----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:24:03]------------------------- 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 1.522720083741590 0.879142850248655 4.625243546666662 b -1.522720083741587 0.879142850248655 4.625243546666662 c 0.000000000000002 -1.758285700497313 4.625243546666662 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 O 0.74251934667243 0.74251934667243 0.74251934667243 15.999 3 O 0.25748065332757 0.25748065332757 0.25748065332757 15.999 *4 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.045440167483178 0.000000000000000 0.000000000000000 b -1.522720083741589 2.637428550745968 0.000000000000000 c 0.000000000000000 0.000000000000000 13.875730640000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 O 0.66666666666667 0.33333333333333 0.07585268000576 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.25748065332757 15.999 > 3 6 O 0.33333333333333 0.66666666666667 0.40918601333910 15.999 > 2 7 O 0.66666666666667 0.33333333333333 0.59081398666090 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.74251934667243 15.999 > 2 9 O 0.33333333333333 0.66666666666667 0.92414731999424 15.999 > 3 *10 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 4 11 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 4 12 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.136320502449534 0.000000000000000 0.000000000000000 b -4.568160251224767 7.912285652237903 0.000000000000000 c 0.000000000000000 0.000000000000000 13.875730640000000 Atomic positions (fractional): *1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 *28 O 0.22222222222222 0.11111111111111 0.07585268000576 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.07585268000576 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.07585268000576 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.07585268000576 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.07585268000576 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.07585268000576 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.07585268000576 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.07585268000576 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.07585268000576 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.25748065332757 15.999 > 3 38 O 0.33333333333333 0.00000000000000 0.25748065332757 15.999 > 3 39 O 0.66666666666667 0.00000000000000 0.25748065332757 15.999 > 3 40 O 0.00000000000000 0.33333333333333 0.25748065332757 15.999 > 3 41 O 0.33333333333333 0.33333333333333 0.25748065332757 15.999 > 3 42 O 0.66666666666667 0.33333333333333 0.25748065332757 15.999 > 3 43 O 0.00000000000000 0.66666666666667 0.25748065332757 15.999 > 3 44 O 0.33333333333333 0.66666666666667 0.25748065332757 15.999 > 3 45 O 0.66666666666667 0.66666666666667 0.25748065332757 15.999 > 3 46 O 0.11111111111111 0.22222222222222 0.40918601333910 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.40918601333910 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.40918601333910 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.40918601333910 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.40918601333910 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.40918601333910 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.40918601333910 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.40918601333910 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.40918601333910 15.999 > 2 55 O 0.22222222222222 0.11111111111111 0.59081398666090 15.999 > 3 56 O 0.55555555555556 0.11111111111111 0.59081398666090 15.999 > 3 57 O 0.88888888888889 0.11111111111111 0.59081398666090 15.999 > 3 58 O 0.22222222222222 0.44444444444444 0.59081398666090 15.999 > 3 59 O 0.55555555555556 0.44444444444444 0.59081398666090 15.999 > 3 60 O 0.88888888888889 0.44444444444444 0.59081398666090 15.999 > 3 61 O 0.22222222222222 0.77777777777778 0.59081398666090 15.999 > 3 62 O 0.55555555555556 0.77777777777778 0.59081398666090 15.999 > 3 63 O 0.88888888888889 0.77777777777778 0.59081398666090 15.999 > 3 64 O 0.00000000000000 0.00000000000000 0.74251934667243 15.999 > 2 65 O 0.33333333333333 0.00000000000000 0.74251934667243 15.999 > 2 66 O 0.66666666666667 0.00000000000000 0.74251934667243 15.999 > 2 67 O 0.00000000000000 0.33333333333333 0.74251934667243 15.999 > 2 68 O 0.33333333333333 0.33333333333333 0.74251934667243 15.999 > 2 69 O 0.66666666666667 0.33333333333333 0.74251934667243 15.999 > 2 70 O 0.00000000000000 0.66666666666667 0.74251934667243 15.999 > 2 71 O 0.33333333333333 0.66666666666667 0.74251934667243 15.999 > 2 72 O 0.66666666666667 0.66666666666667 0.74251934667243 15.999 > 2 73 O 0.11111111111111 0.22222222222222 0.92414731999424 15.999 > 3 74 O 0.44444444444444 0.22222222222222 0.92414731999424 15.999 > 3 75 O 0.77777777777778 0.22222222222222 0.92414731999424 15.999 > 3 76 O 0.11111111111111 0.55555555555556 0.92414731999424 15.999 > 3 77 O 0.44444444444444 0.55555555555556 0.92414731999424 15.999 > 3 78 O 0.77777777777778 0.55555555555556 0.92414731999424 15.999 > 3 79 O 0.11111111111111 0.88888888888889 0.92414731999424 15.999 > 3 80 O 0.44444444444444 0.88888888888889 0.92414731999424 15.999 > 3 81 O 0.77777777777778 0.88888888888889 0.92414731999424 15.999 > 3 *82 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 4 83 Rh 0.33333333333333 0.00000000000000 0.00000000000000 102.906 > 4 84 Rh 0.66666666666667 0.00000000000000 0.00000000000000 102.906 > 4 85 Rh 0.00000000000000 0.33333333333333 0.00000000000000 102.906 > 4 86 Rh 0.33333333333333 0.33333333333333 0.00000000000000 102.906 > 4 87 Rh 0.66666666666667 0.33333333333333 0.00000000000000 102.906 > 4 88 Rh 0.00000000000000 0.66666666666667 0.00000000000000 102.906 > 4 89 Rh 0.33333333333333 0.66666666666667 0.00000000000000 102.906 > 4 90 Rh 0.66666666666667 0.66666666666667 0.00000000000000 102.906 > 4 91 Rh 0.22222222222222 0.11111111111111 0.33333333333333 102.906 > 4 92 Rh 0.55555555555556 0.11111111111111 0.33333333333333 102.906 > 4 93 Rh 0.88888888888889 0.11111111111111 0.33333333333333 102.906 > 4 94 Rh 0.22222222222222 0.44444444444444 0.33333333333333 102.906 > 4 95 Rh 0.55555555555556 0.44444444444444 0.33333333333333 102.906 > 4 96 Rh 0.88888888888889 0.44444444444444 0.33333333333333 102.906 > 4 97 Rh 0.22222222222222 0.77777777777778 0.33333333333333 102.906 > 4 98 Rh 0.55555555555556 0.77777777777778 0.33333333333333 102.906 > 4 99 Rh 0.88888888888889 0.77777777777778 0.33333333333333 102.906 > 4 100 Rh 0.11111111111111 0.22222222222222 0.66666666666667 102.906 > 4 101 Rh 0.44444444444444 0.22222222222222 0.66666666666667 102.906 > 4 102 Rh 0.77777777777778 0.22222222222222 0.66666666666667 102.906 > 4 103 Rh 0.11111111111111 0.55555555555556 0.66666666666667 102.906 > 4 104 Rh 0.44444444444444 0.55555555555556 0.66666666666667 102.906 > 4 105 Rh 0.77777777777778 0.55555555555556 0.66666666666667 102.906 > 4 106 Rh 0.11111111111111 0.88888888888889 0.66666666666667 102.906 > 4 107 Rh 0.44444444444444 0.88888888888889 0.66666666666667 102.906 > 4 108 Rh 0.77777777777778 0.88888888888889 0.66666666666667 102.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9376180 0.0000000 0.0000000 0.0000000 8.9376180 0.0000000 0.0000000 0.0000000 4.5587407 -------------------------- Born effective charges -------------------------- 1 Li 1.2587815 -0.0000000 0.0000000 0.0000000 1.2587815 0.0000000 0.0000000 0.0000000 1.7529549 2 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 3 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 4 Rh 3.3108353 0.0000000 0.0000000 0.0000000 3.3108353 0.0000000 0.0000000 0.0000000 0.9435300 ---------------------------------------------------------------------------- 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: 193 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: 0.142 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.150 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 193 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:24:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.522720083741590 0.879142850248655 4.625243546666662 b -1.522720083741587 0.879142850248655 4.625243546666662 c 0.000000000000002 -1.758285700497313 4.625243546666662 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 O 0.74251934667243 0.74251934667243 0.74251934667243 15.999 3 O 0.25748065332757 0.25748065332757 0.25748065332757 15.999 4 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.136320502449534 0.000000000000000 0.000000000000000 b -4.568160251224767 7.912285652237903 0.000000000000000 c 0.000000000000000 0.000000000000000 13.875730640000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 O 0.22222222222222 0.11111111111111 0.07585268000576 15.999 > 28 29 O 0.55555555555556 0.11111111111111 0.07585268000576 15.999 > 28 30 O 0.88888888888889 0.11111111111111 0.07585268000576 15.999 > 28 31 O 0.22222222222222 0.44444444444444 0.07585268000576 15.999 > 28 32 O 0.55555555555556 0.44444444444444 0.07585268000576 15.999 > 28 33 O 0.88888888888889 0.44444444444444 0.07585268000576 15.999 > 28 34 O 0.22222222222222 0.77777777777778 0.07585268000576 15.999 > 28 35 O 0.55555555555556 0.77777777777778 0.07585268000576 15.999 > 28 36 O 0.88888888888889 0.77777777777778 0.07585268000576 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.25748065332757 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.25748065332757 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.25748065332757 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.25748065332757 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.25748065332757 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.25748065332757 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.25748065332757 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.25748065332757 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.25748065332757 15.999 > 37 46 O 0.11111111111111 0.22222222222222 0.40918601333910 15.999 > 28 47 O 0.44444444444444 0.22222222222222 0.40918601333910 15.999 > 28 48 O 0.77777777777778 0.22222222222222 0.40918601333910 15.999 > 28 49 O 0.11111111111111 0.55555555555556 0.40918601333910 15.999 > 28 50 O 0.44444444444444 0.55555555555556 0.40918601333910 15.999 > 28 51 O 0.77777777777778 0.55555555555556 0.40918601333910 15.999 > 28 52 O 0.11111111111111 0.88888888888889 0.40918601333910 15.999 > 28 53 O 0.44444444444444 0.88888888888889 0.40918601333910 15.999 > 28 54 O 0.77777777777778 0.88888888888889 0.40918601333910 15.999 > 28 55 O 0.22222222222222 0.11111111111111 0.59081398666090 15.999 > 37 56 O 0.55555555555556 0.11111111111111 0.59081398666090 15.999 > 37 57 O 0.88888888888889 0.11111111111111 0.59081398666090 15.999 > 37 58 O 0.22222222222222 0.44444444444444 0.59081398666090 15.999 > 37 59 O 0.55555555555556 0.44444444444444 0.59081398666090 15.999 > 37 60 O 0.88888888888889 0.44444444444444 0.59081398666090 15.999 > 37 61 O 0.22222222222222 0.77777777777778 0.59081398666090 15.999 > 37 62 O 0.55555555555556 0.77777777777778 0.59081398666090 15.999 > 37 63 O 0.88888888888889 0.77777777777778 0.59081398666090 15.999 > 37 64 O 0.00000000000000 0.00000000000000 0.74251934667243 15.999 > 28 65 O 0.33333333333333 0.00000000000000 0.74251934667243 15.999 > 28 66 O 0.66666666666667 0.00000000000000 0.74251934667243 15.999 > 28 67 O 0.00000000000000 0.33333333333333 0.74251934667243 15.999 > 28 68 O 0.33333333333333 0.33333333333333 0.74251934667243 15.999 > 28 69 O 0.66666666666667 0.33333333333333 0.74251934667243 15.999 > 28 70 O 0.00000000000000 0.66666666666667 0.74251934667243 15.999 > 28 71 O 0.33333333333333 0.66666666666667 0.74251934667243 15.999 > 28 72 O 0.66666666666667 0.66666666666667 0.74251934667243 15.999 > 28 73 O 0.11111111111111 0.22222222222222 0.92414731999424 15.999 > 37 74 O 0.44444444444444 0.22222222222222 0.92414731999424 15.999 > 37 75 O 0.77777777777778 0.22222222222222 0.92414731999424 15.999 > 37 76 O 0.11111111111111 0.55555555555556 0.92414731999424 15.999 > 37 77 O 0.44444444444444 0.55555555555556 0.92414731999424 15.999 > 37 78 O 0.77777777777778 0.55555555555556 0.92414731999424 15.999 > 37 79 O 0.11111111111111 0.88888888888889 0.92414731999424 15.999 > 37 80 O 0.44444444444444 0.88888888888889 0.92414731999424 15.999 > 37 81 O 0.77777777777778 0.88888888888889 0.92414731999424 15.999 > 37 82 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 82 83 Rh 0.33333333333333 0.00000000000000 0.00000000000000 102.906 > 82 84 Rh 0.66666666666667 0.00000000000000 0.00000000000000 102.906 > 82 85 Rh 0.00000000000000 0.33333333333333 0.00000000000000 102.906 > 82 86 Rh 0.33333333333333 0.33333333333333 0.00000000000000 102.906 > 82 87 Rh 0.66666666666667 0.33333333333333 0.00000000000000 102.906 > 82 88 Rh 0.00000000000000 0.66666666666667 0.00000000000000 102.906 > 82 89 Rh 0.33333333333333 0.66666666666667 0.00000000000000 102.906 > 82 90 Rh 0.66666666666667 0.66666666666667 0.00000000000000 102.906 > 82 91 Rh 0.22222222222222 0.11111111111111 0.33333333333333 102.906 > 82 92 Rh 0.55555555555556 0.11111111111111 0.33333333333333 102.906 > 82 93 Rh 0.88888888888889 0.11111111111111 0.33333333333333 102.906 > 82 94 Rh 0.22222222222222 0.44444444444444 0.33333333333333 102.906 > 82 95 Rh 0.55555555555556 0.44444444444444 0.33333333333333 102.906 > 82 96 Rh 0.88888888888889 0.44444444444444 0.33333333333333 102.906 > 82 97 Rh 0.22222222222222 0.77777777777778 0.33333333333333 102.906 > 82 98 Rh 0.55555555555556 0.77777777777778 0.33333333333333 102.906 > 82 99 Rh 0.88888888888889 0.77777777777778 0.33333333333333 102.906 > 82 100 Rh 0.11111111111111 0.22222222222222 0.66666666666667 102.906 > 82 101 Rh 0.44444444444444 0.22222222222222 0.66666666666667 102.906 > 82 102 Rh 0.77777777777778 0.22222222222222 0.66666666666667 102.906 > 82 103 Rh 0.11111111111111 0.55555555555556 0.66666666666667 102.906 > 82 104 Rh 0.44444444444444 0.55555555555556 0.66666666666667 102.906 > 82 105 Rh 0.77777777777778 0.55555555555556 0.66666666666667 102.906 > 82 106 Rh 0.11111111111111 0.88888888888889 0.66666666666667 102.906 > 82 107 Rh 0.44444444444444 0.88888888888889 0.66666666666667 102.906 > 82 108 Rh 0.77777777777778 0.88888888888889 0.66666666666667 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9376180 0.0000000 0.0000000 0.0000000 8.9376180 