----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:02:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.972836573740602 1.139017726916273 5.022888016666661 b -1.972836573740598 1.139017726916273 5.022888016666661 c 0.000000000000002 -2.278035453832550 5.022888016666661 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 *2 N 0.08210460784577 0.08210460784577 0.08210460784577 14.007 3 N 0.91789539215423 0.91789539215423 0.91789539215423 14.007 *4 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.945673147481199 0.000000000000000 0.000000000000000 b -1.972836573740600 3.417053180748823 0.000000000000000 c 0.000000000000000 0.000000000000000 15.068664049999999 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.66666666666667 0.33333333333333 0.33333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.66666666666667 12.011 > 1 *4 N 0.00000000000000 0.00000000000000 0.08210460784577 14.007 > 2 5 N 0.66666666666667 0.33333333333333 0.25122872548756 14.007 > 3 6 N 0.66666666666667 0.33333333333333 0.41543794117910 14.007 > 2 7 N 0.33333333333333 0.66666666666667 0.58456205882090 14.007 > 3 8 N 0.33333333333333 0.66666666666667 0.74877127451244 14.007 > 2 9 N 0.00000000000000 0.00000000000000 0.91789539215423 14.007 > 3 *10 Sr 0.33333333333333 0.66666666666667 0.16666666666667 87.620 > 4 11 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 4 12 Sr 0.66666666666667 0.33333333333333 0.83333333333333 87.620 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.837019442443598 0.000000000000000 0.000000000000000 b -5.918509721221800 10.251159542246469 0.000000000000000 c 0.000000000000000 0.000000000000000 15.068664049999999 Atomic positions (fractional): *1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.33333333333333 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.33333333333333 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.33333333333333 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.33333333333333 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.33333333333333 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.33333333333333 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.33333333333333 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.33333333333333 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.33333333333333 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.66666666666667 12.011 > 1 20 C 0.44444444444444 0.22222222222222 0.66666666666667 12.011 > 1 21 C 0.77777777777778 0.22222222222222 0.66666666666667 12.011 > 1 22 C 0.11111111111111 0.55555555555556 0.66666666666667 12.011 > 1 23 C 0.44444444444444 0.55555555555556 0.66666666666667 12.011 > 1 24 C 0.77777777777778 0.55555555555556 0.66666666666667 12.011 > 1 25 C 0.11111111111111 0.88888888888889 0.66666666666667 12.011 > 1 26 C 0.44444444444444 0.88888888888889 0.66666666666667 12.011 > 1 27 C 0.77777777777778 0.88888888888889 0.66666666666667 12.011 > 1 *28 N 0.00000000000000 0.00000000000000 0.08210460784577 14.007 > 2 29 N 0.33333333333333 0.00000000000000 0.08210460784577 14.007 > 2 30 N 0.66666666666667 0.00000000000000 0.08210460784577 14.007 > 2 31 N 0.00000000000000 0.33333333333333 0.08210460784577 14.007 > 2 32 N 0.33333333333333 0.33333333333333 0.08210460784577 14.007 > 2 33 N 0.66666666666667 0.33333333333333 0.08210460784577 14.007 > 2 34 N 0.00000000000000 0.66666666666667 0.08210460784577 14.007 > 2 35 N 0.33333333333333 0.66666666666667 0.08210460784577 14.007 > 2 36 N 0.66666666666667 0.66666666666667 0.08210460784577 14.007 > 2 37 N 0.22222222222222 0.11111111111111 0.25122872548756 14.007 > 3 38 N 0.55555555555556 0.11111111111111 0.25122872548756 14.007 > 3 39 N 0.88888888888889 0.11111111111111 0.25122872548756 14.007 > 3 40 N 0.22222222222222 0.44444444444444 0.25122872548756 14.007 > 3 41 N 0.55555555555556 0.44444444444444 0.25122872548756 14.007 > 3 42 N 0.88888888888889 0.44444444444444 0.25122872548756 14.007 > 3 43 N 0.22222222222222 0.77777777777778 0.25122872548756 14.007 > 3 44 N 0.55555555555556 0.77777777777778 0.25122872548756 14.007 > 3 45 N 0.88888888888889 0.77777777777778 0.25122872548756 14.007 > 3 46 N 0.22222222222222 0.11111111111111 0.41543794117910 14.007 > 2 47 N 0.55555555555556 0.11111111111111 0.41543794117910 14.007 > 2 48 N 0.88888888888889 0.11111111111111 0.41543794117910 14.007 > 2 49 N 0.22222222222222 0.44444444444444 0.41543794117910 14.007 > 2 50 N 0.55555555555556 0.44444444444444 0.41543794117910 14.007 > 2 51 N 0.88888888888889 0.44444444444444 0.41543794117910 14.007 > 2 52 N 0.22222222222222 0.77777777777778 0.41543794117910 14.007 > 2 53 N 0.55555555555556 0.77777777777778 0.41543794117910 14.007 > 2 54 N 0.88888888888889 0.77777777777778 0.41543794117910 14.007 > 2 55 N 0.11111111111111 0.22222222222222 0.58456205882090 14.007 > 3 56 N 0.44444444444444 0.22222222222222 0.58456205882090 14.007 > 3 57 N 0.77777777777778 0.22222222222222 0.58456205882090 14.007 > 3 58 N 0.11111111111111 0.55555555555556 0.58456205882090 14.007 > 3 59 N 0.44444444444444 0.55555555555556 0.58456205882090 14.007 > 3 60 N 0.77777777777778 0.55555555555556 0.58456205882090 14.007 > 3 61 N 0.11111111111111 0.88888888888889 0.58456205882090 14.007 > 3 62 N 0.44444444444444 0.88888888888889 0.58456205882090 14.007 > 3 63 N 0.77777777777778 0.88888888888889 0.58456205882090 14.007 > 3 64 N 0.11111111111111 0.22222222222222 0.74877127451244 14.007 > 2 65 N 0.44444444444444 0.22222222222222 0.74877127451244 14.007 > 2 66 N 0.77777777777778 0.22222222222222 0.74877127451244 14.007 > 2 67 N 0.11111111111111 0.55555555555556 0.74877127451244 14.007 > 2 68 N 0.44444444444444 0.55555555555556 0.74877127451244 14.007 > 2 69 N 0.77777777777778 0.55555555555556 0.74877127451244 14.007 > 2 70 N 0.11111111111111 0.88888888888889 0.74877127451244 14.007 > 2 71 N 0.44444444444444 0.88888888888889 0.74877127451244 14.007 > 2 72 N 0.77777777777778 0.88888888888889 0.74877127451244 14.007 > 2 73 N 0.00000000000000 0.00000000000000 0.91789539215423 14.007 > 3 74 N 0.33333333333333 0.00000000000000 0.91789539215423 14.007 > 3 75 N 0.66666666666667 0.00000000000000 0.91789539215423 14.007 > 3 76 N 0.00000000000000 0.33333333333333 0.91789539215423 14.007 > 3 77 N 0.33333333333333 0.33333333333333 0.91789539215423 14.007 > 3 78 N 0.66666666666667 0.33333333333333 0.91789539215423 14.007 > 3 79 N 0.00000000000000 0.66666666666667 0.91789539215423 14.007 > 3 80 N 0.33333333333333 0.66666666666667 0.91789539215423 14.007 > 3 81 N 0.66666666666667 0.66666666666667 0.91789539215423 14.007 > 3 *82 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 4 83 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 4 84 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 4 85 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 4 86 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 4 87 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 4 88 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 4 89 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 4 90 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 4 91 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 4 92 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 4 93 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 4 94 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 4 95 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 4 96 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 4 97 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 4 98 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 4 99 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 4 100 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 4 101 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 4 102 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 4 103 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 4 104 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 4 105 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 4 106 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 4 107 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 4 108 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6837805 -0.0000000 0.0000000 0.0000000 2.6837805 0.0000000 0.0000000 0.0000000 4.3856011 -------------------------- Born effective charges -------------------------- 1 C -0.2257060 0.0000000 0.0000000 0.0000000 -0.2257060 0.0000000 0.0000000 0.0000000 4.6686917 2 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 3 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 4 Sr 2.4797334 0.0000000 0.0000000 0.0000000 2.4797334 0.0000000 0.0000000 0.0000000 2.7135540 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.133 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.140 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-08 00:02:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.972836573740602 1.139017726916273 5.022888016666661 b -1.972836573740598 1.139017726916273 5.022888016666661 c 0.000000000000002 -2.278035453832550 5.022888016666661 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 N 0.08210460784577 0.08210460784577 0.08210460784577 14.007 3 N 0.91789539215423 0.91789539215423 0.91789539215423 14.007 4 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.837019442443598 0.000000000000000 0.000000000000000 b -5.918509721221800 10.251159542246469 0.000000000000000 c 0.000000000000000 0.000000000000000 15.068664049999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.33333333333333 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.33333333333333 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.33333333333333 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.33333333333333 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.33333333333333 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.33333333333333 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.33333333333333 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.33333333333333 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.33333333333333 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.66666666666667 12.011 > 1 20 C 0.44444444444444 0.22222222222222 0.66666666666667 12.011 > 1 21 C 0.77777777777778 0.22222222222222 0.66666666666667 12.011 > 1 22 C 0.11111111111111 0.55555555555556 0.66666666666667 12.011 > 1 23 C 0.44444444444444 0.55555555555556 0.66666666666667 12.011 > 1 24 C 0.77777777777778 0.55555555555556 0.66666666666667 12.011 > 1 25 C 0.11111111111111 0.88888888888889 0.66666666666667 12.011 > 1 26 C 0.44444444444444 0.88888888888889 0.66666666666667 12.011 > 1 27 C 0.77777777777778 0.88888888888889 0.66666666666667 12.011 > 1 28 N 0.00000000000000 0.00000000000000 0.08210460784577 14.007 > 28 29 N 0.33333333333333 0.00000000000000 0.08210460784577 14.007 > 28 30 N 0.66666666666667 0.00000000000000 0.08210460784577 14.007 > 28 31 N 0.00000000000000 0.33333333333333 0.08210460784577 14.007 > 28 32 N 0.33333333333333 0.33333333333333 0.08210460784577 14.007 > 28 33 N 0.66666666666667 0.33333333333333 0.08210460784577 14.007 > 28 34 N 0.00000000000000 0.66666666666667 0.08210460784577 14.007 > 28 35 N 0.33333333333333 0.66666666666667 0.08210460784577 14.007 > 28 36 N 0.66666666666667 0.66666666666667 0.08210460784577 14.007 > 28 37 N 0.22222222222222 0.11111111111111 0.25122872548756 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.25122872548756 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.25122872548756 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.25122872548756 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.25122872548756 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.25122872548756 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.25122872548756 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.25122872548756 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.25122872548756 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.41543794117910 14.007 > 28 47 N 0.55555555555556 0.11111111111111 0.41543794117910 14.007 > 28 48 N 0.88888888888889 0.11111111111111 0.41543794117910 14.007 > 28 49 N 0.22222222222222 0.44444444444444 0.41543794117910 14.007 > 28 50 N 0.55555555555556 0.44444444444444 0.41543794117910 14.007 > 28 51 N 0.88888888888889 0.44444444444444 0.41543794117910 14.007 > 28 52 N 0.22222222222222 0.77777777777778 0.41543794117910 14.007 > 28 53 N 0.55555555555556 0.77777777777778 0.41543794117910 14.007 > 28 54 N 0.88888888888889 0.77777777777778 0.41543794117910 14.007 > 28 55 N 0.11111111111111 0.22222222222222 0.58456205882090 14.007 > 37 56 N 0.44444444444444 0.22222222222222 0.58456205882090 14.007 > 37 57 N 0.77777777777778 0.22222222222222 0.58456205882090 14.007 > 37 58 N 0.11111111111111 0.55555555555556 0.58456205882090 14.007 > 37 59 N 0.44444444444444 0.55555555555556 0.58456205882090 14.007 > 37 60 N 0.77777777777778 0.55555555555556 0.58456205882090 14.007 > 37 61 N 0.11111111111111 0.88888888888889 0.58456205882090 14.007 > 37 62 N 0.44444444444444 0.88888888888889 0.58456205882090 14.007 > 37 63 N 0.77777777777778 0.88888888888889 0.58456205882090 14.007 > 37 64 N 0.11111111111111 0.22222222222222 0.74877127451244 14.007 > 28 65 N 0.44444444444444 0.22222222222222 0.74877127451244 14.007 > 28 66 N 0.77777777777778 0.22222222222222 0.74877127451244 14.007 > 28 67 N 0.11111111111111 0.55555555555556 0.74877127451244 14.007 > 28 68 N 0.44444444444444 0.55555555555556 0.74877127451244 14.007 > 28 69 N 0.77777777777778 0.55555555555556 0.74877127451244 14.007 > 28 70 N 0.11111111111111 0.88888888888889 0.74877127451244 14.007 > 28 71 N 0.44444444444444 0.88888888888889 0.74877127451244 14.007 > 28 72 N 0.77777777777778 0.88888888888889 0.74877127451244 14.007 > 28 73 N 0.00000000000000 0.00000000000000 0.91789539215423 14.007 > 37 74 N 0.33333333333333 0.00000000000000 0.91789539215423 14.007 > 37 75 N 0.66666666666667 0.00000000000000 0.91789539215423 14.007 > 37 76 N 0.00000000000000 0.33333333333333 0.91789539215423 14.007 > 37 77 N 0.33333333333333 0.33333333333333 0.91789539215423 14.007 > 37 78 N 0.66666666666667 0.33333333333333 0.91789539215423 14.007 > 37 79 N 0.00000000000000 0.66666666666667 0.91789539215423 14.007 > 37 80 N 0.33333333333333 0.66666666666667 0.91789539215423 14.007 > 37 81 N 0.66666666666667 0.66666666666667 0.91789539215423 14.007 > 37 82 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 82 83 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 82 84 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 82 85 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 82 86 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 82 87 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 82 88 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 82 89 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 82 90 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 82 91 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 82 92 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 82 93 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 82 94 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 82 95 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 82 96 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 82 97 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 82 98 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 82 99 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 82 100 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 82 101 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 82 102 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 82 103 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 82 104 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 82 105 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 82 106 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 82 107 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 82 108 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6837805 -0.0000000 0.0000000 0.0000000 2.6837805 0.0000000 0.0000000 0.0000000 4.3856011 -------------------------- Born effective charges -------------------------- 1 C -0.2257060 0.0000000 0.0000000 0.0000000 -0.2257060 0.0000000 0.0000000 0.0000000 4.6686917 2 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 3 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 4 Sr 2.4797334 0.0000000 0.0000000 0.0000000 2.4797334 0.0000000 0.0000000 0.0000000 2.7135540 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:02:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.972836573740602 1.139017726916273 5.022888016666661 b -1.972836573740598 1.139017726916273 5.022888016666661 c 0.000000000000002 -2.278035453832550 5.022888016666661 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 2 N 0.08210460784577 0.08210460784577 0.08210460784577 14.007 3 N 0.91789539215423 0.91789539215423 0.91789539215423 14.007 4 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.837019442443598 0.000000000000000 0.000000000000000 b -5.918509721221800 10.251159542246469 0.000000000000000 c 0.000000000000000 0.000000000000000 15.068664049999999 Atomic positions (fractional): 1 C 0.00000000000000 0.00000000000000 0.00000000000000 12.011 > 1 2 C 0.33333333333333 0.00000000000000 0.00000000000000 12.011 > 1 3 C 0.66666666666667 0.00000000000000 0.00000000000000 12.011 > 1 4 C 0.00000000000000 0.33333333333333 0.00000000000000 12.011 > 1 5 C 0.33333333333333 0.33333333333333 0.00000000000000 12.011 > 1 6 C 0.66666666666667 0.33333333333333 0.00000000000000 12.011 > 1 7 C 0.00000000000000 0.66666666666667 0.00000000000000 12.011 > 1 8 C 0.33333333333333 0.66666666666667 0.00000000000000 12.011 > 1 9 C 0.66666666666667 0.66666666666667 0.00000000000000 12.011 > 1 10 C 0.22222222222222 0.11111111111111 0.33333333333333 12.011 > 1 11 C 0.55555555555556 0.11111111111111 0.33333333333333 12.011 > 1 12 C 0.88888888888889 0.11111111111111 0.33333333333333 12.011 > 1 13 C 0.22222222222222 0.44444444444444 0.33333333333333 12.011 > 1 14 C 0.55555555555556 0.44444444444444 0.33333333333333 12.011 > 1 15 C 0.88888888888889 0.44444444444444 0.33333333333333 12.011 > 1 16 C 0.22222222222222 0.77777777777778 0.33333333333333 12.011 > 1 17 C 0.55555555555556 0.77777777777778 0.33333333333333 12.011 > 1 18 C 0.88888888888889 0.77777777777778 0.33333333333333 12.011 > 1 19 C 0.11111111111111 0.22222222222222 0.66666666666667 12.011 > 1 20 C 0.44444444444444 0.22222222222222 0.66666666666667 12.011 > 1 21 C 0.77777777777778 0.22222222222222 0.66666666666667 12.011 > 1 22 C 0.11111111111111 0.55555555555556 0.66666666666667 12.011 > 1 23 C 0.44444444444444 0.55555555555556 0.66666666666667 12.011 > 1 24 C 0.77777777777778 0.55555555555556 0.66666666666667 12.011 > 1 25 C 0.11111111111111 0.88888888888889 0.66666666666667 12.011 > 1 26 C 0.44444444444444 0.88888888888889 0.66666666666667 12.011 > 1 27 C 0.77777777777778 0.88888888888889 0.66666666666667 12.011 > 1 28 N 0.00000000000000 0.00000000000000 0.08210460784577 14.007 > 28 29 N 0.33333333333333 0.00000000000000 0.08210460784577 14.007 > 28 30 N 0.66666666666667 0.00000000000000 0.08210460784577 14.007 > 28 31 N 0.00000000000000 0.33333333333333 0.08210460784577 14.007 > 28 32 N 0.33333333333333 0.33333333333333 0.08210460784577 14.007 > 28 33 N 0.66666666666667 0.33333333333333 0.08210460784577 14.007 > 28 34 N 0.00000000000000 0.66666666666667 0.08210460784577 14.007 > 28 35 N 0.33333333333333 0.66666666666667 0.08210460784577 14.007 > 28 36 N 0.66666666666667 0.66666666666667 0.08210460784577 14.007 > 28 37 N 0.22222222222222 0.11111111111111 0.25122872548756 14.007 > 37 38 N 0.55555555555556 0.11111111111111 0.25122872548756 14.007 > 37 39 N 0.88888888888889 0.11111111111111 0.25122872548756 14.007 > 37 40 N 0.22222222222222 0.44444444444444 0.25122872548756 14.007 > 37 41 N 0.55555555555556 0.44444444444444 0.25122872548756 14.007 > 37 42 N 0.88888888888889 0.44444444444444 0.25122872548756 14.007 > 37 43 N 0.22222222222222 0.77777777777778 0.25122872548756 14.007 > 37 44 N 0.55555555555556 0.77777777777778 0.25122872548756 14.007 > 37 45 N 0.88888888888889 0.77777777777778 0.25122872548756 14.007 > 37 46 N 0.22222222222222 0.11111111111111 0.41543794117910 14.007 > 28 47 N 0.55555555555556 0.11111111111111 0.41543794117910 14.007 > 28 48 N 0.88888888888889 0.11111111111111 0.41543794117910 14.007 > 28 49 N 0.22222222222222 0.44444444444444 0.41543794117910 14.007 > 28 50 N 0.55555555555556 0.44444444444444 0.41543794117910 14.007 > 28 51 N 0.88888888888889 0.44444444444444 0.41543794117910 14.007 > 28 52 N 0.22222222222222 0.77777777777778 0.41543794117910 14.007 > 28 53 N 0.55555555555556 0.77777777777778 0.41543794117910 14.007 > 28 54 N 0.88888888888889 0.77777777777778 0.41543794117910 14.007 > 28 55 N 0.11111111111111 0.22222222222222 0.58456205882090 14.007 > 37 56 N 0.44444444444444 0.22222222222222 0.58456205882090 14.007 > 37 57 N 0.77777777777778 0.22222222222222 0.58456205882090 14.007 > 37 58 N 0.11111111111111 0.55555555555556 0.58456205882090 14.007 > 37 59 N 0.44444444444444 0.55555555555556 0.58456205882090 14.007 > 37 60 N 0.77777777777778 0.55555555555556 0.58456205882090 14.007 > 37 61 N 0.11111111111111 0.88888888888889 0.58456205882090 14.007 > 37 62 N 0.44444444444444 0.88888888888889 0.58456205882090 14.007 > 37 63 N 0.77777777777778 0.88888888888889 0.58456205882090 14.007 > 37 64 N 0.11111111111111 0.22222222222222 0.74877127451244 14.007 > 28 65 N 0.44444444444444 0.22222222222222 0.74877127451244 14.007 > 28 66 N 0.77777777777778 0.22222222222222 0.74877127451244 14.007 > 28 67 N 0.11111111111111 0.55555555555556 0.74877127451244 14.007 > 28 68 N 0.44444444444444 0.55555555555556 0.74877127451244 14.007 > 28 69 N 0.77777777777778 0.55555555555556 0.74877127451244 14.007 > 28 70 N 0.11111111111111 0.88888888888889 0.74877127451244 14.007 > 28 71 N 0.44444444444444 0.88888888888889 0.74877127451244 14.007 > 28 72 N 0.77777777777778 0.88888888888889 0.74877127451244 14.007 > 28 73 N 0.00000000000000 0.00000000000000 0.91789539215423 14.007 > 37 74 N 0.33333333333333 0.00000000000000 0.91789539215423 14.007 > 37 75 N 0.66666666666667 0.00000000000000 0.91789539215423 14.007 > 37 76 N 0.00000000000000 0.33333333333333 0.91789539215423 14.007 > 37 77 N 0.33333333333333 0.33333333333333 0.91789539215423 14.007 > 37 78 N 0.66666666666667 0.33333333333333 0.91789539215423 14.007 > 37 79 N 0.00000000000000 0.66666666666667 0.91789539215423 14.007 > 37 80 N 0.33333333333333 0.66666666666667 0.91789539215423 14.007 > 37 81 N 0.66666666666667 0.66666666666667 0.91789539215423 14.007 > 37 82 Sr 0.11111111111111 0.22222222222222 0.16666666666667 87.620 > 82 83 Sr 0.44444444444444 0.22222222222222 0.16666666666667 87.620 > 82 84 Sr 0.77777777777778 0.22222222222222 0.16666666666667 87.620 > 82 85 Sr 0.11111111111111 0.55555555555556 0.16666666666667 87.620 > 82 86 Sr 0.44444444444444 0.55555555555556 0.16666666666667 87.620 > 82 87 Sr 0.77777777777778 0.55555555555556 0.16666666666667 87.620 > 82 88 Sr 0.11111111111111 0.88888888888889 0.16666666666667 87.620 > 82 89 Sr 0.44444444444444 0.88888888888889 0.16666666666667 87.620 > 82 90 Sr 0.77777777777778 0.88888888888889 0.16666666666667 87.620 > 82 91 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 82 92 Sr 0.33333333333333 0.00000000000000 0.50000000000000 87.620 > 82 93 Sr 0.66666666666667 0.00000000000000 0.50000000000000 87.620 > 82 94 Sr 0.00000000000000 0.33333333333333 0.50000000000000 87.620 > 82 95 Sr 0.33333333333333 0.33333333333333 0.50000000000000 87.620 > 82 96 Sr 0.66666666666667 0.33333333333333 0.50000000000000 87.620 > 82 97 Sr 0.00000000000000 0.66666666666667 0.50000000000000 87.620 > 82 98 Sr 0.33333333333333 0.66666666666667 0.50000000000000 87.620 > 82 99 Sr 0.66666666666667 0.66666666666667 0.50000000000000 87.620 > 82 100 Sr 0.22222222222222 0.11111111111111 0.83333333333333 87.620 > 82 101 Sr 0.55555555555556 0.11111111111111 0.83333333333333 87.620 > 82 102 Sr 0.88888888888889 0.11111111111111 0.83333333333333 87.620 > 82 103 Sr 0.22222222222222 0.44444444444444 0.83333333333333 87.620 > 82 104 Sr 0.55555555555556 0.44444444444444 0.83333333333333 87.620 > 82 105 Sr 0.88888888888889 