.618) 11.346 1.610 ( -0.676 14.868 -4.731) 15.617 1.855 ( 1.801 4.159 1.991) 4.950 2.364 ( 4.597 11.337 5.414) 13.379 2.828 ( 1.997 7.318 -1.266) 7.690 3.563 ( 1.775 1.607 0.239) 2.406 3.719 ( -2.215 -1.092 -0.175) 2.476 3.988 ( 1.495 1.359 1.340) 2.425 4.244 ( 1.453 2.878 0.171) 3.228 4.941 ( 1.770 -13.544 8.636) 16.161 5.140 ( -7.335 -1.487 -11.044) 13.341 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 4.096 7.095 -0.000) 8.192 1.637 ( 7.068 12.242 -0.000) 14.136 1.777 ( 5.793 10.035 -0.000) 11.587 1.939 ( 3.243 5.617 -0.000) 6.486 2.534 ( 3.927 6.801 -0.000) 7.854 2.955 ( 4.219 7.307 -0.000) 8.437 3.613 ( 1.542 2.671 -0.000) 3.084 3.688 ( -0.364 -0.631 -0.000) 0.728 3.999 ( -0.406 -0.703 -0.000) 0.811 4.266 ( 0.033 0.057 -0.000) 0.066 4.742 ( -8.592 -14.882 -0.000) 17.184 5.062 ( -0.637 -1.103 0.000) 1.274 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 8.026 -9.827) 12.688 1.304 ( 0.000 1.873 -6.880) 7.130 1.744 ( 0.000 15.614 -3.227) 15.944 1.918 ( -0.000 6.157 7.405) 9.630 2.465 ( 0.000 12.046 6.566) 13.720 2.891 ( 0.000 9.236 0.089) 9.237 3.564 ( 0.000 2.160 0.510) 2.220 3.729 ( -0.000 -1.521 -0.716) 1.681 3.991 ( -0.000 0.607 2.003) 2.093 4.257 ( -0.000 0.999 1.960) 2.200 4.790 ( -0.000 -19.136 5.967) 20.045 5.167 ( 0.000 1.303 -9.979) 10.063 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.000 -0.000 8.082) 8.082 0.966 ( 0.000 -0.000 8.082) 8.082 1.636 ( 0.000 -0.000 15.722) 15.722 1.755 ( -0.000 0.000 -4.890) 4.890 1.755 ( -0.000 0.000 -4.890) 4.890 2.872 ( -0.000 0.000 -12.622) 12.622 3.525 ( -0.000 0.000 -0.150) 0.150 3.525 ( 0.000 0.000 -0.150) 0.150 3.791 ( 0.000 -0.000 0.514) 0.514 3.791 ( 0.000 -0.000 0.514) 0.514 4.903 ( 0.000 -0.000 2.657) 2.657 5.690 ( -0.000 0.000 -0.504) 0.504 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.347 0.778 10.136) 10.255 1.132 ( 10.780 6.224 1.541) 12.543 1.481 ( -9.830 -5.675 3.836) 11.981 1.785 ( 2.737 1.580 -6.286) 7.036 1.942 ( 11.810 6.819 4.317) 14.304 2.752 ( -3.417 -1.973 -5.703) 6.935 3.528 ( 0.221 0.127 -0.426) 0.496 3.781 ( -0.897 -0.518 0.636) 1.215 3.828 ( 18.761 10.832 -4.977) 22.228 3.861 ( 6.061 3.499 1.500) 7.158 4.928 ( 1.849 1.067 1.490) 2.603 5.563 ( -10.852 -6.265 -0.176) 12.532 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 4.988 2.880 10.624) 12.084 1.314 ( -2.907 -1.678 -3.532) 4.872 1.428 ( 12.480 7.205 8.487) 16.724 1.838 ( 3.939 2.274 -7.192) 8.509 2.224 ( 12.506 7.221 -1.361) 14.505 2.750 ( 3.921 2.264 -1.200) 4.684 3.536 ( 0.825 0.476 -0.579) 1.115 3.757 ( -1.367 -0.789 0.713) 1.733 3.953 ( 3.557 2.054 -2.340) 4.728 4.166 ( 9.320 5.381 -1.640) 10.886 4.992 ( 2.500 1.443 -2.021) 3.524 5.261 ( -14.880 -8.591 4.096) 17.663 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 3.702 -3.408) 5.032 1.089 ( -0.000 9.232 9.876) 13.519 1.529 ( -0.000 -7.495 -5.431) 9.256 1.744 ( -0.000 1.688 2.354) 2.897 1.950 ( 0.000 12.565 2.601) 12.831 2.741 ( 0.000 -3.362 -3.434) 4.806 3.525 ( -0.000 0.127 0.235) 0.267 3.785 ( -0.000 -0.906 -0.107) 0.912 3.792 ( 0.000 15.155 2.920) 15.434 3.885 ( 0.000 12.437 -3.421) 12.899 4.932 ( 0.000 2.014 0.735) 2.144 5.566 ( -0.000 -11.949 -0.773) 11.974 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 2.075 3.594 -0.000) 4.150 1.299 ( 7.326 12.690 -0.000) 14.653 1.418 ( -1.590 -2.753 -0.000) 3.179 1.793 ( 1.663 2.881 -0.000) 3.326 2.144 ( 6.910 11.968 0.000) 13.819 2.730 ( 1.247 2.160 -0.000) 2.495 3.539 ( 0.626 1.084 -0.000) 1.252 3.746 ( -0.994 -1.721 -0.000) 1.988 3.937 ( 2.450 4.243 -0.000) 4.899 4.099 ( 7.305 12.652 -0.000) 14.609 4.977 ( 2.039 3.532 -0.000) 4.079 5.353 ( -8.651 -14.985 -0.000) 17.303 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 1.10e-04 2.32e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 -0.000 0.000) 0.000 1.003 ( 0.000 -0.000 0.000) 0.000 1.711 ( 0.000 -0.000 0.000) 0.000 1.732 ( 0.000 -0.000 0.000) 0.000 1.732 ( 0.000 -0.000 0.000) 0.000 2.811 ( 0.000 -0.000 0.000) 0.000 3.524 ( 0.000 -0.000 0.000) 0.000 3.524 ( 0.000 -0.000 0.000) 0.000 3.793 ( 0.000 -0.000 0.000) 0.000 3.793 ( 0.000 -0.000 0.000) 0.000 4.915 ( 0.000 -0.000 0.000) 0.000 5.688 ( 0.000 -0.000 0.000) 0.000 =================== 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 3/32928 10.0 268.813 268.813 546.444 -0.000 -0.000 -0.000 3/32928 20.0 85.090 85.090 79.487 -0.000 -0.000 -0.000 3/32928 30.0 42.182 42.182 31.835 -0.000 -0.000 -0.000 3/32928 40.0 26.706 26.706 18.745 -0.000 -0.000 -0.000 3/32928 50.0 19.386 19.386 13.160 -0.000 -0.000 -0.000 3/32928 60.0 15.278 15.278 10.165 -0.000 -0.000 -0.000 3/32928 70.0 12.675 12.675 8.317 -0.000 -0.000 -0.000 3/32928 80.0 10.877 10.877 7.062 -0.000 -0.000 -0.000 3/32928 90.0 9.555 9.555 6.154 -0.000 -0.000 -0.000 3/32928 100.0 8.538 8.538 5.463 -0.000 -0.000 -0.000 3/32928 110.0 7.727 7.727 4.918 -0.000 -0.000 -0.000 3/32928 