0.0000000 0.0000000 0.0000000 4.5587407 -------------------------- Born effective charges -------------------------- 1 Li 1.2587815 -0.0000000 0.0000000 0.0000000 1.2587815 0.0000000 0.0000000 0.0000000 1.7529549 2 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 3 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 4 Rh 3.3108353 0.0000000 0.0000000 0.0000000 3.3108353 0.0000000 0.0000000 0.0000000 0.9435300 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 00:24:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:13]------------------------- 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 1.522720083741590 0.879142850248655 4.625243546666662 b -1.522720083741587 0.879142850248655 4.625243546666662 c 0.000000000000002 -1.758285700497313 4.625243546666662 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 O 0.74251934667243 0.74251934667243 0.74251934667243 15.999 3 O 0.25748065332757 0.25748065332757 0.25748065332757 15.999 4 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.136320502449534 0.000000000000000 0.000000000000000 b -4.568160251224767 7.912285652237903 0.000000000000000 c 0.000000000000000 0.000000000000000 13.875730640000000 Atomic positions (fractional): 1 Li 0.11111111111111 0.22222222222222 0.16666666666667 6.941 > 1 2 Li 0.44444444444444 0.22222222222222 0.16666666666667 6.941 > 1 3 Li 0.77777777777778 0.22222222222222 0.16666666666667 6.941 > 1 4 Li 0.11111111111111 0.55555555555556 0.16666666666667 6.941 > 1 5 Li 0.44444444444444 0.55555555555556 0.16666666666667 6.941 > 1 6 Li 0.77777777777778 0.55555555555556 0.16666666666667 6.941 > 1 7 Li 0.11111111111111 0.88888888888889 0.16666666666667 6.941 > 1 8 Li 0.44444444444444 0.88888888888889 0.16666666666667 6.941 > 1 9 Li 0.77777777777778 0.88888888888889 0.16666666666667 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.22222222222222 0.11111111111111 0.83333333333333 6.941 > 1 20 Li 0.55555555555556 0.11111111111111 0.83333333333333 6.941 > 1 21 Li 0.88888888888889 0.11111111111111 0.83333333333333 6.941 > 1 22 Li 0.22222222222222 0.44444444444444 0.83333333333333 6.941 > 1 23 Li 0.55555555555556 0.44444444444444 0.83333333333333 6.941 > 1 24 Li 0.88888888888889 0.44444444444444 0.83333333333333 6.941 > 1 25 Li 0.22222222222222 0.77777777777778 0.83333333333333 6.941 > 1 26 Li 0.55555555555556 0.77777777777778 0.83333333333333 6.941 > 1 27 Li 0.88888888888889 0.77777777777778 0.83333333333333 6.941 > 1 28 O 0.22222222222222 0.11111111111111 0.07585268000576 15.999 > 28 29 O 0.55555555555556 0.11111111111111 0.07585268000576 15.999 > 28 30 O 0.88888888888889 0.11111111111111 0.07585268000576 15.999 > 28 31 O 0.22222222222222 0.44444444444444 0.07585268000576 15.999 > 28 32 O 0.55555555555556 0.44444444444444 0.07585268000576 15.999 > 28 33 O 0.88888888888889 0.44444444444444 0.07585268000576 15.999 > 28 34 O 0.22222222222222 0.77777777777778 0.07585268000576 15.999 > 28 35 O 0.55555555555556 0.77777777777778 0.07585268000576 15.999 > 28 36 O 0.88888888888889 0.77777777777778 0.07585268000576 15.999 > 28 37 O 0.00000000000000 0.00000000000000 0.25748065332757 15.999 > 37 38 O 0.33333333333333 0.00000000000000 0.25748065332757 15.999 > 37 39 O 0.66666666666667 0.00000000000000 0.25748065332757 15.999 > 37 40 O 0.00000000000000 0.33333333333333 0.25748065332757 15.999 > 37 41 O 0.33333333333333 0.33333333333333 0.25748065332757 15.999 > 37 42 O 0.66666666666667 0.33333333333333 0.25748065332757 15.999 > 37 43 O 0.00000000000000 0.66666666666667 0.25748065332757 15.999 > 37 44 O 0.33333333333333 0.66666666666667 0.25748065332757 15.999 > 37 45 O 0.66666666666667 0.66666666666667 0.25748065332757 15.999 > 37 46 O 0.11111111111111 0.22222222222222 0.40918601333910 15.999 > 28 47 O 0.44444444444444 0.22222222222222 0.40918601333910 15.999 > 28 48 O 0.77777777777778 0.22222222222222 0.40918601333910 15.999 > 28 49 O 0.11111111111111 0.55555555555556 0.40918601333910 15.999 > 28 50 O 0.44444444444444 0.55555555555556 0.40918601333910 15.999 > 28 51 O 0.77777777777778 0.55555555555556 0.40918601333910 15.999 > 28 52 O 0.11111111111111 0.88888888888889 0.40918601333910 15.999 > 28 53 O 0.44444444444444 0.88888888888889 0.40918601333910 15.999 > 28 54 O 0.77777777777778 0.88888888888889 0.40918601333910 15.999 > 28 55 O 0.22222222222222 0.11111111111111 0.59081398666090 15.999 > 37 56 O 0.55555555555556 0.11111111111111 0.59081398666090 15.999 > 37 57 O 0.88888888888889 0.11111111111111 0.59081398666090 15.999 > 37 58 O 0.22222222222222 0.44444444444444 0.59081398666090 15.999 > 37 59 O 0.55555555555556 0.44444444444444 0.59081398666090 15.999 > 37 60 O 0.88888888888889 0.44444444444444 0.59081398666090 15.999 > 37 61 O 0.22222222222222 0.77777777777778 0.59081398666090 15.999 > 37 62 O 0.55555555555556 0.77777777777778 0.59081398666090 15.999 > 37 63 O 0.88888888888889 0.77777777777778 0.59081398666090 15.999 > 37 64 O 0.00000000000000 0.00000000000000 0.74251934667243 15.999 > 28 65 O 0.33333333333333 0.00000000000000 0.74251934667243 15.999 > 28 66 O 0.66666666666667 0.00000000000000 0.74251934667243 15.999 > 28 67 O 0.00000000000000 0.33333333333333 0.74251934667243 15.999 > 28 68 O 0.33333333333333 0.33333333333333 0.74251934667243 15.999 > 28 69 O 0.66666666666667 0.33333333333333 0.74251934667243 15.999 > 28 70 O 0.00000000000000 0.66666666666667 0.74251934667243 15.999 > 28 71 O 0.33333333333333 0.66666666666667 0.74251934667243 15.999 > 28 72 O 0.66666666666667 0.66666666666667 0.74251934667243 15.999 > 28 73 O 0.11111111111111 0.22222222222222 0.92414731999424 15.999 > 37 74 O 0.44444444444444 0.22222222222222 0.92414731999424 15.999 > 37 75 O 0.77777777777778 0.22222222222222 0.92414731999424 15.999 > 37 76 O 0.11111111111111 0.55555555555556 0.92414731999424 15.999 > 37 77 O 0.44444444444444 0.55555555555556 0.92414731999424 15.999 > 37 78 O 0.77777777777778 0.55555555555556 0.92414731999424 15.999 > 37 79 O 0.11111111111111 0.88888888888889 0.92414731999424 15.999 > 37 80 O 0.44444444444444 0.88888888888889 0.92414731999424 15.999 > 37 81 O 0.77777777777778 0.88888888888889 0.92414731999424 15.999 > 37 82 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 82 83 Rh 0.33333333333333 0.00000000000000 0.00000000000000 102.906 > 82 84 Rh 0.66666666666667 0.00000000000000 0.00000000000000 102.906 > 82 85 Rh 0.00000000000000 0.33333333333333 0.00000000000000 102.906 > 82 86 Rh 0.33333333333333 0.33333333333333 0.00000000000000 102.906 > 82 87 Rh 0.66666666666667 0.33333333333333 0.00000000000000 102.906 > 82 88 Rh 0.00000000000000 0.66666666666667 0.00000000000000 102.906 > 82 89 Rh 0.33333333333333 0.66666666666667 0.00000000000000 102.906 > 82 90 Rh 0.66666666666667 0.66666666666667 0.00000000000000 102.906 > 82 91 Rh 0.22222222222222 0.11111111111111 0.33333333333333 102.906 > 82 92 Rh 0.55555555555556 0.11111111111111 0.33333333333333 102.906 > 82 93 Rh 0.88888888888889 0.11111111111111 0.33333333333333 102.906 > 82 94 Rh 0.22222222222222 0.44444444444444 0.33333333333333 102.906 > 82 95 Rh 0.55555555555556 0.44444444444444 0.33333333333333 102.906 > 82 96 Rh 0.88888888888889 0.44444444444444 0.33333333333333 102.906 > 82 97 Rh 0.22222222222222 0.77777777777778 0.33333333333333 102.906 > 82 98 Rh 0.55555555555556 0.77777777777778 0.33333333333333 102.906 > 82 99 Rh 0.88888888888889 0.77777777777778 0.33333333333333 102.906 > 82 100 Rh 0.11111111111111 0.22222222222222 0.66666666666667 102.906 > 82 101 Rh 0.44444444444444 0.22222222222222 0.66666666666667 102.906 > 82 102 Rh 0.77777777777778 0.22222222222222 0.66666666666667 102.906 > 82 103 Rh 0.11111111111111 0.55555555555556 0.66666666666667 102.906 > 82 104 Rh 0.44444444444444 0.55555555555556 0.66666666666667 102.906 > 82 105 Rh 0.77777777777778 0.55555555555556 0.66666666666667 102.906 > 82 106 Rh 0.11111111111111 0.88888888888889 0.66666666666667 102.906 > 82 107 Rh 0.44444444444444 0.88888888888889 0.66666666666667 102.906 > 82 108 Rh 0.77777777777778 0.88888888888889 0.66666666666667 102.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9376180 0.0000000 0.0000000 0.0000000 8.9376180 0.0000000 0.0000000 0.0000000 4.5587407 -------------------------- Born effective charges -------------------------- 1 Li 1.2587815 -0.0000000 0.0000000 0.0000000 1.2587815 0.0000000 0.0000000 0.0000000 1.7529549 2 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 3 O -2.2848084 -0.0000000 0.0000000 0.0000000 -2.2848084 0.0000000 0.0000000 0.0000000 -1.3482424 4 Rh 3.3108353 0.0000000 0.0000000 0.0000000 3.3108353 0.0000000 0.0000000 0.0000000 0.9435300 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 19 19 19 ] 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: 1.24, Number of G-points: 299, Lambda: 0.35 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/670) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 9.694 ( 0.000 0.000 0.000) 0.000 13.658 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 13.897 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 14.875 ( 0.000 0.000 0.000) 0.000 15.199 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/670) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 15.140 8.741 24.320) 29.952 0.523 ( 23.336 13.473 5.052) 27.416 1.338 ( 57.724 33.327 1.644) 66.674 4.564 ( 3.588 2.072 -0.532) 4.177 6.520 ( 14.065 8.120 -34.313) 37.962 9.797 ( -9.829 -5.675 54.431) 55.602 13.444 ( -12.741 -7.356 1.561) 14.795 13.906 ( 1.019 0.588 -1.562) 1.955 14.079 ( 9.956 5.748 -2.676) 11.803 14.873 ( -0.415 -0.240 1.457) 1.534 15.206 ( 0.472 0.273 1.288) 1.399 18.152 ( -1.705 -0.984 -5.893) 6.213 ======================= Grid point 2 (3/670) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 23.904 13.801 19.543) 33.820 1.145 ( 29.262 16.894 6.596) 34.426 2.671 ( 57.560 33.232 0.900) 66.471 4.684 ( 6.952 4.014 -1.105) 8.103 6.793 ( 16.856 9.732 -11.891) 22.809 9.768 ( -5.488 -3.168 23.566) 24.403 13.168 ( -11.419 -6.593 2.164) 13.362 13.931 ( 1.908 1.101 -2.681) 3.470 14.255 ( 6.594 3.807 -7.293) 10.543 14.866 ( -0.840 -0.485 2.469) 2.653 15.230 ( 0.747 0.431 3.481) 3.586 18.050 ( -5.843 -3.373 -2.937) 7.358 ======================= Grid point 3 (4/670) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 31.259 18.047 14.981) 39.080 1.934 ( 36.617 21.141 8.367) 43.101 3.995 ( 57.065 32.946 -0.083) 65.893 4.864 ( 8.863 5.117 -2.064) 10.441 7.184 ( 19.200 11.085 -3.827) 22.498 9.723 ( -4.234 -2.444 12.235) 13.176 12.944 ( -8.970 -5.179 3.871) 11.057 13.973 ( 2.696 1.557 -3.015) 4.334 14.328 ( 3.115 1.799 -11.615) 12.159 14.852 ( -1.296 -0.748 2.782) 3.159 15.256 ( -0.266 -0.153 5.061) 5.070 17.852 ( -10.468 -6.044 -3.390) 12.554 ======================= Grid point 4 (5/670) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 35.185 20.314 10.813) 42.043 2.878 ( 41.833 24.152 9.238) 49.180 5.061 ( 8.944 5.164 -3.353) 10.858 5.294 ( 55.679 32.146 -1.212) 64.304 7.630 ( 19.876 11.475 -0.360) 22.953 9.666 ( -3.714 -2.144 6.194) 7.533 12.782 ( -6.792 -3.921 6.140) 9.960 14.033 ( 3.405 1.966 -2.440) 4.627 14.319 ( 0.439 0.254 -14.116) 14.126 14.826 ( -1.817 -1.049 2.365) 3.161 15.241 ( -2.860 -1.651 4.667) 5.717 17.541 ( -14.946 -8.629 -5.103) 17.997 ======================= Grid point 5 (6/670) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 35.718 20.622 6.955) 41.826 3.897 ( 42.800 24.711 8.779) 50.195 5.245 ( 8.314 4.800 -4.312) 10.524 6.538 ( 52.545 30.337 -2.677) 60.733 8.086 ( 19.381 11.190 1.019) 22.402 9.602 ( -3.279 -1.893 2.826) 4.725 12.674 ( -5.100 -2.944 8.812) 10.599 14.111 ( 3.840 2.217 -1.077) 4.563 14.242 ( -2.377 -1.373 -15.000) 15.249 14.784 ( -2.409 -1.391 1.293) 3.067 15.151 ( -6.338 -3.659 2.527) 7.742 17.136 ( -17.925 -10.349 -6.787) 21.783 ======================= Grid point 6 (7/670) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( 33.399 19.283 3.650) 38.738 4.878 ( 38.673 22.328 7.544) 45.288 5.418 ( 8.419 4.861 -4.577) 10.745 7.672 ( 46.605 26.907 -5.022) 54.049 8.524 ( 17.971 10.376 1.723) 20.823 9.543 ( -2.367 -1.367 1.727) 3.233 12.615 ( -3.361 -1.940 11.700) 12.327 14.093 ( -5.738 -3.313 -14.507) 15.948 14.198 ( 3.704 2.138 0.797) 4.350 14.724 ( -2.930 -1.692 -0.325) 3.399 14.966 ( -9.922 -5.728 -1.002) 11.500 16.686 ( -18.207 -10.512 -7.302) 22.256 ======================= Grid point 7 (8/670) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.844 ( 28.311 16.346 1.300) 32.717 5.546 ( 9.764 5.637 1.210) 11.339 5.757 ( 29.099 16.800 0.700) 33.607 8.605 ( 35.015 20.216 -8.910) 41.402 8.918 ( 15.657 9.040 1.968) 18.186 9.526 ( 0.757 0.437 3.849) 3.947 12.611 ( -1.136 -0.656 14.153) 14.213 13.875 ( -8.408 -4.854 -12.420) 15.765 14.282 ( 2.881 1.663 2.857) 4.385 14.650 ( -3.001 -1.733 -2.300) 4.160 14.693 ( -12.373 -7.144 -5.388) 15.269 16.267 ( -15.530 -8.966 -6.062) 18.930 ======================= Grid point 8 (9/670) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.408 ( 19.753 11.404 0.123) 22.809 5.711 ( 5.729 3.308 -0.255) 6.621 6.355 ( 20.336 11.741 1.415) 23.525 9.061 ( 7.196 4.154 -2.132) 8.578 9.316 ( 18.039 10.415 -10.428) 23.294 9.666 ( 9.618 5.553 9.502) 14.616 12.667 ( 1.022 0.590 14.115) 14.164 13.637 ( -8.006 -4.623 -8.757) 12.734 14.349 ( 1.591 0.918 4.411) 4.778 14.382 ( -11.510 -6.645 -8.092) 15.560 14.576 ( -2.212 -1.277 -3.970) 4.721 15.944 ( -10.563 -6.099 -3.654) 12.732 ======================= Grid point 9 (10/670) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.725 ( 7.244 4.182 -0.084) 8.365 5.805 ( 2.192 1.266 -0.002) 2.531 6.677 ( 7.049 4.070 0.407) 8.150 9.121 ( 0.513 0.296 -0.377) 0.702 9.557 ( 5.888 3.399 -4.594) 8.206 9.910 ( 6.059 3.498 3.653) 7.893 12.740 ( 1.107 0.639 6.915) 7.032 13.475 ( -3.356 -1.938 -3.444) 5.184 14.153 ( -5.096 -2.942 -4.458) 7.382 14.386 ( 0.406 0.234 2.873) 2.911 14.527 ( -0.748 -0.432 -2.705) 2.840 15.766 ( -3.813 -2.202 -1.162) 4.554 ======================= Grid point 20 (11/670) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 11.801 26.480) 28.991 0.541 ( 0.000 25.376 7.891) 26.575 1.377 ( 0.000 65.546 8.442) 66.087 4.568 ( 0.000 4.363 0.255) 4.370 6.321 ( -0.000 30.435 -56.328) 64.025 10.080 ( 0.000 -35.448 88.388) 95.231 13.429 ( -0.000 -15.345 -1.235) 15.394 13.919 ( 0.000 1.892 0.766) 2.041 14.115 ( 0.000 11.904 3.668) 12.456 14.859 ( -0.000 -1.178 -1.000) 1.545 15.212 ( 0.000 0.565 2.371) 2.438 18.107 ( -0.000 1.150 -13.020) 13.071 ======================= Grid point 21 (12/670) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 15.931 15.207 22.866) 31.748 1.034 ( 16.094 23.837 9.073) 30.159 2.347 ( 31.564 58.081 4.904) 66.285 4.652 ( 3.270 7.095 -0.369) 7.821 6.575 ( 14.413 19.614 -26.390) 35.901 9.959 ( -8.924 -14.509 43.566) 46.778 13.217 ( -5.526 -13.404 -0.438) 14.505 13.991 ( 1.664 5.538 -0.948) 5.859 14.177 ( -1.770 6.669 -1.930) 7.164 14.860 ( 1.262 -1.767 -0.215) 2.182 15.241 ( 0.767 1.011 4.820) 4.984 18.056 ( -1.272 -3.746 -6.703) 7.784 ======================= Grid point 22 (13/670) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 27.411 19.569 18.129) 38.248 1.655 ( 24.990 25.207 8.563) 36.513 3.552 ( 41.842 51.124 1.935) 66.092 4.815 ( 5.662 10.106 -1.351) 11.663 6.963 ( 17.812 15.767 -11.349) 26.357 9.843 ( -6.781 -7.010 22.121) 24.176 13.001 ( -5.391 -10.609 1.422) 11.985 14.045 ( -4.014 10.567 -1.606) 11.417 14.208 ( 4.458 -1.138 -8.502) 9.667 14.852 ( 0.381 -2.840 0.302) 2.881 15.283 ( 0.034 0.753 6.942) 6.982 17.920 ( -6.232 -6.698 -4.624) 10.251 ======================= Grid point 23 (14/670) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 30.188 22.197 12.479) 39.494 2.488 ( 36.330 27.354 9.784) 46.517 4.788 ( 43.021 43.249 -0.946) 61.010 5.035 ( 8.114 15.665 -1.932) 17.747 7.403 ( 19.300 13.613 -4.568) 24.056 9.746 ( -5.293 -4.533 11.494) 13.442 12.836 ( -3.964 -8.240 3.790) 9.898 14.066 ( -3.002 7.703 -1.577) 8.416 14.231 ( 3.218 -0.069 -13.427) 13.808 14.824 ( 0.084 -4.106 1.643) 4.423 15.294 ( -2.085 -0.776 6.610) 6.974 17.668 ( -11.705 -8.894 -5.099) 15.560 ======================= Grid point 24 (15/670) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 32.947 21.036 7.519) 39.806 3.483 ( 40.267 29.400 9.990) 50.849 5.217 ( 4.858 13.857 -4.470) 15.349 6.043 ( 45.143 42.336 -1.583) 61.909 7.856 ( 19.726 11.449 -1.657) 22.868 9.655 ( -4.239 -3.508 5.567) 7.827 12.727 ( -2.592 -6.395 6.649) 9.582 14.088 ( 0.510 2.138 -3.154) 3.845 14.207 ( -0.917 2.110 -13.819) 14.009 14.784 ( -0.712 -4.624 2.357) 5.238 15.242 ( -4.866 -1.610 4.384) 6.745 17.306 ( -16.226 -10.283 -6.306) 20.218 ======================= Grid point 25 (16/670) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 33.749 18.050 3.642) 38.445 4.497 ( 38.256 28.672 8.733) 48.599 5.413 ( 3.145 15.744 -4.927) 16.794 7.194 ( 42.855 36.605 -3.907) 56.496 8.295 ( 19.530 9.141 -0.476) 21.568 9.575 ( -2.989 -2.799 2.621) 4.861 12.668 ( -1.393 -4.702 9.837) 10.992 14.039 ( -1.512 -6.191 -13.931) 15.320 14.197 ( 0.430 4.803 -1.439) 5.032 14.709 ( -2.660 -6.805 0.495) 7.323 15.135 ( -8.339 1.492 1.366) 8.580 16.874 ( -18.346 -10.374 -6.851) 22.162 ======================= Grid point 26 (17/670) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 31.815 13.734 0.762) 34.661 5.391 ( 28.576 22.071 7.180) 36.814 5.625 ( 5.491 20.400 -4.776) 21.660 8.193 ( 36.339 28.774 -7.447) 46.946 8.703 ( 18.488 6.452 0.468) 19.587 9.527 ( -0.540 -1.675 2.504) 3.061 12.661 ( -0.030 -2.738 12.808) 13.098 13.843 ( -4.383 -10.914 -12.973) 17.510 14.275 ( 2.629 4.345 1.926) 5.431 14.542 ( -4.828 -12.490 -3.996) 13.975 15.006 ( -12.289 8.674 -1.311) 15.099 16.440 ( -17.219 -8.890 -5.796) 20.227 ======================= Grid point 27 (18/670) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( 26.568 7.939 -0.818) 27.740 5.752 ( 2.193 15.324 -0.548) 15.490 6.169 ( 20.827 21.900 1.980) 30.287 8.890 ( 19.385 13.175 -8.709) 25.004 9.068 ( 17.840 7.176 -3.135) 19.483 9.583 ( 6.892 1.308 6.403) 9.498 12.707 ( 1.146 -0.545 13.790) 13.848 13.599 ( -4.012 -14.023 -8.182) 16.724 14.279 ( -5.769 -15.154 -8.131) 18.140 14.380 ( 2.924 4.687 2.563) 6.090 14.872 ( -14.990 13.341 -3.129) 20.310 16.080 ( -13.372 -5.779 -3.295) 14.936 ======================= Grid point 28 (19/670) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.507 ( 16.803 0.650 -1.068) 16.849 5.909 ( -1.364 14.872 -0.690) 14.950 6.624 ( 9.667 13.865 1.191) 16.944 9.085 ( 3.711 -0.065 -1.793) 4.122 9.398 ( 13.144 5.680 -10.154) 17.553 9.814 ( 10.729 1.899 7.512) 13.235 12.771 ( 0.155 0.757 8.176) 8.213 13.397 ( 0.088 -14.101 -1.608) 14.193 14.025 ( -1.439 -13.578 -8.146) 15.899 14.490 ( 1.843 6.180 3.405) 7.292 14.736 ( -15.074 14.633 -3.715) 21.334 15.850 ( -8.042 -1.375 -0.635) 8.183 ======================= Grid point 29 (20/670) ======================= q-point: (-0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.655 ( 4.087 -6.620 -0.706) 7.812 5.977 ( -6.589 11.783 -0.582) 13.512 6.777 ( -3.602 5.645 0.303) 6.703 9.106 ( 1.186 -1.389 -0.793) 1.991 9.544 ( 4.320 -1.296 -4.712) 6.523 9.928 ( -0.105 -4.392 3.536) 5.640 12.754 ( -3.387 -0.063 -5.152) 6.166 13.332 ( 7.331 -11.910 3.229) 14.353 13.956 ( 7.764 -7.490 1.584) 10.904 14.546 ( -3.946 2.571 -1.148) 4.847 14.668 ( -8.571 19.346 1.241) 21.196 15.777 ( -1.436 3.067 1.501) 3.704 ======================= Grid point 30 (21/670) ======================= q-point: (-0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.511 ( -8.755 -13.811 -0.466) 16.359 5.912 ( -12.062 8.938 -0.248) 15.014 6.614 ( -17.401 -1.768 -0.553) 17.499 9.093 ( -0.875 -2.948 -0.333) 3.094 9.491 ( -6.090 -6.208 4.552) 9.816 9.740 ( -11.762 -10.123 -3.995) 16.024 12.644 ( -3.536 -0.804 -13.056) 13.551 13.439 ( 14.738 -8.339 4.684) 17.570 14.123 ( 13.216 -2.615 9.035) 16.222 14.455 ( -6.580 2.199 -2.636) 7.421 14.775 ( -4.532 19.478 3.253) 20.262 15.874 ( 6.026 6.412 3.616) 9.513 ======================= Grid point 31 (22/670) ======================= q-point: (-0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( -20.624 -18.589 -0.764) 27.775 5.752 ( -14.834 5.145 -0.613) 15.713 6.154 ( -29.425 -6.466 -0.749) 30.136 8.954 ( -12.303 -7.828 2.066) 14.728 9.119 ( -26.605 -16.007 5.756) 31.578 9.505 ( -1.121 -3.174 -6.837) 7.621 12.549 ( -0.428 -0.411 -13.599) 13.612 13.684 ( 17.830 -5.013 6.342) 19.577 14.329 ( -1.239 2.237 -0.832) 2.689 14.403 ( 9.057 -3.215 8.108) 12.574 14.902 ( -4.201 18.651 2.225) 19.247 16.133 ( 12.656 8.822 5.819) 16.489 ======================= Grid point 32 (23/670) ======================= q-point: (-0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.450 ( -29.104 -20.301 -2.127) 35.549 5.312 ( -35.045 -14.050 -6.631) 38.335 5.678 ( -19.456 5.699 4.569) 20.782 8.269 ( -44.798 -18.383 5.658) 48.752 8.683 ( -14.128 -11.847 -3.016) 18.683 9.500 ( 2.673 -0.061 -2.119) 3.412 12.523 ( 2.895 0.233 -11.392) 11.757 13.967 ( 15.229 -2.984 8.383) 17.638 14.256 ( -4.346 0.570 -1.353) 4.587 14.599 ( 9.112 -1.780 6.041) 11.076 15.018 ( -1.720 13.746 0.915) 13.883 16.514 ( 16.903 10.310 7.076) 21.025 ======================= Grid point 33 (24/670) ======================= q-point: (-0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( -34.535 -19.820 -4.398) 40.060 4.403 ( -44.735 -19.207 -7.716) 49.291 5.468 ( -15.413 5.370 4.618) 16.962 7.233 ( -53.977 -19.625 2.958) 57.510 8.284 ( -17.155 -11.391 -2.293) 20.720 9.552 ( 3.305 0.702 -1.468) 3.684 12.563 ( 5.446 0.653 -8.650) 10.242 14.139 ( 1.463 -2.817 3.723) 4.893 14.248 ( 3.768 2.697 7.093) 8.473 14.709 ( 4.605 -1.867 0.696) 5.018 15.125 ( 1.629 7.211 -0.191) 7.395 16.951 ( 18.172 10.132 6.666) 21.848 ======================= Grid point 34 (25/670) ======================= q-point: (-0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -37.409 -17.478 -6.982) 41.876 3.380 ( -46.123 -20.138 -7.913) 50.946 5.265 ( -14.889 2.720 3.885) 15.626 6.060 ( -59.892 -18.748 1.452) 62.775 7.856 ( -18.872 -10.107 -1.599) 21.468 9.609 ( 3.078 0.912 -2.503) 4.070 12.654 ( 7.454 0.927 -6.021) 9.627 14.110 ( -2.979 1.269 1.500) 3.569 14.360 ( 0.816 0.357 11.742) 11.775 14.754 ( 4.466 -2.580 -2.893) 5.914 15.206 ( 2.020 2.973 -1.735) 3.991 17.371 ( 16.666 8.199 4.946) 19.221 ======================= Grid point 35 (26/670) ======================= q-point: (-0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -37.903 -14.353 -9.161) 41.553 2.395 ( -42.004 -16.730 -6.352) 45.657 4.801 ( -61.836 -16.468 1.417) 64.007 5.055 ( -15.910 0.392 1.598) 15.995 7.429 ( -19.380 -7.961 -0.267) 20.953 9.653 ( 2.507 0.830 -4.419) 5.148 12.794 ( 9.579 1.230 -3.652) 10.325 14.085 ( -4.583 5.390 1.606) 7.255 14.362 ( -1.859 -5.183 9.397) 10.891 14.802 ( 3.992 -0.828 -2.253) 4.658 15.238 ( 0.553 0.896 -2.853) 3.041 17.714 ( 13.288 5.230 2.808) 14.553 ======================= Grid point 36 (27/670) ======================= q-point: (-0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -34.926 -11.741 -8.744) 37.870 1.585 ( -35.181 -7.616 -3.577) 36.174 3.542 ( -66.067 -11.729 0.250) 67.100 4.828 ( -11.774 -0.532 0.855) 11.817 7.041 ( -17.881 -4.665 1.659) 18.554 9.677 ( 1.690 0.496 -5.859) 6.118 12.984 ( 12.122 1.277 -1.628) 12.297 14.061 ( -6.544 7.377 1.129) 9.926 14.286 ( -1.777 -8.306 4.989) 9.851 14.846 ( 1.667 0.500 -0.970) 1.992 15.229 ( -0.610 0.022 -2.117) 2.203 17.953 ( 9.331 2.216 1.150) 9.659 ======================= Grid point 37 (28/670) ======================= q-point: (-0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -27.101 0.000 0.000) 27.101 0.983 ( -30.412 0.000 0.000) 30.412 2.319 ( -67.335 0.000 0.000) 67.335 4.654 ( -7.831 0.000 0.000) 7.831 6.747 ( -13.622 0.000 0.000) 13.622 9.683 ( 0.664 -0.000 -0.000) 0.664 13.220 ( 14.397 -0.000 -0.000) 14.397 13.996 ( -5.713 0.000 0.000) 5.713 14.189 ( -5.596 0.000 0.000) 5.596 14.862 ( 0.447 -0.000 -0.000) 0.447 15.212 ( -0.713 0.000 0.000) 0.713 18.096 ( 5.834 -0.000 -0.000) 5.834 ======================= Grid point 40 (29/670) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 20.527 18.850) 27.869 1.155 ( 0.000 30.787 7.411) 31.666 2.740 ( 0.000 65.292 6.609) 65.626 4.699 ( -0.000 8.483 0.206) 8.485 6.577 ( -0.000 25.582 -24.609) 35.497 10.027 ( 0.000 -18.100 38.810) 42.823 13.113 ( -0.000 -14.472 -2.595) 14.703 13.980 ( 0.000 3.313 1.449) 3.616 14.336 ( -0.000 8.213 -0.273) 8.218 14.816 ( -0.000 -1.918 -1.707) 2.568 15.262 ( 0.000 1.224 6.271) 6.389 17.995 ( -0.000 -4.588 -7.461) 8.759 ======================= Grid point 41 (30/670) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 13.215 26.540 15.801) 33.596 1.632 ( 13.262 30.833 7.455) 34.382 3.595 ( 20.509 62.271 4.111) 65.690 4.834 ( 4.277 11.107 -0.373) 11.908 6.846 ( 10.466 22.570 -15.560) 29.344 9.946 ( -4.789 -12.200 25.369) 28.555 12.943 ( -2.057 -12.858 -1.891) 13.159 14.064 ( 4.443 2.911 -1.244) 5.456 14.317 ( -8.335 8.049 -1.640) 11.703 14.794 ( 0.720 -3.686 -2.762) 4.662 15.315 ( 0.855 0.960 8.504) 8.601 17.898 ( -2.014 -7.354 -5.825) 9.595 ======================= Grid point 42 (31/670) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 23.312 26.773 11.858) 37.428 2.293 ( 24.075 33.368 8.613) 42.038 4.653 ( 30.143 56.405 0.636) 63.957 5.059 ( 7.202 15.363 -1.204) 17.010 7.230 ( 15.017 18.159 -8.812) 25.158 9.832 ( -5.440 -7.917 15.082) 17.881 12.790 ( -1.331 -10.789 0.075) 10.871 14.116 ( 1.241 -1.186 -8.020) 8.202 14.281 ( -6.321 12.605 -0.117) 14.102 14.751 ( 1.753 -6.402 -1.695) 6.851 15.347 ( -1.444 -0.647 8.286) 8.436 17.718 ( -6.845 -9.697 -5.253) 12.980 ======================= Grid point 43 (32/670) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 26.081 24.156 6.518) 36.142 3.192 ( 34.246 35.505 10.308) 50.395 5.286 ( 5.420 19.676 -4.496) 20.899 5.807 ( 35.415 49.837 -0.333) 61.140 7.644 ( 17.063 13.833 -5.031) 22.535 9.718 ( -4.982 -5.671 8.304) 11.222 12.686 ( 0.118 -8.968 2.783) 9.391 14.059 ( -0.801 -2.394 -10.201) 10.508 14.292 ( -5.646 9.509 -3.440) 11.581 14.731 ( 2.412 -5.423 2.387) 6.397 15.315 ( -3.511 -1.835 5.564) 6.830 17.427 ( -12.230 -11.000 -5.716) 17.414 ======================= Grid point 44 (33/670) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( 28.715 20.516 2.521) 35.381 4.200 ( 36.118 34.496 9.754) 50.888 5.544 ( 2.741 22.320 -5.554) 23.164 6.897 ( 36.411 43.476 -2.910) 56.783 8.050 ( 18.043 9.782 -3.265) 20.782 9.613 ( -3.942 -4.283 4.336) 7.259 12.636 ( 1.511 -7.263 5.976) 9.526 13.953 ( -2.198 -6.319 -13.042) 14.658 14.268 ( -3.306 5.301 -1.068) 6.338 14.703 ( -2.456 -4.782 2.712) 6.021 15.257 ( -3.622 1.175 1.994) 4.298 17.045 ( -16.120 -10.970 -6.093) 20.428 ======================= Grid point 45 (34/670) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( 29.430 15.450 -0.482) 33.242 5.154 ( 31.450 30.067 7.980) 44.236 5.795 ( 1.381 26.126 -5.649) 26.765 7.881 ( 33.493 34.380 -5.724) 48.338 8.433 ( 18.403 5.676 -2.383) 19.405 9.536 ( -2.080 -2.929 2.920) 4.630 12.640 ( 2.839 -5.251 9.143) 10.920 13.750 ( -4.462 -12.594 -11.740) 17.787 14.300 ( 0.571 5.279 1.231) 5.451 14.544 ( -8.201 -8.507 -1.594) 11.923 15.235 ( -4.952 7.696 -0.470) 9.164 16.628 ( -17.094 -9.347 -5.325) 20.197 ======================= Grid point 46 (35/670) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.688 ( 27.586 9.351 -2.168) 29.209 5.844 ( 12.057 21.406 2.299) 24.676 6.140 ( 10.800 30.641 -1.278) 32.514 8.651 ( 23.411 22.124 -10.709) 33.944 8.783 ( 19.678 1.928 -0.439) 19.777 9.523 ( 2.198 -0.992 4.187) 4.832 12.697 ( 3.890 -2.823 10.719) 11.747 13.484 ( -4.451 -16.815 -6.005) 18.402 14.242 ( -9.500 -10.866 -8.511) 16.756 14.414 ( 1.609 6.504 3.019) 7.349 15.208 ( -9.479 11.895 -2.461) 15.408 16.255 ( -14.674 -5.953 -2.997) 16.116 ======================= Grid point 47 (36/670) ======================= q-point: ( 0.47 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.174 ( 22.047 2.546 -2.379) 22.321 6.115 ( -1.218 21.058 -1.640) 21.157 6.637 ( 10.476 23.186 1.737) 25.502 8.962 ( 9.441 0.018 -3.961) 10.238 9.173 ( 15.831 7.069 -9.610) 19.823 9.656 ( 10.520 0.280 6.728) 12.490 12.777 ( 2.945 -1.304 5.759) 6.598 13.250 ( -1.779 -16.931 3.805) 17.444 13.932 ( -6.874 -11.115 -11.600) 17.474 14.538 ( 1.984 7.999 3.175) 8.832 15.124 ( -13.277 13.946 -3.689) 19.606 15.998 ( -10.208 -1.017 -0.147) 10.260 ======================= Grid point 48 (37/670) ======================= q-point: ( 0.53 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.455 ( 11.896 -4.741 -1.690) 12.917 6.243 ( -6.549 19.191 -1.578) 20.339 6.919 ( -0.805 14.817 1.097) 14.880 9.038 ( 3.884 -3.198 -2.133) 5.465 9.384 ( 9.367 0.100 -8.589) 12.709 9.837 ( 7.242 -4.776 5.792) 10.431 12.781 ( -0.696 -1.572 -6.489) 6.713 13.114 ( 1.001 -15.106 8.405) 17.316 13.782 ( 4.661 -6.324 -2.499) 8.244 14.634 ( -1.489 6.268 1.741) 6.674 15.039 ( -11.568 17.110 -2.153) 20.766 15.880 ( -5.450 3.631 1.708) 6.768 ======================= Grid point 49 (38/670) ======================= q-point: (-0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.464 ( -0.815 -11.684 -0.894) 11.747 6.253 ( -12.465 16.330 -0.798) 20.560 6.909 ( -13.495 7.420 0.205) 15.401 9.042 ( 1.919 -4.660 -1.724) 5.326 9.443 ( 3.452 -4.439 -5.240) 7.687 9.802 ( -5.265 -10.673 4.409) 12.691 12.676 ( -5.733 -0.329 -12.442) 13.703 13.087 ( 11.951 -13.908 3.662) 18.699 13.927 ( 12.515 -0.918 9.289) 15.613 14.601 ( -7.402 3.724 -1.058) 8.354 15.077 ( -5.962 19.632 1.169) 20.550 15.895 ( 0.520 6.465 3.027) 7.157 ======================= Grid point 50 (39/670) ======================= q-point: (-0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.197 ( -12.964 -16.529 -0.396) 21.010 6.130 ( -18.341 11.969 -0.393) 21.905 6.614 ( -25.567 3.002 -0.175) 25.744 8.972 ( -2.384 -8.890 -2.419) 9.517 9.400 ( -5.365 -6.558 5.822) 10.280 9.483 ( -14.232 -10.828 -4.713) 18.494 12.530 ( -3.993 -0.582 -12.325) 12.969 13.274 ( 20.761 -9.377 2.317) 22.898 14.201 ( 13.217 0.998 11.712) 17.688 14.483 ( -8.551 2.565 -1.587) 9.068 15.181 ( -5.480 17.832 1.418) 18.709 16.056 ( 8.090 8.131 4.715) 12.401 ======================= Grid point 51 (40/670) ======================= q-point: (-0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.706 ( -23.132 -17.911 -0.650) 29.263 5.773 ( -31.159 -3.001 -3.419) 31.489 6.191 ( -26.957 10.274 2.693) 28.974 8.737 ( -11.788 -15.956 -4.679) 20.382 8.855 ( -33.409 -10.231 6.535) 35.546 9.431 ( 3.428 -1.156 -3.004) 4.702 12.450 ( 0.249 -0.440 -9.908) 9.921 13.594 ( 23.003 -6.046 2.605) 23.927 14.362 ( -7.089 1.923 -1.228) 7.447 14.463 ( 10.563 0.782 10.126) 14.654 15.234 ( -6.533 13.026 0.222) 14.574 16.363 ( 14.499 9.173 5.909) 18.146 ======================= Grid point 52 (41/670) ======================= q-point: (-0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( -30.944 -16.319 -1.738) 35.027 4.999 ( -44.765 -11.712 -5.382) 46.584 5.908 ( -22.555 12.172 4.161) 25.965 7.968 ( -46.925 -14.415 1.491) 49.112 8.439 ( -14.962 -9.789 -1.585) 17.950 9.485 ( 4.125 -0.163 -1.296) 4.327 12.451 ( 3.789 -0.277 -7.118) 8.069 13.930 ( 18.911 -3.974 3.377) 19.617 14.284 ( -3.261 2.460 -0.274) 4.094 14.635 ( 4.930 -0.433 6.253) 7.974 15.230 ( -5.025 7.423 -0.414) 8.974 16.759 ( 17.667 8.653 5.551) 20.440 ======================= Grid point 53 (42/670) ======================= q-point: (-0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -36.228 -12.514 -2.941) 38.441 4.024 ( -50.083 -12.579 -5.321) 51.912 5.649 ( -21.057 7.975 3.520) 22.790 6.941 ( -56.986 -11.040 0.905) 58.053 8.068 ( -16.884 -7.861 -1.634) 18.696 9.551 ( 3.706 0.203 -0.967) 3.835 12.516 ( 6.353 -0.148 -4.497) 7.785 14.118 ( 4.285 -1.277 1.761) 4.806 14.355 ( 6.854 3.612 4.385) 8.902 14.662 ( -0.422 -3.247 0.118) 3.277 15.225 ( -1.308 3.150 -0.217) 3.418 17.164 ( 17.798 6.428 3.926) 19.326 ======================= Grid point 54 (43/670) ======================= q-point: (-0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -39.450 -7.004 -3.094) 40.186 3.031 ( -48.920 -8.701 -3.395) 49.803 5.364 ( -19.541 3.307 2.067) 19.927 5.809 ( -63.113 -6.926 0.067) 63.492 7.694 ( -18.600 -4.318 -0.798) 19.111 9.606 ( 2.758 0.236 -1.036) 2.956 12.630 ( 8.404 0.035 -2.102) 8.663 14.161 ( 1.303 2.090 0.328) 2.484 14.441 ( -6.639 0.421 6.938) 9.612 14.661 ( 8.554 -2.886 -3.688) 9.752 15.236 ( -0.005 0.949 -0.490) 1.068 17.515 ( 15.713 3.199 1.804) 16.137 ======================= Grid point 55 (44/670) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -41.238 0.000 0.000) 41.238 2.192 ( -41.415 0.000 0.000) 41.415 4.643 ( -66.575 0.000 0.000) 66.575 5.073 ( -16.241 0.000 0.000) 16.241 7.342 ( -19.146 0.000 0.000) 19.146 9.643 ( 1.776 -0.000 -0.000) 1.776 12.790 ( 10.386 -0.000 -0.000) 10.386 14.215 ( 2.195 -0.000 -0.000) 2.195 14.278 ( -10.114 0.000 0.000) 10.114 14.784 ( 5.879 -0.000 -0.000) 5.879 15.236 ( -0.417 0.000 0.000) 0.417 17.779 ( 12.550 -0.000 -0.000) 12.550 ======================= Grid point 60 (45/670) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 29.946 11.287) 32.003 1.892 ( 0.000 37.883 6.312) 38.405 4.078 ( 0.000 64.624 4.023) 64.749 4.902 ( -0.000 11.502 -0.030) 11.502 6.945 ( -0.000 25.278 -13.787) 28.794 9.949 ( 0.000 -12.495 21.089) 24.513 12.818 ( -0.000 -12.721 -3.331) 13.150 14.069 ( 0.000 4.079 2.110) 4.592 14.427 ( -0.000 3.193 -5.216) 6.115 14.761 ( -0.000 -2.098 -2.089) 2.961 15.347 ( 0.000 0.789 9.501) 9.533 17.813 ( -0.000 -8.613 -5.605) 10.277 ======================= Grid point 61 (46/670) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 12.000 32.612 8.589) 35.795 2.396 ( 10.361 40.216 6.442) 42.026 4.864 ( 14.776 62.030 1.577) 63.785 5.079 ( 6.269 13.603 -0.385) 14.983 7.208 ( 6.870 22.864 -10.283) 25.994 9.874 ( -3.054 -10.041 14.805) 18.148 12.683 ( -0.032 -11.314 -2.646) 11.620 14.102 ( -1.571 2.215 -1.813) 3.265 14.450 ( 1.319 5.944 -2.293) 6.506 14.683 ( -3.924 -4.436 -3.160) 6.712 15.388 ( -0.335 -0.873 9.142) 9.190 17.676 ( -2.710 -10.657 -5.016) 12.087 ======================= Grid point 62 (47/670) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 17.258 30.276 4.936) 35.197 3.120 ( 22.537 42.099 8.255) 48.460 5.349 ( 8.292 17.758 -2.819) 19.800 5.813 ( 24.160 55.866 -0.324) 60.867 7.535 ( 10.649 18.258 -7.465) 22.416 9.766 ( -4.227 -7.680 9.354) 12.820 12.581 ( 1.265 -9.732 -0.649) 9.835 14.042 ( -3.629 -0.500 -7.580) 8.419 14.497 ( -8.634 4.775 -1.767) 10.023 14.613 ( 6.881 -2.174 1.229) 7.320 15.370 ( -2.853 -2.784 6.476) 7.605 17.458 ( -7.198 -12.237 -5.012) 15.056 ======================= Grid point 63 (48/670) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 19.894 26.247 1.231) 32.957 4.034 ( 29.993 40.663 8.999) 51.322 5.672 ( 7.281 22.172 -4.870) 23.840 6.781 ( 27.880 47.453 -2.745) 55.105 7.874 ( 12.969 13.484 -5.703) 19.558 9.654 ( -4.121 -5.745 5.612) 9.027 12.530 ( 2.995 -8.263 2.068) 9.029 13.908 ( -5.068 -5.206 -10.798) 13.014 14.377 ( -4.812 -0.073 0.020) 4.812 14.717 ( 0.371 2.068 3.350) 3.954 15.312 ( -2.095 -1.018 2.381) 3.331 17.150 ( -11.692 -12.485 -5.207) 17.880 ======================= Grid point 64 (49/670) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 22.017 20.561 -1.748) 30.176 4.981 ( 29.923 36.181 7.977) 47.625 6.000 ( 4.679 27.240 -6.162) 28.318 7.671 ( 28.386 34.789 -4.391) 45.115 8.205 ( 14.098 9.940 -5.339) 18.057 9.561 ( -2.960 -3.707 3.903) 6.143 12.537 ( 4.811 -6.621 4.911) 9.545 13.675 ( -6.644 -12.430 -10.062) 17.318 14.357 ( -0.327 3.822 1.859) 4.262 14.633 ( -9.449 -4.146 0.702) 10.342 15.333 ( 0.845 5.779 -0.433) 5.857 16.784 ( -14.276 -10.936 -4.723) 18.593 ======================= Grid point 65 (50/670) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 22.866 13.509 -3.574) 26.798 5.797 ( 22.071 29.184 4.849) 36.910 6.342 ( 4.000 31.704 -4.860) 32.323 8.388 ( 26.402 13.262 -3.072) 29.705 8.521 ( 13.524 12.800 -8.501) 20.470 9.517 ( -0.715 -1.335 4.022) 4.297 12.600 ( 6.324 -4.606 6.493) 10.167 13.382 ( -5.920 -16.957 -5.105) 18.672 14.332 ( -13.116 -6.044 -4.601) 15.156 14.462 ( 1.246 5.676 2.517) 6.332 15.405 ( -2.019 9.495 -2.191) 9.951 16.429 ( -13.764 -7.305 -2.871) 15.845 ======================= Grid point 66 (51/670) ======================= q-point: ( 0.47 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 21.621 5.873 -3.859) 22.734 6.309 ( 5.902 24.539 -1.171) 25.266 6.753 ( 7.334 30.389 0.215) 31.263 8.728 ( 14.471 -3.361 -2.941) 15.144 8.926 ( 17.159 10.743 -10.022) 22.589 9.551 ( 3.843 -0.214 5.012) 6.319 12.685 ( 5.116 -4.502 1.606) 7.001 13.144 ( -1.315 -15.311 6.552) 16.706 13.974 ( -14.287 -8.557 -10.047) 19.449 14.598 ( 2.699 9.261 3.188) 10.159 15.413 ( -7.279 10.581 -4.013) 13.455 16.166 ( -10.368 -1.783 -0.000) 10.520 ======================= Grid point 67 (52/670) ======================= q-point: ( 0.53 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( 16.476 -1.907 -2.961) 16.848 6.548 ( -3.868 23.721 -2.852) 24.203 7.110 ( 1.059 22.755 1.665) 22.841 8.872 ( 9.082 -5.906 -3.395) 11.353 9.185 ( 10.768 1.459 -8.566) 13.837 9.662 ( 8.084 -4.850 5.170) 10.752 12.659 ( 2.828 -9.268 -7.247) 12.100 13.094 ( -1.412 -6.439 15.760) 17.083 13.669 ( -3.727 -7.339 -8.902) 12.124 14.733 ( 0.067 8.975 2.706) 9.374 15.359 ( -9.139 12.221 -3.893) 15.749 16.033 ( -6.837 3.407 1.873) 7.865 ======================= Grid point 68 (53/670) ======================= q-point: (-0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( 6.803 -8.914 -1.682) 11.338 6.642 ( -10.478 21.741 -1.860) 24.206 7.229 ( -10.082 15.285 1.017) 18.339 8.911 ( 5.200 -8.058 -3.201) 10.110 9.294 ( 6.294 -2.397 -6.766) 9.547 9.718 ( 4.097 -10.907 5.312) 12.805 12.619 ( 5.958 -6.606 -9.139) 12.754 12.946 ( -9.139 -7.201 3.219) 12.072 13.723 ( 12.995 -1.898 6.472) 14.640 14.767 ( -5.933 6.147 0.673) 8.570 15.356 ( -5.488 15.237 -1.074) 16.231 15.999 ( -3.594 6.042 2.422) 7.435 ======================= Grid point 69 (54/670) ======================= q-point: (-0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( -4.825 -13.230 -0.613) 14.096 6.594 ( -17.911 17.174 -0.392) 24.817 7.084 ( -20.869 10.409 0.278) 23.322 8.863 ( 1.687 -11.761 -3.616) 12.419 9.322 ( 3.436 -2.999 -5.041) 6.798 9.602 ( -6.992 -12.230 5.576) 15.151 12.577 ( -5.205 -0.020 -11.712) 12.816 12.869 ( 13.064 -9.877 2.588) 16.581 14.008 ( 15.120 0.668 10.371) 18.347 14.674 ( -9.803 3.962 -0.759) 10.601 15.437 ( -4.087 15.037 0.726) 15.600 16.056 ( 2.207 6.809 3.063) 7.785 ======================= Grid point 70 (55/670) ======================= q-point: (-0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.883 ( -15.635 -13.750 -0.119) 20.821 6.306 ( -29.807 5.042 -0.966) 30.246 6.782 ( -25.938 13.454 1.469) 29.256 8.691 ( -4.076 -15.671 -4.576) 16.827 9.270 ( -21.222 -8.779 4.339) 23.372 9.342 ( 3.653 -1.693 -2.312) 4.643 12.443 ( -3.997 -0.329 -8.081) 9.021 13.131 ( 23.163 -5.892 0.925) 23.919 14.304 ( 13.252 0.964 9.076) 16.091 14.529 ( -9.802 2.630 -0.916) 10.190 15.477 ( -6.967 10.971 0.300) 12.999 16.247 ( 10.204 7.081 3.928) 13.026 ======================= Grid point 71 (56/670) ======================= q-point: (-0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( -24.943 -11.083 -0.319) 27.296 5.665 ( -42.516 -3.918 -2.409) 42.764 6.482 ( -26.294 13.604 2.869) 29.744 8.366 ( -15.239 -15.170 -3.997) 21.870 8.756 ( -29.897 -4.254 3.242) 30.372 9.399 ( 4.719 -0.567 -1.334) 4.936 12.385 ( 0.504 -0.367 -5.028) 5.067 13.511 ( 24.685 -3.276 0.805) 24.914 14.395 ( -7.203 1.769 -0.357) 7.426 14.540 ( 9.221 0.418 6.024) 11.022 15.421 ( -8.752 6.008 -0.333) 10.621 16.559 ( 15.771 6.026 3.622) 17.268 ======================= Grid point 72 (57/670) ======================= q-point: (-0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -32.322 -6.272 -0.664) 32.931 4.799 ( -50.221 -4.649 -2.125) 50.480 6.146 ( -25.637 7.015 2.029) 26.657 7.743 ( -42.810 -6.935 -0.505) 43.371 8.298 ( -18.883 -3.469 -0.175) 19.200 9.475 ( 4.697 -0.111 -0.482) 4.723 12.409 ( 4.037 -0.227 -2.380) 4.692 13.889 ( 19.985 -1.458 0.821) 20.055 14.328 ( -1.377 1.528 -0.004) 2.058 14.659 ( 2.010 -0.510 2.529) 3.270 15.320 ( -6.668 2.161 -0.277) 7.014 16.914 ( 17.986 3.407 2.071) 18.423 ======================= Grid point 73 (58/670) ======================= q-point: (-0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -37.059 0.000 0.000) 37.059 3.870 ( -52.656 0.000 0.000) 52.656 5.759 ( -23.233 0.000 0.000) 23.233 6.826 ( -57.299 0.000 0.000) 57.299 7.978 ( -17.064 0.000 0.000) 17.064 9.549 ( 3.811 -0.000 -0.000) 3.811 12.496 ( 6.562 -0.000 -0.000) 6.562 14.113 ( 6.111 -0.000 -0.000) 6.111 14.426 ( 11.359 -0.000 -0.000) 11.359 14.612 ( -6.712 0.000 0.000) 6.712 15.255 ( -2.015 0.000 0.000) 2.015 17.246 ( 17.628 -0.000 -0.000) 17.628 ======================= Grid point 80 (59/670) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 0.000 36.936 5.645) 37.365 2.754 ( 0.000 43.888 4.710) 44.140 5.147 ( -0.000 12.778 -0.052) 12.778 5.371 ( -0.000 62.764 0.992) 62.772 7.352 ( -0.000 23.826 -9.606) 25.690 9.850 ( 0.000 -9.905 12.003) 15.563 12.559 ( -0.000 -10.583 -3.390) 11.113 14.171 ( 0.000 4.117 2.949) 5.064 14.397 ( -0.000 -0.990 -7.494) 7.559 14.704 ( -0.000 -1.823 -2.424) 3.033 15.414 ( 0.000 -1.566 8.874) 9.011 17.569 ( -0.000 -11.974 -4.442) 12.771 ======================= Grid point 81 (60/670) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 7.770 36.913 3.275) 37.864 3.305 ( 10.323 45.550 4.975) 46.970 5.347 ( 7.852 13.925 -0.619) 15.998 6.086 ( 10.971 59.259 -1.170) 60.277 7.582 ( 3.913 21.412 -8.397) 23.330 9.776 ( -2.228 -8.552 8.601) 12.332 12.457 ( 1.116 -9.331 -2.433) 9.707 14.125 ( -7.360 1.589 -3.164) 8.168 14.444 ( 6.094 -5.202 -1.537) 8.158 14.650 ( -2.239 3.658 -1.969) 4.719 15.405 ( -1.917 -3.487 6.661) 7.759 17.400 ( -3.112 -13.464 -4.188) 14.439 ======================= Grid point 82 (61/670) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 10.393 33.119 0.282) 34.712 4.053 ( 20.668 44.690 6.313) 49.641 5.677 ( 12.473 17.064 -2.431) 21.276 6.875 ( 16.451 50.736 -3.810) 53.472 7.841 ( 6.536 18.177 -7.066) 20.568 9.678 ( -3.187 -6.654 5.840) 9.409 12.398 ( 2.885 -8.060 -0.465) 8.574 13.953 ( -9.285 -3.814 -7.623) 12.604 14.396 ( -0.951 -6.060 1.512) 6.318 14.752 ( 3.172 7.500 0.814) 8.183 15.338 ( -2.679 -3.781 2.949) 5.492 17.158 ( -6.911 -14.160 -4.269) 16.325 ======================= Grid point 83 (62/670) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 12.097 27.279 -2.542) 29.949 4.911 ( 25.359 40.188 6.456) 47.957 6.081 ( 12.765 22.206 -4.627) 26.029 7.587 ( 17.727 33.715 -5.314) 38.460 8.125 ( 8.783 18.137 -6.547) 21.188 9.589 ( -2.803 -3.975 4.458) 6.598 12.395 ( 5.006 -6.715 1.825) 8.572 13.669 ( -10.633 -11.627 -7.535) 17.465 14.380 ( 1.376 1.081 2.495) 3.048 14.773 ( -7.556 -0.010 1.221) 7.654 15.332 ( 3.474 2.595 -0.651) 4.385 16.857 ( -9.903 -13.133 -4.032) 16.935 ======================= Grid point 84 (63/670) ======================= q-point: ( 0.42 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 13.705 19.630 -4.515) 24.363 5.732 ( 23.434 33.415 4.611) 41.072 6.513 ( 10.197 28.056 -5.388) 30.334 8.088 ( 17.518 9.326 -3.149) 20.094 8.459 ( 9.858 20.912 -9.148) 24.864 9.545 ( -1.620 -0.513 4.286) 4.610 12.452 ( 7.132 -4.918 3.426) 9.316 13.326 ( -9.337 -16.433 -4.321) 19.388 14.465 ( 0.674 4.463 2.061) 4.962 14.543 ( -12.266 -3.151 -1.284) 12.729 15.457 ( 4.177 6.756 -2.279) 8.264 16.546 ( -10.572 -9.743 -2.725) 14.633 ======================= Grid point 85 (64/670) ======================= q-point: ( 0.47 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( 15.031 11.114 -5.030) 19.358 6.382 ( 14.878 27.190 0.273) 30.996 6.948 ( 7.425 31.117 -2.677) 32.102 8.395 ( 16.678 -3.644 -1.271) 17.119 8.766 ( 10.075 12.228 -10.493) 19.004 9.547 ( -0.607 0.869 4.052) 4.189 12.548 ( 6.230 -3.797 0.730) 7.332 13.035 ( -2.846 -16.319 3.681) 16.969 14.161 ( -18.284 -6.011 -5.947) 20.145 14.645 ( 4.285 9.456 3.291) 10.890 15.550 ( -0.356 6.839 -4.234) 8.051 16.303 ( -8.425 -3.934 -0.194) 9.300 ======================= Grid point 86 (65/670) ======================= q-point: ( 0.53 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( 14.614 2.684 -4.132) 15.422 6.790 ( 3.641 25.061 -3.363) 25.547 7.339 ( 2.864 27.652 0.857) 27.813 8.591 ( 13.412 -8.163 -1.936) 15.820 8.978 ( 10.681 2.421 -8.630) 13.944 9.553 ( 0.951 -3.771 3.695) 5.364 12.514 ( -0.375 -9.134 -6.003) 10.937 13.024 ( 9.196 -6.186 14.869) 18.545 13.754 ( -17.341 -6.128 -9.050) 20.498 14.822 ( 2.392 10.348 3.326) 11.129 15.553 ( -4.178 6.790 -5.137) 9.484 16.179 ( -5.666 1.986 1.832) 6.277 ======================= Grid point 87 (66/670) ======================= q-point: ( 0.58 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 10.372 -4.570 -2.575) 11.623 7.006 ( -5.299 24.166 -3.258) 24.954 7.562 ( -6.473 20.848 1.655) 21.892 8.679 ( 8.776 -10.725 -3.260) 14.236 9.127 ( 9.015 -0.986 -6.497) 11.156 9.536 ( 4.118 -11.075 4.405) 12.610 12.414 ( 3.458 -8.904 -5.181) 10.866 13.118 ( -8.572 -1.597 7.302) 11.373 13.512 ( 6.293 -4.294 -1.471) 7.759 14.925 ( -3.187 8.127 2.073) 8.973 15.545 ( -3.007 9.049 -3.216) 10.063 16.137 ( -4.509 4.871 2.110) 6.965 ======================= Grid point 88 (67/670) ======================= q-point: (-0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.104 ( 2.307 -8.820 -1.132) 9.186 7.060 ( -13.958 20.361 -1.229) 24.717 7.541 ( -16.614 15.237 0.936) 22.562 8.657 ( 4.899 -14.393 -3.905) 15.698 9.215 ( 4.749 -0.555 -5.214) 7.075 9.511 ( 4.295 -13.024 5.314) 14.708 12.442 ( 9.970 -5.213 -4.852) 12.252 12.849 ( -14.139 -3.032 -1.804) 14.572 13.764 ( 17.418 -0.270 7.636) 19.021 14.883 ( -9.086 4.815 0.232) 10.286 15.610 ( -0.877 10.353 -0.481) 10.401 16.132 ( -2.469 5.149 1.852) 6.003 ======================= Grid point 89 (68/670) ======================= q-point: (-0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.968 ( -7.334 -8.834 -0.239) 11.484 6.869 ( -26.364 9.257 -0.051) 27.942 7.349 ( -22.290 15.195 0.961) 26.994 8.539 ( 1.197 -16.171 -3.963) 16.693 9.258 ( 3.228 -0.193 -3.853) 5.030 9.429 ( -4.785 -8.484 4.862) 10.887 12.507 ( -3.786 0.154 -6.677) 7.678 12.737 ( 12.843 -4.875 1.406) 13.809 14.088 ( 16.087 0.583 6.348) 17.304 14.737 ( -11.262 2.569 -0.403) 11.558 15.671 ( -3.743 7.870 0.282) 8.719 16.192 ( 3.858 4.389 1.885) 6.140 ======================= Grid point 90 (69/670) ======================= q-point: (-0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.684 ( -16.880 -5.380 0.004) 17.716 6.347 ( -38.096 0.743 -0.497) 38.106 7.071 ( -26.094 10.311 1.430) 28.094 8.368 ( -3.576 -10.403 -2.707) 11.329 9.178 ( -19.348 -2.697 1.323) 19.579 9.310 ( 4.184 -0.633 -0.427) 4.253 12.397 ( -4.044 -0.108 -2.737) 4.884 13.057 ( 24.070 -1.931 0.211) 24.148 14.366 ( 13.151 0.363 3.391) 13.586 14.563 ( -10.316 1.078 -0.324) 10.377 15.622 ( -8.264 3.539 -0.006) 8.990 16.373 ( 11.585 2.862 1.503) 12.028 ======================= Grid point 91 (70/670) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.288 ( -25.585 0.000 0.000) 25.585 5.613 ( -45.966 0.000 0.000) 45.966 6.655 ( -27.705 0.000 0.000) 27.705 8.175 ( -13.987 0.000 0.000) 13.987 8.727 ( -29.759 0.000 0.000) 29.759 9.388 ( 5.034 -0.000 -0.000) 5.034 12.362 ( 0.523 -0.000 -0.000) 0.523 13.481 ( 25.084 -0.000 -0.000) 25.084 14.414 ( -7.120 0.000 0.000) 7.120 14.567 ( 8.786 -0.000 -0.000) 8.786 15.478 ( -9.628 0.000 0.000) 9.628 16.636 ( 16.207 -0.000 -0.000) 16.207 ======================= Grid point 100 (71/670) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -0.000 40.024 1.873) 40.067 3.689 ( 0.000 46.142 2.828) 46.228 5.404 ( -0.000 12.751 0.475) 12.760 6.578 ( -0.000 57.988 -2.592) 58.045 7.737 ( -0.000 21.585 -8.408) 23.165 9.740 ( 0.000 -8.121 6.934) 10.679 12.348 ( -0.000 -8.373 -2.469) 8.729 14.269 ( 0.000 2.632 3.950) 4.747 14.286 ( -0.000 -4.481 -6.811) 8.153 14.657 ( -0.000 -0.574 -2.914) 2.969 15.409 ( 0.000 -4.420 5.421) 6.995 17.271 ( -0.000 -14.662 -3.657) 15.111 ======================= Grid point 101 (72/670) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( 3.030 38.030 -0.112) 38.151 4.248 ( 10.719 44.815 2.899) 46.170 5.619 ( 9.525 13.656 0.172) 16.651 7.175 ( 6.323 50.676 -5.388) 51.352 7.939 ( 2.280 21.136 -7.406) 22.511 9.674 ( -1.576 -6.468 5.310) 8.515 12.276 ( 1.741 -7.344 -1.320) 7.662 14.076 ( -11.366 -4.447 -5.407) 13.349 14.338 ( 1.738 -3.909 3.027) 5.241 14.722 ( 6.876 4.220 -1.969) 8.305 15.351 ( -2.588 -5.326 2.947) 6.614 17.080 ( -3.056 -15.494 -3.593) 16.196 ======================= Grid point 102 (73/670) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.891 ( 3.506 32.769 -2.595) 33.058 4.950 ( 18.900 40.054 3.490) 44.426 5.996 ( 16.265 16.618 -1.238) 23.286 7.693 ( 6.487 32.661 -8.189) 34.291 8.201 ( 4.926 24.934 -5.989) 26.112 9.611 ( -1.880 -3.105 4.482) 5.767 12.254 ( 3.939 -6.350 0.305) 7.479 13.751 ( -14.304 -10.992 -4.970) 18.712 14.361 ( 2.629 0.403 3.135) 4.111 14.854 ( 0.901 2.114 -0.409) 2.334 15.283 ( 1.305 -2.159 -0.244) 2.534 16.835 ( -5.704 -15.041 -3.511) 16.465 ======================= Grid point 103 (74/670) ======================= q-point: ( 0.42 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.232 ( 3.959 25.364 -4.593) 26.079 5.685 ( 21.896 32.546 2.572) 39.310 6.484 ( 18.704 21.055 -2.481) 28.271 7.989 ( 5.669 13.913 -6.387) 16.325 8.521 ( 4.987 23.083 -7.588) 24.805 9.593 ( -1.407 1.989 4.254) 4.903 12.292 ( 6.614 -4.957 1.680) 8.434 13.355 ( -13.914 -15.131 -2.865) 20.754 14.465 ( 4.743 4.701 3.110) 7.366 14.730 ( -11.826 -3.197 -1.259) 12.316 15.388 ( 8.133 3.311 -2.412) 9.106 16.575 ( -6.649 -12.277 -2.631) 14.207 ======================= Grid point 104 (75/670) ======================= q-point: ( 0.47 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.502 ( 5.254 16.718 -5.381) 18.331 6.346 ( 19.862 25.583 -0.237) 32.389 7.019 ( 16.853 24.947 -2.190) 30.186 8.162 ( 7.280 2.848 -2.667) 8.260 8.736 ( 3.438 12.058 -8.571) 15.188 9.613 ( -2.562 3.954 3.301) 5.753 12.394 ( 8.389 -2.604 1.168) 8.861 12.980 ( -9.484 -16.515 1.207) 19.082 14.402 ( -16.588 -4.648 -3.333) 17.546 14.664 ( 5.311 8.988 3.407) 10.982 15.535 ( 5.635 2.953 -4.378) 7.722 16.367 ( -5.112 -6.699 -0.544) 8.444 ======================= Grid point 105 (76/670) ======================= q-point: ( 0.53 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.712 ( 7.156 8.009 -4.695) 11.722 6.869 ( 13.733 22.293 -3.231) 26.382 7.516 ( 10.427 26.397 -0.586) 28.388 8.289 ( 10.067 -5.948 -0.026) 11.693 8.841 ( 4.195 3.362 -7.870) 9.531 9.576 ( -4.887 -1.145 2.302) 5.523 12.446 ( -1.424 -4.563 -5.022) 6.933 12.820 ( 8.381 -10.342 10.247) 16.799 14.015 ( -20.408 -4.206 -5.260) 21.491 14.875 ( 5.117 10.581 3.881) 12.377 15.597 ( 1.538 1.600 -5.850) 6.257 16.268 ( -2.769 -0.364 1.462) 3.153 ======================= Grid point 106 (77/670) ======================= q-point: ( 0.58 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.871 ( 7.825 0.585 -3.090) 8.434 7.242 ( 5.019 22.617 -4.130) 23.533 7.851 ( -0.761 21.545 1.121) 21.588 8.398 ( 10.775 -8.972 -0.074) 14.021 8.916 ( 8.309 -2.793 -6.453) 10.885 9.451 ( -4.332 -8.211 2.533) 9.623 12.306 ( -2.309 -7.013 -3.864) 8.333 13.051 ( 16.287 -1.971 10.792) 19.637 13.595 ( -19.921 -3.853 -6.355) 21.263 15.046 ( 0.530 9.122 3.262) 9.702 15.608 ( 0.819 2.699 -4.838) 5.600 16.248 ( -2.551 2.930 1.782) 4.274 ======================= Grid point 107 (78/670) ======================= q-point: (-0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 5.382 -3.736 -1.459) 6.713 7.448 ( -6.485 21.682 -2.531) 22.772 7.932 ( -8.707 12.705 1.773) 15.504 8.422 ( 2.785 -10.985 -2.390) 11.581 9.055 ( 12.719 -1.933 -4.800) 13.731 9.325 ( 0.961 -11.525 3.945) 12.219 12.248 ( 4.251 -4.659 -2.446) 6.765 13.122 ( -18.068 -0.543 0.091) 18.076 13.464 ( 17.590 -1.759 3.038) 17.937 15.073 ( -6.549 5.004 1.197) 8.328 15.665 ( 2.651 4.778 -1.843) 5.767 16.235 ( -3.301 3.253 1.246) 4.799 ======================= Grid point 108 (79/670) ======================= q-point: (-0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.967 ( -0.319 -3.687 -0.383) 3.721 7.371 ( -20.443 9.243 -0.287) 22.437 7.857 ( -17.904 15.139 1.236) 23.479 8.309 ( 4.526 -16.212 -2.748) 17.055 9.201 ( 3.273 2.625 -4.072) 5.847 9.320 ( 8.378 -8.603 4.353) 12.773 12.347 ( 11.465 -1.810 -1.535) 11.708 12.799 ( -15.421 -0.840 -1.089) 15.482 13.806 ( 18.981 0.029 3.094) 19.231 14.952 ( -10.757 1.844 0.053) 10.914 15.749 ( 1.458 3.649 -0.137) 3.932 16.215 ( -1.865 1.981 0.672) 2.803 ======================= Grid point 109 (80/670) ======================= q-point: (-0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -8.173 0.000 0.000) 8.173 6.957 ( -31.037 0.000 0.000) 31.037 7.567 ( -23.974 0.000 0.000) 23.974 8.302 ( 3.425 -0.000 -0.000) 3.425 9.245 ( 2.774 -0.000 -0.000) 2.774 9.358 ( -2.870 0.000 0.000) 2.870 12.484 ( -3.052 0.000 0.000) 3.052 12.694 ( 12.522 -0.000 -0.000) 12.522 14.119 ( 16.324 -0.000 -0.000) 16.324 14.762 ( -11.765 0.000 0.000) 11.765 15.751 ( -3.891 0.000 0.000) 3.891 16.245 ( 4.629 -0.000 -0.000) 4.629 ======================= Grid point 120 (81/670) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -0.000 38.372 -0.652) 38.378 4.594 ( -0.000 41.639 0.669) 41.645 5.670 ( 0.000 13.646 1.723) 13.754 7.578 ( -0.000 42.781 -8.361) 43.590 8.120 ( -0.000 24.886 -6.108) 25.624 9.649 ( 0.000 -4.612 4.619) 6.527 12.187 ( -0.000 -6.589 -0.911) 6.652 14.122 ( -0.000 -7.581 -4.375) 8.753 14.311 ( 0.000 -1.822 3.703) 4.127 14.656 ( -0.000 2.953 -2.376) 3.791 15.329 ( 0.000 -5.917 1.785) 6.180 16.933 ( -0.000 -16.359 -3.443) 16.718 ======================= Grid point 121 (82/670) ======================= q-point: ( 0.37 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( -0.823 34.401 -2.200) 34.481 5.075 ( 10.720 34.799 0.249) 36.413 5.917 ( 10.313 16.441 1.854) 19.496 7.898 ( 0.896 25.984 -11.071) 28.258 8.398 ( 1.945 29.925 -4.621) 30.342 9.632 ( -0.711 0.156 4.284) 4.346 12.140 ( 2.130 -6.016 0.076) 6.382 13.882 ( -13.847 -10.530 -3.052) 17.662 14.326 ( 2.903 -0.924 3.091) 4.339 14.780 ( 8.099 2.996 -1.626) 8.787 15.255 ( -1.667 -4.997 0.274) 5.275 16.734 ( -2.374 -16.254 -3.491) 16.793 ======================= Grid point 122 (83/670) ======================= q-point: ( 0.42 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.478 ( -2.320 27.825 -3.914) 28.195 5.633 ( 18.329 25.459 -0.244) 31.372 6.351 ( 17.510 19.724 1.376) 26.411 8.068 ( 0.298 15.408 -9.366) 18.034 8.675 ( 0.799 21.696 -5.699) 22.446 9.674 ( -0.944 7.687 3.849) 8.648 12.145 ( 4.909 -5.292 1.019) 7.290 13.476 ( -17.038 -13.318 -1.510) 21.678 14.424 ( 5.841 2.675 3.071) 7.120 14.843 ( -3.571 -1.272 -1.469) 4.066 15.253 ( 6.693 -0.541 -1.696) 6.926 16.516 ( -3.250 -14.133 -2.930) 14.794 ======================= Grid point 123 (84/670) ======================= q-point: ( 0.47 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( -2.871 19.809 -4.762) 20.575 6.198 ( 21.953 18.122 -1.717) 28.518 6.892 ( 20.738 19.852 1.148) 28.731 8.162 ( -0.147 9.170 -5.806) 10.855 8.806 ( -0.935 10.375 -5.763) 11.905 9.745 ( -3.829 9.779 2.355) 10.763 12.220 ( 8.501 -3.453 1.268) 9.262 13.049 ( -15.530 -14.081 0.488) 20.969 14.545 ( -1.432 -0.812 0.275) 1.669 14.715 ( -3.978 4.866 1.170) 6.393 15.396 ( 9.300 -0.615 -4.061) 10.167 16.343 ( -1.785 -9.101 -1.179) 9.349 ======================= Grid point 124 (85/670) ======================= q-point: ( 0.53 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.749 ( -1.632 11.491 -4.300) 12.377 6.729 ( 21.708 14.126 -3.172) 26.093 7.450 ( 21.134 17.878 1.052) 27.701 8.200 ( -0.851 2.945 -2.101) 3.717 8.835 ( -1.200 4.182 -5.141) 6.735 9.714 ( -8.778 3.657 1.132) 9.577 12.369 ( 8.657 0.443 -1.713) 8.836 12.699 ( -7.558 -13.758 4.936) 16.455 14.297 ( -17.429 -3.109 -3.026) 17.961 14.888 ( 6.927 10.106 4.328) 12.994 15.496 ( 6.442 -2.817 -5.943) 9.206 16.275 ( 0.616 -2.784 0.760) 2.951 ======================= Grid point 125 (86/670) ======================= q-point: ( 0.58 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.806 ( 1.081 4.245 -2.808) 5.204 7.201 ( 18.717 13.091 -3.560) 23.117 7.964 ( 15.071 17.702 -0.016) 23.248 8.181 ( 1.890 -4.876 1.716) 5.504 8.813 ( -1.272 -0.706 -4.726) 4.945 9.536 ( -11.314 -3.376 0.969) 11.846 12.325 ( -7.322 -3.468 -3.432) 8.799 12.748 ( 17.363 -4.328 6.924) 19.187 13.919 ( -21.439 -2.133 -3.071) 21.763 15.109 ( 4.352 9.202 4.258) 11.034 15.536 ( 4.964 -2.742 -5.676) 8.023 16.289 ( 0.761 0.802 1.209) 1.638 ======================= Grid point 126 (87/670) ======================= q-point: ( 0.63 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.858 ( 3.495 -0.035 -1.137) 3.676 7.608 ( 13.058 15.318 -2.820) 20.325 8.012 ( -5.507 -6.919 0.887) 8.888 8.446 ( 6.589 14.516 2.569) 16.147 8.749 ( 6.211 -10.562 -4.292) 12.983 9.318 ( -7.803 -4.730 1.081) 9.189 12.192 ( -2.564 -2.443 -1.218) 3.745 13.086 ( 20.688 -0.385 3.935) 21.063 13.508 ( -22.343 -1.383 -2.388) 22.512 15.207 ( -2.776 4.153 1.790) 5.306 15.603 ( 6.241 0.132 -2.382) 6.681 16.303 ( -1.153 1.269 0.680) 1.844 ======================= Grid point 127 (88/670) ======================= q-point: (-0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.917 ( 3.439 -0.000 -0.000) 3.439 7.737 ( -15.285 0.000 0.000) 15.285 7.987 ( 14.571 -0.000 -0.000) 14.571 8.326 ( -19.425 0.000 0.000) 19.425 8.998 ( 20.416 -0.000 -0.000) 20.416 9.215 ( -1.883 0.000 0.000) 1.883 12.193 ( 4.542 -0.000 -0.000) 4.542 13.114 ( -20.906 0.000 0.000) 20.906 13.462 ( 21.089 -0.000 -0.000) 21.089 15.129 ( -8.074 0.000 0.000) 8.074 15.706 ( 5.015 -0.000 -0.000) 5.015 16.274 ( -2.927 0.000 0.000) 2.927 ======================= Grid point 140 (89/670) ======================= q-point: ( 0.37 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( -0.000 31.486 -2.273) 31.568 5.279 ( -0.000 25.254 -1.337) 25.289 6.019 ( 0.000 20.512 3.101) 20.745 8.068 ( -0.000 18.193 -11.914) 21.747 8.661 ( -0.000 26.585 -4.148) 26.906 9.689 ( 0.000 7.772 3.990) 8.736 12.063 ( 0.000 -5.949 0.505) 5.970 13.925 ( -0.000 -9.563 -1.809) 9.733 14.257 ( 0.000 -5.129 1.817) 5.441 14.731 ( -0.000 4.976 -0.548) 5.006 15.223 ( 0.000 -4.833 0.139) 4.835 16.575 ( -0.000 -16.476 -3.801) 16.909 ======================= Grid point 141 (90/670) ======================= q-point: ( 0.42 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.792 ( -3.296 25.681 -3.068) 26.073 5.574 ( 11.031 15.970 -1.396) 19.460 6.333 ( 9.371 22.355 2.757) 24.396 8.178 ( -0.329 13.308 -10.229) 16.788 8.848 ( -0.914 14.562 -3.982) 15.124 9.822 ( -0.871 16.572 2.959) 16.856 12.028 ( 2.601 -5.907 0.994) 6.530 13.646 ( -16.254 -10.971 -0.752) 19.625 14.316 ( 8.707 -2.109 1.745) 9.127 14.825 ( 3.859 2.709 -0.756) 4.775 15.176 ( 0.178 -2.715 -0.191) 2.727 16.392 ( -0.855 -14.890 -3.628) 15.349 ======================= Grid point 142 (91/670) ======================= q-point: ( 0.47 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.917 ( -6.104 18.522 -3.548) 19.822 5.964 ( 19.352 10.172 -1.694) 21.928 6.771 ( 15.571 18.721 2.199) 24.449 8.248 ( -0.995 9.373 -7.103) 11.802 8.905 ( -2.179 6.324 -3.203) 7.416 9.959 ( -4.798 16.175 1.367) 16.927 12.052 ( 6.389 -4.847 1.162) 8.104 13.225 ( -18.544 -10.731 0.304) 21.428 14.476 ( 8.409 0.228 1.480) 8.541 14.842 ( -3.916 2.738 0.321) 4.789 15.212 ( 6.926 -2.437 -2.565) 7.778 16.246 ( 0.650 -10.452 -2.158) 10.692 ======================= Grid point 143 (92/670) ======================= q-point: ( 0.53 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.933 ( -7.153 10.955 -3.056) 13.435 6.416 ( 23.692 6.559 -2.039) 24.667 7.242 ( 19.680 12.745 1.674) 23.506 8.272 ( -2.410 5.254 -3.669) 6.847 8.896 ( -2.651 2.999 -2.434) 4.685 9.952 ( -10.912 8.312 0.367) 13.722 12.172 ( 11.212 -1.976 0.629) 11.402 12.822 ( -16.591 -8.803 1.337) 18.829 14.494 ( -7.633 -2.054 -1.233) 8.000 14.892 ( 4.383 8.928 4.170) 10.785 15.296 ( 8.379 -5.595 -5.251) 11.362 16.204 ( 3.348 -4.337 -0.177) 5.482 ======================= Grid point 144 (93/670) ======================= q-point: ( 0.58 0.37 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.885 ( -5.497 4.143 -1.646) 7.078 6.883 ( 24.693 3.978 -1.622) 25.064 7.713 ( 22.828 6.879 0.981) 23.862 8.235 ( -4.827 1.370 -0.967) 5.110 8.857 ( -3.386 1.051 -1.657) 3.914 9.765 ( -15.247 1.103 0.144) 15.288 12.392 ( 10.513 3.994 -3.888) 11.899 12.511 ( -7.462 -8.821 5.347) 12.731 14.239 ( -17.668 -1.035 -1.196) 17.738 15.116 ( 6.857 8.608 4.802) 12.007 15.352 ( 8.057 -6.287 -5.552) 11.631 16.250 ( 3.904 -0.579 0.459) 3.973 ======================= Grid point 145 (94/670) ======================= q-point: (-0.37 -0.63 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( -1.239 0.000 0.000) 1.239 7.321 ( 23.246 -0.000 -0.000) 23.246 8.126 ( -7.989 0.000 0.000) 7.989 8.169 ( 25.078 -0.000 -0.000) 25.078 8.777 ( -6.429 0.000 0.000) 6.429 9.498 ( -14.566 0.000 0.000) 14.566 12.275 ( -8.621 0.000 0.000) 8.621 12.733 ( 19.904 -0.000 -0.000) 19.904 13.886 ( -21.763 0.000 0.000) 21.763 15.251 ( 1.422 -0.000 -0.000) 1.422 15.455 ( 9.086 -0.000 -0.000) 9.086 16.303 ( 1.864 -0.000 -0.000) 1.864 ======================= Grid point 161 (95/670) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.044 ( -0.000 20.147 -2.611) 20.316 5.595 ( -0.000 9.513 -1.060) 9.571 6.484 ( 0.000 21.074 2.215) 21.190 8.263 ( -0.000 10.344 -8.904) 13.648 8.948 ( -0.000 6.565 -2.567) 7.049 10.040 ( 0.000 21.653 1.718) 21.721 11.946 ( 0.000 -6.421 1.078) 6.511 13.730 ( 0.000 -8.528 -0.442) 8.539 14.160 ( 0.000 -4.881 0.618) 4.920 14.823 ( 0.000 3.941 0.270) 3.950 15.159 ( 0.000 -1.649 0.764) 1.818 16.236 ( -0.000 -13.812 -3.970) 14.371 ======================= Grid point 162 (96/670) ======================= q-point: ( 0.47 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.164 ( -4.373 13.433 -2.281) 14.310 5.764 ( 11.216 5.533 -0.830) 12.534 6.746 ( 7.903 15.106 1.521) 17.116 8.317 ( -0.453 6.973 -6.050) 9.243 8.971 ( -1.348 2.679 -1.572) 3.386 10.217 ( -3.979 17.541 0.670) 18.000 11.917 ( 3.514 -5.544 0.952) 6.632 13.458 ( -17.610 -7.048 0.046) 18.968 14.276 ( 13.155 -2.243 0.506) 13.355 14.881 ( 1.973 2.807 0.333) 3.447 15.141 ( -0.842 -1.040 0.152) 1.347 16.111 ( 1.495 -9.832 -2.865) 10.350 ======================= Grid point 163 (97/670) ======================= q-point: ( 0.53 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.149 ( -7.700 6.473 -1.456) 10.164 6.073 ( 19.623 2.598 -0.704) 19.807 7.054 ( 14.108 7.335 0.867) 15.924 8.337 ( -1.381 3.271 -2.702) 4.462 8.954 ( -2.213 1.164 -0.845) 2.639 10.226 ( -10.109 7.803 0.109) 12.771 11.979 ( 8.267 -2.529 0.534) 8.661 13.075 ( -19.196 -4.136 0.335) 19.639 14.471 ( 8.146 -0.615 0.115) 8.170 14.950 ( 1.430 5.804 2.665) 6.545 15.112 ( 2.121 -5.039 -3.132) 6.301 16.088 ( 4.449 -3.850 -0.805) 5.938 ======================= Grid point 164 (98/670) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.032 ( -8.560 0.000 0.000) 8.560 6.469 ( 24.192 -0.000 -0.000) 24.192 7.382 ( 19.271 -0.000 -0.000) 19.271 8.311 ( -3.009 0.000 0.000) 3.009 8.914 ( -2.815 0.000 0.000) 2.815 10.042 ( -14.651 0.000 0.000) 14.651 12.154 ( 12.953 -0.000 -0.000) 12.953 12.736 ( -17.219 0.000 0.000) 17.219 14.467 ( -8.202 0.000 0.000) 8.202 15.084 ( 5.032 -0.000 -0.000) 5.032 15.132 ( 8.613 -0.000 -0.000) 8.613 16.161 ( 5.523 -0.000 -0.000) 5.523 ======================= Grid point 182 (99/670) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.298 ( -0.000 6.796 -1.178) 6.898 5.703 ( -0.000 2.544 -0.302) 2.561 6.801 ( 0.000 8.275 0.713) 8.305 8.356 ( -0.000 3.656 -3.321) 4.939 8.996 ( -0.000 0.909 -0.659) 1.122 10.407 ( -0.000 11.113 0.240) 11.116 11.838 ( 0.000 -3.975 0.556) 4.014 13.603 ( 0.000 -3.447 -0.076) 3.447 14.091 ( 0.000 -2.001 0.126) 2.005 14.880 ( 0.000 1.461 0.189) 1.473 15.160 ( 0.000 0.368 0.900) 0.972 16.003 ( -0.000 -6.036 -2.075) 6.383 ======================= Grid point 183 (100/670) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.290 ( -4.586 0.000 0.000) 4.586 5.814 ( 11.154 -0.000 -0.000) 11.154 6.908 ( 7.325 -0.000 -0.000) 7.325 8.364 ( -0.521 0.000 0.000) 0.521 8.988 ( -1.237 0.000 0.000) 1.237 10.413 ( -5.894 0.000 0.000) 5.894 11.856 ( 4.297 -0.000 -0.000) 4.297 13.385 ( -17.998 0.000 0.000) 17.998 14.253 ( 14.488 -0.000 -0.000) 14.488 14.917 ( 3.310 -0.000 -0.000) 3.310 15.131 ( -3.570 0.000 0.000) 3.570 15.995 ( 3.042 -0.000 -0.000) 3.042 ======================= Grid point 387 (101/670) ======================= q-point: ( 0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 0.000 -0.000 23.634) 23.634 0.271 ( 0.000 -0.000 23.634) 23.634 0.579 ( 0.000 -0.000 50.490) 50.490 4.522 ( -0.000 0.000 -0.229) 0.229 4.522 ( -0.000 0.000 -0.229) 0.229 13.117 ( -0.000 0.000 -3.637) 3.637 13.892 ( -0.000 0.000 -0.831) 0.831 13.892 ( -0.000 0.000 -0.831) 0.831 14.877 ( 0.000 -0.000 0.467) 0.467 14.877 ( 0.000 -0.000 0.467) 0.467 15.215 ( 0.000 -0.000 2.908) 2.908 16.882 ( -0.000 0.000 -0.510) 0.510 ======================= Grid point 388 (102/670) ======================= q-point: ( 0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 20.194 11.659 14.457) 27.436 0.749 ( 10.191 5.884 34.506) 36.458 1.418 ( 52.130 30.097 12.871) 61.555 4.556 ( 3.367 1.944 -0.742) 3.958 5.918 ( 47.691 27.535 -53.149) 76.534 10.826 ( -69.536 -40.147 99.102) 127.547 13.466 ( -14.243 -8.223 2.505) 16.637 13.884 ( 0.501 0.289 -2.149) 2.226 14.055 ( 6.198 3.578 -1.381) 7.288 14.891 ( 0.118 0.068 1.714) 1.720 15.240 ( 1.002 0.578 4.635) 4.777 17.997 ( 10.076 5.817 -19.157) 22.413 ======================= Grid point 389 (103/670) ======================= q-point: ( 0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 18.621 10.751 27.606) 34.991 1.252 ( 28.603 16.514 11.816) 35.078 2.704 ( 55.631 32.118 4.837) 64.418 4.669 ( 6.616 3.820 -1.377) 7.762 6.579 ( 27.606 15.938 -23.096) 39.364 10.173 ( -22.428 -12.949 43.785) 50.871 13.191 ( -10.715 -6.186 2.004) 12.534 13.900 ( 1.667 0.963 -2.858) 3.446 14.158 ( 4.084 2.358 -9.468) 10.578 14.894 ( -0.569 -0.328 2.423) 2.511 15.292 ( 1.235 0.713 7.095) 7.236 17.988 ( -3.781 -2.183 -7.700) 8.851 ======================= Grid point 390 (104/670) ======================= q-point: ( 0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 27.483 15.867 18.893) 36.932 2.048 ( 36.387 21.008 11.491) 43.560 4.003 ( 55.894 32.271 1.571) 64.560 4.838 ( 8.316 4.801 -2.432) 9.906 7.103 ( 23.768 13.722 -9.981) 29.204 9.922 ( -11.725 -6.769 21.717) 25.591 12.988 ( -7.900 -4.561 3.897) 9.920 13.940 ( 2.818 1.627 -2.754) 4.263 14.176 ( 1.779 1.027 -14.687) 14.830 14.882 ( -1.330 -0.768 2.481) 2.918 15.332 ( -0.630 -0.364 8.048) 8.081 17.797 ( -10.343 -5.972 -6.067) 13.396 ======================= Grid point 391 (105/670) ======================= q-point: ( 0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 32.465 18.744 11.954) 39.347 2.994 ( 41.333 23.863 10.881) 48.951 5.021 ( 8.418 4.860 -3.664) 10.387 5.283 ( 54.756 31.613 -0.707) 63.230 7.603 ( 21.965 12.682 -4.422) 25.746 9.764 ( -7.643 -4.413 10.681) 13.856 12.854 ( -5.509 -3.181 6.522) 9.111 14.009 ( 3.876 2.238 -1.824) 4.832 14.136 ( 0.123 0.071 -17.572) 17.572 14.850 ( -2.145 -1.238 1.913) 3.130 15.309 ( -4.058 -2.343 6.956) 8.387 17.474 ( -15.372 -8.875 -6.643) 18.952 ======================= Grid point 392 (106/670) ======================= q-point: ( 0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 33.701 19.457 6.551) 39.462 4.001 ( 41.957 24.224 9.298) 49.332 5.196 ( 8.138 4.698 -4.290) 10.330 6.506 ( 51.528 29.750 -2.941) 59.573 8.079 ( 20.456 11.810 -2.277) 23.730 9.645 ( -5.188 -2.995 4.709) 7.620 12.780 ( -3.711 -2.143 9.690) 10.595 14.048 ( -1.893 -1.093 -18.665) 18.792 14.103 ( 4.557 2.631 -0.274) 5.270 14.796 ( -3.000 -1.732 0.803) 3.557 15.191 ( -8.193 -4.730 4.200) 10.351 17.056 ( -18.170 -10.491 -7.116) 22.155 ======================= Grid point 393 (107/670) ======================= q-point: ( 0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.153 ( 32.026 18.490 2.449) 37.062 4.962 ( 38.053 21.970 7.138) 44.516 5.369 ( 8.313 4.799 -3.944) 10.377 7.610 ( 45.063 26.017 -5.952) 52.373 8.527 ( 18.880 10.900 -1.247) 21.836 9.566 ( -2.601 -1.502 2.229) 3.740 12.756 ( -2.119 -1.223 12.898) 13.129 13.906 ( -4.387 -2.533 -17.811) 18.517 14.212 ( 4.550 2.627 1.579) 5.486 14.718 ( -3.742 -2.161 -0.734) 4.383 14.961 ( -12.344 -7.127 -0.132) 14.255 16.609 ( -17.841 -10.300 -6.133) 21.494 ======================= Grid point 394 (108/670) ======================= q-point: ( 0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.850 ( 27.625 15.949 -0.304) 31.900 5.544 ( 7.976 4.605 -1.476) 9.327 5.783 ( 30.430 17.569 3.519) 35.313 8.496 ( 33.474 19.326 -10.170) 39.968 8.925 ( 15.222 8.789 -0.670) 17.590 9.568 ( 2.928 1.691 3.475) 4.848 12.777 ( -0.751 -0.434 14.464) 14.490 13.721 ( -6.052 -3.494 -13.967) 15.618 14.319 ( 3.730 2.153 3.476) 5.535 14.622 ( -3.927 -2.267 -2.558) 5.206 14.633 ( -14.654 -8.460 -5.305) 17.733 16.211 ( -14.673 -8.471 -3.545) 17.310 ======================= Grid point 395 (109/670) ======================= q-point: ( 0.47 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.398 ( 19.696 11.372 -1.726) 22.809 5.705 ( 6.074 3.507 -0.810) 7.061 6.375 ( 19.609 11.321 2.049) 22.735 9.011 ( 12.195 7.041 -7.044) 15.744 9.211 ( 13.234 7.641 -7.623) 17.077 9.762 ( 10.648 6.148 7.300) 14.299 12.809 ( -1.170 -0.675 9.854) 9.946 13.550 ( -4.865 -2.809 -5.299) 7.723 14.290 ( -11.555 -6.671 -8.132) 15.625 14.401 ( 1.609 0.929 4.684) 5.039 14.531 ( -2.395 -1.383 -3.920) 4.797 15.920 ( -9.724 -5.614 -0.572) 11.243 ======================= Grid point 396 (110/670) ======================= q-point: ( 0.53 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.713 ( 7.601 4.388 -2.101) 9.024 5.802 ( 2.300 1.328 -0.500) 2.703 6.685 ( 6.536 3.774 0.962) 7.608 9.107 ( 1.327 0.766 -2.107) 2.605 9.467 ( 9.724 5.614 -10.268) 15.215 9.977 ( 3.341 1.929 7.086) 8.069 12.764 ( -4.079 -2.355 -3.125) 5.653 13.479 ( -1.056 -0.610 4.439) 4.604 14.109 ( -1.132 -0.654 -3.045) 3.314 14.396 ( -1.979 -1.143 -1.525) 2.748 14.521 ( 1.425 0.822 1.991) 2.583 15.771 ( -3.162 -1.826 1.942) 4.135 ======================= Grid point 397 (111/670) ======================= q-point: (-0.42 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.715 ( -6.834 -3.946 -1.934) 8.125 5.802 ( -2.073 -1.197 -0.487) 2.443 6.676 ( -7.561 -4.366 0.191) 8.733 9.116 ( 0.049 0.028 -1.246) 1.247 9.549 ( 0.305 0.176 -5.915) 5.925 9.915 ( -11.024 -6.365 4.410) 13.472 12.626 ( -4.371 -2.524 -12.318) 13.312 13.537 ( 4.485 2.590 6.398) 8.232 14.211 ( 8.298 4.791 5.968) 11.288 14.344 ( -1.322 -0.763 -4.202) 4.471 14.569 ( 1.461 0.844 4.348) 4.664 15.797 ( 4.457 2.573 4.199) 6.642 ======================= Grid point 398 (112/670) ======================= q-point: (-0.37 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.396 ( -19.696 -11.371 -1.948) 22.826 5.710 ( -5.554 -3.207 -0.346) 6.423 6.344 ( -20.875 -12.052 -0.591) 24.111 9.066 ( -5.406 -3.121 -1.097) 6.338 9.438 ( -17.423 -10.059 10.570) 22.726 9.548 ( -10.904 -6.295 -10.904) 16.656 12.504 ( -1.423 -0.821 -14.013) 14.109 13.729 ( 9.484 5.475 6.978) 12.985 14.301 ( -1.181 -0.682 -3.920) 4.150 14.476 ( 11.265 6.504 8.546) 15.564 14.620 ( 1.655 0.955 3.845) 4.294 16.001 ( 11.246 6.493 6.327) 14.445 ======================= Grid point 399 (113/670) ======================= q-point: (-0.32 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.821 ( -28.843 -16.652 -2.796) 33.422 5.517 ( -14.664 -8.466 -3.606) 17.312 5.766 ( -24.642 -14.227 2.045) 28.528 8.696 ( -36.172 -20.884 6.945) 42.342 8.878 ( -16.127 -9.311 -5.174) 19.327 9.485 ( 1.345 0.776 -2.988) 3.367 12.460 ( 1.865 1.077 -12.344) 12.531 13.992 ( 10.070 5.814 7.866) 14.039 14.254 ( -1.975 -1.140 -2.128) 3.119 14.674 ( 2.026 1.170 1.991) 3.072 14.760 ( 10.406 6.008 6.672) 13.744 16.346 ( 15.926 9.195 7.669) 19.925 ======================= Grid point 400 (114/670) ======================= q-point: (-0.26 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.071 ( -34.498 -19.918 -4.604) 40.100 4.794 ( -39.133 -22.593 -7.038) 45.731 5.471 ( -8.623 -4.979 4.625) 10.979 7.722 ( -47.665 -27.520 3.650) 55.160 8.489 ( -17.231 -9.949 -4.263) 20.349 9.527 ( 2.512 1.451 -0.990) 3.065 12.491 ( 4.376 2.527 -9.956) 11.165 14.194 ( -2.828 -1.633 0.047) 3.266 14.225 ( 7.147 4.126 8.462) 11.820 14.726 ( 2.068 1.194 -0.094) 2.389 14.991 ( 7.723 4.459 3.712) 9.660 16.771 ( 17.994 10.389 7.460) 22.077 ======================= Grid point 401 (115/670) ======================= q-point: (-0.21 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -37.193 -21.474 -6.871) 43.493 3.804 ( -43.271 -24.983 -7.372) 50.506 5.293 ( -8.633 -4.984 3.974) 10.731 6.566 ( -53.140 -30.681 2.291) 61.404 8.058 ( -18.637 -10.760 -3.871) 21.865 9.582 ( 2.353 1.358 -0.707) 2.807 12.580 ( 6.150 3.551 -7.665) 10.449 14.127 ( -3.186 -1.840 1.847) 4.117 14.379 ( 3.353 1.936 8.581) 9.414 14.767 ( 1.816 1.049 -1.726) 2.716 15.141 ( 4.490 2.592 1.155) 5.312 17.208 ( 17.202 9.932 5.716) 20.670 ======================= Grid point 402 (116/670) ======================= q-point: (-0.16 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -36.839 -21.269 -8.625) 43.404 2.788 ( -41.816 -24.143 -6.513) 48.723 5.097 ( -9.496 -5.483 2.779) 11.312 5.311 ( -56.133 -32.408 1.759) 64.841 7.611 ( -18.665 -10.776 -3.708) 21.869 9.627 ( 1.763 1.018 -0.699) 2.152 12.715 ( 7.802 4.504 -5.602) 10.608 14.064 ( -3.078 -1.777 2.902) 4.588 14.447 ( -0.114 -0.066 7.957) 7.958 14.797 ( 1.534 0.886 -2.671) 3.205 15.211 ( 1.637 0.945 -0.291) 1.912 17.589 ( 14.111 8.147 3.108) 16.588 ======================= Grid point 403 (117/670) ======================= q-point: (-0.11 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -32.960 -19.029 -8.215) 38.935 1.863 ( -36.130 -20.860 -3.894) 41.901 4.006 ( -57.490 -33.192 1.865) 66.410 4.884 ( -9.337 -5.391 1.514) 10.887 7.181 ( -17.015 -9.823 -4.431) 20.140 9.659 ( 1.095 0.632 1.226) 1.761 12.900 ( 9.866 5.696 -3.787) 12.005 14.008 ( -2.755 -1.591 3.015) 4.383 14.431 ( -3.708 -2.141 6.066) 7.425 14.819 ( 1.344 0.776 -2.845) 3.241 15.225 ( -0.104 -0.060 -0.027) 0.123 17.873 ( 9.982 5.763 0.397) 11.533 ======================= Grid point 404 (118/670) ======================= q-point: (-0.05 0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -24.989 -14.428 -0.942) 28.871 1.109 ( -28.651 -16.542 0.430) 33.086 2.684 ( -57.864 -33.408 3.109) 66.888 4.694 ( -7.203 -4.159 0.713) 8.347 6.798 ( -13.959 -8.059 -11.358) 19.718 9.707 ( 1.836 1.060 13.611) 13.776 13.142 ( 12.049 6.957 -2.408) 14.120 13.959 ( -2.316 -1.337 2.204) 3.466 14.318 ( -7.728 -4.462 3.597) 9.621 14.839 ( 1.211 0.699 -2.233) 2.634 15.218 ( -0.590 -0.341 1.415) 1.570 18.053 ( 5.946 3.433 -2.526) 7.316 ======================= Grid point 407 (119/670) ======================= q-point: ( 0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 20.316 15.890) 25.792 0.769 ( 0.000 6.919 32.766) 33.488 1.532 ( 0.000 56.542 18.931) 59.627 4.569 ( -0.000 4.513 -0.088) 4.514 5.692 ( -0.000 56.322 -46.014) 72.728 11.172 ( 0.000 -90.553 87.364) 125.827 13.418 ( 0.000 -18.047 -0.546) 18.055 13.923 ( -0.000 2.634 -0.136) 2.637 14.165 ( 0.000 7.639 5.235) 9.261 14.851 ( -0.000 -1.867 -0.406) 1.911 15.259 ( 0.000 1.302 5.671) 5.818 17.898 ( -0.000 15.560 -21.467) 26.513 ======================= Grid point 408 (120/670) ======================= q-point: ( 0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 14.528 12.972 24.808) 31.540 1.194 ( 15.149 16.386 19.593) 29.697 2.428 ( 28.421 55.416 9.301) 62.970 4.646 ( 2.665 7.272 -0.729) 7.779 6.243 ( 22.288 31.030 -29.092) 48.021 10.540 ( -20.764 -36.479 53.642) 68.112 13.211 ( -3.882 -14.378 -0.655) 14.907 13.974 ( 0.559 5.720 -2.019) 6.091 14.149 ( -6.660 7.235 -2.764) 10.215 14.859 ( 2.407 -3.444 0.068) 4.202 15.316 ( 1.229 2.044 8.200) 8.540 17.951 ( 1.524 -0.155 -11.467) 11.569 ======================= Grid point 409 (121/670) ======================= q-point: ( 0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 24.867 15.088 23.008) 37.086 1.775 ( 24.589 23.127 12.221) 35.900 3.584 ( 39.979 49.862 3.642) 64.014 4.797 ( 4.992 10.122 -1.754) 11.421 6.805 ( 23.059 20.236 -15.508) 34.376 10.147 ( -14.368 -16.112 29.905) 36.883 13.016 ( -3.502 -11.309 1.272) 11.907 14.023 ( -3.388 10.749 -2.580) 11.561 14.100 ( -0.816 0.745 -9.884) 9.946 14.856 ( 1.909 -4.573 0.569) 4.988 15.378 ( -0.399 1.075 9.457) 9.526 17.850 ( -5.338 -5.846 -7.603) 10.976 ======================= Grid point 410 (122/670) ======================= q-point: ( 0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 27.481 18.164 14.346) 35.929 2.614 ( 36.392 26.978 12.154) 46.903 4.778 ( 39.918 39.728 -0.777) 56.324 5.012 ( 9.381 18.012 -2.049) 20.411 7.329 ( 22.283 15.339 -8.188) 28.264 9.905 ( -9.968 -8.925 16.116) 20.946 12.880 ( -1.868 -8.726 3.854) 9.720 14.040 ( -2.015 2.792 -7.126) 7.915 14.074 ( -0.557 6.650 -9.740) 11.807 14.841 ( 1.066 -4.492 1.378) 4.818 15.381 ( -3.190 -1.561 8.411) 9.130 17.599 ( -11.799 -8.681 -7.000) 16.235 ======================= Grid point 411 (123/670) ======================= q-point: ( 0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 31.324 18.070 7.602) 36.953 3.604 ( 39.307 29.193 11.062) 50.196 5.164 ( 4.819 13.231 -4.703) 14.846 6.024 ( 43.937 41.738 -1.818) 60.629 7.818 ( 21.360 12.062 -4.878) 25.010 9.733 ( -7.033 -5.620 7.944) 12.006 12.805 ( -0.344 -6.707 7.033) 9.725 13.974 ( -0.468 -2.135 -16.561) 16.705 14.119 ( -0.674 8.046 -1.731) 8.258 14.807 ( -1.082 -4.013 1.665) 4.477 15.300 ( -6.280 -3.319 5.540) 9.009 17.230 ( -16.485 -10.073 -7.083) 20.576 ======================= Grid point 412 (124/670) ======================= q-point: ( 0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 32.690 15.917 2.724) 36.461 4.598 ( 36.985 28.608 8.919) 47.601 5.357 ( 3.541 15.112 -4.828) 16.255 7.145 ( 41.500 35.832 -4.632) 55.023 8.272 ( 20.672 9.423 -3.503) 22.987 9.611 ( -4.267 -3.441 3.586) 6.550 12.784 ( 0.809 -4.992 10.448) 11.608 13.853 ( -2.209 -4.335 -17.725) 18.381 14.197 ( 1.926 5.534 0.969) 5.939 14.717 ( -4.172 -7.149 0.788) 8.315 15.151 ( -9.863 -0.163 1.290) 9.948 16.799 ( -18.149 -9.908 -6.214) 21.591 ======================= Grid point 413 (125/670) ======================= q-point: ( 0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.468 ( 31.315 12.371 -0.609) 33.675 5.474 ( 26.464 20.359 7.357) 34.190 5.569 ( 7.102 21.560 -4.881) 23.219 8.102 ( 34.275 27.527 -8.550) 44.784 8.693 ( 19.621 6.873 -2.201) 20.906 9.556 ( -0.118 -1.085 2.493) 2.721 12.809 ( 1.501 -3.359 12.661) 13.184 13.684 ( -3.201 -7.144 -14.293) 16.297 14.299 ( 3.455 4.110 2.285) 5.835 14.507 ( -7.040 -14.738 -2.250) 16.487 14.985 ( -13.528 8.363 -2.514) 16.102 16.385 ( -16.396 -8.175 -3.734) 18.698 ======================= Grid point 414 (126/670) ======================= q-point: ( 0.47 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.068 ( 26.611 7.415 -2.319) 27.722 5.740 ( 2.099 15.416 -1.541) 15.635 6.197 ( 20.612 21.233 2.875) 29.732 8.771 ( 21.925 15.331 -11.712) 29.205 9.037 ( 13.589 4.168 -2.669) 14.462 9.647 ( 9.206 2.693 4.889) 10.766 12.846 ( 0.305 -2.391 9.309) 9.616 13.518 ( -1.716 -8.733 -4.525) 9.985 14.185 ( -6.154 -18.690 -7.957) 21.225 14.419 ( 2.840 5.125 3.992) 7.089 14.831 ( -15.520 13.434 -4.173) 20.947 16.059 ( -12.443 -5.042 -0.549) 13.436 ======================= Grid point 415 (127/670) ======================= q-point: ( 0.53 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.487 ( 17.221 0.826 -2.555) 17.429 5.897 ( -1.081 14.590 -1.508) 14.707 6.640 ( 9.078 13.565 1.700) 16.411 9.048 ( 5.810 1.393 -4.921) 7.740 9.280 ( 12.748 5.808 -10.097) 17.269 9.897 ( 10.619 1.392 6.767) 12.669 12.805 ( -3.924 -2.736 -2.557) 5.424 13.427 ( 0.900 -10.715 7.206) 12.944 13.941 ( 2.342 -12.841 -6.348) 14.515 14.531 ( 1.799 5.044 3.750) 6.538 14.692 ( -14.802 15.649 -3.898) 21.890 15.859 ( -7.377 -0.914 2.029) 7.706 ======================= Grid point 416 (128/670) ======================= q-point: (-0.42 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.639 ( 4.426 -6.281 -2.109) 7.968 5.964 ( -6.246 11.850 -1.606) 13.492 6.784 ( -4.104 5.389 0.878) 6.830 9.087 ( 1.873 -1.091 -2.533) 3.334 9.454 ( 7.013 0.808 -10.127) 12.345 9.992 ( -1.635 -5.642 6.951) 9.101 12.654 ( -6.527 -2.241 -11.417) 13.340 13.386 ( 6.956 -12.912 5.123) 15.535 13.995 ( 11.602 -3.643 5.515) 13.353 14.525 ( -7.650 4.675 -2.393) 9.279 14.692 ( -4.499 17.142 2.805) 17.943 15.809 ( -0.751 3.169 4.001) 5.159 ======================= Grid point 417 (129/670) ======================= q-point: (-0.37 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.497 ( -8.720 -13.279 -1.962) 16.006 5.904 ( -11.709 9.143 -1.117) 14.898 6.611 ( -17.896 -2.024 0.157) 18.011 9.077 ( -0.508 -3.040 -2.431) 3.926 9.469 ( 1.017 -2.680 -7.706) 8.222 9.757 ( -17.939 -12.764 6.213) 22.876 12.490 ( -4.241 -0.827 -13.515) 14.189 13.487 ( 15.884 -9.759 3.383) 18.947 14.227 ( 11.760 0.308 8.894) 14.748 14.433 ( -5.372 2.542 -0.905) 6.011 14.810 ( -4.135 18.136 2.922) 18.829 15.929 ( 6.920 6.339 5.884) 11.077 ======================= Grid point 418 (130/670) ======================= q-point: (-0.32 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.069 ( -21.099 -18.026 -2.259) 27.843 5.739 ( -15.825 4.171 -1.695) 16.453 6.153 ( -28.751 -5.513 0.577) 29.280 8.943 ( -8.145 -7.751 -3.537) 11.787 9.177 ( -32.777 -17.627 2.911) 37.330 9.444 ( 1.682 -1.164 -2.726) 3.408 12.403 ( -0.095 0.587 -11.921) 11.935 13.737 ( 19.852 -6.372 2.990) 21.063 14.312 ( -4.706 2.678 -1.525) 5.625 14.511 ( 10.458 -1.710 10.035) 14.595 14.925 ( -4.093 17.252 1.871) 17.830 16.209 ( 13.374 8.579 7.252) 17.465 ======================= Grid point 419 (131/670) ======================= q-point: (-0.26 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( -30.209 -19.825 -3.293) 36.283 5.241 ( -36.308 -13.961 -5.811) 39.332 5.728 ( -18.770 5.607 4.316) 20.060 8.317 ( -45.357 -19.740 2.663) 49.538 8.638 ( -13.852 -10.580 -4.759) 18.068 9.481 ( 3.371 0.263 -1.066) 3.545 12.404 ( 3.391 1.558 -9.500) 10.207 14.031 ( 17.775 -4.179 2.993) 18.503 14.245 ( -3.740 0.999 -0.559) 3.911 14.675 ( 5.026 -0.486 6.869) 8.525 15.032 ( -1.032 11.924 1.764) 12.098 16.596 ( 17.074 9.687 7.198) 20.909 ======================= Grid point 420 (132/670) ======================= q-point: (-0.21 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( -36.097 -19.250 -4.772) 41.186 4.324 ( -45.399 -19.004 -6.078) 49.590 5.517 ( -15.553 5.225 4.035) 16.896 7.260 ( -54.121 -20.360 1.703) 57.849 8.245 ( -16.954 -10.446 -4.534) 20.424 9.543 ( 3.245 0.549 -0.112) 3.293 12.472 ( 5.888 2.116 -7.252) 9.578 14.162 ( -0.704 -2.349 1.197) 2.729 14.312 ( 9.704 1.891 3.191) 10.389 14.725 ( 0.705 -1.594 1.938) 2.607 15.136 ( 1.563 5.778 2.326) 6.421 17.022 ( 17.815 9.186 5.620) 20.817 ======================= Grid point 421 (133/670) ======================= q-point: (-0.16 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -39.177 -16.479 -5.685) 42.880 3.306 ( -46.378 -19.360 -5.069) 50.511 5.304 ( -15.257 2.431 3.007) 15.739 6.076 ( -59.958 -19.505 1.260) 63.063 7.821 ( -18.625 -8.981 -4.429) 21.146 9.599 ( 2.531 0.480 0.824) 2.704 12.590 ( 7.822 2.516 -5.258) 9.754 14.126 ( -2.335 0.452 1.435) 2.778 14.461 ( 1.979 1.457 5.720) 6.226 14.721 ( 3.594 -3.878 -2.830) 5.997 15.208 ( 1.045 2.196 2.198) 3.279 17.417 ( 16.017 7.217 3.065) 17.833 ======================= Grid point 422 (134/670) ======================= q-point: (-0.11 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -39.408 -12.361 -4.152) 41.510 2.346 ( -41.812 -15.104 -2.195) 44.511 4.820 ( -63.064 -17.218 1.888) 65.400 5.070 ( -14.949 -0.179 1.062) 14.988 7.397 ( -19.217 -6.398 -5.119) 20.891 9.648 ( 1.997 0.283 3.524) 4.060 12.753 ( 9.851 2.936 -3.430) 10.836 14.101 ( -3.747 3.684 1.242) 5.400 14.440 ( -2.558 -6.199 4.307) 7.970 14.770 ( 4.701 -0.053 -3.490) 5.855 15.236 ( -0.192 0.542 2.621) 2.683 17.731 ( 12.651 4.560 0.249) 13.450 ======================= Grid point 423 (135/670) ======================= q-point: (-0.05 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -34.742 -7.027 4.126) 35.685 1.576 ( -34.833 -5.785 2.116) 35.374 3.557 ( -65.713 -12.687 2.425) 66.971 4.834 ( -11.832 -1.225 0.274) 11.898 6.995 ( -19.106 -2.663 -9.450) 21.481 9.720 ( 3.446 0.240 12.927) 13.380 12.964 ( 12.219 3.052 -1.809) 12.723 14.069 ( -5.842 5.273 0.243) 7.873 14.321 ( -2.129 -10.724 1.172) 10.996 14.826 ( 1.879 1.839 -2.491) 3.622 15.241 ( -0.896 0.137 4.080) 4.179 17.946 ( 8.779 2.168 -2.466) 9.373 ======================= Grid point 427 (136/670) ======================= q-point: ( 0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 11.732 28.286) 30.623 1.271 ( 0.000 27.855 12.530) 30.543 2.831 ( 0.000 61.888 9.105) 62.554 4.698 ( -0.000 8.508 -0.382) 8.517 6.292 ( -0.000 35.084 -24.159) 42.597 10.511 ( 0.000 -36.410 43.568) 56.779 13.084 ( -0.000 -14.903 -2.580) 15.125 13.992 ( 0.000 4.045 0.483) 4.074 14.316 ( -0.000 5.778 -2.882) 6.457 14.801 ( -0.000 -2.467 -0.935) 2.639 15.355 ( 0.000 2.173 9.634) 9.876 17.888 ( -0.000 -1.045 -10.964) 11.014 ======================= Grid point 428 (137/670) ======================= q-point: ( 0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 12.962 19.252 23.000) 32.675 1.742 ( 13.476 27.943 11.600) 33.121 3.648 ( 18.992 60.211 4.937) 63.328 4.826 ( 3.751 11.177 -1.053) 11.836 6.661 ( 12.911 27.803 -16.439) 34.785 10.266 ( -8.131 -22.986 29.711) 38.434 12.922 ( -0.752 -13.399 -1.798) 13.540 14.039 ( 0.269 3.205 -3.333) 4.631 14.289 ( -6.621 8.367 -2.916) 11.061 14.768 ( 0.629 -4.803 -1.751) 5.151 15.426 ( 0.732 1.047 10.651) 10.727 17.815 ( -1.364 -5.551 -8.604) 10.330 ======================= Grid point 429 (138/670) ======================= q-point: ( 0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 21.172 20.519 15.346) 33.238 2.411 ( 25.324 32.374 11.918) 42.796 4.659 ( 27.989 54.069 0.347) 60.885 5.042 ( 7.185 16.336 -1.782) 17.935 7.118 ( 17.327 20.495 -10.557) 28.840 10.025 ( -8.770 -13.933 18.432) 24.714 12.792 ( 0.572 -11.371 0.258) 11.388 14.009 ( -2.068 0.295 -10.546) 10.751 14.279 ( -7.009 12.810 -0.227) 14.604 14.737 ( 3.724 -6.775 -0.755) 7.767 15.449 ( -2.409 -1.686 9.455) 9.902 17.645 ( -6.719 -8.809 -7.423) 13.336 ======================= Grid point 430 (139/670) ======================= q-point: ( 0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 24.523 20.179 7.548) 32.643 3.322 ( 34.279 34.380 12.386) 50.104 5.231 ( 4.942 19.534 -5.163) 20.800 5.800 ( 34.165 48.697 -0.983) 59.494 7.574 ( 18.698 14.682 -7.145) 24.823 9.825 ( -7.542 -8.851 10.403) 15.603 12.720 ( 2.408 -9.531 3.096) 10.307 13.918 ( -2.396 -1.293 -13.999) 