0.44444444444444 0.83333333333333 87.620 > 82 106 Sr 0.22222222222222 0.77777777777778 0.83333333333333 87.620 > 82 107 Sr 0.55555555555556 0.77777777777778 0.83333333333333 87.620 > 82 108 Sr 0.88888888888889 0.77777777777778 0.83333333333333 87.620 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6837805 -0.0000000 0.0000000 0.0000000 2.6837805 0.0000000 0.0000000 0.0000000 4.3856011 -------------------------- Born effective charges -------------------------- 1 C -0.2257060 0.0000000 0.0000000 0.0000000 -0.2257060 0.0000000 0.0000000 0.0000000 4.6686917 2 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 3 N -1.1270137 0.0000000 0.0000000 0.0000000 -1.1270137 0.0000000 0.0000000 0.0000000 -3.6911229 4 Sr 2.4797334 0.0000000 0.0000000 0.0000000 2.4797334 0.0000000 0.0000000 0.0000000 2.7135540 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.02, Number of G-points: 281, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 7.112 ( 0.000 0.000 0.000) 0.000 19.192 ( 0.000 0.000 0.000) 0.000 19.192 ( 0.000 0.000 0.000) 0.000 38.625 ( 0.000 0.000 0.000) 0.000 61.442 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 12.014 6.936 25.694) 29.200 0.502 ( 20.898 12.065 7.682) 25.324 1.006 ( 42.766 24.691 8.421) 50.095 6.078 ( -0.301 -0.174 -1.366) 1.410 6.301 ( -2.139 -1.235 -3.435) 4.231 7.112 ( 0.121 0.070 -1.158) 1.167 7.161 ( 4.262 2.461 -1.359) 5.106 9.339 ( -0.017 -0.010 -13.802) 13.802 19.195 ( 0.219 0.126 0.069) 0.262 19.450 ( 2.197 1.268 -10.478) 10.780 38.618 ( -0.243 -0.140 -1.910) 1.931 61.762 ( -28.932 -16.704 140.400) 144.320 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 14.950 8.631 26.029) 31.233 1.010 ( 21.223 12.253 7.291) 25.568 1.996 ( 42.153 24.337 6.159) 49.063 6.063 ( -0.198 -0.115 -2.356) 2.367 6.223 ( -4.676 -2.700 3.804) 6.605 7.104 ( -0.211 -0.122 -2.162) 2.175 7.274 ( 5.864 3.386 -1.199) 6.877 9.247 ( -3.563 -2.057 -8.996) 9.892 19.202 ( 0.424 0.245 0.152) 0.513 19.456 ( 1.353 0.781 -5.075) 5.311 38.599 ( -0.319 -0.184 -3.084) 3.106 61.718 ( -16.440 -9.491 70.794) 73.295 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 16.945 9.783 25.784) 32.367 1.518 ( 20.950 12.095 6.630) 25.083 2.953 ( 40.758 23.532 3.196) 47.172 6.052 ( 0.253 0.146 -2.798) 2.814 6.132 ( -5.324 -3.074 6.630) 9.042 7.080 ( -0.962 -0.555 -2.813) 3.024 7.400 ( 5.425 3.132 -0.209) 6.267 9.100 ( -6.175 -3.565 -7.856) 10.609 19.215 ( 0.590 0.340 0.244) 0.723 19.467 ( 1.236 0.713 -3.030) 3.349 38.579 ( -0.201 -0.116 -3.231) 3.240 61.651 ( -12.448 -7.187 46.486) 48.657 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 16.627 9.600 23.955) 30.699 2.002 ( 19.341 11.167 5.694) 23.048 3.851 ( 38.016 21.949 0.337) 43.899 6.044 ( -5.226 -3.017 7.706) 9.787 6.050 ( 0.687 0.397 -2.725) 2.838 7.037 ( -1.719 -0.992 -2.959) 3.563 7.510 ( 4.173 2.409 0.410) 4.836 8.902 ( -8.424 -4.863 -6.876) 11.912 19.230 ( 0.672 0.388 0.312) 0.836 19.484 ( 1.230 0.710 -1.789) 2.285 38.564 ( 0.006 0.004 -2.589) 2.589 61.573 ( -9.907 -5.720 32.498) 34.453 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 13.814 7.976 19.776) 25.407 2.426 ( 15.919 9.191 4.461) 18.915 4.653 ( 33.127 19.126 -2.081) 38.309 5.967 ( -4.686 -2.705 8.217) 9.838 6.057 ( 0.811 0.468 -2.255) 2.442 6.981 ( -2.030 -1.172 -2.571) 3.479 7.590 ( 3.016 1.741 -0.321) 3.497 8.665 ( -10.120 -5.843 -4.975) 12.701 19.247 ( 0.631 0.364 0.318) 0.795 19.505 ( 1.115 0.644 -0.951) 1.601 38.556 ( 0.167 0.097 -1.648) 1.659 61.497 ( -7.414 -4.281 21.987) 23.595 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 9.035 5.216 13.116) 16.759 2.744 ( 10.585 6.111 2.895) 12.561 5.300 ( 24.991 14.429 -4.883) 29.268 5.907 ( -4.111 -2.374 9.354) 10.490 6.065 ( 0.597 0.345 -1.499) 1.650 6.928 ( -1.644 -0.949 -1.733) 2.570 7.645 ( 2.385 1.377 -2.213) 3.533 8.417 ( -10.013 -5.781 -1.988) 11.732 19.260 ( 0.452 0.261 0.240) 0.574 19.524 ( 0.795 0.459 -0.421) 1.010 38.555 ( 0.197 0.114 -0.816) 0.847 61.437 ( -4.633 -2.675 12.835) 13.905 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 3.125 1.804 4.599) 5.845 2.916 ( 3.728 2.152 1.012) 4.421 5.703 ( 13.020 7.517 -9.335) 17.697 5.856 ( -4.907 -2.833 11.229) 12.577 6.069 ( 0.210 0.121 -0.530) 0.583 6.897 ( -0.631 -0.365 -0.609) 0.950 7.679 ( 1.330 0.768 -2.016) 2.534 8.233 ( -4.937 -2.850 0.161) 5.703 19.268 ( 0.165 0.095 0.089) 0.210 19.535 ( 0.289 0.167 -0.113) 0.353 38.557 ( 0.086 0.050 -0.232) 0.252 61.405 ( -1.579 -0.912 4.229) 4.605 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -0.000 8.834 28.359) 29.703 0.425 ( -0.000 24.150 -3.270) 24.371 1.158 ( -0.000 45.748 28.968) 54.148 6.101 ( -0.000 0.679 2.114) 2.220 6.292 ( 0.000 2.239 -4.760) 5.261 7.112 ( 0.000 0.412 -1.082) 1.158 7.164 ( 0.000 5.785 -1.376) 5.946 9.221 ( 0.000 1.865 -22.744) 22.820 19.195 ( -0.000 0.248 0.142) 0.286 19.395 ( 0.000 5.980 -13.017) 14.325 38.608 ( 0.000 -0.604 -2.292) 2.370 62.511 ( -0.000 -83.950 181.846) 200.289 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 10.914 7.020 28.730) 31.525 0.876 ( 20.052 20.683 1.185) 28.832 1.865 ( 17.066 41.610 21.776) 49.968 6.088 ( -2.765 1.280 1.049) 3.222 6.277 ( -2.097 -1.879 3.643) 4.604 7.099 ( -0.627 0.394 -1.650) 1.808 7.252 ( 2.816 7.339 -1.596) 8.021 9.153 ( 2.524 -4.375 -18.218) 18.905 19.201 ( 0.228 0.372 0.202) 0.481 19.413 ( 1.725 2.696 -7.476) 8.133 38.587 ( -0.255 -0.466 -3.340) 3.382 62.265 ( -21.632 -38.268 103.988) 112.898 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 16.019 6.053 27.224) 32.162 1.431 ( 18.543 22.239 5.125) 29.405 2.685 ( 25.881 34.788 12.877) 45.231 6.056 ( -2.275 0.499 0.756) 2.449 6.224 ( -4.146 -2.551 6.882) 8.430 7.085 ( -0.765 0.743 -2.439) 2.662 7.370 ( 3.427 6.550 -1.319) 7.508 9.046 ( 0.112 -7.169 -14.770) 16.418 19.212 ( 0.424 0.508 0.273) 0.716 19.435 ( 1.620 1.427 -4.530) 5.018 38.564 ( -0.107 -0.171 -3.599) 3.604 62.027 ( -16.895 -21.038 64.480) 69.898 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 18.221 4.988 24.586) 31.006 1.965 ( 14.451 23.920 6.714) 28.742 3.511 ( 30.325 28.047 5.398) 41.657 6.031 ( -1.267 -1.001 2.677) 3.126 6.156 ( -4.755 -1.264 5.727) 7.550 7.063 ( -1.948 1.703 -2.823) 3.830 7.474 ( 3.320 4.220 -1.883) 5.690 8.891 ( -2.680 -8.335 -10.798) 13.901 19.227 ( 0.534 0.632 0.333) 0.892 19.457 ( 1.610 0.916 -2.819) 3.373 38.550 ( 0.160 0.064 -2.918) 2.923 61.840 ( -12.880 -14.699 42.681) 46.943 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 17.421 3.393 20.716) 27.280 2.429 ( 9.541 23.161 5.776) 25.706 4.288 ( 31.331 21.377 -0.426) 37.932 6.016 ( -1.398 -2.543 7.701) 8.230 6.095 ( -3.675 0.905 0.800) 3.869 7.029 ( -3.288 2.979 -2.609) 5.147 7.543 ( 3.106 1.712 -4.674) 5.867 8.703 ( -5.461 -8.739 -4.793) 11.365 19.244 ( 0.513 0.711 0.343) 0.941 19.482 ( 1.591 0.554 -1.701) 2.394 38.545 ( 0.357 0.157 -1.795) 1.837 61.679 ( -9.621 -11.345 27.927) 31.641 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 13.592 1.214 15.312) 20.510 2.778 ( 4.346 19.826 2.884) 20.501 4.961 ( 28.291 14.336 -4.868) 32.087 5.990 ( -3.639 -2.778 10.714) 11.651 6.071 ( -0.555 2.147 -1.889) 2.913 6.991 ( -4.106 4.351 -1.873) 6.268 7.574 ( 3.428 0.141 -9.781) 10.365 8.501 ( -7.700 -8.539 3.401) 11.990 19.260 ( 0.338 0.712 0.273) 0.834 19.505 ( 1.412 0.174 -0.977) 1.726 38.548 ( 0.402 0.101 -0.737) 0.846 61.542 ( -6.496 -8.822 16.454) 19.768 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 7.200 -1.711 7.407) 10.471 2.985 ( -0.821 15.302 0.244) 15.326 5.453 ( 20.184 7.302 -8.323) 23.021 5.936 ( -3.901 -3.964 7.795) 9.576 6.091 ( -0.391 2.921 1.469) 3.293 6.963 ( -4.088 5.545 -0.851) 6.941 7.586 ( 4.719 0.176 -14.694) 15.434 8.323 ( -7.577 -7.312 11.651) 15.705 19.271 ( 0.039 0.618 0.127) 0.632 19.522 ( 1.027 -0.226 -0.545) 1.184 38.552 ( 0.305 -0.044 -0.006) 0.308 61.435 ( -3.342 -6.510 6.869) 10.037 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.045 -5.452 -2.456) 5.980 3.051 ( -6.704 11.377 -0.875) 13.234 5.710 ( 10.009 2.591 -10.761) 14.923 5.829 ( -6.833 -7.961 7.508) 12.901 6.107 ( -1.980 2.602 1.735) 3.701 6.957 ( -3.279 6.281 0.200) 7.088 7.613 ( 5.276 0.618 -14.518) 15.459 8.236 ( -2.081 -4.177 15.047) 15.754 19.274 ( -0.313 0.442 -0.054) 0.544 19.530 ( 0.500 -0.575 -0.277) 0.811 38.556 ( 0.151 -0.187 0.436) 0.498 61.364 ( -0.251 -4.297 -1.393) 4.524 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -6.257 -9.392 -10.785) 15.610 2.968 ( -13.913 8.609 -2.292) 16.521 5.540 ( -16.765 -13.874 3.166) 21.990 5.814 ( 4.386 1.653 -7.868) 9.158 6.103 ( -1.896 1.984 2.659) 3.821 6.976 ( -2.095 6.333 1.121) 6.765 7.628 ( 2.174 -0.248 -8.901) 9.166 8.318 ( 7.120 -0.463 11.290) 13.355 19.268 ( -0.625 0.230 -0.212) 0.699 19.526 ( -0.039 -0.794 -0.030) 0.795 38.558 ( 0.063 -0.242 0.804) 0.842 61.330 ( 2.569 -2.263 -8.601) 9.257 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -11.112 -12.398 -16.150) 23.195 2.730 ( -21.005 6.291 -4.173) 22.320 5.016 ( -28.355 -16.664 2.831) 33.011 5.860 ( 4.609 -0.123 -7.293) 8.628 6.108 ( -1.814 2.614 3.535) 4.756 7.015 ( -1.005 5.478 1.746) 5.837 7.605 ( -0.806 -0.383 -4.578) 4.664 8.530 ( 11.953 0.657 7.027) 13.881 19.256 ( -0.825 0.038 -0.294) 0.876 19.514 ( -0.454 -0.836 0.316) 1.002 38.562 ( 0.114 -0.180 1.273) 1.291 61.328 ( 4.875 -0.562 -14.893) 15.681 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -14.553 -13.659 -18.862) 27.462 2.355 ( -26.265 3.833 -5.398) 27.087 4.307 ( -36.791 -16.931 2.190) 40.559 5.911 ( 5.733 -1.480 -5.495) 8.078 6.121 ( -1.970 3.551 3.163) 5.147 7.059 ( -0.277 3.787 1.910) 4.251 7.556 ( -3.105 0.120 -2.072) 3.734 8.771 ( 12.484 0.270 4.541) 13.287 19.240 ( -0.879 -0.085 -0.284) 0.928 19.499 ( -0.660 -0.712 0.798) 1.257 38.571 ( 0.283 -0.049 1.795) 1.818 61.348 ( 6.418 0.634 -20.249) 21.251 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -16.353 -12.805 -19.007) 28.154 1.886 ( -28.949 1.293 -5.387) 29.475 3.482 ( -42.811 -14.794 0.992) 45.306 5.976 ( 5.927 -1.858 -2.962) 6.882 6.141 ( -1.179 3.904 1.808) 4.461 7.092 ( 0.036 1.721 1.589) 2.342 7.483 ( -5.376 0.489 -0.169) 5.401 8.988 ( 11.104 -0.205 3.036) 11.513 19.223 ( -0.805 -0.122 -0.201) 0.839 19.486 ( -0.653 -0.480 1.328) 1.555 38.586 ( 0.469 0.064 2.047) 2.101 61.372 ( 6.888 1.141 -24.136) 25.126 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -16.608 -9.316 -15.298) 24.426 1.372 ( -29.268 -0.670 -3.909) 29.535 2.599 ( -47.194 -9.807 -0.177) 48.203 6.041 ( 3.877 -0.936 -0.193) 3.993 6.180 ( 1.625 2.695 0.092) 3.148 7.107 ( 0.078 0.113 0.907) 0.917 7.383 ( -7.109 0.444 0.772) 7.165 9.166 ( 8.844 -0.326 2.054) 9.085 19.209 ( -0.644 -0.086 -0.093) 0.656 19.480 ( -0.478 -0.213 1.570) 1.655 38.604 ( 0.548 0.085 1.559) 1.655 61.383 ( 5.731 0.810 -23.558) 24.258 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -15.745 -0.000 0.000) 15.745 0.871 ( -27.779 -0.000 0.000) 27.779 1.720 ( -50.033 -0.000 0.000) 50.033 6.077 ( 0.968 0.000 -0.000) 0.968 6.249 ( 4.526 0.000 -0.000) 4.526 7.110 ( 0.090 0.000 -0.000) 0.090 7.263 ( -7.254 -0.000 0.000) 7.254 9.297 ( 6.089 0.000 -0.000) 6.089 19.199 ( -0.439 -0.000 0.000) 0.439 19.478 ( -0.217 -0.000 0.000) 0.217 38.617 ( 0.445 0.000 -0.000) 0.445 61.390 ( 2.913 0.000 -0.000) 2.913 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 9.379 30.416) 31.829 0.891 ( -0.000 25.190 -0.569) 25.197 2.284 ( -0.000 44.899 24.544) 51.169 6.145 ( -0.000 1.106 3.506) 3.677 6.292 ( -0.000 -1.581 3.444) 3.790 7.105 ( 0.000 0.277 -2.134) 2.152 7.298 ( -0.000 7.899 -0.308) 7.905 8.988 ( 0.000 -5.131 -21.012) 21.630 19.204 ( -0.000 0.432 0.238) 0.493 19.397 ( 0.000 3.125 -6.439) 7.157 38.569 ( 0.000 -0.592 -3.339) 3.391 62.452 ( -0.000 -45.771 89.695) 100.699 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 7.526 8.341 30.294) 32.310 1.323 ( 18.995 23.494 1.233) 30.237 2.874 ( 7.255 41.584 18.908) 46.253 6.135 ( -3.766 1.396 3.159) 5.110 6.277 ( -1.875 -2.578 5.782) 6.602 7.092 ( -0.352 0.496 -2.220) 2.302 7.387 ( 1.886 6.325 -1.066) 6.685 8.867 ( 2.453 -6.590 -19.142) 20.393 19.212 ( 0.300 0.526 0.280) 0.667 19.408 ( 0.980 2.197 -4.751) 5.325 38.549 ( -0.067 -0.198 -3.291) 3.297 62.292 ( -10.576 -34.051 65.495) 74.572 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 12.452 6.381 28.042) 31.339 1.917 ( 21.549 23.396 2.863) 31.936 3.484 ( 13.058 34.401 10.293) 38.208 6.094 ( -3.881 0.927 4.177) 5.777 6.232 ( -3.417 -2.391 5.767) 7.117 7.089 ( -0.139 1.579 -2.290) 2.785 7.457 ( 2.023 3.160 -4.016) 5.496 8.763 ( 1.291 -6.701 -13.308) 14.955 19.226 ( 0.519 0.676 0.342) 0.918 19.428 ( 1.362 1.390 -3.352) 3.876 38.536 ( 0.130 0.232 -2.654) 2.667 62.058 ( -11.561 -25.023 45.705) 53.373 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 14.544 3.756 23.857) 28.192 2.489 ( 15.790 24.337 3.553) 29.228 4.070 ( 19.323 24.477 1.149) 31.206 6.071 ( -2.411 0.686 6.966) 7.403 6.169 ( -4.143 -1.479 3.091) 5.377 7.095 ( -1.055 3.591 -2.260) 4.372 7.477 ( 2.208 -0.478 -8.917) 9.198 8.660 ( -1.635 -5.952 -4.077) 7.397 19.245 ( 0.565 0.855 0.383) 1.094 19.451 ( 1.573 0.724 -2.292) 2.872 38.534 ( 0.330 0.414 -1.572) 1.659 61.828 ( -9.824 -19.441 30.420) 37.414 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 13.671 0.162 17.949) 22.563 2.930 ( 6.595 24.156 2.132) 25.131 4.620 ( 24.287 14.349 -5.592) 28.758 6.078 ( -3.831 -2.149 11.748) 12.542 6.103 ( -1.566 2.502 -2.149) 3.651 7.102 ( -2.705 6.111 -1.831) 6.929 7.451 ( 3.138 -2.794 -14.655) 15.246 8.554 ( -4.997 -5.582 6.390) 9.847 19.264 ( 0.397 1.003 0.352) 1.134 19.474 ( 1.638 0.086 -1.526) 2.241 38.540 ( 0.390 0.325 -0.488) 0.704 61.620 ( -7.279 -15.379 18.325) 25.006 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 9.706 -4.187 9.746) 14.378 3.202 ( -1.475 22.211 0.019) 22.260 5.106 ( 23.961 6.804 -8.601) 26.351 5.995 ( -4.757 -3.303 2.760) 6.416 6.144 ( -0.345 3.251 5.899) 6.745 7.105 ( -4.295 7.976 -1.157) 9.132 7.416 ( 5.075 -2.274 -19.103) 19.896 8.440 ( -7.318 -5.904 15.116) 17.802 19.279 ( 0.041 1.046 0.227) 1.071 19.493 ( 1.512 -0.495 -0.998) 1.878 38.547 ( 0.315 0.077 0.269) 0.421 61.447 ( -4.455 -11.869 8.636) 15.340 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 3.336 -8.095 -0.047) 8.756 3.327 ( -7.410 19.379 -0.631) 20.757 5.461 ( 16.968 2.122 -9.940) 19.779 5.882 ( -5.202 -5.516 3.350) 8.289 6.182 ( -1.742 2.429 5.132) 5.939 7.102 ( -4.548 8.016 -1.019) 9.272 7.426 ( 7.320 0.977 -20.010) 21.329 8.336 ( -6.507 -6.235 19.707) 21.670 19.287 ( -0.401 0.934 0.040) 1.018 19.506 ( 1.187 -0.908 -0.634) 1.623 38.553 ( 0.199 -0.175 0.642) 0.694 61.317 ( -1.641 -8.627 0.996) 8.838 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -3.492 -10.422 -8.025) 13.609 3.321 ( -13.498 16.119 -1.149) 21.055 5.578 ( 0.396 -6.875 -7.231) 9.986 5.764 ( -2.163 -2.612 1.270) 3.622 6.183 ( -2.772 2.023 4.899) 5.982 7.104 ( -3.469 7.220 -0.925) 8.063 7.496 ( 7.212 3.467 -16.617) 18.443 8.295 ( -0.668 -5.852 18.267) 19.193 19.284 ( -0.795 0.685 -0.136) 1.058 19.510 ( 0.727 -1.061 -0.349) 1.333 38.557 ( 0.158 -0.300 0.789) 0.858 61.232 ( 0.894 -5.696 -4.753) 7.472 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -9.520 -11.107 -12.161) 19.023 3.167 ( -20.466 12.416 -2.457) 24.064 5.286 ( -18.756 -13.013 1.610) 22.885 5.763 ( 2.656 -0.339 -6.129) 6.689 6.187 ( -1.999 2.532 5.028) 5.975 7.115 ( -2.570 5.850 -0.409) 6.403 7.566 ( 3.332 3.808 -9.629) 10.877 8.372 ( 7.944 -4.713 11.291) 14.588 19.273 ( -1.040 0.386 -0.230) 1.133 19.507 ( 0.255 -0.955 -0.075) 0.991 38.561 ( 0.262 -0.261 0.894) 0.967 61.192 ( 2.901 -3.238 -8.606) 9.641 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -14.394 -10.064 -12.556) 21.590 2.853 ( -26.720 8.050 -3.306) 28.102 4.752 ( -30.391 -11.672 2.487) 32.651 5.787 ( 4.290 -1.226 -4.670) 6.459 6.200 ( -1.834 2.539 3.688) 4.839 7.124 ( -1.879 3.694 0.089) 4.145 7.593 ( -0.722 3.129 -3.399) 4.676 8.552 ( 13.091 -3.207 4.619) 14.248 19.256 ( -1.106 0.142 -0.215) 1.136 19.501 ( -0.102 -0.668 0.192) 0.702 38.569 ( 0.472 -0.123 0.974) 1.090 61.188 ( 4.163 -1.419 -10.234) 11.139 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -17.752 -6.708 -9.045) 21.023 2.406 ( -30.636 3.429 -2.544) 30.932 4.078 ( -38.858 -7.154 1.406) 39.536 5.847 ( 5.817 -1.001 -2.140) 6.278 6.204 ( -1.685 1.756 1.823) 3.041 7.123 ( -1.220 1.425 0.275) 1.896 7.572 ( -3.601 1.737 -0.422) 4.020 8.773 ( 13.784 -1.512 1.290) 13.927 19.238 ( -1.025 0.012 -0.119) 1.032 19.494 ( -0.280 -0.312 0.334) 0.536 38.583 ( 0.668 -0.008 0.799) 1.041 61.212 ( 4.540 -0.341 -8.478) 9.623 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -18.940 -0.000 0.000) 18.940 1.885 ( -31.587 -0.000 0.000) 31.587 3.335 ( -44.593 -0.000 0.000) 44.593 5.941 ( 6.249 0.000 -0.000) 6.249 6.194 ( -0.961 -0.000 0.000) 0.961 7.115 ( -0.592 -0.000 0.000) 0.592 7.500 ( -5.800 -0.000 0.000) 5.800 8.989 ( 11.979 0.000 -0.000) 11.979 19.221 ( -0.854 -0.000 0.000) 0.854 19.488 ( -0.323 -0.000 0.000) 0.323 38.597 ( 0.714 0.000 -0.000) 0.714 61.263 ( 4.279 0.000 -0.000) 4.279 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 7.815 31.250) 32.212 1.384 ( -0.000 24.455 1.349) 24.492 3.311 ( -0.000 40.610 16.341) 43.775 6.200 ( -0.000 1.015 3.800) 3.933 6.292 ( -0.000 -2.088 4.589) 5.042 7.084 ( 0.000 -0.162 -2.816) 2.821 7.407 ( 0.000 1.684 -1.042) 1.980 8.714 ( 0.000 -2.469 -18.134) 18.302 19.215 ( -0.000 0.516 0.263) 0.580 19.403 ( 0.000 2.223 -4.085) 4.651 38.535 ( 0.000 0.097 -2.787) 2.788 62.297 ( -0.000 -35.797 54.775) 65.435 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 5.695 5.588 29.947) 30.991 1.790 ( 18.010 22.421 1.551) 28.801 3.761 ( 2.110 34.977 9.299) 36.254 6.191 ( -3.552 1.198 3.550) 5.162 6.277 ( -1.755 -2.232 4.808) 5.584 7.078 ( 0.935 0.207 -2.654) 2.822 7.402 ( 2.155 -3.884 -5.273) 6.895 8.657 ( 0.773 1.918 -11.303) 11.491 19.225 ( 0.431 0.574 0.290) 0.774 19.412 ( 0.611 1.755 -3.235) 3.731 38.528 ( 0.059 0.565 -2.038) 2.116 62.124 ( -5.838 -31.281 41.314) 52.148 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 9.661 2.159 25.995) 27.816 2.376 ( 23.687 21.174 1.686) 31.816 4.132 ( 4.355 25.737 0.148) 26.104 6.161 ( -3.237 1.958 4.033) 5.530 6.232 ( -3.407 -2.258 4.820) 6.320 7.100 ( 1.989 1.521 -2.598) 3.609 7.358 ( 3.087 -6.834 -10.804) 13.151 8.657 ( -1.546 4.090 -1.445) 4.606 19.243 ( 0.738 0.736 0.368) 1.105 19.427 ( 0.965 1.091 -2.480) 2.876 38.530 ( 0.165 0.832 -1.052) 1.352 61.884 ( -7.268 -25.902 28.680) 39.323 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 11.201 -2.140 19.470) 22.564 2.964 ( 18.626 21.676 1.867) 28.641 4.430 ( 10.455 14.711 -7.789) 19.657 6.148 ( -3.093 0.951 -2.958) 4.384 6.180 ( -2.957 -0.110 11.878) 12.241 7.148 ( 2.309 3.528 -3.187) 5.286 7.285 ( 2.995 -6.840 -14.401) 16.221 8.654 ( -5.182 3.525 7.833) 10.032 19.266 ( 0.742 0.992 0.434) 1.312 19.443 ( 1.220 0.294 -1.884) 2.264 38.538 ( 0.178 0.754 -0.090) 0.780 61.641 ( -6.406 -20.843 17.853) 28.181 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 9.946 -6.635 10.913) 16.188 3.403 ( 6.307 22.587 1.312) 23.488 4.738 ( 19.757 5.612 -10.929) 23.266 6.057 ( -5.055 -1.848 -0.927) 5.462 6.217 ( -0.977 2.377 9.157) 9.511 7.205 ( 3.617 -5.734 -17.418) 18.691 7.217 ( 1.280 6.611 -2.550) 7.200 8.611 ( -8.566 1.053 14.542) 16.910 19.289 ( 0.369 1.250 0.406) 1.365 19.457 ( 1.427 -0.526 -1.408) 2.073 38.548 ( 0.087 0.428 0.565) 0.714 61.427 ( -4.523 -16.049 9.104) 18.998 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 6.023 -9.761 1.866) 11.621 3.633 ( -4.185 21.258 0.536) 21.672 5.092 ( 22.570 0.873 -10.278) 24.815 5.940 ( -5.726 -3.192 0.369) 6.566 6.256 ( -1.391 1.540 7.617) 7.895 7.143 ( 2.967 -3.251 -14.675) 15.321 7.304 ( 2.194 8.854 -6.022) 10.931 8.516 ( -10.215 -2.218 17.829) 20.667 19.305 ( -0.274 1.320 0.245) 1.370 19.468 ( 1.535 -1.112 -0.977) 2.132 38.554 ( -0.015 0.055 0.815) 0.817 61.260 ( -2.311 -11.512 2.528) 12.010 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.400 -10.335 -4.817) 11.409 3.697 ( -10.853 17.716 0.068) 20.776 5.367 ( 14.075 -2.519 -9.085) 16.941 5.813 ( -5.486 -3.663 2.105) 6.924 6.265 ( -2.281 0.794 6.539) 6.971 7.119 ( 3.766 -1.409 -11.044) 11.754 7.411 ( 2.829 10.640 -8.046) 13.636 8.395 ( -8.413 -5.240 17.289) 19.928 19.307 ( -0.893 1.058 0.027) 1.385 19.478 ( 1.403 -1.220 -0.574) 1.946 38.556 ( -0.014 -0.185 0.768) 0.790 61.148 ( -0.195 -7.412 -1.847) 7.641 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -5.806 -8.611 -7.334) 12.714 3.608 ( -17.264 12.596 -0.772) 21.385 5.382 ( -3.958 -7.308 -2.994) 8.833 5.729 ( -1.657 -0.944 -1.318) 2.318 6.263 ( -2.033 1.097 5.279) 5.763 7.139 ( 3.248 0.161 -5.756) 6.611 7.529 ( 3.083 9.789 -7.766) 12.870 8.310 ( -1.719 -6.519 12.552) 14.247 19.296 ( -1.244 0.599 -0.108) 1.385 19.487 ( 0.999 -0.913 -0.247) 1.375 38.558 ( 0.147 -0.217 0.603) 0.658 61.091 ( 1.556 -4.003 -3.976) 5.853 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -11.651 -5.156 -5.625) 13.928 3.348 ( -23.791 6.198 -1.176) 24.613 5.103 ( -19.634 -5.795 0.946) 20.494 5.713 ( 1.450 -0.396 -2.518) 2.933 6.262 ( -1.658 1.032 2.653) 3.295 7.163 ( 0.496 0.924 -1.595) 1.909 7.615 ( 0.940 4.962 -3.352) 6.062 8.348 ( 8.010 -3.926 4.810) 10.134 19.278 ( -1.320 0.203 -0.102) 1.339 19.492 ( 0.492 -0.442 -0.034) 0.662 38.563 ( 0.412 -0.109 0.390) 0.577 61.085 ( 2.817 -1.492 -3.611) 4.816 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -16.048 -0.000 0.000) 16.048 2.927 ( -28.671 -0.000 0.000) 28.671 4.643 ( -31.052 -0.000 0.000) 31.052 5.752 ( 4.091 0.000 -0.000) 4.091 6.245 ( -1.677 -0.000 0.000) 1.677 7.156 ( -1.410 -0.000 0.000) 1.410 7.625 ( -1.534 -0.000 0.000) 1.534 8.530 ( 13.577 0.000 -0.000) 13.577 19.257 ( -1.216 -0.000 0.000) 1.216 19.494 ( 0.056 0.000 -0.000) 0.056 38.573 ( 0.635 0.000 -0.000) 0.635 61.124 ( 3.651 0.000 -0.000) 3.651 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -0.000 2.973 29.055) 29.207 1.845 ( -0.000 20.870 1.469) 20.921 4.101 ( -0.000 29.949 3.630) 30.169 6.248 ( -0.000 0.628 3.297) 3.357 6.290 ( -0.000 -1.426 2.356) 2.754 7.053 ( 0.000 -0.399 -2.848) 2.876 7.276 ( 0.000 -10.885 -6.960) 12.920 8.681 ( 0.000 10.485 -5.085) 11.653 19.228 ( -0.000 0.499 0.229) 0.549 19.411 ( 0.000 1.724 -2.766) 3.259 38.527 ( 0.000 1.005 -1.255) 1.608 62.024 ( -0.000 -31.758 33.055) 45.839 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.384 -0.756 25.627) 26.010 2.201 ( 17.813 18.126 1.009) 25.434 4.346 ( -1.121 21.752 -4.074) 22.158 6.238 ( -2.619 1.233 0.552) 2.947 6.277 ( -1.325 -1.480 4.219) 4.663 7.052 ( 1.885 -0.598 -3.628) 4.132 7.158 ( 3.659 -11.589 -8.110) 14.610 8.782 ( -2.115 13.600 2.110) 13.924 19.239 ( 0.617 0.526 0.253) 0.849 19.418 ( 0.290 1.340 -2.260) 2.643 38.536 ( 0.019 1.289 -0.403) 1.350 61.822 ( -3.330 -28.537 23.882) 37.360 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 7.189 -5.046 19.170) 21.087 2.758 ( 26.088 16.314 1.253) 30.795 4.461 ( -0.769 13.051 -10.495) 16.765 6.195 ( -3.065 0.428 -2.944) 4.272 6.270 ( -1.721 0.348 8.685) 8.861 7.029 ( 4.168 -7.378 -12.437) 15.050 7.143 ( 4.503 -1.668 -1.556) 5.048 8.868 ( -6.015 12.475 8.166) 16.078 19.261 ( 1.093 0.693 0.366) 1.345 19.425 ( 0.414 0.681 -1.857) 2.021 38.548 ( -0.062 1.224 0.345) 1.273 61.586 ( -4.233 -23.601 15.356) 28.473 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 8.125 -8.759 10.807) 16.110 3.360 ( 23.381 16.774 2.504) 28.885 4.522 ( 4.952 5.484 -13.300) 15.214 6.117 ( -4.367 -0.813 -2.585) 5.140 6.299 ( -1.212 1.642 9.398) 9.617 6.975 ( 5.464 -6.978 -15.981) 18.275 7.221 ( 4.184 2.424 -0.038) 4.836 8.881 ( -10.241 8.810 11.986) 18.060 19.291 ( 1.139 1.027 0.508) 1.615 19.428 ( 0.577 -0.190 -1.570) 1.684 38.558 ( -0.227 0.852 0.798) 1.189 61.367 ( -3.612 -17.979 8.282) 20.121 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 7.043 -10.239 2.882) 12.757 3.829 ( 8.000 18.742 3.556) 20.686 4.670 ( 18.272 -1.354 -12.481) 22.169 6.012 ( -5.604 -1.585 -1.277) 5.962 6.330 ( -1.679 1.033 8.660) 8.881 6.942 ( 5.918 -4.634 -16.235) 17.891 7.323 ( 3.826 4.767 -0.408) 6.126 8.798 ( -13.502 4.024 13.081) 19.226 19.320 ( 0.470 1.442 0.557) 1.615 19.429 ( 1.053 -1.089 -1.287) 1.988 38.563 ( -0.372 0.380 0.875) 1.024 61.194 ( -2.273 -12.305 3.078) 12.886 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.941 -8.686 -2.054) 9.757 4.012 ( -6.312 15.297 1.917) 16.659 4.979 ( 23.667 -3.159 -8.210) 25.249 5.890 ( -6.212 -1.959 0.294) 6.520 6.336 ( -2.217 0.118 6.658) 7.018 6.945 ( 6.311 -2.476 -12.810) 14.493 7.436 ( 3.527 6.212 -1.614) 7.323 8.629 ( -14.499 -0.377 11.405) 18.451 19.334 ( -0.756 1.349 0.313) 1.578 