120.0 7.064 7.064 4.477 -0.000 -0.000 -0.000 3/32928 130.0 6.511 6.511 4.111 -0.000 -0.000 -0.000 3/32928 140.0 6.041 6.041 3.802 -0.000 -0.000 -0.000 3/32928 150.0 5.636 5.636 3.538 -0.000 -0.000 -0.000 3/32928 160.0 5.284 5.284 3.310 -0.000 -0.000 -0.000 3/32928 170.0 4.974 4.974 3.109 -0.000 -0.000 -0.000 3/32928 180.0 4.699 4.699 2.933 -0.000 -0.000 -0.000 3/32928 190.0 4.454 4.454 2.775 -0.000 -0.000 -0.000 3/32928 200.0 4.233 4.233 2.634 -0.000 -0.000 -0.000 3/32928 210.0 4.033 4.033 2.507 -0.000 -0.000 -0.000 3/32928 220.0 3.852 3.852 2.392 -0.000 -0.000 -0.000 3/32928 230.0 3.687 3.687 2.287 -0.000 -0.000 -0.000 3/32928 240.0 3.535 3.535 2.191 -0.000 -0.000 -0.000 3/32928 250.0 3.395 3.395 2.103 -0.000 -0.000 -0.000 3/32928 260.0 3.267 3.267 2.022 -0.000 -0.000 -0.000 3/32928 270.0 3.147 3.147 1.947 -0.000 -0.000 -0.000 3/32928 280.0 3.036 3.036 1.877 -0.000 -0.000 -0.000 3/32928 290.0 2.933 2.933 1.812 -0.000 -0.000 -0.000 3/32928 300.0 2.837 2.837 1.752 -0.000 -0.000 -0.000 3/32928 310.0 2.746 2.746 1.695 -0.000 -0.000 -0.000 3/32928 320.0 2.662 2.662 1.642 -0.000 -0.000 -0.000 3/32928 330.0 2.582 2.582 1.592 -0.000 -0.000 -0.000 3/32928 340.0 2.507 2.507 1.545 -0.000 -0.000 -0.000 3/32928 350.0 2.437 2.437 1.501 -0.000 -0.000 -0.000 3/32928 360.0 2.370 2.370 1.460 -0.000 -0.000 -0.000 3/32928 370.0 2.307 2.307 1.420 -0.000 -0.000 -0.000 3/32928 380.0 2.247 2.247 1.383 -0.000 -0.000 -0.000 3/32928 390.0 2.190 2.190 1.348 -0.000 -0.000 -0.000 3/32928 400.0 2.136 2.136 1.314 -0.000 -0.000 -0.000 3/32928 410.0 2.084 2.084 1.282 -0.000 -0.000 -0.000 3/32928 420.0 2.035 2.035 1.252 -0.000 -0.000 -0.000 3/32928 430.0 1.989 1.989 1.223 -0.000 -0.000 -0.000 3/32928 440.0 1.944 1.944 1.195 -0.000 -0.000 -0.000 3/32928 450.0 1.901 1.901 1.169 -0.000 -0.000 -0.000 3/32928 460.0 1.860 1.860 1.143 -0.000 -0.000 -0.000 3/32928 470.0 1.821 1.821 1.119 -0.000 -0.000 -0.000 3/32928 480.0 1.784 1.784 1.096 -0.000 -0.000 -0.000 3/32928 490.0 1.748 1.748 1.073 -0.000 -0.000 -0.000 3/32928 500.0 1.713 1.713 1.052 -0.000 -0.000 -0.000 3/32928 510.0 1.680 1.680 1.032 -0.000 -0.000 -0.000 3/32928 520.0 1.648 1.648 1.012 -0.000 -0.000 -0.000 3/32928 530.0 1.617 1.617 0.993 -0.000 -0.000 -0.000 3/32928 540.0 1.588 1.588 0.974 -0.000 -0.000 -0.000 3/32928 550.0 1.559 1.559 0.957 -0.000 -0.000 -0.000 3/32928 560.0 1.532 1.532 0.940 -0.000 -0.000 -0.000 3/32928 570.0 1.505 1.505 