19.436 ( 1.768 -1.326 -0.779) 2.344 38.562 ( -0.372 0.033 0.664) 0.762 61.080 ( -0.767 -7.131 -0.078) 7.173 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( -0.926 -4.867 -2.889) 5.735 3.965 ( -12.833 7.966 0.355) 15.108 5.246 ( 12.395 -2.615 -3.725) 13.204 5.778 ( -5.070 -1.139 0.633) 5.234 6.322 ( -2.038 0.045 3.627) 4.161 7.000 ( 7.282 -1.005 -6.298) 9.680 7.543 ( 3.177 5.377 -2.281) 6.649 8.426 ( -11.662 -2.522 6.985) 13.826 19.325 ( -1.406 0.574 0.030) 1.518 19.454 ( 1.749 -0.668 -0.255) 1.889 38.559 ( -0.176 -0.077 0.336) 0.387 61.027 ( 0.602 -2.926 -1.133) 3.195 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -6.649 -0.000 0.000) 6.649 3.739 ( -18.610 -0.000 0.000) 18.610 5.288 ( -4.709 -0.000 0.000) 4.709 5.712 ( -2.136 -0.000 0.000) 2.136 6.300 ( -1.657 -0.000 0.000) 1.657 7.102 ( 6.056 0.000 -0.000) 6.056 7.612 ( 2.081 0.000 -0.000) 2.081 8.293 ( -3.027 -0.000 0.000) 3.027 19.302 ( -1.466 -0.000 0.000) 1.466 19.476 ( 1.157 0.000 -0.000) 1.157 38.559 ( 0.142 0.000 -0.000) 0.142 61.031 ( 1.753 0.000 -0.000) 1.753 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 -4.414 22.600) 23.027 2.206 ( -0.000 15.007 0.355) 15.011 4.510 ( 0.000 14.822 -9.342) 17.520 6.272 ( 0.000 -0.746 -1.861) 2.005 6.283 ( -0.000 0.412 2.566) 2.599 6.968 ( 0.000 -12.081 -5.731) 13.372 7.022 ( 0.000 -0.314 -2.310) 2.331 8.976 ( -0.000 17.270 5.661) 18.174 19.238 ( -0.000 0.403 0.163) 0.435 19.420 ( 0.000 1.259 -1.877) 2.261 38.549 ( -0.000 1.571 0.225) 1.587 61.666 ( -0.000 -27.165 17.779) 32.466 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.108 -7.973 16.806) 18.859 2.501 ( 18.539 11.952 0.179) 22.058 4.551 ( -2.314 8.513 -12.618) 15.396 6.229 ( -2.330 -0.276 -3.241) 4.002 6.310 ( 0.807 0.453 3.950) 4.057 6.850 ( 1.232 -9.092 -6.286) 11.122 7.051 ( 4.324 -0.281 -1.130) 4.478 9.140 ( -4.278 16.209 8.314) 18.713 19.250 ( 0.837 0.401 0.187) 0.947 19.423 ( -0.043 0.877 -1.527) 1.761 38.566 ( -0.149 1.505 0.690) 1.663 61.468 ( -1.805 -22.872 11.713) 25.760 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 5.154 -9.978 9.374) 14.628 3.026 ( 29.258 9.970 1.038) 30.928 4.513 ( -2.521 4.572 -12.325) 13.385 6.164 ( -3.329 -0.467 -2.937) 4.464 6.358 ( 0.793 1.387 6.726) 6.913 6.771 ( 2.830 -6.913 -9.906) 12.406 7.142 ( 6.216 0.589 -0.118) 6.245 9.205 ( -9.373 12.142 9.261) 17.918 19.276 ( 1.559 0.527 0.311) 1.675 19.421 ( -0.235 0.287 -1.264) 1.317 38.578 ( -0.412 1.106 0.876) 1.470 61.277 ( -2.222 -16.943 6.531) 18.293 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 6.248 -9.039 2.982) 11.386 3.650 ( 30.717 9.872 3.174) 32.420 4.463 ( -0.151 0.694 -10.652) 10.676 6.081 ( -4.597 -0.697 -1.740) 4.965 6.407 ( -1.244 1.373 8.621) 8.818 6.732 ( 5.536 -4.644 -12.478) 14.419 7.262 ( 6.549 1.495 0.217) 6.721 9.138 ( -13.952 6.783 8.178) 17.537 19.314 ( 1.877 0.828 0.505) 2.113 19.409 ( -0.369 -0.443 -1.099) 1.241 38.580 ( -0.649 0.573 0.750) 1.145 61.128 ( -1.793 -10.533 2.727) 11.027 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 5.883 -5.186 -0.256) 7.846 4.191 ( 8.762 13.345 6.967) 17.418 4.481 ( 18.800 -7.383 -10.439) 22.735 5.981 ( -5.836 -0.657 -0.469) 5.892 6.407 ( -3.041 0.245 5.199) 6.028 6.764 ( 7.150 -1.773 -8.041) 10.905 7.387 ( 6.089 1.736 -0.036) 6.332 8.947 ( -16.768 2.032 5.087) 17.640 19.355 ( 0.858 1.518 0.794) 1.916 19.393 ( 0.488 -1.423 -1.070) 1.846 38.575 ( -0.708 0.155 0.403) 0.829 61.038 ( -1.025 -4.633 0.531) 4.775 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.415 0.000 -0.000) 3.415 4.192 ( -9.070 -0.000 0.000) 9.070 4.891 ( 26.206 0.000 -0.000) 26.206 5.872 ( -6.261 -0.000 0.000) 6.261 6.369 ( -2.646 -0.000 0.000) 2.646 6.858 ( 7.008 0.000 -0.000) 7.008 7.492 ( 5.029 0.000 -0.000) 5.029 8.679 ( -16.563 -0.000 0.000) 16.563 19.353 ( -1.482 -0.000 0.000) 1.482 19.414 ( 2.397 0.000 -0.000) 2.397 38.565 ( -0.524 -0.000 0.000) 0.524 61.006 ( -0.211 -0.000 0.000) 0.211 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -0.000 -9.922 12.411) 15.890 2.433 ( -0.000 8.506 -0.580) 8.526 4.577 ( 0.000 4.321 -12.565) 13.287 6.230 ( 0.000 -0.718 -3.615) 3.686 6.310 ( -0.000 0.360 1.727) 1.764 6.755 ( 0.000 -6.444 -1.644) 6.650 7.001 ( 0.000 -0.112 -1.451) 1.455 9.371 ( -0.000 15.029 7.969) 17.011 19.246 ( -0.000 0.258 0.092) 0.274 19.426 ( 0.000 0.747 -1.150) 1.372 38.586 ( -0.000 1.432 0.842) 1.662 61.318 ( -0.000 -18.977 7.815) 20.524 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.258 -9.306 6.723) 11.700 2.671 ( 19.592 5.662 -0.255) 20.395 4.539 ( -1.903 2.247 -9.556) 9.999 6.192 ( -1.905 -0.470 -2.636) 3.286 6.349 ( 3.073 0.587 2.280) 3.871 6.681 ( -1.630 -4.334 -2.777) 5.399 7.042 ( 5.063 0.052 -0.554) 5.094 9.484 ( -5.611 10.624 6.551) 13.685 19.257 ( 1.031 0.218 0.102) 1.059 19.425 ( -0.320 0.413 -0.809) 0.963 38.599 ( -0.328 1.014 0.749) 1.303 61.179 ( -0.926 -12.974 4.322) 13.706 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.273 -5.561 2.095) 7.320 3.162 ( 31.881 3.304 0.437) 32.055 4.482 ( -2.979 1.084 -5.078) 5.986 6.136 ( -3.258 -0.275 -1.220) 3.490 6.443 ( 4.384 1.637 5.359) 7.114 6.595 ( -1.261 -3.457 -6.420) 7.400 7.150 ( 7.208 0.277 0.013) 7.214 9.441 ( -11.164 4.922 3.876) 12.802 19.285 ( 1.956 0.206 0.134) 1.971 19.416 ( -0.744 0.056 -0.473) 0.883 38.600 ( -0.667 0.448 0.434) 0.913 61.080 ( -1.195 -6.210 1.645) 6.534 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 5.802 0.000 -0.000) 5.802 3.769 ( 36.329 0.000 -0.000) 36.329 4.412 ( -4.534 -0.000 0.000) 4.534 6.066 ( -4.631 -0.000 0.000) 4.631 6.486 ( -4.160 -0.000 0.000) 4.160 6.602 ( 8.196 0.000 -0.000) 8.196 7.278 ( 7.355 0.000 -0.000) 7.355 9.246 ( -15.295 -0.000 0.000) 15.295 19.326 ( 2.567 0.000 -0.000) 2.567 19.398 ( -1.138 -0.000 0.000) 1.138 38.590 ( -0.827 -0.000 0.000) 0.827 61.033 ( -1.159 -0.000 0.000) 1.159 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 -5.782 3.262) 6.639 2.535 ( -0.000 2.666 -0.405) 2.697 4.536 ( 0.000 0.788 -5.190) 5.249 6.194 ( 0.000 -0.347 -1.544) 1.582 6.326 ( -0.000 0.165 0.628) 0.650 6.669 ( 0.000 -1.867 -0.357) 1.900 6.992 ( 0.000 -0.009 -0.487) 0.487 9.638 ( -0.000 5.896 3.498) 6.855 19.250 ( -0.000 0.088 0.029) 0.093 19.429 ( 0.000 0.242 -0.399) 0.466 38.612 ( -0.000 0.580 0.433) 0.724 61.102 ( -0.000 -6.883 2.052) 7.183 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.053 0.000 -0.000) 2.053 2.724 ( 20.075 0.000 -0.000) 20.075 4.515 ( -1.567 -0.000 0.000) 1.567 6.174 ( -1.731 -0.000 0.000) 1.731 6.366 ( 4.391 0.000 -0.000) 4.391 6.626 ( -3.441 -0.000 0.000) 3.441 7.041 ( 5.374 0.000 -0.000) 5.374 9.623 ( -6.073 -0.000 0.000) 6.073 19.260 ( 1.111 0.000 -0.000) 1.111 19.426 ( -0.432 -0.000 0.000) 0.432 38.613 ( -0.404 -0.000 0.000) 0.404 61.068 ( -0.632 -0.000 0.000) 0.632 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( -0.000 0.000 12.211) 12.211 0.163 ( -0.000 0.000 12.211) 12.211 0.909 ( -0.000 0.000 68.065) 68.065 6.090 ( -0.000 0.000 0.800) 0.800 6.090 ( -0.000 0.000 0.800) 0.800 7.097 ( 0.000 -0.000 -2.212) 2.212 7.097 ( 0.000 -0.000 -2.212) 2.212 9.023 ( 0.000 -0.000 -5.975) 5.975 19.193 ( -0.000 0.000 0.210) 0.210 19.193 ( -0.000 0.000 0.210) 0.210 38.623 ( 0.000 -0.000 -0.204) 0.204 65.619 ( 0.000 -0.000 -0.021) 0.021 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 22.419 12.944 9.544) 27.591 0.616 ( 20.055 11.579 9.126) 24.891 1.443 ( 21.186 12.232 51.192) 56.737 6.066 ( -1.158 -0.668 -0.361) 1.385 6.267 ( 5.677 3.278 -0.857) 6.611 7.082 ( -0.073 -0.042 -3.223) 3.224 7.138 ( 4.250 2.454 -2.235) 5.393 9.079 ( 4.687 2.706 -18.728) 19.494 19.197 ( 0.219 0.127 0.269) 0.369 19.304 ( 6.054 3.495 -7.347) 10.141 38.592 ( -1.617 -0.934 -1.191) 2.215 63.869 ( -91.193 -52.650 114.715) 155.717 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 20.611 11.900 8.100) 25.140 1.118 ( 17.931 10.353 22.334) 30.455 2.228 ( 31.368 18.110 28.674) 46.196 6.040 ( -0.812 -0.469 -1.109) 1.452 6.306 ( -2.423 -1.399 7.184) 7.709 7.063 ( -0.259 -0.149 -3.918) 3.929 7.256 ( 6.435 3.715 -1.631) 7.607 9.043 ( 0.121 0.070 -19.483) 19.484 19.206 ( 0.434 0.250 0.327) 0.598 19.376 ( 3.395 1.960 -5.733) 6.945 38.556 ( -0.756 -0.437 -2.697) 2.835 62.861 ( -45.381 -26.201 85.460) 100.247 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 20.237 11.684 6.976) 24.387 1.616 ( 16.461 9.504 27.044) 33.055 3.070 ( 34.412 19.868 14.495) 42.297 6.023 ( -0.093 -0.054 -1.392) 1.396 6.253 ( -5.236 -3.023 10.225) 11.879 7.034 ( -0.787 -0.454 -4.062) 4.162 7.389 ( 5.662 3.269 -1.765) 6.772 8.931 ( -2.711 -1.565 -16.293) 16.591 19.219 ( 0.598 0.345 0.369) 0.783 19.419 ( 2.433 1.405 -3.761) 4.694 38.536 ( 0.035 0.020 -2.735) 2.735 62.375 ( -27.958 -16.142 56.923) 65.440 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 18.524 10.695 5.361) 22.052 2.082 ( 14.126 8.156 25.348) 30.143 3.889 ( 34.021 19.642 5.274) 39.637 6.023 ( 0.584 0.337 -1.251) 1.421 6.172 ( -5.802 -3.350 10.416) 12.385 6.993 ( -1.322 -0.763 -3.559) 3.872 7.482 ( 3.742 2.161 -5.135) 6.711 8.787 ( -4.842 -2.796 -9.285) 10.838 19.235 ( 0.663 0.383 0.365) 0.848 19.455 ( 2.022 1.167 -2.381) 3.334 38.532 ( 0.502 0.290 -1.812) 1.903 62.052 ( -19.791 -11.426 37.196) 43.656 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 9.949 5.744 19.113) 22.300 2.478 ( 15.054 8.691 3.251) 17.684 4.629 ( 30.458 17.585 -1.517) 35.202 6.036 ( 0.903 0.521 -0.733) 1.275 6.093 ( -5.026 -2.901 9.719) 11.320 6.947 ( -1.479 -0.854 -2.510) 3.036 7.511 ( 2.274 1.313 -11.787) 12.076 8.638 ( -6.800 -3.926 1.439) 7.983 19.251 ( 0.592 0.342 0.290) 0.742 19.488 ( 1.644 0.949 -1.476) 2.405 38.540 ( 0.603 0.348 -0.672) 0.968 61.799 ( -14.463 -8.350 22.364) 27.912 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 4.433 2.560 10.007) 11.240 2.769 ( 9.739 5.623 0.843) 11.277 5.217 ( 22.718 13.116 -7.358) 27.244 6.037 ( -3.736 -2.157 9.233) 10.191 6.055 ( 0.828 0.478 0.094) 0.961 6.909 ( -1.035 -0.598 -1.162) 1.667 7.494 ( 2.682 1.548 -18.392) 18.650 8.499 ( -8.071 -4.660 12.754) 15.796 19.263 ( 0.384 0.222 0.145) 0.466 19.515 ( 1.138 0.657 -0.944) 1.618 38.551 ( 0.432 0.249 0.207) 0.540 61.596 ( -10.048 -5.801 10.549) 15.681 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -1.545 -0.892 0.018) 1.784 2.913 ( 2.979 1.720 -1.483) 3.746 5.566 ( 12.142 7.010 -11.611) 18.204 5.984 ( -5.443 -3.143 8.252) 10.373 6.073 ( 0.506 0.292 1.075) 1.223 6.894 ( -0.049 -0.029 0.198) 0.206 7.493 ( 5.248 3.030 -20.889) 21.750 8.401 ( -6.673 -3.852 20.253) 21.669 19.269 ( 0.083 0.048 -0.037) 0.103 19.530 ( 0.533 0.308 -0.664) 0.906 38.560 ( 0.166 0.096 0.702) 0.727 61.440 ( -6.043 -3.489 1.069) 7.060 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -7.310 -4.220 -8.923) 12.283 2.887 ( -4.314 -2.490 -3.292) 5.971 5.671 ( 0.044 0.025 -15.273) 15.273 5.838 ( -8.462 -4.886 10.007) 13.986 6.086 ( 0.066 0.038 1.986) 1.987 6.910 ( 1.132 0.654 1.326) 1.862 7.536 ( 5.614 3.241 -18.616) 19.712 8.402 ( -0.860 -0.496 20.527) 20.551 19.266 ( -0.235 -0.136 -0.201) 0.338 19.533 ( -0.046 -0.027 -0.492) 0.495 38.565 ( -0.007 -0.004 0.946) 0.946 61.333 ( -2.470 -1.426 -6.262) 6.880 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -12.382 -7.149 -15.420) 21.029 2.695 ( -11.036 -6.372 -4.382) 13.476 5.320 ( -23.209 -13.399 -3.282) 26.999 5.835 ( 2.550 1.472 0.444) 2.978 6.093 ( -0.381 -0.220 2.717) 2.753 6.954 ( 2.023 1.168 2.039) 3.101 7.558 ( 2.486 1.435 -13.295) 13.601 8.538 ( 5.558 3.209 13.949) 15.354 19.257 ( -0.491 -0.284 -0.294) 0.639 19.525 ( -0.462 -0.267 -0.304) 0.614 38.569 ( 0.024 0.014 1.117) 1.117 61.272 ( 0.466 0.269 -11.382) 11.395 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -16.196 -9.351 -18.707) 26.451 2.363 ( -16.339 -9.433 -4.880) 19.487 4.677 ( -32.779 -18.925 1.079) 37.865 5.906 ( 3.620 2.090 0.059) 4.180 6.094 ( -0.680 -0.393 3.297) 3.389 7.013 ( 2.262 1.306 2.227) 3.432 7.536 ( -0.143 -0.082 -7.808) 7.809 8.744 ( 8.246 4.761 6.091) 11.303 19.243 ( -0.632 -0.365 -0.291) 0.785 19.511 ( -0.632 -0.365 -0.068) 0.732 38.577 ( 0.226 0.130 1.217) 1.244 61.251 ( 2.513 1.451 -13.879) 14.179 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -18.161 -10.485 -18.348) 27.864 1.930 ( -19.816 -11.441 -5.039) 23.430 3.875 ( -38.889 -22.453 3.748) 45.061 5.998 ( 4.215 2.434 1.399) 5.064 6.093 ( -0.718 -0.414 3.680) 3.772 7.069 ( 1.795 1.036 1.889) 2.804 7.484 ( -2.326 -1.343 -3.076) 4.084 8.947 ( 8.448 4.878 -0.547) 9.770 19.227 ( -0.645 -0.373 -0.204) 0.773 19.498 ( -0.566 -0.327 0.070) 0.658 38.590 ( 0.449 0.259 0.982) 1.110 61.260 ( 3.455 1.995 -12.333) 12.963 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -17.863 -10.313 -13.054) 24.410 1.439 ( -21.493 -12.409 -5.028) 25.322 2.977 ( -42.453 -24.510 6.435) 49.441 6.095 ( -0.550 -0.317 3.695) 3.749 6.108 ( 4.611 2.662 3.340) 6.286 7.107 ( 0.890 0.514 1.116) 1.517 7.402 ( -4.413 -2.548 0.285) 5.103 9.114 ( 7.588 4.381 -6.031) 10.637 19.213 ( -0.557 -0.321 -0.076) 0.647 19.487 ( -0.378 -0.218 -0.392) 0.587 38.604 ( 0.526 0.304 -0.006) 0.607 61.303 ( 3.454 1.994 -1.676) 4.326 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -14.608 -8.434 3.192) 17.167 0.928 ( -21.761 -12.563 -4.785) 25.578 2.040 ( -43.769 -25.270 11.655) 51.867 6.100 ( -0.422 -0.244 3.171) 3.208 6.230 ( 4.382 2.530 4.335) 6.663 7.119 ( 0.029 0.017 0.067) 0.075 7.290 ( -5.735 -3.311 1.183) 6.727 9.228 ( 5.718 3.301 -12.038) 13.730 19.202 ( -0.403 -0.233 0.048) 0.468 19.472 ( -0.511 -0.295 -3.200) 3.254 38.610 ( 0.387 0.224 -1.854) 1.907 61.462 ( 6.906 3.987 39.388) 40.187 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -0.000 21.339 3.704) 21.658 0.727 ( -0.000 20.122 18.320) 27.212 1.725 ( -0.000 24.241 52.674) 57.984 6.133 ( -0.000 1.575 2.587) 3.029 6.229 ( 0.000 8.434 -3.829) 9.263 7.083 ( 0.000 0.670 -3.268) 3.335 7.129 ( 0.000 6.665 -3.553) 7.553 8.962 ( 0.000 -0.946 -16.524) 16.551 19.198 ( -0.000 0.238 0.327) 0.405 19.276 ( 0.000 5.886 -4.912) 7.666 38.588 ( 0.000 -2.357 -0.753) 2.474 64.295 ( -0.000 -93.874 80.855) 123.895 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 23.235 18.168 4.332) 29.811 1.079 ( 9.394 14.432 23.664) 29.267 2.281 ( 9.912 28.463 39.417) 49.619 6.099 ( -4.622 2.767 0.633) 5.424 6.323 ( 2.256 0.718 2.720) 3.606 7.064 ( -0.948 1.074 -3.756) 4.020 7.222 ( 3.185 8.186 -2.941) 9.263 8.892 ( 3.467 -4.275 -19.933) 20.679 19.205 ( 0.235 0.359 0.369) 0.566 19.327 ( 2.355 3.680 -4.922) 6.582 38.553 ( -0.834 -1.497 -1.523) 2.292 63.528 ( -32.182 -57.211 77.051) 101.221 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 16.094 14.646 13.447) 25.580 1.547 ( 19.398 13.910 19.307) 30.701 2.935 ( 18.059 27.326 24.248) 40.753 6.058 ( -3.190 2.413 -0.067) 4.001 6.330 ( -2.300 -3.071 7.652) 8.560 7.042 ( -1.167 1.624 -4.069) 4.534 7.343 ( 3.691 6.107 -2.897) 7.701 8.812 ( 2.888 -4.957 -19.157) 19.998 19.216 ( 0.433 0.499 0.404) 0.774 19.376 ( 2.411 2.195 -3.905) 5.088 38.526 ( -0.267 -0.380 -1.864) 1.921 62.883 ( -27.701 -34.323 59.379) 73.968 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 15.083 9.422 18.469) 25.639 2.086 ( 15.961 17.156 14.035) 27.314 3.622 ( 24.586 22.956 10.925) 35.367 6.040 ( -1.587 2.263 -0.071) 2.765 6.270 ( -4.621 -4.127 9.216) 11.105 7.018 ( -1.976 2.513 -3.873) 5.022 7.421 ( 2.766 2.318 -6.607) 7.528 8.732 ( 1.224 -4.226 -12.018) 12.798 19.232 ( 0.524 0.628 0.404) 0.912 19.419 ( 2.300 1.415 -2.778) 3.875 38.520 ( 0.390 0.277 -1.309) 1.393 62.415 ( -21.412 -23.672 41.293) 52.191 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 13.845 5.565 17.050) 22.657 2.519 ( 8.905 17.397 8.836) 21.448 4.294 ( 27.983 17.401 0.923) 32.965 6.046 ( -0.552 2.389 -0.131) 2.455 6.187 ( -4.990 -3.793 9.333) 11.242 6.991 ( -2.910 3.616 -3.044) 5.550 7.421 ( 1.897 -0.686 -13.630) 13.779 8.667 ( -1.208 -3.797 -0.119) 3.986 19.249 ( 0.465 0.705 0.340) 0.910 19.457 ( 2.130 0.865 -1.899) 2.982 38.530 ( 0.688 0.450 -0.335) 0.888 62.045 ( -16.305 -17.660 25.960) 35.378 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 9.362 0.100 13.150) 16.142 2.805 ( 2.970 16.947 1.208) 17.247 4.890 ( 26.194 11.761 -6.083) 29.351 6.048 ( -1.110 -0.539 -0.192) 1.249 6.133 ( -3.151 -0.004 9.127) 9.655 6.966 ( -3.469 4.771 -1.792) 6.164 7.367 ( 2.346 -1.409 -19.769) 19.958 8.609 ( -4.007 -4.498 11.778) 13.229 19.263 ( 0.254 0.697 0.204) 0.769 19.489 ( 1.796 0.368 -1.320) 2.259 38.546 ( 0.621 0.287 0.515) 0.856 61.744 ( -11.842 -13.264 13.374) 22.249 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 1.802 -4.775 2.932) 5.886 2.976 ( -1.155 14.968 -1.594) 15.096 5.325 ( 18.477 6.717 -11.090) 22.572 6.001 ( -1.413 -4.938 3.004) 5.950 6.146 ( -2.542 3.508 6.019) 7.416 6.954 ( -3.351 5.668 -0.483) 6.602 7.324 ( 4.988 0.183 -22.278) 22.830 8.548 ( -5.530 -5.519 20.025) 21.495 19.272 ( -0.064 0.595 0.022) 0.599 19.512 ( 1.289 -0.082 -0.994) 1.629 38.559 ( 0.370 -0.004 0.980) 1.048 61.505 ( -7.722 -9.482 3.451) 12.706 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -4.408 -7.968 -7.287) 11.663 3.028 ( -7.446 11.863 -2.599) 14.246 5.538 ( 8.189 2.399 -14.994) 17.252 5.920 ( -3.894 -7.889 6.642) 11.024 6.151 ( -3.450 3.443 4.718) 6.784 6.962 ( -2.488 6.046 0.569) 6.563 7.353 ( 8.097 2.464 -21.710) 23.302 8.508 ( -3.543 -5.557 22.901) 23.831 19.272 ( -0.407 0.422 -0.150) 0.605 19.522 ( 0.702 -0.419 -0.818) 1.156 38.567 ( 0.161 -0.230 1.092) 1.127 61.330 ( -3.982 -6.099 -3.706) 8.173 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -9.286 -10.417 -13.335) 19.302 2.926 ( -15.028 9.179 -3.960) 18.050 5.466 ( -9.277 -6.663 -13.115) 17.392 5.818 ( -1.333 -5.418 7.890) 9.663 6.152 ( -2.656 3.217 4.628) 6.230 6.992 ( -1.337 5.819 1.242) 6.098 7.428 ( 7.107 3.484 -18.687) 20.294 8.538 ( 2.078 -4.371 19.106) 19.709 19.265 ( -0.686 0.227 -0.255) 0.766 19.521 ( 0.175 -0.584 -0.695) 0.925 38.571 ( 0.145 -0.280 0.999) 1.047 61.218 ( -0.810 -3.198 -7.832) 8.499 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -13.406 -11.628 -15.189) 23.360 2.670 ( -21.864 6.639 -4.766) 23.342 5.015 ( -25.788 -13.869 -3.403) 29.478 5.834 ( 3.899 -3.392 3.951) 6.505 6.161 ( -2.485 3.227 4.267) 5.898 7.036 ( -0.394 4.771 1.397) 4.987 7.483 ( 3.322 3.802 -12.740) 13.704 8.653 ( 7.403 -2.826 10.257) 12.961 19.252 ( -0.843 0.063 -0.260) 0.884 19.512 ( -0.179 -0.563 -0.602) 0.843 38.576 ( 0.320 -0.167 0.743) 0.826 61.169 ( 1.614 -0.927 -8.348) 8.553 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -16.454 -11.123 -12.566) 23.502 2.288 ( -26.777 4.302 -4.694) 27.524 4.337 ( -35.661 -16.575 2.082) 39.380 5.902 ( 5.799 -3.512 4.405) 8.085 6.168 ( -2.380 3.092 3.694) 5.373 7.079 ( 0.138 3.001 1.034) 3.177 7.501 ( -0.520 3.450 -5.988) 6.930 8.807 ( 9.832 -1.072 0.726) 9.916 19.237 ( -0.866 -0.037 -0.171) 0.884 19.500 ( -0.334 -0.402 -0.668) 0.849 38.585 ( 0.530 -0.004 0.146) 0.550 61.182 ( 3.300 0.635 -3.802) 5.074 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -17.711 -8.152 -3.804) 19.865 1.824 ( -29.405 2.651 -3.815) 29.770 3.531 ( -42.077 -16.534 6.042) 45.611 5.995 ( 6.273 -3.520 5.831) 9.260 6.176 ( -1.469 2.495 3.130) 4.264 7.105 ( 0.244 1.022 0.338) 1.104 7.475 ( -4.011 1.949 -1.068) 4.586 8.961 ( 9.795 1.127 -6.969) 12.074 19.222 ( -0.781 -0.069 -0.033) 0.785 19.487 ( -0.409 -0.201 -1.291) 1.370 38.593 ( 0.578 0.085 -1.076) 1.225 61.271 ( 5.051 1.643 9.657) 11.021 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -15.829 -1.494 13.935) 21.141 1.331 ( -29.899 2.686 -2.115) 30.093 2.672 ( -45.657 -13.600 10.843) 48.858 6.077 ( 3.391 -2.853 4.905) 6.610 6.208 ( 2.089 0.628 3.891) 4.461 7.110 ( 0.099 -0.419 -0.507) 0.665 7.390 ( -6.723 -0.256 0.287) 6.734 9.090 ( 7.696 3.360 -12.764) 15.278 19.209 ( -0.627 -0.047 0.103) 0.637 19.467 ( -0.850 -0.085 -3.331) 3.439 38.594 ( 0.408 0.067 -2.805) 2.835 61.521 ( 11.553 2.711 41.835) 43.486 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.000 24.310 4.212) 24.672 1.263 ( -0.000 13.154 29.529) 32.327 2.677 ( -0.000 32.267 34.168) 46.996 6.191 ( -0.000 1.526 3.390) 3.718 6.306 ( 0.000 2.212 -1.061) 2.454 7.063 ( 0.000 0.640 -4.168) 4.217 7.277 ( 0.000 9.933 -2.903) 10.348 8.718 ( 0.000 -5.993 -19.337) 20.244 19.208 ( -0.000 0.395 0.384) 0.551 19.326 ( 0.000 3.702 -4.076) 5.506 38.538 ( 0.000 -1.572 -1.225) 1.993 63.503 ( -0.000 -59.624 64.306) 87.694 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 19.225 22.386 4.616) 29.867 1.565 ( 6.108 9.642 31.752) 33.741 3.161 ( 4.406 31.383 23.882) 39.682 6.162 ( -4.984 2.588 1.114) 5.725 6.340 ( 1.065 -1.526 3.331) 3.815 7.050 ( -0.094 1.047 -4.220) 4.349 7.357 ( 0.856 6.342 -3.664) 7.374 8.616 ( 3.642 -4.171 -18.002) 18.834 19.217 ( 0.325 0.485 0.406) 0.711 19.353 ( 1.221 2.752 -3.436) 4.568 38.519 ( -0.186 -0.592 -1.090) 1.254 63.096 ( -14.352 -46.358 52.582) 71.554 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 10.681 10.528 24.448) 28.682 1.981 ( 21.318 16.888 10.663) 29.212 3.634 ( 8.984 26.132 11.871) 30.075 6.115 ( -3.788 2.961 0.312) 4.818 6.326 ( -2.193 -3.583 6.695) 7.903 7.046 ( -0.065 2.306 -4.133) 4.733 7.377 ( 0.566 0.463 -8.336) 8.368 8.597 ( 4.205 -0.548 -10.871) 11.669 19.231 ( 0.538 0.654 0.434) 0.952 19.387 ( 1.727 1.825 -2.734) 3.713 38.514 ( 0.195 0.311 -0.588) 0.693 62.635 ( -16.578 -35.035 39.315) 55.208 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 10.563 2.566 25.344) 27.577 2.539 ( 16.150 21.397 4.088) 27.117 4.085 ( 16.079 17.923 0.576) 24.085 6.096 ( -2.161 2.908 -0.132) 3.625 6.268 ( -3.954 -3.434 8.553) 10.029 7.054 ( -0.733 4.222 -3.919) 5.807 7.318 ( 0.561 -3.303 -14.751) 15.126 8.635 ( 2.096 0.990 0.355) 2.345 19.250 ( 0.537 0.860 0.422) 1.098 19.421 ( 1.957 1.005 -2.086) 3.032 38.524 ( 0.521 0.656 0.195) 0.860 62.211 ( -14.803 -27.068 26.218) 40.487 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 9.130 -3.451 17.852) 20.346 2.949 ( 5.480 23.073 0.655) 23.724 4.541 ( 23.056 10.230 -6.741) 26.109 6.075 ( -2.534 0.067 -0.975) 2.716 6.228 ( -2.963 0.140 9.568) 10.017 7.069 ( -1.862 6.595 -3.337) 7.622 7.219 ( 1.361 -4.035 -19.152) 19.620 8.671 ( -1.321 -0.558 10.733) 10.829 19.269 ( 0.304 1.026 0.333) 1.121 19.453 ( 1.982 0.254 -1.588) 2.552 38.542 ( 0.544 0.491 0.895) 1.157 61.842 ( -11.759 -20.795 14.612) 28.004 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 4.447 -8.420 6.051) 11.283 3.195 ( -2.226 22.669 -0.883) 22.795 4.981 ( 23.285 5.561 -10.445) 26.119 6.006 ( -3.075 -3.206 0.644) 4.488 6.246 ( -1.967 2.771 7.960) 8.655 7.086 ( -3.890 7.908 -1.715) 8.979 7.138 ( 4.407 -1.837 -21.632) 22.152 8.666 ( -4.386 -3.736 17.994) 18.893 19.282 ( -0.097 1.069 0.172) 1.087 19.478 ( 1.783 -0.362 -1.249) 2.207 38.558 ( 0.350 0.076 1.249) 1.299 61.540 ( -8.291 -15.249 5.243) 18.131 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -1.303 -10.409 -4.874) 11.568 3.315 ( -7.962 20.140 -1.128) 21.686 5.304 ( 15.414 2.776 -13.640) 20.769 5.925 ( -2.683 -5.474 3.667) 7.114 6.266 ( -2.946 2.521 6.880) 7.897 7.069 ( -0.446 2.886 -6.957) 7.545 7.165 ( 4.104 7.062 -15.300) 17.344 8.616 ( -5.228 -7.010 21.392) 23.110 19.287 ( -0.540 0.950 -0.006) 1.092 19.495 ( 1.386 -0.735 -1.032) 1.877 38.566 ( 0.152 -0.310 1.228) 1.275 61.314 ( -4.819 -10.196 -1.368) 11.360 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -6.541 -10.215 -10.623) 16.124 3.300 ( -14.609 16.933 -2.085) 22.461 5.408 ( 2.990 -1.011 -15.929) 16.239 5.838 ( -3.317 -6.859 7.967) 11.024 6.261 ( -3.422 2.111 6.319) 7.490 7.079 ( 0.144 3.898 -3.645) 5.339 7.264 ( 6.337 9.156 -16.079) 19.558 8.560 ( -2.383 -9.278 20.281) 22.429 19.282 ( -0.896 0.706 -0.129) 1.148 19.502 ( 0.880 -0.814 -0.889) 1.493 38.569 ( 0.122 -0.484 0.950) 1.073 61.168 ( -1.645 -5.774 -4.772) 7.669 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -11.316 -8.596 -10.901) 17.910 3.129 ( -21.669 13.434 -3.062) 25.679 5.219 ( -13.689 -7.111 -10.732) 18.792 5.781 ( -0.001 -5.115 8.222) 9.683 6.253 ( -2.698 1.784 4.475) 5.521 7.105 ( -0.711 4.244 -0.989) 4.416 7.399 ( 5.918 9.869 -14.003) 18.124 8.551 ( 3.420 -9.542 14.323) 17.547 19.270 ( -1.089 0.434 -0.149) 1.182 19.501 ( 0.388 -0.644 -0.815) 1.109 38.571 ( 0.279 -0.422 0.494) 0.707 61.103 ( 1.069 -2.217 -4.421) 5.060 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -15.274 -5.457 -5.944) 17.275 2.810 ( -27.504 9.675 -3.021) 29.312 4.746 ( -27.622 -9.957 -3.406) 29.558 5.807 ( 3.723 -3.766 7.356) 9.064 6.241 ( -2.102 1.025 2.267) 3.257 7.124 ( -1.167 3.067 -0.024) 3.282 7.511 ( 2.189 8.224 -8.462) 12.001 8.619 ( 8.879 -6.655 5.149) 12.233 19.254 ( -1.116 0.218 -0.069) 1.139 19.496 ( -0.010 -0.331 -0.896) 0.956 38.575 ( 0.474 -0.240 -0.227) 0.577 61.123 ( 3.449 0.299 0.668) 3.526 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -17.324 -0.323 4.458) 17.891 2.378 ( -30.963 6.140 -1.604) 31.606 4.097 ( -36.894 -8.696 1.476) 37.934 5.890 ( 5.647 -2.874 8.086) 10.273 6.221 ( -1.504 -0.230 0.652) 1.655 7.125 ( -1.128 1.168 -0.080) 1.626 7.547 ( -1.996 3.928 -3.404) 5.568 8.757 ( 11.176 -1.344 -3.408) 11.761 19.237 ( -1.018 0.095 0.063) 1.025 19.486 ( -0.356 0.002 -1.365) 1.411 38.578 ( 0.498 -0.083 -1.376) 1.465 61.240 ( 6.306 1.664 12.412) 14.021 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -16.141 6.256 18.530) 25.358 1.892 ( -31.518 3.915 1.099) 31.779 3.374 ( -42.383 -3.777 5.805) 42.945 6.000 ( 5.433 -2.024 7.763) 9.689 6.196 ( -0.065 -1.923 0.653) 2.031 7.109 ( -0.777 -0.425 -0.884) 1.251 7.491 ( -5.352 -0.016 -1.396) 5.531 8.922 ( 10.061 3.047 -9.471) 14.149 19.223 ( -0.851 0.062 0.188) 0.874 19.470 ( -0.892 0.283 -2.567) 2.732 38.576 ( 0.289 -0.008 -2.819) 2.834 61.504 ( 12.239 1.382 33.772) 35.948 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -0.000 23.213 4.668) 23.678 1.748 ( -0.000 6.618 35.120) 35.738 3.530 ( -0.000 30.739 16.283) 34.786 6.246 ( -0.000 1.024 3.109) 3.274 6.315 ( 0.000 -0.276 -0.741) 0.791 7.035 ( 0.000 0.485 -4.510) 4.536 7.370 ( 0.000 0.139 -4.905) 4.907 8.500 ( 0.000 2.541 -13.699) 13.933 19.220 ( -0.000 0.451 0.376) 0.587 19.356 ( 0.000 2.640 -2.870) 3.899 38.513 ( 0.000 -0.113 -0.512) 0.524 62.962 ( -0.000 -46.532 43.538) 63.724 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 17.876 21.047 4.149) 27.924 1.984 ( 4.020 2.398 34.431) 34.747 3.866 ( 0.636 25.971 6.097) 26.685 6.211 ( -4.310 1.739 0.247) 4.654 6.331 ( 0.907 -2.014 2.934) 3.672 7.030 ( 1.069 0.848 -4.485) 4.688 7.308 ( 0.323 -6.295 -8.953) 10.949 8.540 ( 2.193 9.344 -6.147) 11.397 19.230 ( 0.480 0.511 0.387) 0.801 19.374 ( 0.701 2.097 -2.364) 3.237 38.515 ( 0.088 0.618 0.096) 0.632 62.630 ( -7.789 -40.739 33.784) 53.495 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 6.592 -2.715 29.401) 30.253 2.411 ( 23.623 20.096 3.552) 31.217 4.110 ( 2.542 18.388 -3.860) 18.960 6.165 ( -3.179 1.846 -0.599) 3.724 6.322 ( -1.483 -2.140 6.125) 6.655 7.043 ( 1.905 0.652 -6.401) 6.710 7.204 ( 0.855 -6.130 -11.525) 13.081 8.664 ( 0.959 10.575 2.367) 10.879 19.249 ( 0.791 0.706 0.437) 1.147 19.397 ( 1.099 1.336 -1.948) 2.606 38.528 ( 0.261 0.992 0.745) 1.268 62.237 ( -10.170 -33.698 23.692) 42.430 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 7.047 -8.115 20.397) 23.056 2.993 ( 18.021 21.626 2.678) 28.277 4.312 ( 9.898 10.147 -10.082) 17.395 6.121 ( -3.203 -0.037 -0.983) 3.351 6.313 ( -1.862 0.442 8.188) 8.409 7.017 ( 2.788 -4.340 -16.215) 17.016 7.158 ( 0.457 2.487 -4.559) 5.214 8.773 ( -2.170 7.416 9.619) 12.338 19.273 ( 0.727 1.020 0.467) 1.336 19.419 ( 1.391 0.435 -1.637) 2.192 38.546 ( 0.267 0.835 1.249) 1.526 61.856 ( -9.568 -26.627 14.185) 31.651 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 5.200 -11.952 8.553) 15.590 3.422 ( 4.841 23.712 1.704) 24.261 4.590 ( 20.720 3.822 -11.413) 23.963 6.044 ( -4.095 -1.994 -0.219) 4.560 6.337 ( -1.616 2.071 8.166) 8.578 6.945 ( 3.865 -4.036 -19.599) 20.380 7.196 ( -0.420 7.094 -2.102) 7.411 8.808 ( -5.599 1.948 14.673) 15.825 19.295 ( 0.240 1.326 0.412) 1.409 19.438 ( 1.640 -0.433 -1.394) 2.195 38.562 ( 0.097 0.335 1.434) 1.475 61.529 ( -7.491 -19.681 6.212) 21.956 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 1.807 -12.232 -1.824) 12.498 3.644 ( -5.315 22.349 1.088) 22.998 4.946 ( 22.473 1.578 -11.781) 25.423 5.950 ( -4.072 -3.380 1.701) 5.559 6.357 ( -2.145 1.222 6.915) 7.342 6.913 ( 5.540 -1.438 -17.503) 18.415 7.255 ( -1.159 9.835 -2.892) 10.317 8.752 ( -7.810 -4.246 17.205) 19.366 19.308 ( -0.472 1.384 0.261) 1.485 19.454 ( 1.753 -0.951 -1.162) 2.308 38.568 ( -0.081 -0.195 1.276) 1.294 61.280 ( -4.797 -13.076 0.522) 13.938 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -2.363 -9.353 -7.057) 11.953 3.700 ( -11.940 18.405 0.380) 21.942 5.213 ( 12.808 1.076 -13.733) 18.809 5.863 ( -3.216 -4.904 5.413) 7.981 6.346 ( -2.540 -0.221 4.629) 5.285 6.958 ( 7.589 1.100 -11.504) 13.825 7.324 ( -1.104 12.198 -5.386) 13.380 8.628 ( -7.239 -9.764 17.164) 21.032 19.308 ( -1.053 1.083 0.100) 1.513 19.468 ( 1.555 -0.930 -0.948) 2.045 38.568 ( -0.100 -0.504 0.888) 1.026 61.119 ( -1.996 -7.209 -2.335) 7.836 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -7.044 -4.845 -6.482) 10.729 3.599 ( -18.379 13.338 -0.532) 22.715 5.251 ( -1.613 -0.265 -14.329) 14.422 5.798 ( -2.368 -5.246 9.634) 11.223 6.314 ( -2.164 -0.834 1.769) 2.917 7.070 ( 6.591 2.402 -3.918) 8.035 7.413 ( 0.711 13.548 -9.025) 16.294 8.495 ( -2.750 -12.905 14.476) 19.587 19.296 ( -1.325 0.630 0.036) 1.467 19.480 ( 1.068 -0.539 -0.813) 1.447 38.565 ( 0.072 -0.517 0.377) 0.644 61.051 ( 0.680 -2.508 -1.897) 3.217 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -11.499 0.357 -0.825) 11.535 3.335 ( -24.427 7.660 -0.667) 25.609 5.032 ( -16.431 -1.454 -10.310) 19.452 5.779 ( 0.215 -3.668 10.959) 11.558 6.275 ( -1.582 -1.150 -0.714) 2.082 7.155 ( 1.160 2.157 0.490) 2.497 7.524 ( 2.248 11.003 -9.652) 14.808 8.443 ( 4.973 -10.833 8.812) 14.823 19.277 ( -1.344 0.268 0.083) 1.373 19.486 ( 0.478 -0.049 -0.823) 0.953 38.564 ( 0.291 -0.336 -0.268) 0.519 61.077 ( 3.320 0.698 2.380) 4.144 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -14.378 5.778 8.541) 17.693 2.931 ( -28.633 2.376 0.613) 28.738 4.605 ( -28.548 0.503 -5.125) 29.009 5.831 ( 3.298 -2.044 10.876) 11.547 6.230 ( -1.294 -1.919 -2.148) 3.158 7.160 ( -1.865 0.251 0.508) 1.949 7.585 ( -0.258 4.427 -6.013) 7.471 8.537 ( 11.214 -3.445 1.282) 11.802 19.258 ( -1.217 0.077 0.185) 1.234 19.487 ( -0.112 0.377 -1.088) 1.157 38.564 ( 0.339 -0.126 -1.140) 1.196 61.202 ( 6.465 2.130 11.223) 13.126 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -14.686 10.486 18.651) 25.952 2.444 ( -30.021 -0.711 3.126) 30.191 4.064 ( -36.455 5.487 -0.392) 36.868 5.937 ( 4.932 -0.881 10.239) 11.398 6.176 ( -0.854 -3.079 -2.063) 3.803 7.116 ( -1.776 -2.036 -0.981) 2.875 7.555 ( -3.213 0.470 -3.208) 4.565 8.727 ( 11.917 1.775 -5.080) 13.075 19.240 ( -1.027 0.044 0.277) 1.064 19.479 ( -0.762 0.681 -1.758) 2.034 38.561 ( 0.124 0.023 -2.182) 2.186 61.446 ( 11.297 1.216 25.165) 27.611 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -0.000 19.104 3.724) 19.463 2.108 ( -0.000 -2.412 34.770) 34.854 4.113 ( -0.000 21.871 -2.288) 21.990 6.285 ( -0.000 0.544 2.227) 2.292 6.288 ( 0.000 -1.280 -1.640) 2.080 7.006 ( 0.000 0.516 -4.103) 4.135 7.172 ( 0.000 -11.234 -8.921) 14.345 8.645 ( -0.000 17.105 -0.606) 17.116 19.231 ( -0.000 0.415 0.325) 0.527 19.380 ( 0.000 1.996 -1.911) 2.763 38.524 ( -0.000 1.096 0.700) 1.301 62.427 ( -0.000 -40.272 26.921) 48.441 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 8.974 3.880 14.467) 17.461 2.255 ( 11.478 4.770 19.114) 22.800 4.256 ( -1.675 15.973 -9.566) 18.694 6.225 ( -3.122 -0.045 -1.128) 3.319 6.326 ( 1.518 -0.718 2.583) 3.081 6.975 ( -0.685 -4.619 -7.886) 9.165 7.068 ( 3.699 -4.912 -5.697) 8.383 8.827 ( -0.955 18.316 4.329) 18.845 19.243 ( 0.689 0.448 0.334) 0.887 19.393 ( 0.282 1.555 -1.545) 2.210 38.541 ( 0.057 1.358 1.192) 1.808 62.114 ( -4.533 -35.803 19.627) 41.080 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 4.024 -12.438 20.602) 24.400 2.792 ( 26.366 14.943 4.122) 30.585 4.305 ( -1.077 10.691 -12.656) 16.603 6.168 ( -3.077 -0.591 -0.832) 3.242 6.360 ( 0.821 0.769 4.940) 5.067 6.858 ( 0.624 -7.088 -12.976) 14.799 7.116 ( 4.622 1.307 -2.621) 5.472 8.978 ( -4.130 14.761 8.117) 17.345 19.266 ( 1.204 0.648 0.409) 1.427 19.404 ( 0.370 0.849 -1.315) 1.609 38.560 ( -0.020 1.169 1.470) 1.878 61.773 ( -6.076 -29.215 12.539) 32.368 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 4.221 -14.947 10.212) 18.588 3.405 ( 23.935 16.805 4.340) 29.566 4.350 ( 4.751 5.378 -12.184) 14.140 6.097 ( -3.972 -1.350 -0.240) 4.202 6.409 ( -0.292 1.998 7.060) 7.343 6.762 ( 2.918 -5.004 -15.913) 16.935 7.207 ( 4.155 3.675 -1.871) 5.854 9.032 ( -8.021 8.360 10.354) 15.538 19.297 ( 1.216 1.053 0.520) 1.691 19.410 ( 0.529 -0.065 -1.221) 1.333 38.574 ( -0.228 0.617 1.451) 1.594 61.465 ( -5.609 -21.663 6.387) 23.271 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 3.581 -13.061 1.306) 13.606 3.886 ( 6.163 20.445 5.078) 21.949 4.513 ( 19.756 -1.124 -11.241) 22.758 6.007 ( -4.816 -1.904 0.730) 5.230 6.428 ( -2.417 0.310 5.125) 5.675 6.739 ( 5.782 -0.830 -13.211) 14.445 7.306 ( 3.058 5.664 -2.144) 6.784 8.960 ( -11.227 0.780 11.008) 15.743 19.328 ( 0.346 1.571 0.605) 1.719 19.412 ( 1.159 -0.994 -1.187) 1.934 38.577 ( -0.423 -0.005 1.155) 1.230 61.226 ( -4.024 -14.032 1.849) 14.714 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 1.748 -7.690 -3.129) 8.484 4.044 ( -8.170 15.213 3.097) 17.544 4.862 ( 23.716 0.692 -9.570) 25.584 5.909 ( -4.703 -2.811 2.572) 6.053 6.386 ( -2.403 -1.641 -0.318) 2.927 6.818 ( 6.773 2.837 -4.847) 8.798 7.400 ( 1.950 7.455 -3.631) 8.518 8.776 ( -12.389 -6.359 10.368) 17.362 19.339 ( -1.039 1.335 0.428) 1.744 19.424 ( 2.004 -0.996 -0.931) 2.424 38.571 ( -0.440 -0.413 0.705) 0.928 61.075 ( -1.943 -7.143 -0.553) 7.423 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -1.577 -1.099 -2.581) 3.218 3.977 ( -13.600 7.328 1.510) 15.522 5.147 ( 10.542 4.632 -10.499) 15.582 5.828 ( -2.754 -4.057 6.265) 7.956 6.326 ( -1.579 -1.931 -3.070) 3.956 6.969 ( 7.436 4.146 1.643) 8.670 7.484 ( 1.273 8.647 -6.113) 10.666 8.534 ( -9.997 -11.364 8.878) 17.547 19.326 ( -1.499 0.486 0.213) 1.590 19.448 ( 1.787 -0.181 -0.643) 1.907 38.563 ( -0.241 -0.488 0.230) 0.591 61.017 ( 0.315 -1.690 -0.444) 1.775 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -5.756 4.886 2.057) 7.825 3.745 ( -18.746 0.112 0.906) 18.769 5.195 ( -5.633 7.421 -11.630) 14.902 5.800 ( -0.444 -4.017 10.786) 11.518 6.270 ( -1.095 -1.903 -4.120) 4.669 7.134 ( 4.913 3.105 4.252) 7.201 7.555 ( 1.213 7.783 -8.139) 11.327 8.340 ( -2.260 -11.510 6.782) 13.549 19.304 ( -1.466 -0.013 0.195) 1.479 19.472 ( 1.083 0.456 -0.575) 1.308 38.557 ( 0.038 -0.311 -0.234) 0.391 61.048 ( 2.752 1.850 2.476) 4.138 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -9.383 9.395 9.147) 16.123 3.365 ( -23.254 -5.248 1.456) 23.883 5.021 ( -18.644 9.762 -9.609) 23.135 5.828 ( 1.319 -2.329 12.675) 12.955 6.212 ( -1.052 -2.378 -4.364) 5.080 7.190 ( -1.361 -0.967 2.181) 2.746 7.594 ( 0.442 3.751 -6.902) 7.868 8.336 ( 8.533 -4.895 3.513) 10.446 19.280 ( -1.299 -0.177 0.257) 1.336 19.487 ( 0.315 0.851 -0.706) 1.150 38.555 ( 0.170 -0.064 -0.749) 0.771 61.167 ( 5.661 3.168 8.435) 10.641 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -11.335 12.119 16.316) 23.271 2.895 ( -25.609 -6.862 3.033) 26.685 4.694 ( -28.492 12.943 -5.446) 31.765 5.909 ( 3.393 -0.892 12.240) 12.733 6.149 ( -1.104 -3.055 -3.886) 5.065 7.119 ( -2.904 -4.699 -0.783) 5.579 7.585 ( -1.364 1.840 -5.154) 5.640 8.514 ( 12.621 -0.146 -0.421) 12.629 19.259 ( -1.090 -0.120 0.314) 1.141 19.492 ( -0.462 1.045 -1.079) 1.571 38.553 ( 0.015 0.120 -1.332) 1.337 61.377 ( 9.535 1.904 17.316) 19.859 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.000 13.271 2.275) 13.464 2.236 ( -0.000 -13.211 27.536) 30.541 4.359 ( 0.000 11.987 -13.026) 17.702 6.243 ( 0.000 -1.650 -1.556) 2.268 6.309 ( -0.000 0.411 1.178) 1.247 6.889 ( 0.000 -9.076 -6.802) 11.342 6.985 ( 0.000 0.699 -3.118) 3.196 9.054 ( -0.000 20.178 5.786) 20.991 19.241 ( -0.000 0.312 0.259) 0.406 19.400 ( 0.000 1.439 -1.125) 1.826 38.561 ( -0.000 1.516 1.459) 2.104 61.885 ( -0.000 -33.508 14.939) 36.687 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.999 -16.234 19.219) 25.177 2.522 ( 19.227 9.764 3.245) 21.807 4.383 ( -2.123 8.992 -12.123) 15.242 6.201 ( -2.096 -1.181 -0.609) 2.482 6.345 ( 2.792 0.569 1.329) 3.144 6.763 ( -2.089 -6.217 -7.164) 9.713 7.028 ( 4.872 0.751 -2.300) 5.440 9.240 ( -3.527 17.101 6.407) 18.599 19.253 ( 0.911 0.313 0.259) 0.998 19.408 ( -0.103 1.046 -0.805) 1.324 38.581 ( -0.136 1.283 1.489) 1.970 61.614 ( -2.570 -27.963 10.200) 29.876 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.394 -16.701 10.932) 20.104 3.054 ( 30.188 8.496 3.050) 31.509 4.373 ( -2.651 7.090 -8.163) 11.133 6.146 ( -3.134 -1.008 0.308) 3.307 6.426 ( 4.054 1.961 3.267) 5.563 6.639 ( -1.764 -4.631 -9.572) 10.779 7.129 ( 6.464 1.550 -1.706) 6.862 9.307 ( -8.211 10.896 5.965) 14.890 19.280 ( 1.697 0.436 0.291) 1.777 19.408 ( -0.382 0.496 -0.587) 0.858 38.592 ( -0.415 0.710 1.263) 1.507 61.360 ( -3.335 -20.538 5.900) 21.627 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 3.739 -12.441 4.124) 13.630 3.694 ( 33.183 8.371 3.127) 34.365 4.359 ( -2.562 4.324 -4.492) 6.740 6.076 ( -4.415 -0.913 1.028) 4.624 6.492 ( -3.549 -0.312 0.853) 3.663 6.583 ( 7.071 0.321 -6.413) 9.551 7.251 ( 6.423 2.308 -1.689) 7.031 9.224 ( -12.610 3.416 4.564) 13.839 19.320 ( 2.131 0.689 0.324) 2.263 19.399 ( -0.669 -0.115 -0.456) 0.818 38.591 ( -0.674 0.057 0.845) 1.082 61.163 ( -2.852 -12.576 2.516) 13.138 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 4.372 -5.176 0.468) 6.792 4.294 ( -0.898 12.841 7.887) 15.097 4.357 ( 27.434 -3.905 -7.522) 28.713 5.988 ( -5.581 -0.978 1.498) 5.861 6.400 ( -2.928 -1.709 -6.152) 7.024 6.733 ( 7.136 3.997 3.355) 8.841 7.369 ( 5.541 2.766 -2.375) 6.632 8.998 ( -15.416 -3.492 2.506) 16.004 19.365 ( 1.460 1.474 0.643) 2.172 19.381 ( -0.189 -1.108 -0.686) 1.316 38.580 ( -0.734 -0.387 0.371) 0.909 61.044 ( -1.666 -5.294 0.454) 5.569 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 3.290 2.205 0.103) 3.961 4.195 ( -8.291 -3.041 0.484) 8.844 4.886 ( 23.405 7.728 -0.624) 24.656 5.887 ( -5.517 -1.438 2.110) 6.079 6.317 ( -1.892 -1.224 -6.369) 6.756 6.919 ( 6.610 5.041 7.649) 11.297 7.467 ( 4.428 2.529 -3.401) 6.129 8.680 ( -15.356 -8.068 0.155) 17.347 19.353 ( -1.350 -0.495 0.048) 1.439 19.414 ( 2.179 0.833 -0.049) 2.334 38.565 ( -0.535 -0.475 -0.022) 0.716 61.007 ( -0.099 0.353 0.028) 0.367 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 0.477 7.700 2.487) 8.105 3.967 ( -12.240 -8.888 0.502) 15.135 5.243 ( 8.261 10.958 -3.453) 14.151 5.811 ( -2.132 -2.816 4.667) 5.852 6.254 ( -1.436 -1.019 -5.472) 5.749 7.110 ( 5.350 4.338 8.808) 11.181 7.536 ( 3.374 1.100 -3.331) 4.867 8.364 ( -10.483 -8.521 -1.857) 13.637 19.325 ( -1.289 -0.698 0.111) 1.470 19.455 ( 1.541 1.159 -0.115) 1.932 38.554 ( -0.196 -0.276 -0.284) 0.442 61.045 ( 1.794 3.782 1.466) 4.435 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -3.058 10.757 6.782) 13.079 3.618 ( -16.525 -12.577 0.749) 20.780 5.336 ( -8.454 14.463 -7.480) 18.346 5.819 ( 2.800 -3.520 9.333) 10.361 6.195 ( -1.679 -1.511 -4.116) 4.695 7.206 ( -0.491 -1.549 3.817) 4.148 7.580 ( 2.045 1.266 -2.261) 3.301 8.206 ( 1.494 -4.394 -0.886) 4.725 19.298 ( -1.163 -0.634 0.199) 1.339 19.486 ( 0.794 1.298 -0.284) 1.547 38.550 ( 0.045 0.011 -0.462) 0.465 61.151 ( 4.167 4.741 4.884) 7.980 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -6.104 11.628 11.676) 17.572 3.192 ( -19.293 -12.067 1.373) 22.797 5.213 ( -18.967 16.203 -7.548) 26.062 5.894 ( 3.601 -2.176 11.038) 11.813 6.130 ( -1.912 -2.104 -2.840) 4.019 7.115 ( -3.896 -7.175 -0.384) 8.173 7.599 ( -0.489 3.401 -6.338) 7.209 8.306 ( 11.075 -1.739 3.100) 11.632 19.276 ( -0.984 -0.406 0.253) 1.095 19.504 ( -0.016 1.282 -0.562) 1.399 38.550 ( 0.006 0.212 -0.623) 0.658 61.320 ( 7.214 3.122 10.122) 12.815 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.000 -18.921 16.431) 25.060 2.440 ( -0.000 7.357 1.632) 7.535 4.432 ( 0.000 7.018 -8.555) 11.065 6.206 ( 0.000 -1.241 0.134) 1.249 6.322 ( -0.000 0.380 0.015) 0.381 6.714 ( 0.000 -3.909 -4.731) 6.137 6.978 ( 0.000 0.833 -1.927) 2.099 9.455 ( -0.000 14.514 4.364) 15.156 19.248 ( -0.000 0.167 0.198) 0.259 19.416 ( 0.000 0.906 -0.369) 0.978 38.600 ( -0.000 1.036 1.286) 1.651 61.421 ( -0.000 -23.316 7.541) 24.505 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.779 -16.352 10.793) 19.608 2.684 ( 20.045 4.521 2.129) 20.658 4.452 ( -1.719 5.844 -3.180) 6.872 6.184 ( -1.788 -0.700 1.381) 2.365 6.360 ( 4.129 0.466 -0.644) 4.205 6.634 ( -3.389 -1.774 -4.186) 5.670 7.029 ( 5.254 0.904 -1.474) 5.531 9.541 ( -5.206 8.769 1.868) 10.367 19.259 ( 1.065 0.121 0.167) 1.085 19.420 ( -0.374 0.599 -0.014) 0.706 38.610 ( -0.331 0.480 0.896) 1.069 61.240 ( -1.350 -16.418 4.845) 17.171 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 2.819 -10.052 5.998) 12.040 3.177 ( 31.953 2.055 1.719) 32.065 4.462 ( -3.082 4.804 2.182) 6.110 6.144 ( -3.352 -0.285 2.362) 4.110 6.442 ( 4.845 -0.924 -6.398) 8.078 6.561 ( -1.919 1.949 2.270) 3.555 7.140 ( 7.177 0.975 -1.490) 7.394 9.461 ( -10.606 1.877 -0.959) 10.813 19.287 ( 1.976 0.063 0.051) 1.977 19.415 ( -0.823 0.336 0.325) 0.946 38.606 ( -0.676 -0.147 0.416) 0.807 61.107 ( -1.682 -8.728 2.385) 9.203 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 5.072 -2.280 2.650) 6.160 3.759 ( 34.465 -2.248 -1.348) 34.564 4.466 ( -3.557 4.610 7.891) 9.807 6.083 ( -5.024 0.031 2.576) 5.645 6.392 ( -1.865 -1.493 -9.621) 9.913 6.685 ( 6.532 4.933 7.984) 11.434 7.264 ( 7.174 0.668 -1.889) 7.448 9.220 ( -14.815 -4.169 -3.914) 15.881 19.324 ( 2.414 -0.309 -0.322) 2.455 19.404 ( -1.083 0.505 0.800) 1.438 38.590 ( -0.829 -0.559 -0.021) 1.000 61.036 ( -1.351 -1.689 0.455) 2.210 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 6.303 4.253 0.740) 7.640 4.110 ( 11.687 -11.931 -5.271) 17.513 4.632 ( 14.422 8.624 12.343) 20.850 5.997 ( -6.540 0.464 1.613) 6.752 6.308 ( -1.816 -0.848 -8.107) 8.351 6.899 ( 7.083 6.031 10.710) 14.186 7.371 ( 6.181 -0.464 -2.111) 6.548 8.867 ( -16.629 -7.522 -6.905) 19.514 19.345 ( 0.945 -1.389 -0.693) 1.818 19.408 ( 0.280 1.537 1.161) 1.947 38.570 ( -0.688 -0.604 -0.299) 0.963 61.030 ( -0.594 3.572 -0.642) 3.677 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.755 8.252 0.386) 10.068 3.991 ( -4.561 -15.281 -1.253) 15.996 5.082 ( 20.287 6.742 7.327) 22.599 5.892 ( -6.796 1.002 0.029) 6.870 6.245 ( -1.198 -0.713 -5.876) 6.040 7.116 ( 5.089 5.633 11.249) 13.571 7.444 ( 5.161 -2.792 0.207) 5.872 8.485 ( -14.759 -6.634 -9.771) 18.903 19.330 ( -0.462 -1.384 -0.246) 1.480 19.445 ( 1.348 1.622 0.612) 2.197 38.555 ( -0.339 -0.343 -0.378) 0.613 61.076 ( 0.565 6.426 -0.623) 6.480 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.609 9.760 1.699) 10.544 3.697 ( -10.277 -17.493 0.021) 20.288 5.447 ( 10.409 8.315 2.955) 13.646 5.802 ( -3.752 0.074 0.046) 3.753 6.196 ( -1.320 -1.099 -3.094) 3.539 7.217 ( -0.981 -1.735 3.491) 4.020 7.525 ( 5.457 -1.017 6.987) 8.924 8.202 ( -7.104 -1.988 -9.604) 12.111 19.307 ( -0.732 -1.097 -0.002) 1.319 19.484 ( 1.115 1.500 0.190) 1.879 38.549 ( -0.010 0.008 -0.306) 0.306 61.165 ( 2.246 6.729 0.707) 7.129 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.641 9.194 4.380) 10.204 3.330 ( -12.988 -15.864 0.167) 20.503 5.568 ( -8.420 13.863 -5.989) 17.290 5.820 ( 6.301 -3.218 6.197) 9.405 6.146 ( -2.201 -1.773 -0.114) 2.829 7.109 ( -4.579 -8.344 -0.080) 9.518 7.613 ( 0.548 3.700 -3.534) 5.146 8.160 ( 5.291 -0.690 2.423) 5.860 19.286 ( -0.695 -0.725 0.098) 1.009 19.511 ( 0.477 1.300 -0.172) 1.396 38.550 ( 0.081 0.239 -0.168) 0.303 61.287 ( 4.537 4.631 3.329) 7.288 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 -12.757 9.312) 15.795 2.547 ( -0.000 2.041 2.149) 2.963 4.515 ( -0.000 4.636 2.112) 5.095 6.203 ( -0.000 -0.284 2.866) 2.880 6.322 ( 0.000 0.154 -1.215) 1.225 6.642 ( 0.000 0.158 -3.590) 3.593 6.982 ( 0.000 0.833 -0.876) 1.209 9.649 ( 0.000 3.604 -1.936) 4.091 19.251 ( -0.000 -0.003 0.146) 0.146 19.429 ( -0.000 0.412 0.419) 0.587 38.618 ( -0.000 -0.025 0.436) 0.436 61.138 ( -0.000 -10.162 3.284) 10.680 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 1.510 -6.320 6.123) 8.928 2.740 ( 19.870 -0.791 2.366) 20.026 4.562 ( -1.588 3.544 6.964) 7.974 6.202 ( -1.898 0.072 4.154) 4.567 6.345 ( 3.133 -0.250 -3.083) 4.403 6.618 ( -1.742 2.471 -1.182) 3.246 7.035 ( 5.094 0.763 -0.880) 5.225 9.588 ( -5.950 -2.502 -5.336) 8.374 19.260 ( 1.072 -0.101 0.072) 1.079 19.431 ( -0.438 0.192 0.790) 0.923 38.613 ( -0.409 -0.581 -0.002) 0.711 61.076 ( -0.741 -3.128 1.327) 3.478 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 4.265 -0.065 2.341) 4.866 3.167 ( 30.637 -4.371 1.119) 30.968 4.590 ( -2.744 1.853 10.862) 11.355 6.175 ( -3.751 0.173 4.475) 5.842 6.350 ( 0.390 -1.166 -7.953) 8.048 6.681 ( 3.932 5.809 5.945) 9.195 7.140 ( 6.833 0.396 -1.403) 6.987 9.360 ( -11.204 -7.492 -8.226) 15.790 19.283 ( 1.801 -0.330 -0.161) 1.838 19.427 ( -0.691 0.186 1.158) 1.361 38.595 ( -0.673 -0.918 -0.309) 1.179 61.063 ( -1.069 3.212 -0.797) 3.477 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 7.192 4.153 -1.186) 8.389 3.616 ( 27.925 -10.270 -1.937) 29.817 4.630 ( 1.230 0.826 14.135) 14.213 6.117 ( -5.574 0.523 2.928) 6.318 6.287 ( -1.258 -1.268 -8.687) 8.869 6.891 ( 7.467 7.684 11.021) 15.371 7.247 ( 6.451 -0.695 -1.719) 6.712 9.011 ( -14.505 -9.500 -10.723) 20.387 19.307 ( 1.655 -0.868 -0.494) 1.933 19.427 ( -0.298 0.634 1.454) 1.614 38.573 ( -0.649 -0.883 -0.416) 1.172 61.091 ( -1.104 7.658 -2.722) 8.202 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 9.101 6.143 -3.778) 11.612 3.790 ( 9.127 -17.430 -2.471) 19.830 4.842 ( 15.785 0.829 13.368) 20.702 6.024 ( -6.818 1.423 -0.860) 7.018 6.223 ( -0.669 -1.581 -5.925) 6.169 7.142 ( 5.723 7.640 12.020) 15.350 7.325 ( 5.590 -3.139 1.164) 6.516 8.622 ( -14.774 -6.988 -13.054) 20.917 19.313 ( 0.597 -1.353 -0.476) 1.554 19.446 ( 0.743 1.169 1.246) 1.863 38.555 ( -0.367 -0.535 -0.327) 0.727 61.146 ( -0.760 9.581 -4.005) 10.412 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 9.261 6.358 -4.907) 12.258 3.627 ( -3.307 -20.624 -0.540) 20.894 5.221 ( 20.684 -0.546 9.253) 22.666 5.917 ( -6.673 2.750 -4.258) 8.380 6.180 ( -0.196 -2.121 -2.636) 3.389 7.231 ( -1.733 -2.722 0.524) 3.269 7.458 ( 7.164 0.881 13.991) 15.743 8.300 ( -11.083 -0.072 -13.451) 17.429 19.301 ( -0.099 -1.304 -0.236) 1.329 19.480 ( 1.170 1.254 0.695) 1.850 38.548 ( -0.020 -0.098 -0.104) 0.144 61.214 ( 0.156 8.971 -4.260) 9.932 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -0.000 -2.409 3.899) 4.583 2.557 ( -0.000 -3.415 2.847) 4.446 4.645 ( -0.000 2.303 10.832) 11.074 6.243 ( -0.000 0.226 5.485) 5.490 6.306 ( 0.000 -0.154 -2.264) 2.269 6.653 ( 0.000 3.867 -2.434) 4.570 6.995 ( -0.000 0.848 -0.071) 0.851 9.558 ( 0.000 -7.608 -8.467) 11.383 19.250 ( -0.000 -0.184 0.093) 0.206 19.440 ( -0.000 -0.081 1.149) 1.152 38.608 ( 0.000 -1.048 -0.283) 1.085 61.084 ( -0.000 3.080 -0.674) 3.152 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 2.507 0.482 -0.362) 2.578 2.690 ( 18.983 -6.762 2.526) 20.310 4.692 ( -2.018 -0.366 12.960) 13.121 6.248 ( -2.169 -0.215 5.327) 5.756 6.302 ( 0.584 -0.583 -4.766) 4.837 6.710 ( 2.134 6.936 2.065) 7.545 7.043 ( 4.389 0.739 -0.328) 4.463 9.371 ( -5.824 -11.389 -10.334) 16.445 19.256 ( 0.937 -0.318 -0.009) 0.990 19.441 ( -0.298 -0.243 1.462) 1.512 38.591 ( -0.343 -1.298 -0.354) 1.389 61.127 ( -0.700 8.534 -3.407) 9.215 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 6.221 1.767 -4.973) 8.158 3.026 ( 27.851 -11.025 0.999) 29.971 4.687 ( -2.134 -4.515 13.511) 14.405 6.213 ( -4.014 -0.244 2.037) 4.508 6.256 ( -1.157 -1.567 -6.692) 6.970 6.899 ( 6.852 9.809 9.466) 15.257 7.134 ( 5.629 0.141 -0.992) 5.718 9.067 ( -10.223 -12.040 -11.253) 19.393 19.272 ( 1.379 -0.603 -0.243) 1.525 19.441 ( -0.212 -0.112 1.701) 1.718 38.570 ( -0.452 -1.188 -0.219) 1.290 61.190 ( -1.411 12.038 -6.386) 13.700 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 10.057 1.890 -8.699) 13.431 3.337 ( 22.265 -16.829 -1.028) 27.928 4.698 ( 5.391 -7.542 13.181) 16.115 6.118 ( -4.839 0.008 -8.092) 9.428 6.201 ( -1.519 -2.026 0.129) 2.536 7.176 ( 6.654 10.037 11.979) 16.986 7.213 ( 5.190 -1.909 1.142) 5.647 8.722 ( -12.053 -8.018 -11.807) 18.681 19.284 ( 1.068 -1.011 -0.415) 1.528 19.450 ( 0.410 0.307 1.664) 1.741 38.554 ( -0.301 -0.766 0.054) 0.825 61.251 ( -1.915 12.927 -8.909) 15.816 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 12.656 1.400 -11.004) 16.829 3.385 ( 7.061 -22.321 -1.431) 23.455 4.882 ( 18.803 -8.285 10.805) 23.215 5.998 ( -4.387 0.752 -11.114) 11.972 6.162 ( -1.265 -2.308 2.083) 3.357 7.213 ( -0.181 -3.933 -1.075) 4.081 7.441 ( 6.051 4.896 15.393) 17.249 8.437 ( -10.568 1.025 -11.053) 15.326 19.284 ( 0.459 -1.214 -0.359) 1.346 19.474 ( 1.045 0.632 1.202) 1.714 38.547 ( -0.022 -0.249 0.364) 0.442 61.295 ( -1.820 11.285 -10.277) 15.372 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 -0.482 -4.311) 4.338 2.455 ( -0.000 -9.847 2.624) 10.191 4.748 ( -0.000 -4.501 12.729) 13.501 6.278 ( 0.000 -0.313 -2.957) 2.974 6.283 ( -0.000 -0.742 2.845) 2.940 6.775 ( -0.000 9.363 2.685) 9.740 7.015 ( -0.000 1.030 0.568) 1.176 9.249 ( 0.000 -13.899 -10.343) 17.326 19.245 ( 0.000 -0.360 0.031) 0.362 19.446 ( -0.000 -0.578 1.750) 1.843 38.579 ( 0.000 -1.483 -0.122) 1.488 61.217 ( 0.000 13.152 -7.181) 14.984 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.633 -1.940 -8.813) 9.728 2.514 ( 18.073 -13.459 1.986) 22.621 4.705 ( -1.933 -11.200 10.362) 15.380 6.237 ( -2.434 -0.639 -7.249) 7.673 6.268 ( -1.347 -1.078 1.814) 2.504 6.944 ( 4.731 12.032 8.597) 15.526 7.059 ( 3.409 0.977 0.251) 3.555 9.025 ( -4.989 -13.378 -8.816) 16.780 19.248 ( 0.735 -0.497 -0.075) 0.890 19.447 ( -0.052 -0.671 1.998) 2.108 38.563 ( -0.199 -1.337 0.309) 1.386 61.311 ( -1.158 15.928 -11.513) 19.687 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 8.508 -3.193 -12.782) 15.683 2.755 ( 25.191 -17.447 0.719) 30.651 4.582 ( 0.686 -17.601 7.936) 19.320 6.129 ( -3.944 -0.425 -12.338) 12.960 6.235 ( -2.253 -1.421 2.647) 3.756 7.127 ( 3.988 -0.450 0.816) 4.095 7.220 ( 6.872 11.731 11.599) 17.871 8.768 ( -7.888 -8.315 -6.760) 13.306 19.257 ( 0.971 -0.747 -0.253) 1.251 19.452 ( 0.285 -0.455 2.068) 2.137 38.551 ( -0.190 -0.893 0.794) 1.210 61.378 ( -2.501 16.056 -15.377) 22.372 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 13.231 -3.824 -15.350) 20.623 2.943 ( 17.962 -22.486 -1.234) 28.805 4.524 ( 12.352 -19.835 6.640) 24.292 6.004 ( -3.556 0.610 -14.054) 14.510 6.192 ( -2.445 -1.818 3.369) 4.542 7.164 ( 1.543 -2.618 0.043) 3.039 7.466 ( 4.816 5.646 11.806) 13.945 8.573 ( -7.739 1.979 -4.333) 9.088 19.261 ( 0.724 -0.992 -0.337) 1.273 19.467 ( 0.851 -0.082 1.754) 1.951 38.548 ( -0.040 -0.342 1.172) 1.222 61.400 ( -3.344 13.505 -17.567) 22.409 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.000 -5.535 -11.731) 12.971 2.214 ( 0.000 -16.691 1.618) 16.769 4.603 ( -0.000 -20.169 4.906) 20.757 6.243 ( 0.000 -0.430 -3.455) 3.481 6.257 ( 0.000 -0.203 -5.184) 5.188 7.045 ( -0.000 1.257 1.056) 1.642 7.066 ( -0.000 13.332 9.725) 16.502 8.910 ( 0.000 -12.100 -4.271) 12.831 19.237 ( 0.000 -0.508 -0.038) 0.509 19.449 ( -0.000 -0.976 2.317) 2.514 38.555 ( -0.000 -1.202 1.030) 1.583 61.427 ( 0.000 18.389 -17.498) 25.384 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 4.662 -7.913 -14.804) 17.422 2.203 ( 17.699 -19.611 1.276) 26.448 4.371 ( 0.243 -28.332 0.103) 28.334 6.159 ( -4.907 0.812 -9.778) 10.971 6.249 ( -0.119 -0.656 -1.703) 1.829 7.080 ( 2.048 0.740 1.050) 2.418 7.279 ( 4.803 11.093 9.659) 15.473 8.774 ( -3.441 -6.732 0.863) 7.610 19.236 ( 0.536 -0.615 -0.125) 0.825 19.451 ( 0.188 -0.966 2.534) 2.719 38.551 ( -0.082 -0.800 1.720) 1.898 61.502 ( -2.001 18.426 -23.050) 29.577 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 10.835 -8.564 -17.488) 22.284 2.366 ( 22.692 -22.523 0.126) 31.972 4.118 ( 7.435 -32.030 -1.592) 32.920 6.033 ( -5.232 2.035 -12.072) 13.314 6.221 ( -1.602 -1.314 0.458) 2.122 7.120 ( 1.721 -0.836 0.743) 2.053 7.478 ( 4.432 3.836 7.132) 9.231 8.699 ( -4.245 3.255 4.512) 6.998 19.239 ( 0.668 -0.782 -0.236) 1.055 19.460 ( 0.618 -0.668 2.405) 2.571 38.553 ( -0.066 -0.291 2.156) 2.177 61.508 ( -3.957 15.481 -26.190) 30.679 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 -11.345 -15.137) 18.917 1.842 ( 0.000 -22.210 1.100) 22.237 4.030 ( 0.000 -36.923 -6.540) 37.497 6.199 ( 0.000 -0.711 -3.926) 3.990 6.212 ( 0.000 2.455 -9.069) 9.395 7.080 ( -0.000 1.204 1.226) 1.718 7.362 ( -0.000 7.015 5.953) 9.200 8.776 ( -0.000 -2.270 8.752) 9.042 19.225 ( 0.000 -0.593 -0.093) 0.600 19.451 ( -0.000 -1.171 2.977) 3.199 38.554 ( -0.000 -0.486 2.539) 2.585 61.587 ( 0.000 19.144 -30.736) 36.210 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 5.556 -12.581 -16.698) 21.632 1.789 ( 17.764 -23.546 1.379) 29.528 3.634 ( 4.283 -41.285 -9.179) 42.509 6.104 ( -5.703 2.011 -8.970) 10.818 6.221 ( 0.340 0.318 -3.590) 3.620 7.101 ( 0.643 0.374 0.978) 1.229 7.452 ( 3.425 0.458 2.494) 4.261 8.823 ( -1.369 4.807 12.680) 13.630 19.222 ( 0.378 -0.645 -0.142) 0.761 19.456 ( 0.343 -1.035 3.119) 3.304 38.563 ( -0.067 -0.080 2.971) 2.973 61.592 ( -3.016 16.864 -35.666) 39.567 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 -15.120 -13.582) 20.325 1.390 ( 0.000 -24.992 2.197) 25.088 3.111 ( 0.000 -46.605 -13.159) 48.427 6.147 ( 0.000 -0.882 -4.022) 4.118 6.198 ( 0.000 4.201 -8.545) 9.522 7.109 ( -0.000 0.692 0.843) 1.090 7.408 ( 0.000 -3.403 -0.493) 3.438 8.955 ( -0.000 6.538 16.677) 17.913 19.213 ( 0.000 -0.584 -0.104) 0.594 19.457 ( -0.000 -1.114 3.654) 3.820 38.579 ( -0.000 0.192 3.260) 3.265 61.608 ( 0.000 16.318 -43.460) 46.422 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -0.000 0.000 11.937) 11.937 0.323 ( -0.000 0.000 11.937) 11.937 1.801 ( -0.000 0.000 66.180) 66.180 6.106 ( -0.000 0.000 1.588) 1.588 6.106 ( -0.000 0.000 1.588) 1.588 7.054 ( 0.000 -0.000 -4.211) 4.211 7.054 ( 0.000 -0.000 -4.211) 4.211 8.905 ( 0.000 -0.000 -11.736) 11.736 19.197 ( -0.000 0.000 0.383) 0.383 19.197 ( -0.000 0.000 0.383) 0.383 38.620 ( 0.000 -0.000 -0.382) 0.382 65.618 ( 0.000 -0.000 -0.034) 0.034 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 26.844 15.499 9.466) 32.410 0.738 ( 19.146 11.054 8.999) 23.869 2.192 ( 9.169 5.293 58.872) 59.816 6.069 ( -1.854 -1.071 0.841) 2.300 6.269 ( 8.115 4.685 0.747) 9.400 7.028 ( -0.165 -0.095 -4.909) 4.912 7.097 ( 4.916 2.838 -3.875) 6.873 8.848 ( 0.328 0.190 -17.199) 17.203 19.201 ( 0.216 0.125 0.422) 0.491 19.247 ( 3.620 2.090 -2.110) 4.682 38.584 ( -2.378 -1.373 -0.246) 2.757 64.813 ( -58.317 -33.669 40.532) 78.596 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 20.061 11.582 7.685) 24.406 1.370 ( 24.887 14.368 16.611) 33.192 2.715 ( 17.111 9.879 42.543) 46.907 6.035 ( -1.337 -0.772 0.452) 1.609 6.385 ( 1.021 0.590 4.311) 4.470 7.002 ( -0.135 -0.078 -5.159) 5.161 7.225 ( 6.982 4.031 -3.155) 8.657 8.769 ( 0.489 0.282 -21.051) 21.059 19.211 ( 0.429 0.248 0.444) 0.665 19.316 ( 3.444 1.988 -3.218) 5.116 38.535 ( -1.535 -0.886 -0.532) 1.851 63.794 ( -49.045 -28.316 54.191) 78.383 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 19.464 11.237 6.274) 23.334 1.958 ( 18.872 10.896 24.174) 32.546 3.327 ( 23.882 13.789 23.378) 36.153 6.016 ( -0.439 -0.254 0.379) 0.633 6.373 ( -3.797 -2.192 7.186) 8.417 6.975 ( -0.371 -0.214 -4.751) 4.770 7.343 ( 4.449 2.569 -5.677) 7.656 8.701 ( 1.348 0.778 -17.231) 17.301 19.224 ( 0.581 0.336 0.429) 0.797 19.375 ( 2.932 1.693 -2.805) 4.397 38.514 ( -0.137 -0.079 -0.460) 0.487 63.061 ( -36.458 -21.049 44.464) 61.231 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 17.466 10.084 4.169) 20.594 2.416 ( 11.827 6.829 24.737) 28.257 3.980 ( 27.459 15.854 7.747) 32.640 6.019 ( 0.430 0.248 0.597) 0.776 6.297 ( -5.556 -3.208 7.868) 10.152 6.944 ( -0.653 -0.377 -3.669) 3.746 7.362 ( 1.052 0.608 -13.080) 13.136 8.684 ( 1.438 0.830 -5.587) 5.828 19.240 ( 0.621 0.359 0.353) 0.800 19.425 ( 2.503 1.445 -2.123) 3.586 38.521 ( 0.683 0.394 0.164) 0.806 62.509 ( -27.753 -16.023 30.389) 44.164 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 13.854 7.998 1.434) 16.061 2.700 ( 4.945 2.855 17.384) 18.298 4.604 ( 26.235 15.147 -2.979) 30.439 6.039 ( 0.942 0.544 1.116) 1.558 6.208 ( -5.020 -2.898 7.415) 9.411 6.915 ( -0.689 -0.398 -2.136) 2.279 7.294 ( -0.020 -0.012 -19.851) 19.851 8.701 ( -0.684 -0.395 7.613) 7.654 19.254 ( 0.522 0.302 0.211) 0.639 19.468 ( 2.005 1.158 -1.586) 2.807 38.541 ( 0.807 0.466 0.885) 1.285 62.065 ( -21.084 -12.173 17.064) 29.730 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 8.645 4.991 -1.442) 10.086 2.792 ( -1.196 -0.690 5.990) 6.147 5.100 ( 19.844 11.457 -10.540) 25.222 6.068 ( 1.001 0.578 1.858) 2.189 6.144 ( -3.631 -2.096 6.944) 8.111 6.898 ( -0.281 -0.162 -0.507) 0.602 7.214 ( 1.863 1.076 -22.350) 22.453 8.708 ( -3.714 -2.144 17.520) 18.037 19.264 ( 0.298 0.172 0.025) 0.345 19.500 ( 1.383 0.798 -1.275) 2.044 38.561 ( 0.495 0.286 1.322) 1.441 61.707 ( -15.229 -8.792 5.979) 18.574 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -6.348 -3.665 -5.092) 8.925 2.878 ( 2.241 1.294 -3.760) 4.565 5.388 ( 10.766 6.216 -15.309) 19.721 6.087 ( -4.912 -2.836 7.575) 9.463 6.098 ( 0.697 0.403 2.589) 2.712 6.901 ( 0.546 0.315 0.875) 1.078 7.200 ( 5.765 3.328 -22.149) 23.128 8.694 ( -5.144 -2.970 22.780) 23.542 19.267 ( 0.004 0.002 -0.156) 0.156 19.518 ( 0.712 0.411 -1.139) 1.404 38.574 ( 0.105 0.060 1.373) 1.378 61.433 ( -9.843 -5.683 -2.092) 11.556 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -10.586 -6.112 -12.942) 17.802 2.831 ( -4.605 -2.659 -4.998) 7.298 5.449 ( 0.543 0.314 -17.497) 17.508 5.984 ( -7.157 -4.132 11.830) 14.431 6.121 ( 0.217 0.125 3.117) 3.127 6.930 ( 1.496 0.863 1.742) 2.453 7.262 ( 7.733 4.464 -21.495) 23.276 8.694 ( -3.464 -2.000 22.180) 22.538 19.263 ( -0.283 -0.163 -0.276) 0.427 19.522 ( 0.128 0.074 -1.092) 1.102 38.579 ( -0.093 -0.054 1.119) 1.124 61.246 ( -5.010 -2.893 -6.507) 8.707 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -13.985 -8.074 -16.103) 22.805 2.631 ( -11.015 -6.359 -5.122) 13.712 5.215 ( -15.825 -9.136 -10.970) 21.313 5.927 ( -2.095 -1.210 12.013) 12.254 6.135 ( -0.237 -0.137 3.492) 3.503 6.981 ( 2.132 1.231 1.932) 3.130 7.339 ( 6.738 3.890 -18.591) 20.153 8.738 ( -0.084 -0.048 15.191) 15.191 19.253 ( -0.494 -0.285 -0.295) 0.642 19.516 ( -0.258 -0.149 -1.105) 1.144 38.581 ( -0.026 -0.015 0.615) 0.616 61.151 ( -0.901 -0.520 -6.488) 6.571 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -16.196 -9.351 -13.746) 23.210 2.300 ( -16.240 -9.376 -4.471) 19.277 4.676 ( -28.767 -16.609 -1.204) 33.239 5.977 ( 1.682 0.971 9.955) 10.142 6.142 ( -0.541 -0.312 3.828) 3.879 7.038 ( 2.156 1.245 1.444) 2.878 7.399 ( 4.646 2.683 -12.268) 13.390 8.813 ( 2.719 1.570 4.211) 5.253 19.239 ( -0.595 -0.343 -0.211) 0.718 19.502 ( -0.432 -0.250 -1.282) 1.376 38.584 ( 0.163 0.094 -0.247) 0.311 61.152 ( 2.547 1.470 -0.651) 3.012 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -16.354 -9.442 -4.445) 19.400 1.873 ( -19.818 -11.442 -3.426) 23.139 3.943 ( -36.598 -21.130 6.145) 42.704 6.077 ( 3.226 1.862 9.589) 10.287 6.145 ( -0.684 -0.395 4.072) 4.148 7.085 ( 1.553 0.896 0.437) 1.845 7.433 ( 1.376 0.795 -4.645) 4.910 8.890 ( 4.658 2.689 -7.369) 9.123 19.225 ( -0.589 -0.340 -0.060) 0.683 19.485 ( -0.533 -0.308 -1.943) 2.039 38.585 ( 0.246 0.142 -1.640) 1.664 61.274 ( 6.243 3.604 13.995) 15.743 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( -0.000 17.259 8.978) 19.455 0.929 ( -0.000 29.402 12.972) 32.136 2.469 ( -0.000 10.490 57.641) 58.588 6.169 ( -0.000 2.181 2.814) 3.560 6.193 ( -0.000 7.111 -1.630) 7.295 7.027 ( 0.000 0.874 -5.149) 5.223 7.073 ( 0.000 7.089 -4.914) 8.626 8.746 ( 0.000 -4.279 -16.916) 17.448 19.203 ( -0.000 0.226 0.454) 0.507 19.239 ( 0.000 3.351 -1.349) 3.613 38.583 ( 0.000 -2.776 -0.116) 2.778 64.962 ( -0.000 -57.679 29.257) 64.675 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 23.636 16.481 7.268) 29.717 1.347 ( 9.129 24.816 17.188) 31.537 2.865 ( 4.814 13.776 46.951) 49.166 6.108 ( -5.422 2.929 0.964) 6.237 6.347 ( 5.719 1.972 1.004) 6.132 7.001 ( -0.993 1.586 -5.488) 5.798 7.174 ( 3.928 8.573 -4.392) 10.403 8.631 ( 1.793 -4.909 -19.539) 20.226 19.210 ( 0.237 0.344 0.469) 0.628 19.282 ( 1.939 2.946 -2.188) 4.150 38.544 ( -1.159 -2.082 0.104) 2.385 64.292 ( -27.731 -49.910 40.723) 70.131 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 19.511 18.300 6.427) 27.511 1.855 ( 16.747 15.462 22.409) 31.964 3.307 ( 10.290 15.268 30.740) 35.832 6.063 ( -3.443 2.295 0.944) 4.244 6.407 ( 0.350 -1.879 3.839) 4.289 6.979 ( -1.015 2.185 -5.278) 5.802 7.286 ( 2.975 4.784 -6.008) 8.236 8.562 ( 4.468 -1.794 -17.930) 18.565 19.222 ( 0.421 0.490 0.463) 0.795 19.335 ( 2.474 2.216 -2.366) 4.078 38.517 ( -0.508 -0.677 0.341) 0.913 63.542 ( -30.246 -37.655 39.720) 62.533 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 13.432 19.272 6.279) 24.316 2.361 ( 15.794 7.559 23.925) 29.648 3.784 ( 17.676 14.626 12.737) 26.241 6.046 ( -1.722 2.159 1.165) 2.997 6.372 ( -3.405 -3.472 5.870) 7.623 6.962 ( -1.417 2.943 -4.457) 5.526 7.291 ( 0.263 -0.473 -12.955) 12.967 8.596 ( 6.013 1.637 -7.837) 10.012 19.237 ( 0.478 0.624 0.405) 0.884 19.386 ( 2.560 1.591 -2.060) 3.651 38.517 ( 0.393 0.268 0.799) 0.930 62.894 ( -26.563 -28.862 30.267) 49.544 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 9.586 17.467 5.220) 20.597 2.703 ( 7.415 2.224 18.053) 19.642 4.297 ( 23.846 12.415 -1.175) 26.910 6.052 ( -0.651 1.710 1.344) 2.270 6.295 ( -4.679 -2.848 6.709) 8.661 6.950 ( -1.971 3.832 -3.150) 5.337 7.196 ( -0.392 -2.455 -19.396) 19.554 8.699 ( 4.213 1.618 4.652) 6.481 19.253 ( 0.379 0.702 0.280) 0.846 19.433 ( 2.399 1.027 -1.692) 3.110 38.537 ( 0.785 0.524 1.332) 1.632 62.345 ( -21.785 -22.360 18.650) 36.365 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 5.107 9.681 6.027) 12.495 2.821 ( -0.148 3.118 3.072) 4.380 4.789 ( 23.442 9.432 -9.425) 26.968 6.057 ( -0.232 -1.041 1.746) 2.046 6.239 ( -3.857 0.586 6.787) 7.828 6.944 ( -2.342 4.785 -1.626) 5.569 7.086 ( 1.197 -1.814 -21.550) 21.659 8.788 ( 0.497 -0.940 14.426) 14.466 19.265 ( 0.139 0.694 0.104) 0.715 19.471 ( 2.002 0.491 -1.440) 2.515 38.561 ( 0.648 0.293 1.650) 1.796 61.887 ( -16.705 -16.796 7.928) 24.980 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -4.156 -8.238 -2.987) 9.699 2.947 ( -1.779 15.425 -2.567) 15.738 5.154 ( 16.324 6.114 -14.624) 22.753 6.042 ( 0.449 -4.582 3.569) 5.826 6.230 ( -3.699 3.626 6.266) 8.129 6.951 ( -2.374 5.454 -0.037) 5.949 7.030 ( 4.847 0.261 -21.350) 21.895 8.821 ( -2.710 -4.023 20.474) 21.040 19.271 ( -0.181 0.598 -0.080) 0.629 19.496 ( 1.429 0.029 -1.323) 1.948 38.577 ( 0.283 -0.101 1.611) 1.639 61.526 ( -11.516 -11.649 -0.274) 16.383 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -7.858 -9.613 -11.583) 16.980 2.983 ( -8.660 12.753 -4.159) 15.967 5.321 ( 6.867 2.229 -17.356) 18.798 6.011 ( -0.553 -6.948 7.045) 9.911 6.227 ( -4.490 4.214 6.331) 8.832 6.971 ( -1.512 5.286 0.754) 5.550 7.068 ( 8.143 3.275 -20.755) 22.535 8.810 ( -3.461 -6.258 22.079) 23.208 19.270 ( -0.496 0.442 -0.212) 0.697 19.508 ( 0.805 -0.289 -1.294) 1.551 38.583 ( 0.007 -0.389 1.253) 1.312 61.271 ( -6.462 -6.923 -4.875) 10.652 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -10.981 -9.708 -14.337) 20.504 2.866 ( -15.801 10.000 -4.955) 19.344 5.265 ( -4.727 -3.551 -15.781) 16.852 5.957 ( -1.368 -7.514 11.623) 13.908 6.221 ( -3.860 3.813 5.537) 7.752 7.008 ( -0.592 4.897 1.109) 5.056 7.168 ( 8.608 5.951 -19.623) 22.240 8.790 ( -1.509 -7.037 18.312) 19.676 19.262 ( -0.729 0.274 -0.247) 0.817 19.508 ( 0.260 -0.423 -1.327) 1.417 38.582 ( -0.036 -0.451 0.639) 0.783 61.132 ( -1.753 -2.807 -4.960) 5.963 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -13.662 -8.557 -10.809) 19.409 2.607 ( -22.028 7.206 -4.583) 23.626 4.937 ( -19.454 -10.736 -7.559) 23.470 5.949 ( 2.226 -5.955 12.000) 13.580 6.218 ( -2.942 2.892 4.181) 5.874 7.052 ( -0.031 3.910 0.852) 4.001 7.291 ( 6.811 7.872 -15.448) 18.628 8.786 ( 1.310 -6.248 9.596) 11.525 19.249 ( -0.841 0.136 -0.174) 0.870 19.498 ( -0.147 -0.392 -1.492) 1.550 38.579 ( 0.064 -0.339 -0.274) 0.440 61.117 ( 2.685 0.565 0.562) 2.801 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -15.002 -5.866 -0.222) 16.109 2.234 ( -26.617 4.845 -3.285) 27.253 4.360 ( -30.981 -15.511 1.384) 34.675 6.013 ( 4.987 -4.762 11.057) 13.031 6.215 ( -2.009 1.791 3.245) 4.216 7.086 ( 0.144 2.390 0.088) 2.396 7.403 ( 3.481 7.243 -8.640) 11.799 8.796 ( 3.527 -3.505 -1.845) 5.304 19.235 ( -0.837 0.047 -0.026) 0.839 19.482 ( -0.495 -0.283 -1.994) 2.074 38.575 ( 0.087 -0.196 -1.569) 1.583 61.250 ( 7.698 3.296 13.375) 15.780 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.000 22.809 7.800) 24.105 1.607 ( -0.000 23.295 22.026) 32.059 3.172 ( -0.000 16.020 39.502) 42.627 6.233 ( -0.000 1.661 2.915) 3.355 6.279 ( 0.000 3.315 -2.389) 4.086 6.997 ( 0.000 1.020 -5.749) 5.839 7.223 ( 0.000 10.815 -5.184) 11.993 8.472 ( 0.000 -5.713 -17.907) 18.797 19.213 ( -0.000 0.360 0.463) 0.586 19.287 ( 0.000 3.092 -1.897) 3.628 38.534 ( 0.000 -2.025 0.450) 2.074 64.157 ( -0.000 -54.507 36.140) 65.400 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 18.925 21.217 6.833) 29.241 1.957 ( 4.800 17.036 26.403) 31.786 3.497 ( 2.058 16.213 26.342) 31.000 6.172 ( -5.617 2.504 0.685) 6.188 6.367 ( 3.926 -0.509 1.003) 4.084 6.983 ( 0.078 1.578 -5.696) 5.911 7.285 ( 0.008 4.982 -7.175) 8.735 8.399 ( 3.946 0.217 -14.582) 15.108 19.222 ( 0.343 0.452 0.461) 0.731 19.318 ( 1.153 2.602 -1.885) 3.413 38.518 ( -0.264 -0.855 0.869) 1.247 63.665 ( -14.733 -47.984 33.515) 60.355 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 20.387 21.544 5.529) 30.172 2.317 ( 8.731 7.847 28.162) 30.511 3.786 ( 5.477 13.845 10.640) 18.300 6.122 ( -3.621 2.515 1.035) 4.528 6.393 ( -0.021 -2.516 3.338) 4.180 6.982 ( 0.242 2.548 -5.483) 6.051 7.236 ( -1.741 -2.209 -12.649) 12.958 8.485 ( 6.810 6.757 -5.981) 11.305 19.237 ( 0.535 0.644 0.452) 0.952 19.357 ( 1.763 1.888 -1.769) 3.131 38.520 ( 0.178 0.245 1.334) 1.368 63.077 ( -19.107 -39.628 27.130) 51.687 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 9.289 19.564 11.252) 24.406 2.638 ( 11.919 2.001 17.110) 20.948 4.072 ( 13.535 10.208 -2.968) 17.211 6.102 ( -2.241 1.874 1.324) 3.207 6.362 ( -2.596 -2.130 5.397) 6.356 6.984 ( 0.261 2.074 -7.567) 7.851 7.110 ( -2.067 -2.073 -14.662) 14.951 8.665 ( 5.841 7.014 3.759) 9.871 19.256 ( 0.474 0.885 0.395) 1.079 19.397 ( 2.065 1.100 -1.591) 2.829 38.538 ( 0.551 0.659 1.730) 1.932 62.507 ( -18.573 -31.860 18.171) 41.112 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 2.938 -8.367 15.675) 18.010 2.948 ( 3.771 23.597 -0.703) 23.907 4.433 ( 22.024 7.093 -9.619) 25.058 6.078 ( -2.281 -0.788 1.475) 2.828 6.334 ( -2.753 0.983 6.499) 7.126 6.930 ( 1.471 -3.100 -18.969) 19.277 7.051 ( -2.501 5.921 -3.895) 7.516 8.823 ( 2.490 3.064 11.592) 12.246 19.273 ( 0.178 1.078 0.272) 1.126 19.433 ( 2.103 0.338 -1.446) 2.574 38.562 ( 0.536 0.430 1.897) 2.018 62.000 ( -15.739 -24.516 9.005) 30.493 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -2.015 -12.529 0.426) 12.698 3.184 ( -3.083 23.828 -0.564) 24.034 4.825 ( 21.630 5.083 -12.913) 25.699 6.028 ( -1.824 -3.387 2.862) 4.794 6.342 ( -2.442 3.058 6.284) 7.403 6.859 ( 3.774 -1.676 -19.714) 20.142 7.065 ( -2.945 8.110 -1.443) 8.748 8.901 ( -1.210 -2.432 16.895) 17.112 19.284 ( -0.254 1.134 0.113) 1.167 19.461 ( 1.881 -0.260 -1.367) 2.340 38.578 ( 0.255 -0.098 1.748) 1.770 61.585 ( -11.724 -17.399 1.493) 21.034 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -5.419 -11.424 -9.071) 15.561 3.297 ( -9.281 21.316 -1.585) 23.303 5.104 ( 13.369 3.185 -16.055) 21.134 5.987 ( -0.532 -4.959 5.727) 7.594 6.351 ( -2.975 2.365 5.385) 6.591 6.866 ( 7.011 1.463 -16.999) 18.446 7.093 ( -3.022 9.200 -1.467) 9.794 8.889 ( -3.466 -7.772 19.317) 21.108 19.287 ( -0.683 1.023 -0.021) 1.230 19.479 ( 1.450 -0.583 -1.340) 2.058 38.584 ( -0.016 -0.564 1.327) 1.442 61.284 ( -7.164 -10.702 -3.032) 13.231 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -8.217 -8.305 -11.584) 16.452 3.267 ( -16.082 18.348 -2.792) 24.558 5.186 ( 3.017 0.011 -17.110) 17.374 5.957 ( -0.886 -6.049 9.674) 11.444 6.332 ( -3.268 0.711 3.611) 4.921 6.969 ( 8.576 4.644 -12.057) 15.507 7.132 ( -1.994 10.394 -3.832) 11.256 8.818 ( -3.094 -11.589 18.336) 21.911 19.281 ( -0.992 0.797 -0.073) 1.275 19.487 ( 0.906 -0.605 -1.354) 1.738 38.580 ( -0.099 -0.755 0.716) 1.045 61.111 ( -2.444 -4.832 -3.591) 6.497 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -10.937 -4.160 -7.262) 13.772 3.088 ( -22.662 14.974 -3.110) 27.340 5.049 ( -8.723 -4.749 -13.769) 16.978 5.932 ( -0.493 -5.964 12.932) 14.249 6.294 ( -2.528 -0.342 1.357) 2.890 7.089 ( 2.439 4.276 -1.775) 5.233 7.221 ( 3.945 12.969 -11.971) 18.085 8.737 ( -0.467 -12.569 13.565) 18.499 19.269 ( -1.134 0.544 -0.024) 1.258 19.486 ( 0.347 -0.402 -1.450) 1.544 38.573 ( -0.040 -0.668 -0.073) 0.673 61.078 ( 2.385 -0.180 0.638) 2.475 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -12.845 0.566 3.339) 13.284 2.775 ( -27.854 11.446 -2.166) 30.192 4.677 ( -21.620 -8.911 -6.397) 24.243 5.954 ( 2.460 -4.673 13.344) 14.351 6.255 ( -1.500 -1.103 -0.235) 1.877 7.125 ( -1.231 3.083 0.297) 3.333 7.377 ( 4.984 11.546 -11.353) 16.942 8.688 ( 2.691 -9.360 5.411) 11.142 19.254 ( -1.123 0.333 0.098) 1.176 19.478 ( -0.211 -0.097 -1.751) 1.766 38.565 ( -0.042 -0.440 -1.081) 1.167 61.201 ( 7.839 2.982 10.440) 13.392 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.000 21.623 6.869) 22.688 2.195 ( -0.000 11.948 31.125) 33.340 3.737 ( -0.000 15.928 14.849) 21.776 6.281 ( -0.000 0.876 2.037) 2.218 6.292 ( 0.000 0.310 -1.777) 1.804 6.967 ( 0.000 1.181 -5.591) 5.714 7.274 ( 0.000 -1.738 -9.512) 9.669 8.352 ( 0.000 9.138 -8.644) 12.579 19.225 ( -0.000 0.398 0.423) 0.581 19.327 ( 0.000 2.566 -1.558) 3.001 38.519 ( -0.000 -0.254 1.320) 1.344 63.439 ( -0.000 -49.270 28.584) 56.961 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 17.447 19.430 5.665) 26.721 2.439 ( 2.122 4.125 33.133) 33.456 3.916 ( -0.279 13.780 1.468) 13.861 6.213 ( -4.307 1.173 0.443) 4.486 6.356 ( 3.012 -1.261 1.015) 3.419 6.962 ( 0.688 1.149 -5.588) 5.746 7.167 ( -1.007 -6.669 -12.008) 13.772 8.489 ( 3.229 15.938 -1.851) 16.367 19.235 ( 0.518 0.465 0.416) 0.811 19.350 ( 0.645 2.141 -1.359) 2.616 38.528 ( 0.090 0.556 1.729) 1.819 63.008 ( -8.853 -44.953 23.167) 51.340 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 22.371 15.991 4.368) 27.843 2.625 ( 3.215 -2.267 29.535) 29.796 4.025 ( 1.897 11.008 -8.859) 14.257 6.168 ( -3.011 0.905 1.231) 3.376 6.381 ( 0.748 -1.157 2.732) 3.060 6.920 ( -0.825 -4.303 -11.831) 12.616 7.075 ( 1.090 0.179 -7.562) 7.643 8.710 ( 3.108 15.261 4.159) 16.121 19.255 ( 0.825 0.695 0.430) 1.161 19.376 ( 1.027 1.424 -1.249) 2.155 38.547 ( 0.270 0.922 1.987) 2.207 62.503 ( -12.413 -38.160 16.464) 43.375 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 2.193 -13.888 16.859) 21.952 3.041 ( 15.616 22.269 4.991) 27.653 4.163 ( 10.480 7.546 -12.103) 17.699 6.125 ( -3.178 -0.860 1.632) 3.674 6.399 ( -0.355 1.275 4.791) 4.971 6.790 ( 0.117 -5.350 -16.935) 17.760 7.107 ( 1.179 5.125 -3.490) 6.312 8.899 ( 0.664 9.816 8.938) 13.293 19.279 ( 0.695 1.075 0.431) 1.350 19.400 ( 1.337 0.511 -1.223) 1.883 38.569 ( 0.246 0.675 1.988) 2.114 62.012 ( -12.453 -30.216 9.321) 33.985 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -0.751 -16.361 4.252) 16.921 3.452 ( 2.840 25.311 2.947) 25.640 4.437 ( 21.010 3.469 -11.579) 24.239 6.058 ( -3.521 -2.508 2.367) 4.928 6.428 ( -1.621 2.213 5.394) 6.051 6.699 ( 3.172 -2.354 -17.069) 17.520 7.165 ( -0.165 7.265 -2.357) 7.639 8.989 ( -2.554 2.096 12.292) 12.728 19.300 ( 0.104 1.446 0.386) 1.500 19.420 ( 1.641 -0.363 -1.245) 2.092 38.583 ( 0.019 0.059 1.715) 1.716 61.591 ( -10.317 -21.783 3.076) 24.298 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -2.597 -13.051 -4.997) 14.214 3.663 ( -6.965 23.806 1.897) 24.876 4.780 ( 20.645 2.549 -13.084) 24.575 5.990 ( -2.356 -3.708 4.313) 6.156 6.415 ( -2.128 -0.784 0.586) 2.342 6.719 ( 5.709 3.316 -10.182) 12.135 7.219 ( -1.577 8.821 -2.455) 9.291 8.963 ( -5.054 -6.031 14.209) 16.242 19.312 ( -0.666 1.511 0.295) 1.678 19.438 ( 1.790 -0.811 -1.256) 2.332 38.586 ( -0.210 -0.546 1.246) 1.377 61.275 ( -6.914 -13.540 -1.060) 15.240 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -4.318 -6.826 -7.879) 11.284 3.707 ( -13.645 19.758 0.784) 24.025 5.014 ( 10.595 2.758 -15.847) 19.261 5.952 ( -0.378 -4.843 7.821) 9.207 6.362 ( -1.335 -2.625 -2.802) 4.065 6.851 ( 7.192 7.121 -4.216) 10.964 7.262 ( -2.468 10.016 -3.884) 11.023 8.841 ( -5.463 -12.824 14.729) 20.279 19.310 ( -1.207 1.180 0.216) 1.702 19.454 ( 1.560 -0.679 -1.249) 2.110 38.578 ( -0.269 -0.858 0.698) 1.138 61.089 ( -2.823 -6.244 -2.167) 7.187 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -6.501 -0.034 -4.337) 7.815 3.595 ( -19.799 14.782 -0.067) 24.708 5.044 ( -1.093 1.647 -16.261) 16.381 5.944 ( -0.141 -5.127 11.628) 12.709 6.301 ( -0.921 -2.867 -3.573) 4.673 7.042 ( 7.118 7.727 -0.909) 10.545 7.300 ( -2.031 11.275 -7.548) 13.719 8.683 ( -2.974 -16.289 13.717) 21.502 19.297 ( -1.406 0.717 0.209) 1.592 19.466 ( 1.004 -0.223 -1.276) 1.639 38.568 ( -0.175 -0.814 0.119) 0.842 61.042 ( 1.727 -0.572 0.403) 1.863 