0.923 -0.000 -0.000 -0.000 3/32928 580.0 1.479 1.479 0.907 -0.000 -0.000 -0.000 3/32928 590.0 1.455 1.455 0.892 -0.000 -0.000 -0.000 3/32928 600.0 1.431 1.431 0.877 -0.000 -0.000 -0.000 3/32928 610.0 1.407 1.407 0.863 -0.000 -0.000 -0.000 3/32928 620.0 1.385 1.385 0.849 -0.000 -0.000 -0.000 3/32928 630.0 1.363 1.363 0.836 -0.000 -0.000 -0.000 3/32928 640.0 1.342 1.342 0.823 -0.000 -0.000 -0.000 3/32928 650.0 1.322 1.322 0.810 -0.000 -0.000 -0.000 3/32928 660.0 1.302 1.302 0.798 -0.000 -0.000 -0.000 3/32928 670.0 1.282 1.282 0.786 -0.000 -0.000 -0.000 3/32928 680.0 1.264 1.264 0.775 -0.000 -0.000 -0.000 3/32928 690.0 1.246 1.246 0.763 -0.000 -0.000 -0.000 3/32928 700.0 1.228 1.228 0.752 -0.000 -0.000 -0.000 3/32928 710.0 1.211 1.211 0.742 -0.000 -0.000 -0.000 3/32928 720.0 1.194 1.194 0.732 -0.000 -0.000 -0.000 3/32928 730.0 1.178 1.178 0.722 -0.000 -0.000 -0.000 3/32928 740.0 1.162 1.162 0.712 -0.000 -0.000 -0.000 3/32928 750.0 1.147 1.147 0.703 -0.000 -0.000 -0.000 3/32928 760.0 1.132 1.132 0.693 -0.000 -0.000 -0.000 3/32928 770.0 1.117 1.117 0.684 -0.000 -0.000 -0.000 3/32928 780.0 1.103 1.103 0.676 -0.000 -0.000 -0.000 3/32928 790.0 1.089 1.089 0.667 -0.000 -0.000 -0.000 3/32928 800.0 1.076 1.076 0.659 -0.000 -0.000 -0.000 3/32928 810.0 1.063 1.063 0.651 -0.000 -0.000 -0.000 3/32928 820.0 1.050 1.050 0.643 -0.000 -0.000 -0.000 3/32928 830.0 1.037 1.037 0.635 -0.000 -0.000 -0.000 3/32928 840.0 1.025 1.025 0.628 -0.000 -0.000 -0.000 3/32928 850.0 1.013 1.013 0.620 -0.000 -0.000 -0.000 3/32928 860.0 1.001 1.001 0.613 -0.000 -0.000 -0.000 3/32928 870.0 0.990 0.990 0.606 -0.000 -0.000 -0.000 3/32928 880.0 0.979 0.979 0.599 -0.000 -0.000 -0.000 3/32928 890.0 0.968 0.968 0.592 -0.000 -0.000 -0.000 3/32928 900.0 0.957 0.957 0.586 -0.000 -0.000 -0.000 3/32928 910.0 0.947 0.947 0.579 -0.000 -0.000 -0.000 3/32928 920.0 0.936 0.936 0.573 -0.000 -0.000 -0.000 3/32928 930.0 0.926 0.926 0.567 -0.000 -0.000 -0.000 3/32928 940.0 0.917 0.917 0.561 -0.000 -0.000 -0.000 3/32928 950.0 0.907 0.907 0.555 -0.000 -0.000 -0.000 3/32928 960.0 0.898 0.898 0.549 -0.000 -0.000 -0.000 3/32928 970.0 0.889 0.889 0.544 -0.000 -0.000 -0.000 3/32928 980.0 0.880 0.880 0.538 -0.000 -0.000 -0.000 3/32928 990.0 0.871 0.871 0.533 -0.000 -0.000 -0.000 3/32928 1000.0 0.862 0.862 0.527 -0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:49:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|