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -8.666 5.757 4.396) 11.295 3.331 ( -25.096 9.348 0.025) 26.780 4.871 ( -12.476 0.143 -12.924) 17.964 5.954 ( 0.303 -4.177 13.992) 14.605 6.244 ( -0.658 -2.712 -3.629) 4.578 7.175 ( 0.401 3.445 2.184) 4.099 7.372 ( 2.600 12.345 -12.992) 18.109 8.572 ( 1.668 -13.942 10.582) 17.583 19.280 ( -1.373 0.348 0.266) 1.441 19.471 ( 0.298 0.281 -1.416) 1.474 38.558 ( -0.121 -0.540 -0.515) 0.756 61.142 ( 6.920 2.960 7.033) 10.301 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.000 17.322 5.214) 18.090 2.577 ( -0.000 -4.326 35.191) 35.456 4.040 ( 0.000 13.191 -8.470) 15.676 6.271 ( 0.000 -1.355 -0.176) 1.366 6.305 ( -0.000 0.420 0.704) 0.820 6.947 ( 0.000 1.438 -4.601) 4.820 7.036 ( 0.000 -9.561 -11.460) 14.925 8.655 ( -0.000 21.734 1.794) 21.808 19.236 ( -0.000 0.355 0.364) 0.508 19.361 ( 0.000 2.070 -0.990) 2.295 38.543 ( -0.000 1.014 1.992) 2.236 62.731 ( -0.000 -44.552 18.929) 48.406 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 16.542 14.002 4.213) 22.078 2.652 ( 1.442 -12.462 31.304) 33.724 4.100 ( -1.570 12.706 -13.406) 18.537 6.224 ( -2.717 -0.708 1.208) 3.057 6.345 ( 2.822 -0.369 0.339) 2.866 6.853 ( -3.217 -6.502 -10.133) 12.462 6.998 ( 4.272 0.323 -4.963) 6.556 8.887 ( 0.008 21.048 4.391) 21.502 19.247 ( 0.736 0.394 0.352) 0.906 19.378 ( 0.188 1.669 -0.751) 1.840 38.564 ( 0.057 1.196 2.060) 2.383 62.338 ( -5.568 -39.899 14.174) 42.706 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 2.335 -15.268 15.372) 21.791 2.879 ( 23.726 9.904 9.306) 27.342 4.139 ( -0.847 11.856 -11.711) 16.686 6.176 ( -3.007 -1.268 2.092) 3.876 6.401 ( 3.235 1.303 1.193) 3.686 6.692 ( -2.783 -5.648 -11.760) 13.339 7.076 ( 4.883 2.746 -3.310) 6.507 9.075 ( -2.372 15.520 6.043) 16.823 19.271 ( 1.287 0.609 0.363) 1.469 19.391 ( 0.176 1.002 -0.648) 1.206 38.584 ( -0.040 0.887 1.880) 2.079 61.917 ( -7.892 -32.533 9.087) 34.688 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -0.587 -19.185 7.764) 20.705 3.472 ( 24.277 16.218 5.324) 29.677 4.210 ( 3.524 7.734 -8.489) 12.012 6.112 ( -3.935 -1.910 2.521) 5.048 6.486 ( 0.860 2.880 4.502) 5.413 6.559 ( 1.145 -3.454 -14.376) 14.829 7.176 ( 4.222 4.306 -2.556) 6.550 9.148 ( -5.654 7.131 6.892) 11.416 19.304 ( 1.328 1.058 0.408) 1.746 19.397 ( 0.242 0.114 -0.696) 0.745 38.594 ( -0.279 0.226 1.478) 1.521 61.536 ( -7.703 -23.737 4.365) 25.334 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -0.584 -13.981 0.082) 13.993 3.963 ( 4.379 22.491 6.405) 23.792 4.373 ( 18.890 -0.346 -9.685) 21.231 6.032 ( -4.219 -2.504 3.013) 5.758 6.418 ( -2.389 -2.967 -7.158) 8.109 6.644 ( 5.879 5.482 -0.355) 8.046 7.272 ( 2.608 5.645 -2.593) 6.737 9.083 ( -8.413 -2.257 7.276) 11.350 19.336 ( 0.341 1.724 0.572) 1.848 19.398 ( 0.951 -0.886 -0.941) 1.605 38.592 ( -0.493 -0.448 0.971) 1.178 61.244 ( -5.799 -14.719 0.854) 15.844 ======================= Grid point 555 (210/344) ======================= q-point: (-0.27 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -0.542 -5.536 -3.275) 6.455 4.095 ( -10.135 15.009 4.490) 18.659 4.726 ( 21.042 4.694 -10.876) 24.148 5.957 ( -2.548 -3.815 4.556) 6.465 6.329 ( -1.189 -2.773 -6.688) 7.337 6.815 ( 6.019 7.730 2.566) 10.127 7.348 ( 0.704 6.879 -3.660) 7.824 8.897 ( -9.302 -10.839 7.714) 16.233 19.345 ( -1.292 1.356 0.576) 1.960 19.411 ( 2.047 -0.683 -1.047) 2.398 38.579 ( -0.518 -0.830 0.499) 1.098 61.067 ( -2.809 -6.625 -0.706) 7.230 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -1.418 2.788 -1.907) 3.663 4.006 ( -14.568 6.768 2.716) 16.291 4.985 ( 6.804 9.467 -13.291) 17.679 5.925 ( 0.966 -5.262 7.546) 9.250 6.263 ( -0.670 -2.320 -5.109) 5.651 7.015 ( 6.296 8.452 3.497) 11.104 7.397 ( -1.023 8.040 -6.162) 10.181 8.653 ( -6.967 -16.612 8.860) 20.075 19.330 ( -1.575 0.403 0.401) 1.674 19.438 ( 1.672 0.280 -0.957) 1.947 38.565 ( -0.349 -0.819 0.137) 0.900 61.015 ( 0.923 -0.395 0.225) 1.029 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -3.169 8.761 3.471) 9.942 3.762 ( -19.125 -0.047 1.693) 19.200 5.023 ( -6.576 11.138 -13.645) 18.802 5.947 ( 2.538 -4.914 10.058) 11.478 6.212 ( -0.784 -2.017 -3.423) 4.050 7.191 ( 3.563 5.015 3.015) 6.851 7.418 ( -1.459 9.077 -11.316) 14.580 8.460 ( -0.605 -16.392 10.956) 19.726 19.307 ( -1.468 -0.059 0.359) 1.512 19.461 ( 0.889 0.878 -1.013) 1.609 38.554 ( -0.172 -0.523 -0.136) 0.567 61.092 ( 5.361 3.318 3.932) 7.431 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.000 11.842 3.820) 12.442 2.605 ( -0.000 -20.937 27.360) 34.452 4.184 ( 0.000 13.200 -12.480) 18.166 6.244 ( -0.000 -2.042 1.914) 2.799 6.312 ( 0.000 0.412 -0.682) 0.797 6.783 ( 0.000 -6.333 -9.105) 11.091 6.943 ( 0.000 1.622 -3.172) 3.563 9.121 ( -0.000 21.180 3.958) 21.547 19.245 ( -0.000 0.251 0.309) 0.398 19.390 ( -0.000 1.572 -0.334) 1.607 38.585 ( -0.000 1.233 1.923) 2.284 62.060 ( -0.000 -37.177 11.449) 38.900 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 1.102 -13.625 12.919) 18.808 2.605 ( 16.899 -1.141 10.212) 19.778 4.250 ( -1.789 12.670 -7.146) 14.656 6.216 ( -1.996 -1.597 2.900) 3.865 6.345 ( 3.496 0.553 -1.326) 3.779 6.661 ( -3.395 -3.822 -7.904) 9.413 6.993 ( 4.890 1.723 -2.732) 5.860 9.303 ( -2.767 16.499 2.891) 16.977 19.256 ( 0.934 0.249 0.279) 1.006 19.402 ( -0.205 1.218 -0.043) 1.236 38.602 ( -0.149 0.876 1.572) 1.806 61.737 ( -3.408 -30.981 8.352) 32.268 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( -0.978 -20.444 10.661) 23.077 3.102 ( 30.099 6.646 3.875) 31.067 4.309 ( -2.920 11.218 -1.183) 11.652 6.172 ( -3.345 -1.318 3.482) 5.005 6.420 ( 5.222 0.477 -5.220) 7.399 6.545 ( -3.307 -0.653 -3.192) 4.642 7.100 ( 6.473 2.198 -2.419) 7.251 9.358 ( -6.823 8.824 1.441) 11.247 19.283 ( 1.739 0.339 0.192) 1.782 19.405 ( -0.590 0.752 0.158) 0.969 38.609 ( -0.442 0.223 1.072) 1.181 61.433 ( -4.656 -22.679 5.168) 23.722 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.296 -13.867 5.229) 14.823 3.723 ( 33.494 5.969 0.879) 34.033 4.353 ( -4.672 9.498 3.647) 11.195 6.106 ( -4.831 -1.162 3.135) 5.875 6.385 ( -1.518 -2.328 -10.241) 10.612 6.611 ( 5.450 5.256 4.235) 8.675 7.222 ( 6.214 2.585 -2.370) 7.135 9.255 ( -10.652 0.019 0.041) 10.652 19.322 ( 2.263 0.433 -0.016) 2.305 19.398 ( -1.034 0.357 0.335) 1.144 38.601 ( -0.700 -0.437 0.556) 0.995 61.195 ( -4.174 -13.767 2.375) 14.581 ======================= Grid point 570 (217/344) ======================= q-point: (-0.27 -0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 1.966 -4.600 1.501) 5.223 4.248 ( 16.896 -5.013 -6.976) 18.955 4.430 ( 6.129 17.292 10.524) 21.150 6.014 ( -5.549 -1.599 1.967) 6.101 6.299 ( -1.472 -1.740 -7.017) 7.378 6.801 ( 6.711 7.486 5.053) 11.251 7.333 ( 4.864 2.916 -2.576) 6.229 9.011 ( -12.845 -8.182 -0.731) 15.246 19.364 ( 2.365 -0.412 -0.701) 2.500 19.383 ( -1.350 1.044 0.885) 1.922 38.584 ( -0.741 -0.812 0.167) 1.112 61.050 ( -2.457 -5.666 0.501) 6.196 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 2.827 3.764 0.064) 4.708 4.202 ( -5.878 -5.957 0.305) 8.374 4.878 ( 15.723 15.181 -0.390) 21.859 5.917 ( -3.596 -3.117 1.729) 5.063 6.241 ( -0.937 -1.221 -3.783) 4.084 7.014 ( 6.122 8.532 4.894) 11.585 7.419 ( 2.927 3.579 -2.847) 5.430 8.682 ( -11.869 -14.213 0.094) 18.517 19.354 ( -0.953 -0.967 0.030) 1.358 19.413 ( 1.543 1.596 -0.031) 2.220 38.565 ( -0.527 -0.786 -0.014) 0.946 61.007 ( 0.154 0.506 0.017) 0.530 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 2.371 9.142 1.303) 9.534 3.977 ( -11.660 -10.133 0.944) 15.477 5.174 ( 1.662 17.111 -6.411) 18.348 5.872 ( 2.197 -5.095 3.522) 6.572 6.206 ( -0.905 -0.947 -0.664) 1.468 7.190 ( 3.781 5.778 1.331) 7.033 7.472 ( -0.190 5.271 -4.705) 7.068 8.384 ( -5.292 -15.819 4.900) 17.385 19.327 ( -1.142 -0.874 0.195) 1.451 19.452 ( 1.183 1.615 -0.404) 2.042 38.552 ( -0.222 -0.464 -0.008) 0.514 61.064 ( 3.537 4.048 1.251) 5.519 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.000 -24.813 16.843) 29.990 2.475 ( -0.000 6.604 3.619) 7.531 4.364 ( -0.000 11.334 -1.286) 11.406 6.235 ( -0.000 -1.427 4.171) 4.408 6.309 ( 0.000 0.437 -1.921) 1.970 6.634 ( 0.000 -1.785 -7.032) 7.255 6.952 ( 0.000 1.595 -1.911) 2.489 9.482 ( -0.000 12.853 -0.370) 12.859 19.251 ( -0.000 0.104 0.269) 0.289 19.417 ( -0.000 1.082 0.400) 1.153 38.617 ( -0.000 0.537 1.110) 1.234 61.518 ( -0.000 -26.008 7.060) 26.949 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -1.312 -20.014 12.928) 23.863 2.726 ( 20.062 3.480 4.046) 20.760 4.460 ( -1.617 9.738 4.302) 10.768 6.227 ( -2.034 -0.657 5.041) 5.475 6.332 ( 3.019 0.134 -3.512) 4.633 6.575 ( -2.044 0.601 -4.463) 4.945 7.006 ( 4.964 1.537 -1.838) 5.511 9.531 ( -4.634 6.343 -3.478) 8.591 19.261 ( 1.025 0.046 0.205) 1.047 19.425 ( -0.438 0.803 0.728) 1.169 38.620 ( -0.342 -0.042 0.589) 0.682 61.307 ( -1.937 -18.748 5.237) 19.562 ======================= Grid point 584 (222/344) ======================= q-point: (-0.33 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 0.375 -12.763 9.261) 15.774 3.206 ( 30.644 1.181 2.458) 30.765 4.537 ( -3.010 8.150 8.894) 12.433 6.194 ( -4.144 -0.111 4.496) 6.116 6.337 ( 0.314 -1.194 -7.721) 7.819 6.598 ( 3.474 4.530 2.357) 6.176 7.115 ( 6.892 1.356 -2.061) 7.321 9.414 ( -9.587 -1.086 -6.061) 11.394 19.287 ( 1.847 -0.056 -0.012) 1.848 19.424 ( -0.899 0.609 1.001) 1.477 38.610 ( -0.686 -0.607 0.134) 0.926 61.143 ( -2.484 -10.694 3.092) 11.406 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.959 -4.470 5.170) 7.448 3.739 ( 30.658 -3.047 -1.548) 30.848 4.609 ( -2.157 7.603 13.141) 15.335 6.119 ( -6.285 0.134 1.016) 6.368 6.279 ( -1.232 -1.398 -5.480) 5.788 6.777 ( 7.473 7.575 5.382) 11.924 7.236 ( 6.962 0.899 -1.897) 7.272 9.143 ( -13.424 -7.656 -7.760) 17.293 19.319 ( 2.121 -0.460 -0.411) 2.209 19.418 ( -1.061 0.831 1.262) 1.846 38.589 ( -0.818 -0.896 -0.137) 1.221 61.046 ( -1.919 -3.343 0.995) 3.981 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 5.401 2.429 1.242) 6.051 4.049 ( 12.877 -10.519 -3.911) 17.081 4.805 ( 9.838 9.619 13.541) 19.304 6.000 ( -7.109 0.026 -2.520) 7.542 6.232 ( -0.902 -1.272 -1.864) 2.430 7.012 ( 6.922 9.261 4.938) 12.572 7.350 ( 6.350 0.526 0.225) 6.376 8.766 ( -14.741 -11.909 -8.106) 20.611 19.337 ( 1.065 -1.271 -0.562) 1.750 19.424 ( -0.128 1.603 1.133) 1.967 38.567 ( -0.649 -0.799 -0.170) 1.044 61.021 ( -0.479 2.138 -0.596) 2.271 ======================= Grid point 598 (225/344) ======================= q-point: (-0.40 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -0.000 -16.989 13.652) 21.795 2.591 ( -0.000 1.611 4.331) 4.621 4.589 ( -0.000 7.978 8.779) 11.862 6.268 ( -0.000 -0.151 6.521) 6.523 6.295 ( 0.000 0.224 -2.862) 2.871 6.581 ( 0.000 1.838 -5.112) 5.432 6.969 ( 0.000 1.465 -1.142) 1.858 9.586 ( 0.000 1.233 -7.537) 7.637 19.254 ( -0.000 -0.073 0.238) 0.249 19.440 ( -0.000 0.589 1.113) 1.259 38.623 ( -0.000 -0.491 0.145) 0.512 61.189 ( -0.000 -12.779 4.393) 13.513 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.065 -11.195 11.299) 15.906 2.785 ( 19.269 -1.412 4.257) 19.784 4.691 ( -1.581 6.029 12.090) 13.602 6.272 ( -2.277 0.285 2.331) 3.271 6.294 ( 0.472 -0.670 -1.041) 1.325 6.601 ( 1.806 4.550 -0.808) 4.961 7.019 ( 4.535 1.310 -1.313) 4.900 9.483 ( -5.595 -4.505 -10.441) 12.673 19.262 ( 0.972 -0.183 0.144) 0.999 19.446 ( -0.461 0.370 1.386) 1.507 38.612 ( -0.417 -0.907 -0.153) 1.010 61.103 ( -1.055 -6.070 2.668) 6.713 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 2.661 -5.527 6.859) 9.202 3.191 ( 28.652 -4.975 2.413) 29.180 4.760 ( -2.323 3.227 14.320) 14.862 6.208 ( -4.231 -0.158 -5.787) 7.171 6.277 ( -1.699 -1.350 2.863) 3.592 6.751 ( 7.039 8.336 4.922) 11.969 7.120 ( 6.432 0.801 -1.404) 6.632 9.225 ( -10.730 -9.055 -12.046) 18.500 19.281 ( 1.584 -0.414 -0.110) 1.641 19.445 ( -0.712 0.370 1.558) 1.753 38.591 ( -0.684 -1.060 -0.243) 1.285 61.060 ( -1.327 -0.011 0.353) 1.373 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 6.125 -1.133 1.468) 6.400 3.598 ( 25.195 -10.130 -0.723) 27.165 4.830 ( 1.904 0.743 15.768) 15.900 6.088 ( -5.404 -0.540 -8.863) 10.394 6.243 ( -2.110 -1.561 3.372) 4.273 7.008 ( 7.766 10.814 5.742) 14.500 7.236 ( 7.332 0.002 1.347) 7.455 8.857 ( -14.105 -10.930 -12.433) 21.749 19.301 ( 1.475 -0.871 -0.375) 1.753 19.447 ( -0.434 0.740 1.511) 1.737 38.569 ( -0.656 -0.859 -0.127) 1.088 61.059 ( -0.912 4.299 -2.040) 4.845 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.000 -9.446 10.715) 14.284 2.608 ( -0.000 -4.183 4.744) 6.325 4.811 ( -0.000 3.595 13.794) 14.255 6.268 ( 0.000 -0.056 -3.401) 3.402 6.316 ( -0.000 -0.893 3.455) 3.568 6.632 ( -0.000 6.177 1.363) 6.326 6.989 ( 0.000 1.498 -0.743) 1.672 9.416 ( 0.000 -8.282 -12.856) 15.292 19.252 ( -0.000 -0.267 0.201) 0.334 19.458 ( -0.000 0.067 1.650) 1.651 38.604 ( 0.000 -1.161 -0.219) 1.182 61.086 ( -0.000 -0.904 1.013) 1.358 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 1.336 -7.561 6.930) 10.343 2.736 ( 18.307 -7.734 4.224) 20.318 4.872 ( -1.797 -0.781 13.942) 14.079 6.221 ( -2.884 -0.898 -7.328) 7.926 6.307 ( -0.433 -1.784 2.073) 2.769 6.764 ( 4.498 9.736 7.390) 13.024 7.036 ( 3.858 1.364 -0.756) 4.161 9.213 ( -5.842 -10.644 -13.358) 18.051 19.257 ( 0.816 -0.406 0.096) 0.916 19.463 ( -0.325 -0.090 1.803) 1.834 38.589 ( -0.370 -1.179 -0.070) 1.238 61.093 ( -0.705 3.633 -1.600) 4.032 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.975 -5.996 1.367) 7.910 3.050 ( 26.166 -11.771 2.445) 28.795 4.867 ( -1.105 -6.547 13.584) 15.120 6.100 ( -4.136 -1.969 -11.979) 12.825 6.282 ( -1.676 -2.031 3.064) 4.040 7.022 ( 7.307 12.347 8.732) 16.796 7.129 ( 6.215 0.875 1.303) 6.410 8.910 ( -10.678 -10.207 -12.462) 19.326 19.270 ( 1.197 -0.665 -0.119) 1.375 19.464 ( -0.321 0.033 1.777) 1.806 38.571 ( -0.520 -0.884 0.213) 1.047 61.115 ( -1.050 6.575 -4.547) 8.063 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.000 -9.614 5.677) 11.165 2.500 ( -0.000 -11.139 4.182) 11.898 4.909 ( -0.000 -7.317 11.596) 13.711 6.234 ( 0.000 -0.248 -3.643) 3.651 6.259 ( 0.000 -2.706 -7.250) 7.739 6.871 ( -0.000 11.314 12.473) 16.840 7.016 ( 0.000 1.776 -0.469) 1.837 9.100 ( 0.000 -10.832 -11.998) 16.164 19.247 ( -0.000 -0.457 0.150) 0.481 19.471 ( -0.000 -0.398 1.979) 2.018 38.581 ( -0.000 -1.104 0.322) 1.150 61.137 ( 0.000 6.703 -4.611) 8.136 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.211 -10.794 1.960) 11.191 2.552 ( 17.689 -14.702 3.618) 23.284 4.829 ( -0.867 -15.988 8.567) 18.159 6.113 ( -5.590 -1.261 -11.411) 12.769 6.264 ( 1.903 -1.643 -2.329) 3.427 7.059 ( 2.908 1.860 -0.133) 3.454 7.093 ( 5.209 12.291 13.512) 18.994 8.908 ( -5.614 -8.474 -8.923) 13.525 19.248 ( 0.629 -0.589 0.054) 0.863 19.474 ( -0.136 -0.449 2.012) 2.066 38.572 ( -0.274 -0.770 0.769) 1.122 61.177 ( -0.763 8.386 -7.927) 11.565 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.000 -14.305 2.629) 14.545 2.247 ( 0.000 -18.005 3.319) 18.309 4.650 ( 0.000 -26.637 2.535) 26.757 6.135 ( 0.000 0.214 -12.137) 12.139 6.194 ( 0.000 -0.497 -3.873) 3.905 7.050 ( -0.000 2.014 -0.290) 2.035 7.224 ( -0.000 10.649 13.399) 17.115 8.861 ( 0.000 -4.850 -3.321) 5.878 19.237 ( 0.000 -0.608 0.095) 0.615 19.479 ( -0.000 -0.650 2.145) 2.241 38.572 ( -0.000 -0.464 1.311) 1.390 61.228 ( 0.000 9.104 -11.366) 14.562 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -0.000 0.000 11.274) 11.274 0.478 ( -0.000 0.000 11.274) 11.274 2.659 ( -0.000 0.000 62.890) 62.890 6.132 ( -0.000 0.000 2.341) 2.341 6.132 ( -0.000 0.000 2.341) 2.341 6.987 ( 0.000 -0.000 -5.782) 5.782 6.987 ( 0.000 -0.000 -5.782) 5.782 8.714 ( 0.000 -0.000 -16.999) 16.999 19.203 ( -0.000 0.000 0.489) 0.489 19.203 ( -0.000 0.000 0.489) 0.489 38.614 ( 0.000 -0.000 -0.505) 0.505 65.618 ( 0.000 -0.000 -0.037) 0.037 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 18.178 10.495 8.047) 22.480 0.856 ( 27.718 16.003 11.115) 33.881 2.969 ( 3.306 1.909 57.534) 57.661 6.089 ( -2.299 -1.328 2.133) 3.406 6.281 ( 7.941 4.585 1.015) 9.225 6.954 ( -0.106 -0.061 -6.039) 6.040 7.035 ( 5.753 3.322 -5.442) 8.588 8.606 ( -1.869 -1.079 -19.491) 19.610 19.208 ( 0.210 0.121 0.501) 0.557 19.232 ( 2.204 1.272 -0.477) 2.589 38.583 ( -2.169 -1.252 0.038) 2.505 65.160 ( -36.705 -21.192 16.079) 45.331 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 19.542 11.282 6.428) 23.463 1.576 ( 29.370 16.957 14.645) 36.941 3.306 ( 6.406 3.698 45.102) 45.704 6.052 ( -1.709 -0.987 2.144) 2.914 6.419 ( 3.219 1.858 0.988) 3.846 6.929 ( 0.177 0.102 -5.761) 5.764 7.169 ( 6.870 3.966 -5.453) 9.626 8.493 ( 0.659 0.380 -20.478) 20.492 19.217 ( 0.412 0.238 0.481) 0.677 19.287 ( 2.865 1.654 -1.455) 3.614 38.538 ( -1.668 -0.963 0.799) 2.085 64.335 ( -42.832 -24.729 29.360) 57.516 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 18.655 10.771 4.765) 22.062 2.254 ( 22.835 13.184 20.375) 33.322 3.662 ( 11.513 6.647 26.018) 29.217 6.034 ( -0.733 -0.423 2.279) 2.431 6.439 ( -1.839 -1.062 2.829) 3.538 6.911 ( 0.245 0.141 -4.822) 4.830 7.232 ( 1.272 0.735 -10.957) 11.055 8.496 ( 6.547 3.780 -13.293) 15.292 19.230 ( 0.542 0.313 0.412) 0.749 19.345 ( 2.886 1.666 -1.701) 3.741 38.521 ( -0.236 -0.136 1.346) 1.373 63.541 ( -38.708 -22.348 28.167) 52.831 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 16.256 9.386 2.344) 18.917 2.733 ( 10.300 5.946 22.864) 25.772 4.072 ( 18.838 10.876 5.217) 22.369 6.040 ( 0.263 0.152 2.544) 2.562 6.378 ( -4.592 -2.651 4.526) 6.972 6.897 ( 0.191 0.110 -3.314) 3.321 7.146 ( -2.098 -1.211 -18.517) 18.675 8.644 ( 8.312 4.799 -0.680) 9.622 19.244 ( 0.555 0.320 0.280) 0.699 19.400 ( 2.623 1.515 -1.612) 3.431 38.535 ( 0.688 0.397 1.769) 1.939 62.843 ( -32.702 -18.881 19.793) 42.635 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 12.474 7.202 -0.662) 14.419 2.913 ( -1.213 -0.700 14.600) 14.667 4.534 ( 21.736 12.549 -7.905) 26.314 6.066 ( 0.923 0.533 2.973) 3.158 6.291 ( -4.647 -2.683 5.354) 7.581 6.891 ( 0.214 0.124 -1.546) 1.566 7.014 ( -1.158 -0.668 -21.207) 21.249 8.822 ( 5.047 2.914 10.033) 11.602 19.256 ( 0.435 0.251 0.097) 0.511 19.447 ( 2.134 1.232 -1.498) 2.883 38.561 ( 0.791 0.457 1.985) 2.185 62.244 ( -26.195 -15.124 9.743) 31.778 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 7.496 4.328 -3.523) 9.345 2.839 ( -7.673 -4.430 0.865) 8.902 4.934 ( 17.292 9.983 -14.458) 24.651 6.104 ( 1.050 0.606 3.442) 3.649 6.228 ( -3.199 -1.847 6.038) 7.078 6.895 ( 0.502 0.290 0.098) 0.588 6.926 ( 1.788 1.032 -20.458) 20.562 8.944 ( 0.212 0.122 17.458) 17.459 19.264 ( 0.210 0.121 -0.097) 0.261 19.482 ( 1.479 0.854 -1.463) 2.249 38.583 ( 0.372 0.215 1.888) 1.936 61.753 ( -19.310 -11.149 1.077) 22.324 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -10.806 -6.239 -10.365) 16.222 2.816 ( 1.660 0.958 -5.406) 5.736 5.168 ( 9.717 5.610 -17.348) 20.660 6.140 ( 0.712 0.411 3.727) 3.817 6.190 ( -3.260 -1.882 8.040) 8.877 6.916 ( 1.070 0.618 1.284) 1.782 6.919 ( 5.392 3.113 -19.943) 20.893 8.988 ( -3.670 -2.119 21.110) 21.531 19.265 ( -0.058 -0.034 -0.247) 0.256 19.500 ( 0.787 0.454 -1.496) 1.750 38.594 ( -0.122 -0.070 1.483) 1.489 61.389 ( -12.272 -7.085 -4.332) 14.818 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -12.316 -7.110 -15.543) 21.067 2.758 ( -4.552 -2.628 -5.879) 7.886 5.219 ( 1.393 0.804 -16.880) 16.957 6.145 ( -4.568 -2.637 11.956) 13.068 6.167 ( 0.210 0.121 3.795) 3.802 6.954 ( 1.672 0.965 1.747) 2.603 6.981 ( 7.810 4.509 -20.350) 22.259 8.975 ( -5.348 -3.088 19.971) 20.904 19.259 ( -0.299 -0.173 -0.302) 0.459 19.504 ( 0.194 0.112 -1.573) 1.589 38.592 ( -0.394 -0.228 0.822) 0.940 61.168 ( -5.406 -3.121 -5.170) 8.105 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -12.951 -7.477 -13.234) 19.969 2.563 ( -10.525 -6.076 -5.049) 13.160 5.062 ( -10.263 -5.925 -11.622) 16.599 6.109 ( -3.159 -1.824 13.929) 14.398 6.184 ( -0.188 -0.108 3.808) 3.814 7.003 ( 1.965 1.134 1.375) 2.653 7.086 ( 9.135 5.274 -18.688) 21.459 8.930 ( -5.221 -3.014 13.637) 14.910 19.249 ( -0.460 -0.266 -0.244) 0.585 19.496 ( -0.235 -0.135 -1.739) 1.760 38.585 ( -0.426 -0.246 -0.099) 0.501 61.106 ( 1.152 0.665 -0.324) 1.369 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -0.000 14.787 10.874) 18.354 1.081 ( -0.000 33.788 10.066) 35.255 3.226 ( -0.000 2.868 55.628) 55.702 6.185 ( -0.000 4.520 0.299) 4.529 6.207 ( -0.000 2.374 2.844) 3.704 6.949 ( 0.000 1.011 -6.472) 6.550 7.000 ( 0.000 7.561 -5.917) 9.601 8.503 ( 0.000 -4.738 -19.826) 20.384 19.210 ( -0.000 0.212 0.502) 0.545 19.230 ( -0.000 2.087 -0.214) 2.097 38.583 ( 0.000 -2.337 0.077) 2.338 65.218 ( -0.000 -37.966 12.130) 39.857 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 22.223 15.613 8.314) 28.403 1.544 ( 10.143 31.410 12.732) 35.377 3.492 ( 1.013 2.896 46.556) 46.657 6.127 ( -5.109 2.239 2.006) 5.928 6.354 ( 6.462 2.088 0.176) 6.793 6.922 ( -0.745 1.776 -6.334) 6.620 7.105 ( 4.215 8.474 -6.018) 11.215 8.370 ( 0.991 -3.725 -19.766) 20.138 19.217 ( 0.235 0.328 0.489) 0.634 19.263 ( 1.503 2.229 -0.802) 2.805 38.552 ( -1.030 -1.868 0.838) 2.292 64.683 ( -22.285 -40.552 20.451) 50.590 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 18.557 18.227 5.587) 26.605 2.121 ( 18.481 21.325 17.504) 33.208 3.723 ( 2.938 2.699 31.024) 31.280 6.086 ( -3.243 1.676 2.566) 4.462 6.435 ( 2.089 -0.629 0.609) 2.265 6.906 ( -0.418 2.360 -5.537) 6.034 7.180 ( 0.771 2.382 -9.869) 10.182 8.347 ( 6.945 3.007 -14.204) 16.095 19.228 ( 0.390 0.482 0.441) 0.761 19.312 ( 2.246 1.973 -1.217) 3.228 38.531 ( -0.469 -0.641 1.591) 1.778 63.952 ( -29.340 -36.532 23.022) 52.206 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 12.315 20.370 3.345) 24.037 2.669 ( 16.049 8.860 21.818) 28.497 3.940 ( 9.274 4.084 10.037) 14.263 6.073 ( -1.667 1.650 2.973) 3.787 6.427 ( -1.861 -2.205 2.581) 3.871 6.903 ( -0.454 2.839 -4.377) 5.237 7.090 ( -2.949 -2.570 -16.511) 16.968 8.525 ( 10.916 7.451 -3.223) 13.604 19.242 ( 0.406 0.625 0.337) 0.818 19.364 ( 2.509 1.552 -1.350) 3.245 38.537 ( 0.399 0.265 2.050) 2.105 63.215 ( -29.188 -31.071 18.394) 46.429 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 7.303 20.053 0.674) 21.353 2.952 ( 2.901 -3.514 18.548) 19.099 4.246 ( 19.444 7.736 -6.929) 22.044 6.083 ( -0.588 1.032 3.241) 3.452 6.368 ( -3.955 -1.833 4.538) 6.292 6.895 ( -0.324 0.148 -9.425) 9.431 6.947 ( -2.458 0.792 -12.796) 13.054 8.777 ( 9.068 5.919 6.476) 12.618 19.256 ( 0.269 0.709 0.177) 0.779 19.413 ( 2.410 1.050 -1.384) 2.971 38.562 ( 0.751 0.482 2.193) 2.367 62.537 ( -25.793 -25.240 10.404) 37.558 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 1.945 17.829 -3.026) 18.188 2.899 ( -5.754 -9.405 5.728) 12.425 4.637 ( 20.894 8.214 -13.366) 26.129 6.095 ( 0.221 -1.406 3.820) 4.076 6.319 ( -3.733 1.104 5.446) 6.694 6.807 ( 1.388 -1.713 -18.946) 19.074 6.933 ( -1.682 4.804 -0.991) 5.185 8.977 ( 4.576 1.718 13.655) 14.503 19.266 ( 0.011 0.711 -0.006) 0.711 19.452 ( 2.015 0.533 -1.434) 2.530 38.586 ( 0.534 0.181 2.022) 2.099 61.955 ( -20.562 -19.084 2.426) 28.158 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -9.043 -10.910 -8.618) 16.585 2.908 ( -3.721 15.961 -3.519) 16.762 4.945 ( 14.520 5.856 -16.371) 22.653 6.100 ( 1.274 -3.869 5.221) 6.622 6.309 ( -3.377 3.565 5.601) 7.449 6.768 ( 4.483 0.503 -17.831) 18.393 6.954 ( -1.479 5.036 0.508) 5.273 9.080 ( -0.023 -2.994 18.093) 18.339 19.270 ( -0.295 0.634 -0.159) 0.718 19.477 ( 1.431 0.089 -1.517) 2.088 38.599 ( 0.079 -0.283 1.588) 1.615 61.501 ( -14.207 -12.770 -3.187) 19.367 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -10.185 -9.845 -14.312) 20.137 2.920 ( -9.864 13.858 -5.189) 17.783 5.090 ( 6.674 2.302 -17.078) 18.479 6.107 ( 1.297 -5.221 7.345) 9.104 6.309 ( -3.957 3.451 5.442) 7.562 6.810 ( 7.093 3.698 -17.188) 18.958 6.986 ( -1.001 4.983 1.098) 5.199 9.085 ( -3.141 -6.886 19.108) 20.552 19.267 ( -0.571 0.508 -0.229) 0.798 19.489 ( 0.796 -0.209 -1.614) 1.812 38.598 ( -0.283 -0.615 0.967) 1.180 61.206 ( -7.273 -6.671 -4.822) 10.984 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -10.598 -7.012 -12.386) 17.745 2.799 ( -16.060 10.959 -5.070) 20.093 5.062 ( -1.885 -2.505 -14.729) 15.059 6.105 ( 0.618 -6.090 10.177) 11.876 6.289 ( -3.853 2.132 4.119) 6.029 6.923 ( 8.259 7.628 -15.980) 19.539 7.025 ( -0.509 4.610 0.827) 4.711 9.018 ( -4.383 -9.085 15.986) 18.902 19.259 ( -0.754 0.370 -0.189) 0.861 19.487 ( 0.212 -0.337 -1.746) 1.791 38.588 ( -0.444 -0.705 0.184) 0.853 61.090 ( -0.062 -1.170 -1.365) 1.799 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.000 21.389 9.266) 23.310 1.848 ( -0.000 32.223 14.439) 35.310 3.701 ( -0.000 1.357 39.367) 39.390 6.256 ( 0.000 2.693 -0.767) 2.801 6.267 ( -0.000 1.439 2.159) 2.594 6.914 ( 0.000 1.407 -6.562) 6.711 7.141 ( 0.000 9.956 -7.110) 12.234 8.239 ( 0.000 -2.316 -17.128) 17.283 19.220 ( -0.000 0.333 0.463) 0.571 19.271 ( 0.000 2.490 -0.705) 2.588 38.545 ( -0.000 -1.710 1.191) 2.084 64.513 ( -0.000 -47.107 19.131) 50.843 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 17.824 20.247 7.494) 27.997 2.253 ( 4.851 26.280 18.021) 32.232 3.848 ( -0.467 -0.638 26.039) 26.051 6.187 ( -4.997 1.894 1.740) 5.621 6.372 ( 4.675 0.004 -0.060) 4.676 6.904 ( 0.310 1.980 -6.006) 6.331 7.167 ( -1.082 2.200 -10.537) 10.819 8.230 ( 4.836 6.987 -10.808) 13.748 19.228 ( 0.351 0.430 0.437) 0.707 19.300 ( 0.987 2.312 -0.848) 2.653 38.537 ( -0.198 -0.675 1.770) 1.904 64.008 ( -14.151 -45.885 19.232) 51.726 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 19.228 21.027 4.840) 28.901 2.657 ( 7.915 14.353 22.403) 27.759 3.911 ( 1.203 -1.467 8.213) 8.430 6.147 ( -3.166 1.879 2.752) 4.596 6.418 ( 1.576 -1.451 0.608) 2.227 6.905 ( 0.214 1.475 -6.007) 6.189 7.056 ( -3.465 -2.656 -13.595) 14.279 8.432 ( 9.240 13.236 -2.391) 16.318 19.243 ( 0.511 0.650 0.395) 0.916 19.339 ( 1.612 1.799 -0.988) 2.610 38.544 ( 0.212 0.285 2.173) 2.202 63.362 ( -20.383 -40.938 16.188) 48.513 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 11.153 24.071 1.829) 26.593 2.934 ( 3.962 -3.179 23.056) 23.609 3.999 ( 10.967 2.785 -8.181) 13.963 6.133 ( -2.152 1.133 3.261) 4.067 6.414 ( -0.906 -1.080 2.612) 2.969 6.819 ( -2.101 -4.926 -15.330) 16.238 6.987 ( -0.928 4.960 -4.944) 7.064 8.722 ( 9.040 11.340 4.530) 15.193 19.260 ( 0.390 0.931 0.308) 1.055 19.379 ( 1.954 1.091 -1.101) 2.494 38.566 ( 0.527 0.593 2.234) 2.371 62.694 ( -21.389 -34.247 10.315) 41.674 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -2.811 -6.257 1.952) 7.132 2.971 ( 0.073 17.397 7.909) 19.111 4.286 ( 21.210 6.186 -12.317) 25.295 6.114 ( -1.970 -1.326 3.902) 4.568 6.405 ( -2.028 1.563 4.419) 5.107 6.683 ( 0.431 -3.658 -17.218) 17.608 7.016 ( -1.317 6.798 -1.870) 7.172 8.968 ( 5.938 5.447 9.857) 12.731 19.276 ( 0.041 1.161 0.183) 1.176 19.415 ( 2.016 0.362 -1.224) 2.386 38.588 ( 0.446 0.270 1.979) 2.047 62.083 ( -19.026 -26.505 3.718) 32.838 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -8.103 -14.823 -5.204) 17.677 3.181 ( -4.928 24.642 -0.103) 25.130 4.644 ( 19.528 5.327 -13.933) 24.573 6.084 ( -0.819 -3.446 5.438) 6.490 6.408 ( -2.408 2.291 3.055) 4.514 6.628 ( 3.745 0.027 -14.339) 14.820 7.051 ( -2.147 7.470 -0.593) 7.795 9.105 ( 1.927 -1.755 13.641) 13.888 19.285 ( -0.410 1.247 0.061) 1.314 19.442 ( 1.807 -0.201 -1.361) 2.271 38.601 ( 0.104 -0.328 1.516) 1.555 61.584 ( -14.434 -18.261 -1.503) 23.325 ======================= Grid point 765 (260/344) ======================= q-point: (-0.27 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -8.565 -10.889 -11.411) 17.949 3.272 ( -11.253 22.967 -2.174) 25.668 4.889 ( 11.804 3.273 -16.051) 20.191 6.076 ( 0.877 -4.247 7.629) 8.775 6.385 ( -1.707 -0.342 -1.260) 2.149 6.685 ( 5.443 5.759 -9.101) 12.067 7.083 ( -2.555 7.520 -0.077) 7.943 9.122 ( -1.427 -8.482 15.656) 17.863 19.286 ( -0.817 1.162 -0.005) 1.420 19.460 ( 1.381 -0.480 -1.491) 2.089 38.599 ( -0.226 -0.824 0.966) 1.290 61.238 ( -8.417 -10.224 -3.735) 13.760 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -8.183 -4.820 -10.293) 14.005 3.228 ( -17.545 20.233 -2.991) 26.947 4.963 ( 3.633 0.074 -16.198) 16.600 6.089 ( 0.801 -4.581 9.973) 11.004 6.338 ( -1.289 -2.050 -2.995) 3.852 6.830 ( 6.525 10.267 -7.843) 14.474 7.110 ( -2.515 6.947 -0.234) 7.392 9.042 ( -3.195 -13.161 15.416) 20.520 19.281 ( -1.080 0.955 0.017) 1.442 19.467 ( 0.823 -0.470 -1.612) 1.870 38.588 ( -0.402 -1.008 0.392) 1.153 61.074 ( -1.498 -3.141 -1.901) 3.965 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -0.000 20.165 7.546) 21.530 2.551 ( -0.000 22.305 21.768) 31.166 3.928 ( -0.000 -2.920 14.233) 14.529 6.283 ( -0.000 0.406 0.652) 0.769 6.298 ( -0.000 0.516 0.576) 0.774 6.891 ( 0.000 1.878 -5.663) 5.967 7.124 ( 0.000 -3.659 -12.541) 13.064 8.264 ( 0.000 16.229 -4.914) 16.957 19.230 ( -0.000 0.367 0.399) 0.543 19.313 ( 0.000 2.392 -0.643) 2.477 38.543 ( -0.000 -0.089 2.035) 2.037 63.737 ( -0.000 -48.609 17.011) 51.499 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 16.685 18.166 6.002) 25.385 2.842 ( 0.927 11.942 26.665) 29.232 3.915 ( -1.338 -2.356 -0.922) 2.862 6.230 ( -3.573 0.817 2.085) 4.217 6.360 ( 3.455 -0.916 -0.252) 3.583 6.885 ( -0.570 0.144 -6.104) 6.132 7.003 ( -0.584 -4.749 -11.999) 12.918 8.480 ( 4.049 20.907 0.135) 21.296 19.241 ( 0.536 0.442 0.372) 0.788 19.337 ( 0.514 2.105 -0.578) 2.243 38.555 ( 0.108 0.590 2.210) 2.290 63.253 ( -9.548 -46.082 14.225) 49.164 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 21.412 16.480 3.812) 27.287 3.009 ( -1.063 -3.735 27.724) 27.995 3.880 ( 1.672 4.707 -12.740) 13.684 6.198 ( -2.708 0.495 3.221) 4.237 6.397 ( 2.336 -0.678 -0.189) 2.440 6.755 ( -3.884 -6.152 -11.972) 14.010 6.996 ( 2.583 3.506 -4.722) 6.424 8.764 ( 4.830 18.196 3.645) 19.175 19.260 ( 0.839 0.700 0.344) 1.145 19.364 ( 0.812 1.475 -0.616) 1.793 38.576 ( 0.253 0.810 2.116) 2.280 62.677 ( -14.261 -40.071 9.976) 43.687 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -0.056 -13.417 7.825) 15.532 3.140 ( 9.192 17.277 9.793) 21.884 4.001 ( 11.357 8.325 -11.836) 18.395 6.163 ( -3.093 -1.349 4.071) 5.288 6.441 ( 2.083 2.056 1.104) 3.128 6.585 ( -2.605 -5.061 -13.025) 14.214 7.066 ( 1.945 5.622 -2.546) 6.471 9.001 ( 3.167 10.972 6.201) 12.995 19.284 ( 0.673 1.138 0.316) 1.359 19.387 ( 1.085 0.588 -0.755) 1.447 38.595 ( 0.184 0.450 1.751) 1.817 62.106 ( -15.022 -31.833 4.970) 35.549 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -6.704 -18.404 -0.154) 19.587 3.498 ( 0.519 26.632 3.736) 26.898 4.289 ( 19.844 4.283 -10.406) 22.812 6.107 ( -2.913 -3.126 4.904) 6.504 6.446 ( -2.422 -2.908 -6.642) 7.644 6.534 ( 4.144 4.362 -3.383) 6.902 7.139 ( 0.313 6.865 -1.430) 7.019 9.127 ( 0.463 1.707 8.192) 8.380 19.305 ( 0.010 1.596 0.307) 1.626 19.405 ( 1.423 -0.297 -0.978) 1.752 38.604 ( -0.071 -0.229 1.246) 1.269 61.614 ( -12.811 -22.454 0.564) 25.858 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -6.619 -12.096 -6.522) 15.253 3.692 ( -9.189 25.872 2.227) 27.546 4.605 ( 17.911 3.073 -12.979) 22.332 6.062 ( -0.665 -4.241 6.305) 7.628 6.359 ( -0.658 -3.211 -7.256) 7.962 6.658 ( 4.146 8.050 -0.648) 9.078 7.195 ( -1.438 7.512 -0.957) 7.708 9.124 ( -1.963 -7.540 9.905) 12.602 19.316 ( -0.822 1.710 0.321) 1.925 19.421 ( 1.646 -0.725 -1.213) 2.169 38.599 ( -0.314 -0.839 0.758) 1.173 61.255 ( -8.489 -13.080 -1.947) 15.714 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -5.318 -3.303 -7.124) 9.484 3.720 ( -15.815 21.948 1.194) 27.079 4.803 ( 8.972 3.069 -15.639) 18.289 6.062 ( 1.884 -4.916 7.997) 9.574 6.294 ( -0.123 -3.069 -5.642) 6.424 6.822 ( 4.838 10.766 -1.727) 11.928 7.228 ( -2.776 7.442 -1.001) 8.006 9.015 ( -3.055 -14.741 11.433) 18.904 19.313 ( -1.349 1.353 0.340) 1.941 19.436 ( 1.445 -0.518 -1.384) 2.067 38.586 ( -0.408 -1.108 0.387) 1.243 61.063 ( -2.711 -4.833 -1.619) 5.773 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -0.000 15.946 5.717) 16.940 3.027 ( -0.000 -1.730 32.100) 32.146 3.900 ( 0.000 3.794 -11.953) 12.540 6.290 ( -0.000 -1.227 3.002) 3.243 6.301 ( 0.000 0.229 -1.263) 1.283 6.877 ( 0.000 -7.826 -12.155) 14.457 6.889 ( 0.000 2.234 -4.012) 4.592 8.682 ( -0.000 24.518 1.920) 24.593 19.241 ( -0.000 0.328 0.341) 0.473 19.353 ( -0.000 2.111 -0.257) 2.126 38.572 ( -0.000 0.949 2.127) 2.329 62.936 ( -0.000 -46.029 12.165) 47.610 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 16.194 13.198 4.693) 21.412 3.052 ( -1.125 -18.574 28.295) 33.866 3.917 ( -1.180 14.423 -13.362) 19.697 6.256 ( -2.300 -0.454 3.029) 3.830 6.338 ( 2.917 -0.728 -0.950) 3.153 6.716 ( -3.738 -5.896 -10.090) 12.270 6.939 ( 4.228 2.280 -3.759) 6.099 8.935 ( 0.769 22.074 2.502) 22.229 19.252 ( 0.744 0.369 0.308) 0.886 19.372 ( 0.053 1.786 -0.069) 1.789 38.591 ( 0.044 0.997 1.841) 2.094 62.493 ( -6.521 -41.557 9.418) 43.107 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 6.080 -8.782 8.122) 13.419 3.026 ( 15.015 -3.312 11.207) 19.027 4.016 ( -0.895 16.834 -5.864) 17.848 6.221 ( -3.017 -1.469 4.452) 5.575 6.386 ( 4.034 0.598 -3.606) 5.443 6.562 ( -3.884 -3.515 -7.165) 8.875 7.034 ( 5.185 3.356 -2.718) 6.748 9.132 ( -0.805 15.065 2.371) 15.271 19.275 ( 1.314 0.575 0.238) 1.454 19.387 ( -0.098 1.200 0.002) 1.204 38.606 ( -0.078 0.585 1.361) 1.484 62.016 ( -9.655 -33.876 6.044) 35.739 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -5.356 -20.509 5.208) 21.828 3.531 ( 24.858 14.374 2.946) 28.866 4.140 ( 0.223 12.361 -1.531) 12.458 6.160 ( -4.090 -2.610 4.195) 6.414 6.390 ( -0.213 -2.665 -10.278) 10.620 6.528 ( 2.557 4.094 1.936) 5.201 7.145 ( 4.488 4.274 -1.870) 6.474 9.209 ( -3.254 5.437 2.150) 6.691 19.308 ( 1.454 0.992 0.156) 1.767 19.392 ( -0.218 0.405 -0.057) 0.463 38.610 ( -0.321 -0.114 0.816) 0.884 61.583 ( -9.761 -24.375 2.699) 26.395 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.894 -13.048 -0.148) 13.936 4.044 ( 6.725 24.378 4.770) 25.735 4.265 ( 11.796 1.097 -5.739) 13.163 6.078 ( -3.432 -3.682 3.014) 5.867 6.313 ( -0.985 -2.471 -5.919) 6.489 6.664 ( 4.852 7.564 1.472) 9.106 7.245 ( 2.584 5.047 -1.198) 5.795 9.148 ( -5.192 -4.863 2.537) 7.553 19.342 ( 0.668 1.769 0.280) 1.912 19.389 ( 0.264 -0.656 -0.406) 0.815 38.601 ( -0.511 -0.758 0.377) 0.988 61.251 ( -7.460 -14.553 0.229) 16.355 ======================= Grid point 796 (274/344) ======================= q-point: (-0.20 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -2.820 -2.939 -2.591) 4.827 4.163 ( -11.970 14.410 5.792) 19.608 4.577 ( 16.899 8.856 -11.341) 22.196 6.014 ( -0.189 -5.226 2.811) 5.937 6.260 ( -0.740 -1.923 -1.964) 2.846 6.838 ( 5.019 9.914 -0.184) 11.114 7.317 ( 0.082 5.685 -0.591) 5.717 8.977 ( -5.386 -13.793 4.295) 15.418 19.354 ( -1.503 1.441 0.714) 2.201 19.397 ( 1.925 -0.465 -1.077) 2.254 38.584 ( -0.512 -1.064 0.160) 1.191 61.058 ( -3.366 -5.831 -0.631) 6.762 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -0.000 11.015 4.731) 11.988 2.939 ( -0.000 -27.957 21.767) 35.431 4.053 ( 0.000 18.763 -6.201) 19.761 6.290 ( 0.000 0.457 -2.730) 2.768 6.293 ( -0.000 -2.100 5.487) 5.876 6.656 ( 0.000 -4.470 -9.638) 10.624 6.905 ( 0.000 2.244 -2.436) 3.312 9.153 ( -0.000 20.632 0.611) 20.641 19.249 ( -0.000 0.228 0.306) 0.382 19.391 ( -0.000 1.732 0.334) 1.764 38.608 ( -0.000 0.932 1.406) 1.687 62.191 ( 0.000 -38.664 8.351) 39.556 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 8.249 -0.172 6.664) 10.606 2.773 ( 7.062 -19.013 12.668) 23.914 4.208 ( -1.605 17.562 1.240) 17.679 6.270 ( -1.752 -0.939 3.250) 3.810 6.317 ( 2.275 -0.497 -0.869) 2.486 6.560 ( -2.343 -1.836 -7.111) 7.709 6.960 ( 4.639 2.237 -2.199) 5.600 9.312 ( -2.036 14.797 -1.694) 15.032 19.260 ( 0.896 0.218 0.253) 0.957 19.406 ( -0.315 1.426 0.606) 1.581 38.619 ( -0.166 0.515 0.858) 1.014 61.836 ( -4.286 -32.197 6.627) 33.150 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -4.115 -20.841 9.912) 23.442 3.148 ( 28.516 5.478 2.874) 29.179 4.345 ( -3.310 15.174 6.394) 16.795 6.224 ( -3.890 -1.496 2.224) 4.724 6.332 ( 0.732 -1.165 -4.171) 4.392 6.529 ( 1.669 2.766 -0.673) 3.300 7.070 ( 6.479 2.343 -1.958) 7.162 9.342 ( -5.312 6.331 -3.794) 9.094 19.285 ( 1.655 0.262 0.077) 1.678 19.412 ( -0.788 1.035 0.786) 1.520 38.618 ( -0.457 -0.128 0.320) 0.572 61.497 ( -6.087 -23.504 4.451) 24.684 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -3.525 -13.517 6.310) 15.328 3.718 ( 30.636 4.655 -1.432) 31.021 4.448 ( -5.338 13.995 10.134) 18.085 6.130 ( -5.163 -1.775 -1.725) 5.725 6.296 ( -1.302 -1.687 -0.736) 2.255 6.650 ( 5.768 6.721 1.531) 8.988 7.197 ( 6.357 2.432 -1.226) 6.916 9.223 ( -8.245 -3.002 -4.963) 10.081 19.320 ( 2.142 0.218 -0.259) 2.169 19.407 ( -1.278 0.795 0.935) 1.772 38.605 ( -0.680 -0.710 -0.055) 0.984 61.226 ( -5.640 -14.198 2.276) 15.446 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -0.000 6.372 5.001) 8.100 2.536 ( -0.000 -26.378 14.739) 30.216 4.401 ( -0.000 15.186 6.656) 16.580 6.272 ( 0.000 0.601 -3.597) 3.646 6.314 ( -0.000 -1.582 7.431) 7.598 6.537 ( 0.000 -0.131 -6.932) 6.934 6.929 ( 0.000 1.970 -1.555) 2.510 9.442 ( 0.000 10.453 -5.660) 11.887 19.255 ( -0.000 0.080 0.294) 0.305 19.426 ( -0.000 1.286 1.006) 1.633 38.627 ( -0.000 0.174 0.325) 0.368 61.608 ( -0.000 -27.199 6.428) 27.948 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -3.270 -20.089 13.512) 24.430 2.787 ( 19.292 2.904 4.984) 20.136 4.562 ( -1.599 12.665 10.692) 16.652 6.256 ( -1.121 0.108 -4.881) 5.009 6.326 ( -0.587 -0.990 6.236) 6.342 6.525 ( 0.860 2.569 -2.321) 3.568 6.982 ( 4.603 1.779 -1.609) 5.190 9.448 ( -3.948 3.737 -8.984) 10.501 19.264 ( 0.929 0.008 0.219) 0.954 19.438 ( -0.506 1.013 1.261) 1.695 38.624 ( -0.346 -0.330 -0.127) 0.495 61.378 ( -2.632 -19.974 5.371) 20.851 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -2.477 -13.658 11.347) 17.929 3.240 ( 28.269 1.097 2.584) 28.408 4.689 ( -2.879 10.433 13.623) 17.398 6.181 ( -4.015 -0.376 -7.319) 8.356 6.323 ( -1.898 -1.234 5.923) 6.341 6.622 ( 5.453 6.337 1.897) 8.573 7.091 ( 6.898 1.443 -1.319) 7.170 9.300 ( -8.214 -3.580 -11.091) 14.258 19.287 ( 1.636 -0.121 -0.019) 1.640 19.440 ( -0.990 0.827 1.398) 1.902 38.608 ( -0.669 -0.762 -0.386) 1.085 61.188 ( -3.516 -12.003 3.641) 13.027 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -0.000 -18.103 15.588) 23.890 2.659 ( -0.000 1.427 5.735) 5.910 4.739 ( -0.000 9.997 13.540) 16.831 6.249 ( 0.000 0.414 -3.937) 3.958 6.344 ( -0.000 -0.871 2.000) 2.181 6.544 ( -0.000 3.745 2.650) 4.588 6.952 ( 0.000 1.743 -1.332) 2.193 9.450 ( 0.000 -0.877 -12.898) 12.928 19.257 ( -0.000 -0.110 0.290) 0.310 19.458 ( -0.000 0.755 1.544) 1.719 38.621 ( 0.000 -0.637 -0.423) 0.764 61.253 ( -0.000 -14.557 5.191) 15.455 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -1.794 -13.724 14.315) 19.912 2.849 ( 18.285 -1.720 5.267) 19.106 4.874 ( -1.461 6.988 15.212) 16.804 6.202 ( -3.130 -0.344 -6.855) 7.543 6.346 ( 0.854 -1.294 1.072) 1.885 6.635 ( 2.364 6.790 7.830) 10.630 7.002 ( 4.318 1.592 -1.309) 4.784 9.312 ( -5.055 -5.718 -15.104) 16.923 19.264 ( 0.845 -0.232 0.202) 0.899 19.466 ( -0.510 0.513 1.668) 1.818 38.608 ( -0.416 -0.867 -0.510) 1.088 61.147 ( -1.541 -8.440 3.931) 9.437 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -0.000 -13.511 15.018) 20.201 2.679 ( -0.000 -4.842 5.798) 7.554 5.005 ( -0.000 3.027 15.360) 15.655 6.219 ( 0.000 0.106 -3.913) 3.914 6.283 ( 0.000 -2.810 -7.884) 8.370 6.741 ( -0.000 8.108 14.663) 16.756 6.975 ( 0.000 1.864 -1.366) 2.311 9.219 ( 0.000 -7.737 -16.695) 18.401 19.255 ( -0.000 -0.324 0.275) 0.425 19.482 ( -0.000 0.183 1.792) 1.801 38.601 ( 0.000 -0.898 -0.417) 0.990 61.113 ( -0.000 -4.343 3.073) 5.321 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.000 0.000 10.005) 10.005 0.620 ( -0.000 0.000 10.005) 10.005 3.463 ( -0.000 0.000 57.831) 57.831 6.168 ( -0.000 0.000 3.003) 3.003 6.168 ( -0.000 0.000 3.003) 3.003 6.904 ( 0.000 -0.000 -6.708) 6.708 6.904 ( 0.000 -0.000 -6.708) 6.708 8.458 ( 0.000 -0.000 -21.267) 21.267 19.210 ( -0.000 0.000 0.510) 0.510 19.210 ( -0.000 0.000 0.510) 0.510 38.607 ( 0.000 -0.000 -0.547) 0.547 65.617 ( 0.000 -0.000 -0.031) 0.031 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 17.103 9.874 6.469) 20.781 1.003 ( 28.383 16.387 10.814) 34.512 3.704 ( -0.727 -0.419 52.566) 52.573 6.126 ( -2.445 -1.412 3.342) 4.375 6.296 ( 6.582 3.800 1.116) 7.682 6.871 ( 0.124 0.071 -6.448) 6.450 6.955 ( 6.337 3.659 -6.505) 9.791 8.331 ( -2.084 -1.203 -21.837) 21.969 19.214 ( 0.201 0.116 0.491) 0.544 19.230 ( 1.533 0.885 0.064) 1.771 38.584 ( -1.581 -0.913 0.115) 1.830 65.305 ( -26.143 -15.094 7.078) 31.007 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 18.997 10.968 4.523) 22.398 1.758 ( 31.981 18.464 12.633) 39.030 3.884 ( -1.801 -1.040 40.952) 41.005 6.091 ( -1.892 -1.092 3.697) 4.294 6.419 ( 3.737 2.157 -0.774) 4.384 6.853 ( 0.660 0.381 -5.622) 5.673 7.080 ( 5.479 3.163 -7.822) 10.061 8.231 ( 3.001 1.733 -18.650) 18.970 19.223 ( 0.384 0.222 0.434) 0.621 19.274 ( 2.360 1.363 -0.568) 2.784 38.552 ( -1.241 -0.717 1.261) 1.909 64.620 ( -37.074 -21.405 14.964) 45.349 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 17.833 10.296 2.655) 20.763 2.497 ( 26.709 15.420 16.114) 34.797 3.988 ( -0.843 -0.487 22.138) 22.160 6.076 ( -0.934 -0.539 3.969) 4.113 6.456 ( -0.073 -0.042 0.143) 0.166 6.850 ( 0.984 0.568 -4.242) 4.391 7.061 ( -2.674 -1.544 -14.052) 14.388 8.352 ( 12.564 7.254 -8.440) 16.784 19.235 ( 0.488 0.282 0.323) 0.650 19.328 ( 2.641 1.525 -0.957) 3.196 38.545 ( -0.072 -0.041 2.019) 2.020 63.825 ( -38.684 -22.335 15.354) 47.234 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 15.025 8.675 0.173) 17.350 3.019 ( 10.025 5.788 20.130) 23.221 4.097 ( 8.573 4.950 -1.963) 10.093 6.085 ( 0.114 0.066 4.197) 4.199 6.425 ( -3.055 -1.764 2.890) 4.560 6.858 ( 1.075 0.621 -2.519) 2.809 6.896 ( -4.209 -2.430 -18.141) 18.780 8.654 ( 14.053 8.114 1.758) 16.322 19.247 ( 0.475 0.274 0.159) 0.571 19.382 ( 2.513 1.451 -1.174) 3.131 38.563 ( 0.693 0.400 2.249) 2.387 63.039 ( -35.633 -20.573 10.140) 42.376 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 11.126 6.424 -2.635) 13.115 3.081 ( -8.876 -5.125 10.484) 14.662 4.390 ( 18.737 10.818 -13.601) 25.556 6.116 ( 0.838 0.484 4.397) 4.502 6.359 ( -3.970 -2.292 5.198) 6.930 6.750 ( -1.298 -0.750 -18.115) 18.177 6.875 ( 1.076 0.621 -0.792) 1.474 8.955 ( 9.761 5.636 9.478) 14.727 19.257 ( 0.344 0.199 -0.032) 0.399 19.428 ( 2.070 1.195 -1.345) 2.743 38.589 ( 0.686 0.396 2.073) 2.219 62.327 ( -29.775 -17.191 3.069) 34.518 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 6.490 3.747 -4.969) 8.992 2.812 ( -14.451 -8.343 -5.041) 17.431 4.728 ( 15.826 9.137 -15.795) 24.154 6.157 ( 0.951 0.549 4.434) 4.567 6.309 ( -2.558 -1.477 6.225) 6.891 6.680 ( 1.749 1.010 -16.402) 16.526 6.900 ( 1.181 0.682 0.616) 1.497 9.161 ( 3.593 2.074 14.915) 15.481 19.262 ( 0.134 0.078 -0.201) 0.254 19.462 ( 1.436 0.829 -1.511) 2.243 38.608 ( 0.175 0.101 1.641) 1.653 61.741 ( -22.016 -12.711 -2.796) 25.576 ======================= Grid point 975 (292/344) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -14.185 -8.190 -14.383) 21.798 2.738 ( 1.318 0.761 -6.111) 6.298 4.940 ( 9.313 5.377 -16.486) 19.683 6.194 ( 0.568 0.328 4.228) 4.279 6.294 ( -1.670 -0.964 7.155) 7.411 6.680 ( 4.431 2.558 -15.504) 16.327 6.934 ( 1.423 0.821 1.411) 2.166 9.247 ( -2.290 -1.322 17.580) 17.777 19.261 ( -0.094 -0.054 -0.294) 0.313 19.479 ( 0.759 0.438 -1.659) 1.876 38.611 ( -0.403 -0.232 1.071) 1.168 61.324 ( -13.127 -7.579 -5.305) 16.060 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.000 13.991 10.349) 17.402 1.197 ( -0.000 35.741 7.256) 36.470 3.930 ( -0.000 -2.413 49.805) 49.863 6.201 ( -0.000 2.438 2.071) 3.199 6.244 ( -0.000 2.090 2.660) 3.383 6.859 ( 0.000 1.097 -6.948) 7.034 6.918 ( 0.000 7.884 -6.343) 10.118 8.223 ( 0.000 -3.555 -21.895) 22.181 19.216 ( -0.000 0.200 0.465) 0.506 19.230 ( -0.000 1.502 0.158) 1.511 38.584 ( 0.000 -1.604 0.121) 1.609 65.328 ( 0.000 -28.368 5.492) 28.894 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 19.665 15.733 7.393) 26.247 1.687 ( 12.183 34.480 8.908) 37.638 4.077 ( -2.281 -5.198 40.762) 41.155 6.163 ( -4.279 1.380 3.302) 5.578 6.354 ( 5.472 1.723 -0.087) 5.738 6.838 ( -0.167 1.840 -6.150) 6.421 7.015 ( 3.615 7.534 -7.309) 11.101 8.112 ( 1.845 -0.402 -18.768) 18.863 19.223 ( 0.226 0.317 0.424) 0.575 19.257 ( 1.208 1.793 -0.200) 2.171 38.564 ( -0.675 -1.246 0.977) 1.721 64.878 ( -18.847 -34.334 10.073) 40.441 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 16.520 18.738 3.791) 25.266 2.319 ( 21.207 24.914 12.387) 34.984 4.105 ( -4.147 -7.908 25.609) 27.121 6.130 ( -2.875 1.093 4.026) 5.067 6.430 ( 2.763 0.160 -1.047) 2.959 6.837 ( 0.363 2.447 -4.682) 5.295 7.032 ( -1.998 -0.319 -11.786) 11.958 8.188 ( 10.562 8.753 -9.842) 16.883 19.233 ( 0.346 0.480 0.344) 0.684 19.300 ( 1.975 1.741 -0.574) 2.694 38.554 ( -0.207 -0.328 1.793) 1.834 64.179 ( -28.215 -34.709 11.913) 46.290 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 10.769 20.591 0.970) 23.257 2.929 ( 18.606 12.445 17.064) 28.147 4.036 ( -1.132 -6.884 4.047) 8.066 6.123 ( -1.543 1.187 4.374) 4.787 6.447 ( 0.014 -1.037 0.572) 1.184 6.838 ( -1.431 -1.341 -7.572) 7.821 6.890 ( -3.527 0.462 -10.267) 10.866 8.501 ( 14.972 11.971 -0.844) 19.188 19.246 ( 0.319 0.633 0.214) 0.740 19.349 ( 2.309 1.445 -0.857) 2.855 38.566 ( 0.476 0.345 2.093) 2.174 63.394 ( -30.777 -31.799 9.047) 45.169 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 5.584 20.050 -1.798) 20.891 3.184 ( -3.307 -7.081 16.119) 17.914 4.108 ( 16.055 5.215 -13.766) 21.783 6.136 ( -0.475 0.682 4.684) 4.757 6.423 ( -2.421 -1.229 3.882) 4.737 6.682 ( -2.463 -3.653 -15.671) 16.279 6.895 ( -0.432 4.590 -1.468) 4.839 8.860 ( 13.023 9.008 5.766) 16.852 19.257 ( 0.151 0.730 0.049) 0.747 19.396 ( 2.248 1.001 -1.097) 2.694 38.590 ( 0.699 0.431 1.918) 2.086 62.627 ( -28.713 -26.747 3.540) 39.401 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 0.069 15.211 -4.990) 16.009 2.942 ( -13.303 -10.747 0.451) 17.108 4.449 ( 19.461 8.360 -14.225) 25.515 6.156 ( 0.382 -1.084 5.355) 5.477 6.388 ( -3.308 0.488 4.936) 5.962 6.582 ( 1.442 -1.352 -14.555) 14.689 6.928 ( -0.751 4.848 0.140) 4.908 9.141 ( 8.177 3.625 10.759) 13.991 19.265 ( -0.111 0.753 -0.109) 0.769 19.433 ( 1.875 0.516 -1.323) 2.352 38.610 ( 0.406 0.061 1.484) 1.539 61.957 ( -23.341 -20.219 -1.842) 30.935 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -12.876 -12.617 -12.189) 21.761 2.853 ( -5.979 16.928 -4.687) 18.555 4.734 ( 13.278 5.660 -14.921) 20.760 6.177 ( 1.250 -2.554 6.212) 6.832 6.367 ( -2.311 1.499 1.963) 3.382 6.571 ( 3.588 1.585 -10.679) 11.377 6.964 ( -0.873 4.817 1.087) 5.014 9.294 ( 2.590 -2.233 14.053) 14.463 19.267 ( -0.393 0.708 -0.206) 0.835 19.457 ( 1.317 0.097 -1.518) 2.012 38.616 ( -0.104 -0.439 0.983) 1.081 61.447 ( -15.666 -12.907 -4.836) 20.866 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.000 20.463 8.721) 22.244 1.995 ( -0.000 37.527 7.939) 38.357 4.193 ( -0.000 -9.862 33.817) 35.226 6.263 ( -0.000 1.973 1.804) 2.674 6.289 ( -0.000 0.810 1.030) 1.311 6.828 ( 0.000 1.818 -6.203) 6.464 7.036 ( 0.000 7.391 -8.416) 11.200 8.025 ( 0.000 3.813 -14.669) 15.157 19.225 ( -0.000 0.320 0.386) 0.501 19.266 ( -0.000 2.128 -0.154) 2.133 38.562 ( -0.000 -1.025 1.236) 1.606 64.699 ( 0.000 -41.793 9.790) 42.924 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 16.218 19.812 6.561) 26.431 2.436 ( 5.960 32.915 9.652) 34.815 4.171 ( -3.362 -14.353 21.876) 26.379 6.219 ( -3.989 1.285 2.898) 5.095 6.367 ( 4.079 0.133 -0.624) 4.129 6.830 ( 0.795 2.301 -4.930) 5.498 7.016 ( -2.057 -0.677 -11.488) 11.691 8.112 ( 6.162 14.193 -6.913) 16.947 19.234 ( 0.347 0.425 0.339) 0.645 19.293 ( 0.817 2.113 -0.284) 2.283 38.561 ( -0.055 -0.240 1.693) 1.710 64.198 ( -13.763 -43.491 10.119) 46.726 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 17.004 21.163 3.334) 27.352 2.899 ( 10.117 21.998 13.753) 27.846 4.004 ( -4.934 -16.086 5.719) 17.771 6.191 ( -2.603 1.408 3.681) 4.723 6.413 ( 2.386 -0.830 -1.176) 2.786 6.815 ( -2.796 -3.689 -7.744) 9.022 6.908 ( -0.981 1.978 -7.443) 7.763 8.413 ( 11.105 17.882 -0.741) 21.063 19.248 ( 0.474 0.669 0.269) 0.863 19.330 ( 1.382 1.725 -0.472) 2.260 38.572 ( 0.288 0.431 1.854) 1.925 63.520 ( -21.385 -40.835 8.188) 46.818 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 8.976 23.759 -0.192) 25.399 3.224 ( 0.857 -1.803 20.411) 20.508 3.854 ( 7.463 -2.938 -13.644) 15.826 6.185 ( -1.800 0.921 4.495) 4.928 6.431 ( 1.387 -0.633 -0.346) 1.563 6.638 ( -4.772 -5.816 -10.473) 12.895 6.943 ( 0.594 5.753 -2.070) 6.143 8.776 ( 11.532 14.061 3.286) 18.479 19.264 ( 0.306 0.989 0.170) 1.049 19.367 ( 1.707 1.076 -0.691) 2.133 38.592 ( 0.506 0.550 1.613) 1.777 62.788 ( -23.664 -35.044 4.138) 42.488 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -3.939 6.300 -4.255) 8.562 3.090 ( -8.846 1.465 7.069) 11.418 4.121 ( 20.889 7.700 -11.741) 25.169 6.180 ( -1.497 -1.266 5.895) 6.213 6.455 ( -0.416 1.477 3.081) 3.442 6.484 ( -0.802 -3.705 -12.449) 13.013 7.001 ( -0.437 6.665 -0.352) 6.688 9.077 ( 8.968 6.787 6.416) 12.948 19.277 ( -0.079 1.267 0.067) 1.271 19.400 ( 1.774 0.372 -0.938) 2.041 38.610 ( 0.375 0.141 1.148) 1.216 62.104 ( -21.637 -27.096 -0.342) 34.677 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -12.780 -15.146 -8.534) 21.576 3.175 ( -7.667 25.602 -1.077) 26.747 4.469 ( 17.402 5.471 -11.871) 21.764 6.169 ( -0.140 -3.273 7.062) 7.785 6.382 ( -1.079 -2.322 -7.093) 7.541 6.523 ( 2.402 4.761 -1.051) 5.435 7.052 ( -1.520 6.964 0.722) 7.164 9.257 ( 5.053 -1.484 9.051) 10.472 19.285 ( -0.536 1.401 0.005) 1.501 19.425 ( 1.594 -0.177 -1.187) 1.995 38.616 ( 0.022 -0.478 0.693) 0.842 61.550 ( -16.314 -18.047 -3.397) 24.564 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.000 19.190 6.786) 20.355 2.763 ( -0.000 32.366 10.232) 33.945 4.115 ( -0.000 -19.395 13.637) 23.710 6.294 ( 0.000 -0.063 -1.362) 1.363 6.310 ( -0.000 0.626 3.252) 3.311 6.823 ( 0.000 2.500 -4.362) 5.027 6.957 ( 0.000 -4.955 -11.994) 12.977 8.217 ( -0.000 21.829 -2.260) 21.945 19.235 ( -0.000 0.363 0.308) 0.476 19.308 ( -0.000 2.301 -0.113) 2.304 38.568 ( -0.000 0.238 1.711) 1.727 63.908 ( 0.000 -47.124 9.270) 48.027 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 15.692 17.530 5.222) 24.100 3.118 ( 1.282 25.685 13.909) 29.238 3.917 ( -3.660 -20.907 2.134) 21.332 6.258 ( -2.224 0.713 1.177) 2.615 6.358 ( 2.378 -0.754 0.540) 2.553 6.791 ( -3.318 -4.983 -7.909) 9.919 6.879 ( 2.503 1.122 -5.912) 6.517 8.486 ( 4.561 23.867 0.536) 24.305 19.245 ( 0.529 0.445 0.264) 0.741 19.333 ( 0.365 2.127 -0.059) 2.159 38.582 ( 0.131 0.695 1.590) 1.740 63.396 ( -10.207 -45.780 7.718) 47.535 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 19.601 16.730 3.035) 25.948 3.353 ( -4.163 -1.464 23.797) 24.202 3.694 ( 0.921 -0.287 -15.231) 15.261 6.244 ( -1.688 0.889 2.941) 3.506 6.382 ( 2.055 -1.119 -1.366) 2.709 6.624 ( -4.509 -6.146 -7.235) 10.509 6.948 ( 3.525 4.244 -2.471) 6.045 8.800 ( 6.045 19.452 1.633) 20.434 19.263 ( 0.828 0.712 0.191) 1.108 19.359 ( 0.535 1.582 -0.103) 1.673 38.599 ( 0.235 0.737 1.210) 1.436 62.775 ( -15.922 -40.337 4.903) 43.642 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -1.373 -7.139 1.653) 7.455 3.262 ( 2.727 6.800 6.331) 9.683 3.873 ( 10.859 13.040 -6.083) 18.027 6.227 ( -2.494 -1.428 4.827) 5.618 6.392 ( 1.530 -1.509 -6.829) 7.159 6.497 ( -2.004 -1.256 -0.919) 2.537 7.043 ( 2.703 5.486 -0.924) 6.185 9.058 ( 5.283 11.030 2.206) 12.427 19.287 ( 0.676 1.177 0.118) 1.363 19.380 ( 0.698 0.736 -0.257) 1.047 38.612 ( 0.148 0.296 0.689) 0.765 62.148 ( -17.261 -31.943 1.522) 36.340 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -11.674 -17.744 -3.080) 21.462 3.539 ( -1.030 27.763 1.737) 27.837 4.174 ( 16.530 5.396 -6.251) 18.477 6.176 ( -1.953 -4.371 3.818) 6.123 6.338 ( -0.742 -2.403 -4.574) 5.220 6.537 ( 2.424 5.272 0.495) 5.823 7.131 ( 0.908 6.341 0.255) 6.411 9.203 ( 3.446 0.935 3.130) 4.748 19.308 ( 0.018 1.726 0.126) 1.731 19.395 ( 1.001 -0.189 -0.547) 1.156 38.614 ( -0.077 -0.381 0.250) 0.463 61.609 ( -14.841 -21.987 -1.224) 26.555 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.000 15.260 5.235) 16.133 3.405 ( -0.000 14.037 22.641) 26.640 3.746 ( 0.000 -14.130 -9.106) 16.810 6.270 ( 0.000 0.036 -3.360) 3.360 6.348 ( -0.000 -0.612 5.534) 5.567 6.727 ( 0.000 -7.134 -9.811) 12.131 6.845 ( 0.000 2.704 -2.404) 3.618 8.700 ( -0.000 25.399 0.721) 25.409 19.245 ( -0.000 0.338 0.260) 0.426 19.353 ( -0.000 2.216 0.248) 2.230 38.595 ( -0.000 0.926 1.229) 1.539 63.061 ( 0.000 -45.920 6.986) 46.448 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 15.634 13.008 4.482) 20.826 3.362 ( -3.926 -28.791 14.784) 32.602 3.784 ( -0.581 25.123 -3.277) 25.342 6.262 ( 0.535 0.598 -3.061) 3.164 6.362 ( -0.405 -1.373 5.776) 5.951 6.596 ( -2.667 -5.568 -7.654) 9.834 6.901 ( 4.041 2.830 -2.003) 5.324 8.949 ( 1.289 21.499 -0.436) 21.542 19.255 ( 0.708 0.378 0.213) 0.831 19.375 ( -0.079 1.966 0.443) 2.017 38.609 ( 0.029 0.857 0.724) 1.122 62.592 ( -7.427 -41.553 5.481) 42.566 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 8.343 -3.044 5.557) 10.476 3.125 ( 8.103 -10.991 2.465) 13.876 4.005 ( -1.848 21.763 4.524) 22.305 6.254 ( -0.861 -1.013 -3.096) 3.369 6.359 ( -0.845 -1.675 4.311) 4.701 6.498 ( -0.742 -1.126 -3.370) 3.630 7.007 ( 5.530 3.347 -1.304) 6.594 9.134 ( 0.492 13.577 -2.070) 13.743 19.277 ( 1.260 0.554 0.078) 1.378 19.390 ( -0.362 1.456 0.541) 1.595 38.617 ( -0.094 0.405 0.169) 0.449 62.079 ( -11.297 -33.692 3.355) 35.694 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.000 10.943 4.843) 11.967 3.150 ( -0.000 -29.960 9.054) 31.298 4.047 ( -0.000 23.843 5.903) 24.563 6.242 ( 0.000 0.597 -4.344) 4.384 6.390 ( -0.000 -1.755 9.178) 9.344 6.535 ( 0.000 -3.774 -8.384) 9.194 6.880 ( 0.000 2.382 -1.278) 2.703 9.135 ( -0.000 18.729 -3.343) 19.025 19.253 ( -0.000 0.249 0.252) 0.354 19.399 ( -0.000 1.946 0.820) 2.112 38.619 ( -0.000 0.744 0.177) 0.765 62.283 ( 0.000 -38.517 5.452) 38.901 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 11.393 4.705 5.820) 13.631 2.903 ( 1.204 -21.879 6.506) 22.857 4.283 ( -1.779 20.427 9.737) 22.699 6.231 ( -0.042 0.166 -5.504) 5.507 6.395 ( -1.210 -3.053 8.119) 8.758 6.480 ( -0.160 0.568 -3.690) 3.737 6.937 ( 4.457 2.222 -1.193) 5.121 9.257 ( -1.398 12.227 -6.520) 13.927 19.263 ( 0.812 0.228 0.194) 0.865 19.417 ( -0.412 1.664 1.062) 2.016 38.623 ( -0.170 0.342 -0.341) 0.512 61.912 ( -5.135 -31.925 4.688) 32.674 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -0.000 6.689 5.491) 8.654 2.707 ( -0.000 -23.253 10.636) 25.570 4.533 ( -0.000 17.267 12.910) 21.560 6.217 ( 0.000 0.857 -4.514) 4.595 6.379 ( 0.000 -3.066 -2.034) 3.679 6.508 ( -0.000 2.166 7.169) 7.489 6.911 ( 0.000 1.873 -1.091) 2.167 9.333 ( 0.000 7.533 -10.754) 13.130 19.259 ( -0.000 0.098 0.271) 0.288 19.442 ( -0.000 1.496 1.376) 2.032 38.624 ( 0.000 0.070 -0.754) 0.758 61.686 ( 0.000 -27.012 5.202) 27.508 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -0.000 0.000 7.973) 7.973 0.740 ( -0.000 0.000 7.973) 7.973 4.183 ( -0.000 0.000 50.049) 50.049 6.211 ( -0.000 0.000 3.415) 3.415 6.211 ( -0.000 0.000 3.415) 3.415 6.813 ( 0.000 -0.000 -6.737) 6.737 6.813 ( 0.000 -0.000 -6.737) 6.737 8.158 ( 0.000 -0.000 -23.446) 23.446 19.216 ( -0.000 0.000 0.443) 0.443 19.216 ( -0.000 0.000 0.443) 0.443 38.599 ( 0.000 -0.000 -0.493) 0.493 65.617 ( 0.000 -0.000 -0.020) 0.020 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 15.953 9.211 4.261) 18.908 1.136 ( 29.113 16.809 8.923) 34.781 4.348 ( -4.146 -2.394 43.720) 43.981 6.176 ( -2.288 -1.321 4.174) 4.940 6.311 ( 4.779 2.759 1.088) 5.625 6.787 ( 0.501 0.289 -5.934) 5.962 6.867 ( 6.432 3.714 -6.578) 9.922 8.037 ( -0.853 -0.493 -21.851) 21.874 19.220 ( 0.190 0.110 0.396) 0.453 19.232 ( 1.206 0.696 0.200) 1.407 38.585 ( -0.941 -0.544 0.108) 1.092 65.370 ( -21.114 -12.190 3.192) 24.588 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 18.425 10.638 2.063) 21.375 1.907 ( 33.602 19.400 9.661) 39.985 4.370 ( -8.853 -5.111 31.328) 32.954 6.148 ( -1.871 -1.080 4.723) 5.193 6.403 ( 3.297 1.903 -1.416) 4.061 6.784 ( 1.251 0.722 -4.607) 4.828 6.968 ( 3.056 1.764 -8.524) 9.226 8.007 ( 7.499 4.329 -14.731) 17.087 19.228 ( 0.351 0.203 0.312) 0.511 19.269 ( 2.019 1.166 -0.197) 2.340 38.568 ( -0.635 -0.367 1.108) 1.329 64.760 ( -33.650 -19.428 6.955) 39.473 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 17.073 9.857 0.148) 19.715 2.680 ( 29.858 17.238 11.308) 36.284 4.227 ( -12.141 -7.010 13.159) 19.227 6.137 ( -1.012 -0.584 5.011) 5.145 6.448 ( 1.337 0.772 -1.383) 2.073 6.801 ( 1.721 0.994 -2.952) 3.559 6.886 ( -5.402 -3.119 -11.251) 12.865 8.265 ( 17.741 10.243 -4.894) 21.062 19.238 ( 0.428 0.247 0.180) 0.526 19.318 ( 2.376 1.372 -0.553) 2.799 38.570 ( 0.219 0.126 1.651) 1.670 63.967 ( -38.513 -22.236 6.672) 44.969 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 13.963 8.062 -2.023) 16.250 3.266 ( 12.033 6.947 16.985) 21.944 4.011 ( -2.962 -1.710 -11.090) 11.605 6.148 ( 0.004 0.002 5.093) 5.093 6.457 ( -0.479 -0.276 1.366) 1.474 6.691 ( -6.254 -3.611 -11.546) 13.619 6.833 ( 1.838 1.061 -1.277) 2.477 8.681 ( 18.317 10.576 1.921) 21.238 19.248 ( 0.396 0.229 0.012) 0.458 19.368 ( 2.304 1.330 -0.859) 2.795 38.589 ( 0.736 0.425 1.592) 1.804 63.123 ( -37.543 -21.676 2.870) 43.446 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 10.053 5.804 -4.112) 12.315 3.180 ( -18.342 -10.590 3.608) 21.485 4.194 ( 19.192 11.080 -14.630) 26.555 6.179 ( 0.689 0.398 4.943) 5.007 6.436 ( -3.220 -1.859 6.519) 7.504 6.540 ( -1.455 -0.840 -13.503) 13.607 6.871 ( 1.741 1.005 0.144) 2.015 9.065 ( 13.494 7.791 6.980) 17.074 19.255 ( 0.267 0.154 -0.155) 0.345 19.412 ( 1.895 1.094 -1.138) 2.466 38.612 ( 0.612 0.353 1.196) 1.390 62.333 ( -32.104 -18.535 -1.924) 37.120 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.000 14.177 8.270) 16.412 1.273 ( -0.000 36.249 4.168) 36.487 4.528 ( -0.000 -6.671 39.444) 40.004 6.237 ( -0.000 1.342 3.291) 3.554 6.275 ( -0.000 1.315 2.005) 2.398 6.770 ( 0.000 1.187 -6.157) 6.270 6.836 ( 0.000 7.819 -5.799) 9.735 7.936 ( 0.000 -1.170 -20.627) 20.660 19.222 ( -0.000 0.193 0.349) 0.399 19.232 ( -0.000 1.238 0.219) 1.257 38.586 ( 0.000 -0.895 0.101) 0.901 65.379 ( 0.000 -23.718 2.512) 23.850 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 16.432 16.705 5.018) 23.963 1.781 ( 14.883 35.128 5.251) 38.511 4.550 ( -5.405 -11.358 29.437) 32.012 6.212 ( -3.380 0.726 3.950) 5.249 6.351 ( 3.986 1.185 -0.475) 4.186 6.764 ( 0.613 1.982 -4.693) 5.131 6.918 ( 2.366 5.689 -7.012) 9.334 7.887 ( 3.923 4.492 -14.422) 15.607 19.228 ( 0.212 0.312 0.287) 0.474 19.256 ( 1.019 1.573 0.005) 1.874 38.576 ( -0.316 -0.602 0.734) 1.001 64.971 ( -17.163 -30.869 4.579) 35.615 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 14.162 19.698 1.223) 24.292 2.451 ( 23.995 26.201 7.420) 36.295 4.381 ( -10.727 -15.355 15.116) 24.069 6.188 ( -2.358 0.564 4.451) 5.068 6.410 ( 2.726 0.455 -2.064) 3.450 6.787 ( 1.093 2.765 -2.677) 4.001 6.890 ( -3.494 -2.244 -8.698) 9.639 8.085 ( 13.703 13.626 -5.656) 20.136 19.237 ( 0.295 0.484 0.189) 0.598 19.295 ( 1.736 1.597 -0.267) 2.374 38.575 ( 0.074 0.022 1.203) 1.205 64.287 ( -27.831 -33.390 4.916) 43.745 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 9.205 20.888 -1.423) 22.871 3.115 ( 23.225 16.472 10.710) 30.421 4.043 ( -12.707 -15.925 -2.792) 20.564 6.185 ( -1.203 0.796 4.756) 4.970 6.438 ( 1.790 -0.224 -2.248) 2.882 6.717 ( -6.364 -5.701 -6.054) 10.472 6.835 ( 0.755 4.208 -1.457) 4.517 8.495 ( 17.744 14.939 -0.200) 23.196 19.248 ( 0.232 0.648 0.056) 0.691 19.340 ( 2.061 1.356 -0.539) 2.525 38.588 ( 0.566 0.448 1.150) 1.358 63.467 ( -32.124 -31.951 2.395) 45.371 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 4.244 19.879 -3.511) 20.627 3.367 ( -13.558 -12.954 10.312) 21.401 3.898 ( 18.009 7.860 -16.264) 25.507 6.203 ( -0.301 0.821 5.132) 5.206 6.451 ( 1.656 -0.412 -3.507) 3.900 6.536 ( -5.927 -4.949 -2.241) 8.040 6.886 ( 0.300 4.766 0.196) 4.779 8.923 ( 16.031 10.980 3.474) 19.738 19.257 ( 0.046 0.765 -0.087) 0.771 19.383 ( 2.001 0.941 -0.809) 2.354 38.609 ( 0.683 0.418 0.753) 1.099 62.639 ( -30.860 -27.323 -1.524) 41.246 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -0.000 20.101 6.719) 21.194 2.063 ( -0.000 39.837 2.526) 39.917 4.574 ( -0.000 -17.291 22.485) 28.365 6.292 ( 0.000 -0.183 -0.795) 0.816 6.299 ( -0.000 1.769 3.363) 3.800 6.757 ( 0.000 2.234 -4.199) 4.757 6.927 ( 0.000 4.045 -7.549) 8.564 7.864 ( 0.000 10.780 -8.969) 14.023 19.230 ( -0.000 0.322 0.244) 0.404 19.265 ( -0.000 1.972 0.048) 1.973 38.576 ( -0.000 -0.382 0.818) 0.902 64.791 ( 0.000 -38.661 4.525) 38.924 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 14.284 20.012 4.454) 24.987 2.516 ( 7.596 35.678 2.822) 36.587 4.407 ( -6.260 -21.960 12.784) 26.170 6.252 ( -2.407 0.336 1.328) 2.770 6.361 ( 2.476 0.558 0.066) 2.539 6.780 ( 1.495 2.567 -2.372) 3.801 6.882 ( -2.222 -2.609 -7.959) 8.665 8.047 ( 6.967 19.353 -2.843) 20.765 19.237 ( 0.330 0.436 0.184) 0.577 19.292 ( 0.673 2.053 -0.015) 2.161 38.579 ( 0.060 0.150 0.927) 0.941 64.291 ( -13.820 -41.755 4.315) 44.193 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 14.394 22.011 1.185) 26.326 3.020 ( 13.813 26.384 4.479) 30.116 4.059 ( -11.650 -24.032 2.246) 26.801 6.234 ( -1.241 0.824 2.176) 2.638 6.393 ( 1.576 -0.275 -1.348) 2.092 6.729 ( -4.591 -6.645 -3.827) 8.938 6.852 ( 1.974 4.413 -1.800) 5.158 8.408 ( 12.005 20.388 -0.152) 23.660 19.250 ( 0.431 0.694 0.096) 0.823 19.326 ( 1.140 1.739 -0.137) 2.084 38.590 ( 0.339 0.561 0.716) 0.971 63.589 ( -22.471 -40.259 2.458) 46.171 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 6.583 24.223 -1.804) 25.167 3.475 ( 1.195 1.490 17.473) 17.577 3.638 ( 1.833 -7.260 -18.829) 20.264 6.243 ( -0.472 1.079 3.337) 3.539 6.397 ( 0.879 -1.107 -3.742) 4.001 6.571 ( -4.613 -6.044 0.261) 7.608 6.930 ( 1.466 5.664 0.186) 5.854 8.805 ( 13.179 15.252 0.954) 20.180 19.265 ( 0.241 1.042 -0.006) 1.070 19.361 ( 1.400 1.123 -0.314) 1.822 38.605 ( 0.501 0.547 0.254) 0.784 62.811 ( -25.562 -34.848 -0.589) 43.222 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -0.000 18.838 4.954) 19.478 2.832 ( -0.000 36.939 0.735) 36.946 4.271 ( -0.000 -26.474 8.833) 27.909 6.261 ( 0.000 -0.679 -3.507) 3.572 6.362 ( -0.000 1.248 4.315) 4.492 6.781 ( 0.000 2.827 -1.846) 3.376 6.826 ( 0.000 -5.905 -6.929) 9.104 8.202 ( -0.000 24.628 0.026) 24.628 19.238 ( -0.000 0.386 0.165) 0.420 19.309 ( -0.000 2.338 0.167) 2.344 38.585 ( -0.000 0.485 0.685) 0.839 63.993 ( 0.000 -45.759 3.917) 45.926 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 14.591 17.637 3.592) 23.171 3.199 ( 2.570 32.697 -1.079) 32.815 3.977 ( -6.603 -28.076 6.061) 29.472 6.241 ( 0.347 -0.101 -3.339) 3.358 6.391 ( -0.325 0.680 4.011) 4.081 6.706 ( -2.697 -7.586 -3.758) 8.885 6.834 ( 3.116 3.136 -1.403) 4.638 8.492 ( 4.607 24.538 0.324) 24.969 19.247 ( 0.496 0.474 0.113) 0.696 19.335 ( 0.235 2.250 0.275) 2.279 38.594 ( 0.134 0.760 0.279) 0.821 63.465 ( -10.914 -44.895 2.682) 46.280 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -0.000 15.352 3.923) 15.846 3.463 ( 0.000 23.916 -11.440) 26.511 3.816 ( -0.000 -21.118 16.632) 26.882 6.215 ( 0.000 -0.044 -4.829) 4.829 6.428 ( -0.000 1.070 5.692) 5.792 6.634 ( 0.000 -8.372 -3.079) 8.920 6.826 ( -0.000 2.665 -0.429) 2.699 8.700 ( -0.000 24.263 -0.824) 24.277 19.247 ( -0.000 0.383 0.136) 0.407 19.359 ( -0.000 2.409 0.588) 2.479 38.602 ( 0.000 0.901 -0.224) 0.928 63.124 ( 0.000 -44.925 2.433) 44.991 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -0.000 0.000 5.173) 5.173 0.828 ( -0.000 0.000 5.173) 5.173 4.769 ( -0.000 0.000 37.105) 37.105 6.256 ( -0.000 0.000 3.151) 3.151 6.256 ( -0.000 0.000 3.151) 3.151 6.731 ( 0.000 -0.000 -5.459) 5.459 6.731 ( 0.000 -0.000 -5.459) 5.459 7.856 ( 0.000 -0.000 -20.942) 20.942 19.221 ( -0.000 0.000 0.300) 0.300 19.221 ( -0.000 0.000 0.300) 0.300 38.594 ( 0.000 -0.000 -0.343) 0.343 65.617 ( 0.000 -0.000 -0.010) 0.010 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 14.813 8.553 1.432) 17.165 1.236 ( 29.832 17.224 6.041) 34.973 4.836 ( -7.233 -4.176 28.512) 29.710 6.232 ( -1.838 -1.061 4.098) 4.614 6.321 ( 2.998 1.731 0.348) 3.479 6.719 ( 0.934 0.539 -4.154) 4.292 6.789 ( 6.111 3.528 -4.833) 8.552 7.775 ( 1.314 0.759 -16.421) 16.491 19.225 ( 0.180 0.104 0.233) 0.312 19.235 ( 1.046 0.604 0.149) 1.217 38.587 ( -0.453 -0.262 0.064) 0.527 65.398 ( -18.881 -10.901 1.268) 21.839 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 17.890 10.329 -0.828) 20.674 2.012 ( 34.563 19.955 6.041) 40.364 4.688 ( -14.613 -8.437 15.533) 22.935 6.212 ( -1.622 -0.937 4.680) 5.041 6.380 ( 2.534 1.463 -2.175) 3.646 6.735 ( 1.810 1.045 -2.497) 3.256 6.873 ( 1.259 0.727 -4.900) 5.111 7.852 ( 11.885 6.862 -8.167) 15.969 19.231 ( 0.319 0.184 0.136) 0.393 19.268 ( 1.810 1.045 -0.091) 2.092 38.580 ( -0.175 -0.101 0.568) 0.603 64.819 ( -32.203 -18.592 2.274) 37.254 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 16.510 9.532 -2.502) 19.228 2.795 ( 31.919 18.428 5.954) 37.334 4.325 ( -20.500 -11.836 1.385) 23.712 6.204 ( -0.920 -0.531 4.925) 5.038 6.416 ( 1.786 1.031 -3.455) 4.024 6.775 ( 2.280 1.316 -0.874) 2.773 6.792 ( -5.980 -3.452 -2.233) 7.257 8.218 ( 20.880 12.055 -2.327) 24.222 19.240 ( 0.374 0.216 0.007) 0.432 19.312 ( 2.160 1.247 -0.341) 2.517 38.585 ( 0.426 0.246 0.597) 0.774 64.014 ( -38.819 -22.412 0.812) 44.832 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 14.886 5.255) 15.786 1.306 ( -0.000 35.927 0.813) 35.936 4.944 ( -0.000 -9.867 21.628) 23.773 6.282 ( -0.000 1.187 3.197) 3.410 6.292 ( -0.000 0.104 0.260) 0.280 6.704 ( 0.000 1.345 -3.491) 3.741 6.771 ( 0.000 7.311 -3.626) 8.161 7.706 ( 0.000 1.818 -12.538) 12.669 19.225 ( -0.000 0.192 0.174) 0.259 19.235 ( -0.000 1.136 0.132) 1.143 38.587 ( 0.000 -0.414 0.053) 0.417 65.401 ( 0.000 -21.611 0.962) 21.633 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 12.901 18.305 1.770) 22.464 1.827 ( 17.872 34.284 1.727) 38.701 4.827 ( -8.042 -14.929 11.199) 20.321 6.258 ( -2.041 -0.168 2.364) 3.128 6.341 ( 2.344 1.123 -0.789) 2.717 6.720 ( 1.215 2.248 -1.778) 3.113 6.845 ( 1.695 3.812 -3.211) 5.265 7.749 ( 5.572 8.783 -5.586) 11.806 19.230 ( 0.194 0.316 0.101) 0.384 19.256 ( 0.903 1.497 0.021) 1.749 38.583 ( -0.108 -0.206 0.269) 0.356 65.009 ( -16.669 -29.274 1.311) 33.712 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 11.952 20.940 -1.687) 24.170 2.517 ( 26.200 25.894 2.569) 36.926 4.489 ( -15.419 -18.406 0.884) 24.027 6.240 ( -1.148 -0.287 2.909) 3.141 6.378 ( 1.683 0.847 -2.339) 3.004 6.768 ( 1.527 3.421 -0.367) 3.764 6.826 ( -2.892 -3.583 -0.248) 4.612 8.038 ( 14.840 16.182 -1.439) 22.003 19.238 ( 0.248 0.493 0.003) 0.552 19.292 ( 1.553 1.554 -0.121) 2.200 38.584 ( 0.201 0.206 0.167) 0.333 64.319 ( -28.228 -32.769 0.105) 43.251 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 20.214 3.898) 20.586 2.066 ( -0.000 40.351 -2.025) 40.402 4.761 ( -0.000 -19.871 4.749) 20.431 6.266 ( 0.000 -1.213 -3.145) 3.371 6.344 ( -0.000 2.110 3.194) 3.828 6.723 ( 0.000 2.413 -0.775) 2.534 6.856 ( 0.000 1.705 -2.399) 2.943 7.800 ( -0.000 14.922 -0.499) 14.931 19.232 ( -0.000 0.339 0.060) 0.344 19.266 ( -0.000 1.970 0.084) 1.972 38.583 ( -0.000 -0.067 0.145) 0.160 64.827 ( 0.000 -37.198 1.044) 37.212 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -0.000 0.000 1.796) 1.796 0.875 ( -0.000 0.000 1.796) 1.796 5.125 ( -0.000 0.000 14.697) 14.697 6.288 ( -0.000 0.000 1.430) 1.430 6.288 ( -0.000 0.000 1.430) 1.430 6.677 ( 0.000 -0.000 -2.257) 2.257 6.677 ( 0.000 -0.000 -2.257) 2.257 7.644 ( 0.000 -0.000 -9.275) 9.275 19.224 ( -0.000 0.000 0.106) 0.106 19.224 ( -0.000 0.000 0.106) 0.106 38.591 ( 0.000 -0.000 -0.123) 0.123 65.617 ( 0.000 -0.000 -0.003) 0.003 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 6.10e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 13.768 7.949 -1.857) 16.006 1.294 ( 30.519 17.620 2.671) 35.341 5.064 ( -9.189 -5.305 4.396) 11.485 6.278 ( -1.039 -0.600 2.424) 2.705 6.315 ( 1.634 0.943 -1.503) 2.412 6.684 ( 1.210 0.699 -0.702) 1.564 6.750 ( 5.931 3.424 -0.683) 6.883 7.638 ( 2.789 1.610 -2.936) 4.358 19.226 ( 0.171 0.099 0.032) 0.200 19.236 ( 0.979 0.565 0.014) 1.131 38.587 ( -0.242 -0.140 0.006) 0.279 65.407 ( -18.221 -10.520 0.101) 21.040 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 114.800 114.800 65.979 0.000 -0.000 0.000 3/40500 20.0 110.755 110.755 69.265 0.000 -0.000 0.000 3/40500 30.0 107.842 107.842 68.783 0.000 -0.000 0.000 3/40500 40.0 92.442 92.442 59.640 0.000 -0.000 0.000 3/40500 50.0 74.736 74.736 49.351 0.000 -0.000 0.000 3/40500 60.0 60.249 60.249 40.915 0.000 -0.000 0.000 3/40500 70.0 49.481 49.481 34.548 0.000 -0.000 0.000 3/40500 80.0 41.587 41.587 29.785 0.000 -0.000 0.000 3/40500 90.0 35.715 35.715 26.162 0.000 -0.000 0.000 3/40500 100.0 31.242 31.242 23.338 0.000 -0.000 0.000 3/40500 110.0 27.752 27.752 21.083 0.000 -0.000 0.000 3/40500 120.0 24.965 24.965 19.241 0.000 -0.000 0.000 3/40500 130.0 22.693 22.693 17.708 0.000 -0.000 0.000 3/40500 140.0 20.809 20.809 16.410 0.000 -0.000 0.000 3/40500 150.0 19.220 19.220 15.296 0.000 -0.000 0.000 3/40500 160.0 17.864 17.864 14.329 0.000 -0.000 0.000 3/40500 170.0 16.691 16.691 13.480 0.000 -0.000 0.000 3/40500 180.0 15.667 15.667 12.728 0.000 -0.000 0.000 3/40500 190.0 14.765 14.765 12.058 0.000 -0.000 0.000 3/40500 200.0 13.964 13.964 11.456 0.000 -0.000 0.000 3/40500 210.0 13.248 13.248 10.912 0.000 -0.000 0.000 3/40500 220.0 12.603 12.603 10.419 0.000 -0.000 0.000 3/40500 230.0 12.020 12.020 9.968 0.000 -0.000 0.000 3/40500 240.0 11.490 11.490 9.556 0.000 -0.000 0.000 3/40500 250.0 11.006 11.006 9.177 0.000 -0.000 0.000 3/40500 260.0 10.562 10.562 8.828 0.000 -0.000 0.000 3/40500 270.0 10.154 10.154 8.505 0.000 -0.000 0.000 3/40500 280.0 9.777 9.777 8.205 0.000 -0.000 0.000 3/40500 290.0 9.428 9.428 7.927 0.000 -0.000 0.000 3/40500 300.0 9.104 9.104 7.668 0.000 -0.000 0.000 3/40500 310.0 8.802 8.802 7.426 0.000 -0.000 0.000 3/40500 320.0 8.521 8.521 7.200 0.000 -0.000 0.000 3/40500 330.0 8.258 8.258 6.989 0.000 -0.000 0.000 3/40500 340.0 8.012 8.012 6.790 0.000 -0.000 0.000 3/40500 350.0 7.781 7.781 6.604 0.000 -0.000 0.000 3/40500 360.0 7.564 7.564 6.430 0.000 -0.000 0.000 3/40500 370.0 7.359 7.359 6.265 0.000 -0.000 0.000 3/40500 380.0 7.167 7.167 6.110 0.000 -0.000 0.000 3/40500 390.0 6.985 6.985 5.965 0.000 -0.000 0.000 3/40500 400.0 6.814 6.814 5.827 0.000 -0.000 0.000 3/40500 410.0 6.651 6.651 5.698 0.000 -0.000 0.000 3/40500 420.0 6.497 6.497 5.575 0.000 -0.000 0.000 3/40500 430.0 6.352 6.352 5.459 0.000 -0.000 0.000 3/40500 440.0 6.213 6.213 5.350 0.000 -0.000 0.000 3/40500 450.0 6.082 6.082 5.246 0.000 -0.000 0.000 3/40500 460.0 5.957 5.957 5.148 0.000 -0.000 0.000 3/40500 470.0 5.838 5.838 5.055 0.000 -0.000 0.000 3/40500 480.0 5.724 5.724 4.967 0.000 -0.000 0.000 3/40500 490.0 5.616 5.616 4.883 0.000 -0.000 0.000 3/40500 500.0 5.513 5.513 4.803 0.000 -0.000 0.000 3/40500 510.0 5.414 5.414 4.727 0.000 -0.000 0.000 3/40500 520.0 5.320 5.320 4.655 0.000 -0.000 0.000 3/40500 530.0 5.230 5.230 4.587 0.000 -0.000 0.000 3/40500 540.0 5.143 5.143 4.522 0.000 -0.000 0.000 3/40500 550.0 5.061 5.061 4.459 0.000 -0.000 0.000 3/40500 560.0 4.981 4.981 4.400 0.000 -0.000 0.000 3/40500 570.0 4.905 4.905 4.343 0.000 -0.000 0.000 3/40500 580.0 4.831 4.831 4.289 0.000 -0.000 0.000 3/40500 590.0 4.761 4.761 4.237 0.000 -0.000 0.000 3/40500 600.0 4.693 4.693 4.187 0.000 -0.000 0.000 3/40500 610.0 4.627 4.627 4.140 0.000 -0.000 0.000 3/40500 620.0 4.564 4.564 4.094 0.000 -0.000 0.000 3/40500 630.0 4.504 4.504 4.050 0.000 -0.000 0.000 3/40500 640.0 4.445 4.445 4.008 0.000 -0.000 0.000 3/40500 650.0 4.388 4.388 3.967 0.000 -0.000 0.000 3/40500 660.0 4.333 4.333 3.928 0.000 -0.000 0.000 3/40500 670.0 4.280 4.280 3.891 0.000 -0.000 0.000 3/40500 680.0 4.229 4.229 3.854 0.000 -0.000 0.000 3/40500 690.0 4.179 4.179 3.819 0.000 -0.000 0.000 3/40500 700.0 4.131 4.131 3.785 0.000 -0.000 0.000 3/40500 710.0 4.084 4.084 3.753 0.000 -0.000 0.000 3/40500 720.0 4.039 4.039 3.721 0.000 -0.000 0.000 3/40500 730.0 3.995 3.995 3.690 0.000 -0.000 0.000 3/40500 740.0 3.952 3.952 3.661 0.000 -0.000 0.000 3/40500 750.0 3.911 3.911 3.632 0.000 -0.000 0.000 3/40500 760.0 3.870 3.870 3.604 0.000 -0.000 0.000 3/40500 770.0 3.831 3.831 3.577 0.000 -0.000 0.000 3/40500 780.0 3.792 3.792 3.550 0.000 -0.000 0.000 3/40500 790.0 3.755 3.755 3.524 0.000 -0.000 0.000 3/40500 800.0 3.719 3.719 3.499 0.000 -0.000 0.000 3/40500 810.0 3.683 3.683 3.475 0.000 -0.000 0.000 3/40500 820.0 3.648 3.648 3.451 0.000 -0.000 0.000 3/40500 830.0 3.615 3.615 3.428 0.000 -0.000 0.000 3/40500 840.0 3.582 3.582 3.405 0.000 -0.000 0.000 3/40500 850.0 3.549 3.549 3.383 0.000 -0.000 0.000 3/40500 860.0 3.518 3.518 3.361 0.000 -0.000 0.000 3/40500 870.0 3.487 3.487 3.340 0.000 -0.000 0.000 3/40500 880.0 3.457 3.457 3.319 0.000 -0.000 0.000 3/40500 890.0 3.427 3.427 3.299 0.000 -0.000 0.000 3/40500 900.0 3.398 3.398 3.279 0.000 -0.000 0.000 3/40500 910.0 3.370 3.370 3.259 0.000 -0.000 0.000 3/40500 920.0 3.342 3.342 3.240 0.000 -0.000 0.000 3/40500 930.0 3.315 3.315 3.221 0.000 -0.000 0.000 3/40500 940.0 3.288 3.288 3.202 0.000 -0.000 0.000 3/40500 950.0 3.262 3.262 3.184 0.000 -0.000 0.000 3/40500 960.0 3.236 3.236 3.166 0.000 -0.000 0.000 3/40500 970.0 3.211 3.211 3.148 0.000 -0.000 0.000 3/40500 980.0 3.187 3.187 3.131 0.000 -0.000 0.000 3/40500 990.0 3.162 3.162 3.114 0.000 -0.000 0.000 3/40500 1000.0 3.139 3.139 3.097 0.000 -0.000 0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:03:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|