14.261 14.273 ( -6.443 9.765 -0.382) 11.705 14.754 ( 3.471 -4.137 1.736) 5.672 15.383 ( -5.040 -3.828 6.286) 8.921 17.354 ( -12.389 -10.361 -7.034) 17.616 ======================= Grid point 431 (140/670) ======================= q-point: ( 0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 27.698 17.804 2.191) 32.999 4.318 ( 35.344 33.521 10.816) 49.899 5.477 ( 2.691 21.883 -6.104) 22.877 6.859 ( 35.332 42.685 -3.776) 55.539 8.000 ( 19.145 9.964 -5.594) 22.296 9.669 ( -5.522 -5.544 5.423) 9.520 12.706 ( 3.987 -7.930 6.333) 10.903 13.787 ( -3.167 -4.378 -15.473) 16.389 14.270 ( -2.689 6.266 1.194) 6.922 14.734 ( -3.434 -4.760 2.560) 6.404 15.278 ( -4.996 -0.771 1.635) 5.313 16.975 ( -16.031 -10.260 -6.211) 20.021 ======================= Grid point 432 (141/670) ======================= q-point: ( 0.42 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.061 ( 28.941 13.691 -1.493) 32.051 5.248 ( 30.355 28.835 8.623) 42.746 5.728 ( 2.019 26.114 -6.121) 26.898 7.808 ( 31.711 33.672 -6.894) 46.765 8.393 ( 19.743 5.642 -4.561) 21.034 9.572 ( -2.588 -2.778 3.222) 4.980 12.743 ( 4.975 -6.355 8.787) 11.931 13.607 ( -3.518 -8.572 -12.776) 15.782 14.318 ( 0.306 5.075 2.116) 5.507 14.536 ( -10.235 -10.164 0.118) 14.424 15.222 ( -5.834 7.074 -2.008) 9.387 16.574 ( -16.380 -8.497 -4.063) 18.895 ======================= Grid point 433 (142/670) ======================= q-point: ( 0.47 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.657 ( 27.709 8.521 -3.356) 29.184 5.860 ( 7.211 19.890 0.318) 21.159 6.136 ( 15.487 31.094 0.673) 34.744 8.523 ( 21.842 20.865 -11.572) 32.347 8.766 ( 20.219 2.554 -2.343) 20.514 9.568 ( 3.120 0.055 3.547) 4.724 12.800 ( 4.024 -5.369 6.513) 9.351 13.429 ( -1.191 -10.867 -2.859) 11.300 14.154 ( -12.499 -13.508 -6.730) 19.596 14.453 ( 1.974 6.405 3.798) 7.704 15.170 ( -10.147 11.678 -4.132) 16.013 16.234 ( -13.572 -5.067 -0.826) 14.511 ======================= Grid point 434 (143/670) ======================= q-point: ( 0.53 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.140 ( 22.612 2.472 -3.569) 23.025 6.092 ( -1.193 20.635 -2.404) 20.808 6.660 ( 10.362 22.830 2.281) 25.175 8.887 ( 12.026 3.895 -9.188) 15.627 9.082 ( 13.290 4.144 -6.199) 15.239 9.724 ( 11.374 0.432 5.233) 12.527 12.786 ( 0.144 -6.202 -3.822) 7.287 13.349 ( 0.160 -10.899 13.312) 17.206 13.804 ( -5.532 -11.462 -10.806) 16.696 14.578 ( 1.826 7.535 3.862) 8.662 15.075 ( -13.014 14.090 -4.764) 19.763 16.009 ( -9.472 -0.462 1.936) 9.679 ======================= Grid point 435 (144/670) ======================= q-point: ( 0.58 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.429 ( 12.520 -4.412 -2.889) 13.586 6.220 ( -6.051 19.140 -2.462) 20.224 6.935 ( -1.322 14.598 1.603) 14.745 9.000 ( 5.069 -2.603 -4.771) 7.432 9.278 ( 9.483 1.452 -9.502) 13.503 9.907 ( 7.484 -5.373 6.143) 11.073 12.679 ( -2.800 -4.082 -10.528) 11.634 13.202 ( -3.306 -15.603 5.848) 16.988 13.791 ( 11.279 -2.683 4.569) 12.462 14.655 ( -3.126 5.413 1.906) 6.534 15.013 ( -9.448 17.879 -2.306) 20.353 15.910 ( -4.975 3.586 3.436) 7.030 ======================= Grid point 436 (145/670) ======================= q-point: (-0.37 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.447 ( -0.426 -11.131 -2.146) 11.344 6.238 ( -11.925 16.795 -1.829) 20.679 6.915 ( -13.994 7.157 0.870) 15.742 9.010 ( 2.390 -4.840 -3.933) 6.679 9.357 ( 4.607 -2.554 -9.107) 10.520 9.870 ( -5.602 -11.307 6.991) 14.425 12.530 ( -6.144 -0.455 -12.771) 14.179 13.121 ( 10.968 -14.262 2.048) 18.108 14.045 ( 14.101 0.203 11.231) 18.028 14.592 ( -8.420 3.831 -0.591) 9.270 15.088 ( -4.712 19.376 0.802) 19.957 15.939 ( 1.333 6.026 4.564) 7.675 ======================= Grid point 437 (146/670) ======================= q-point: (-0.32 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.185 ( -12.953 -15.855 -1.753) 20.549 6.120 ( -18.605 12.145 -1.353) 22.259 6.617 ( -25.448 3.285 0.695) 25.668 8.928 ( -2.587 -9.549 -5.324) 11.235 9.344 ( 0.725 -2.967 -9.241) 9.732 9.545 ( -19.367 -13.046 9.367) 25.160 12.397 ( -3.594 0.867 -10.999) 11.604 13.293 ( 20.920 -9.863 0.867) 23.145 14.330 ( 12.518 1.049 10.803) 16.569 14.472 ( -8.136 2.363 -0.253) 8.476 15.193 ( -5.557 17.208 0.784) 18.099 16.117 ( 9.094 7.473 5.696) 13.077 ======================= Grid point 438 (147/670) ======================= q-point: (-0.26 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.691 ( -23.662 -17.221 -1.974) 29.332 5.735 ( -33.015 -3.035 -3.148) 33.303 6.222 ( -25.545 10.848 2.720) 27.886 8.667 ( -12.083 -15.363 -7.484) 20.929 8.908 ( -32.447 -10.254 2.461) 34.118 9.413 ( 3.328 -1.127 0.141) 3.516 12.347 ( 0.627 1.418 -8.196) 8.342 13.609 ( 23.679 -6.395 0.027) 24.528 14.352 ( -6.927 2.277 -0.497) 7.309 14.577 ( 9.680 -0.586 9.843) 13.818 15.235 ( -6.717 12.497 -0.006) 14.188 16.431 ( 15.037 8.121 5.786) 18.043 ======================= Grid point 439 (148/670) ======================= q-point: (-0.21 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -31.882 -15.460 -2.628) 35.529 4.947 ( -45.769 -10.824 -3.636) 47.172 5.950 ( -22.236 11.774 3.196) 25.363 7.968 ( -44.801 -15.272 -1.463) 47.355 8.413 ( -16.833 -8.250 -2.872) 18.965 9.478 ( 4.317 -0.162 0.123) 4.321 12.378 ( 3.996 1.685 -5.707) 7.168 13.944 ( 19.818 -4.207 -0.724) 20.273 14.283 ( -2.658 2.583 0.268) 3.716 14.711 ( 2.868 -1.978 6.730) 7.578 15.228 ( -4.573 6.971 0.224) 8.340 16.816 ( 17.694 7.252 4.401) 19.622 ======================= Grid point 440 (149/670) ======================= q-point: (-0.16 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -37.175 -11.096 -2.724) 38.892 3.980 ( -50.607 -11.037 -2.386) 51.851 5.682 ( -21.100 7.011 2.146) 22.338 6.945 ( -56.574 -11.516 -0.214) 57.734 8.037 ( -17.114 -6.330 -3.686) 18.615 9.551 ( 3.783 0.031 1.018) 3.918 12.470 ( 6.443 1.914 -3.601) 7.625 14.120 ( 4.269 -1.493 -1.273) 4.698 14.385 ( 10.327 3.448 0.918) 10.927 14.679 ( -4.323 -4.535 2.625) 6.793 15.233 ( -0.812 2.463 1.583) 3.038 17.198 ( 17.526 4.958 2.070) 18.331 ======================= Grid point 441 (150/670) ======================= q-point: (-0.11 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -39.786 -4.492 -0.571) 40.043 3.015 ( -48.897 -6.435 0.665) 49.323 5.378 ( -19.387 1.805 0.408) 19.476 5.811 ( -63.098 -7.234 0.220) 63.511 7.668 ( -18.855 -2.424 -3.680) 19.363 9.618 ( 3.187 -0.095 3.099) 4.446 12.609 ( 8.415 2.198 -1.707) 8.863 14.151 ( 1.273 1.641 -2.087) 2.944 14.503 ( -8.780 -4.455 3.674) 10.509 14.620 ( 10.676 0.494 -3.151) 11.142 15.251 ( 0.232 0.140 3.019) 3.031 17.523 ( 15.395 2.007 -0.509) 15.534 ======================= Grid point 442 (151/670) ======================= q-point: (-0.05 0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -39.516 3.943 6.546) 40.248 2.218 ( -41.259 2.197 4.512) 41.563 4.646 ( -65.898 -1.126 0.463) 65.909 5.070 ( -16.405 -0.769 -0.609) 16.434 7.312 ( -20.357 2.265 -5.182) 21.128 9.694 ( 3.988 -0.540 8.682) 9.569 12.790 ( 10.290 2.158 0.009) 10.514 14.188 ( 1.007 3.799 -4.545) 6.009 14.280 ( -8.775 -8.902 0.217) 12.502 14.772 ( 5.462 2.361 -1.817) 6.221 15.268 ( 0.119 -0.502 5.316) 5.341 17.763 ( 12.362 -0.586 -2.718) 12.671 ======================= Grid point 447 (152/670) ======================= q-point: ( 0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.000 22.283 19.113) 29.357 1.987 ( 0.000 35.300 10.261) 36.761 4.124 ( 0.000 62.573 3.825) 62.690 4.897 ( -0.000 11.644 -0.921) 11.680 6.787 ( -0.000 29.174 -13.685) 32.225 10.209 ( 0.000 -21.161 23.928) 31.943 12.783 ( -0.000 -13.025 -2.873) 13.338 14.088 ( 0.000 4.879 1.170) 5.017 14.352 ( -0.000 2.231 -7.766) 8.080 14.742 ( -0.000 -2.599 -1.219) 2.871 15.466 ( 0.000 0.367 11.030) 11.036 17.734 ( -0.000 -6.748 -8.115) 10.554 ======================= Grid point 448 (153/670) ======================= q-point: ( 0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 11.495 26.163 13.955) 31.802 2.490 ( 11.442 38.130 9.878) 41.017 4.876 ( 13.206 59.454 0.534) 60.905 5.070 ( 6.311 14.835 -1.178) 16.164 7.089 ( 7.749 24.976 -10.529) 28.190 10.057 ( -4.411 -15.968 16.997) 23.734 12.656 ( 0.977 -11.570 -2.020) 11.786 14.066 ( -6.059 2.680 -4.598) 8.064 14.419 ( 5.553 6.135 -2.930) 8.778 14.656 ( -4.511 -4.428 -1.537) 6.505 15.495 ( -1.008 -2.202 9.609) 9.909 17.606 ( -2.708 -9.240 -7.294) 12.080 ======================= Grid point 449 (154/670) ======================= q-point: ( 0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 15.871 25.794 7.271) 31.146 3.231 ( 23.889 40.066 11.037) 47.935 5.310 ( 6.923 18.473 -4.075) 20.144 5.804 ( 23.513 54.058 -1.214) 58.962 7.446 ( 11.682 19.158 -8.157) 23.876 9.883 ( -5.820 -11.302 10.860) 16.720 12.578 ( 2.896 -9.998 0.061) 10.409 13.943 ( -6.396 0.536 -9.685) 11.618 14.484 ( -8.423 3.578 -0.541) 9.167 14.625 ( 8.730 0.022 0.898) 8.776 15.444 ( -4.154 -4.847 6.447) 9.072 17.391 ( -7.361 -11.150 -6.777) 14.982 ======================= Grid point 450 (155/670) ======================= q-point: ( 0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 18.791 23.302 1.741) 29.985 4.148 ( 30.278 38.724 10.745) 50.317 5.609 ( 6.211 22.391 -6.009) 24.001 6.744 ( 27.347 46.313 -3.637) 53.907 7.803 ( 13.730 13.714 -6.775) 20.555 9.723 ( -5.336 -7.476 6.445) 11.220 12.558 ( 4.967 -8.679 2.769) 10.376 13.778 ( -6.615 -3.397 -11.935) 14.062 14.385 ( -4.274 1.147 1.455) 4.658 14.751 ( 0.823 1.852 2.668) 3.350 15.336 ( -3.682 -3.245 1.728) 5.203 17.085 ( -11.714 -11.511 -6.054) 17.504 ======================= Grid point 451 (156/670) ======================= q-point: ( 0.42 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( 21.347 18.669 -2.242) 28.448 5.078 ( 29.392 34.256 9.014) 46.029 5.925 ( 4.600 27.480 -6.983) 28.724 7.615 ( 27.702 34.926 -5.347) 44.898 8.137 ( 14.575 9.101 -6.504) 18.373 9.607 ( -3.551 -3.952 4.122) 6.725 12.594 ( 6.675 -7.468 5.149) 11.262 13.557 ( -6.398 -8.882 -10.427) 15.118 14.383 ( -0.282 4.194 2.854) 5.081 14.644 ( -11.094 -6.099 1.195) 12.717 15.320 ( 0.246 5.075 -2.060) 5.483 16.731 ( -13.780 -9.956 -4.363) 17.552 ======================= Grid point 452 (157/670) ======================= q-point: ( 0.47 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( 22.847 12.573 -4.412) 26.449 5.851 ( 19.627 26.453 4.639) 33.264 6.287 ( 6.347 32.933 -4.529) 33.844 8.333 ( 24.420 22.006 -6.888) 33.586 8.433 ( 14.913 3.929 -6.513) 16.741 9.560 ( -0.660 -0.804 3.529) 3.679 12.664 ( 6.534 -6.639 4.378) 10.293 13.333 ( -2.915 -12.196 -3.292) 12.964 14.285 ( -16.609 -8.549 -3.622) 19.028 14.496 ( 2.101 6.234 3.462) 7.434 15.370 ( -2.690 9.121 -4.046) 10.335 16.404 ( -12.674 -6.314 -1.459) 14.235 ======================= Grid point 453 (158/670) ======================= q-point: ( 0.53 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.767 ( 22.176 5.742 -4.711) 23.387 6.290 ( 4.065 23.509 -2.104) 23.950 6.761 ( 9.372 30.344 1.188) 31.781 8.669 ( 12.615 0.852 -7.740) 14.825 8.830 ( 18.455 7.675 -6.506) 21.020 9.602 ( 4.462 -0.099 3.917) 5.938 12.671 ( 1.933 -8.557 -3.508) 9.448 13.253 ( 5.248 -9.755 11.942) 16.289 13.862 ( -17.195 -9.278 -9.417) 21.689 14.639 ( 2.703 9.044 3.953) 10.234 15.359 ( -7.472 10.366 -5.490) 13.908 16.175 ( -9.405 -1.099 1.547) 9.595 ======================= Grid point 454 (159/670) ======================= q-point: ( 0.58 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.120 ( 17.236 -1.532 -3.840) 17.725 6.512 ( -3.526 23.462 -3.371) 23.964 7.132 ( 0.986 22.563 2.074) 22.679 8.815 ( 9.358 -4.311 -6.592) 12.232 9.094 ( 10.659 1.863 -7.176) 12.984 9.718 ( 8.709 -5.213 4.638) 11.160 12.574 ( 1.419 -9.102 -7.439) 11.841 13.255 ( -9.515 -8.940 10.778) 16.930 13.592 ( 6.069 -4.499 -2.911) 8.096 14.767 ( -0.670 8.393 3.362) 9.066 15.309 ( -7.921 12.738 -4.718) 15.725 16.061 ( -6.504 3.350 2.963) 7.893 ======================= Grid point 455 (160/670) ======================= q-point: (-0.37 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.276 ( 7.436 -8.298 -2.694) 11.464 6.616 ( -9.653 22.166 -2.682) 24.325 7.244 ( -10.595 15.036 1.576) 18.461 8.861 ( 5.664 -7.719 -5.629) 11.107 9.212 ( 6.158 -0.941 -7.278) 9.580 9.782 ( 4.728 -11.204 5.668) 13.417 12.515 ( 2.693 -4.328 -8.918) 10.272 12.962 ( -8.842 -9.650 -0.323) 13.092 13.820 ( 16.051 -1.453 10.336) 19.146 14.778 ( -7.180 5.648 1.152) 9.208 15.340 ( -3.733 15.797 -1.624) 16.313 16.032 ( -3.243 5.471 3.307) 7.168 ======================= Grid point 456 (161/670) ======================= q-point: (-0.32 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.187 ( -4.472 -12.547 -1.828) 13.445 6.583 ( -17.448 17.897 -1.454) 25.037 7.092 ( -21.085 10.298 1.039) 23.489 8.809 ( 1.579 -11.707 -5.924) 13.215 9.250 ( 3.341 -1.452 -7.015) 7.904 9.675 ( -6.270 -12.709 6.817) 15.726 12.454 ( -4.793 1.536 -9.773) 10.993 12.887 ( 12.482 -9.828 0.605) 15.899 14.127 ( 15.466 -0.780 10.481) 18.699 14.669 ( -10.272 3.912 -0.022) 10.992 15.440 ( -3.644 14.997 -0.059) 15.433 16.096 ( 3.012 5.968 3.667) 7.624 ======================= Grid point 457 (162/670) ======================= q-point: (-0.26 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -15.650 -13.111 -1.501) 20.471 6.293 ( -30.640 5.324 -1.272) 31.125 6.800 ( -25.162 13.854 1.584) 28.768 8.626 ( -4.464 -14.774 -6.702) 16.826 9.221 ( -7.700 -2.717 -7.611) 11.162 9.408 ( -9.164 -7.564 8.550) 14.639 12.359 ( -3.476 1.971 -6.597) 7.712 13.134 ( 22.965 -5.974 -0.510) 23.735 14.403 ( 13.174 -1.264 8.283) 15.613 14.523 ( -9.873 2.594 0.020) 10.208 15.478 ( -7.148 10.842 -0.185) 12.988 16.291 ( 10.902 5.877 3.688) 12.923 ======================= Grid point 458 (163/670) ======================= q-point: (-0.21 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.392 ( -25.244 -10.397 -1.622) 27.349 5.644 ( -43.247 -3.072 -1.217) 43.373 6.508 ( -25.897 13.042 1.732) 29.047 8.310 ( -14.453 -12.915 -5.808) 20.234 8.771 ( -29.717 -4.661 -0.610) 30.086 9.399 ( 4.159 -0.864 1.502) 4.505 12.335 ( 0.685 1.907 -3.716) 4.233 13.507 ( 24.714 -3.047 -1.508) 24.947 14.394 ( -7.195 1.835 0.196) 7.428 14.608 ( 9.079 -2.510 5.738) 11.030 15.418 ( -8.842 6.077 -0.273) 10.733 16.594 ( 15.994 4.442 2.488) 16.785 ======================= Grid point 459 (164/670) ======================= q-point: (-0.16 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.803 ( -32.519 -5.236 -1.423) 32.969 4.788 ( -50.452 -3.142 0.266) 50.550 6.160 ( -25.573 5.491 0.277) 26.158 7.727 ( -41.508 -5.871 -2.225) 41.980 8.284 ( -19.820 -2.514 -2.164) 20.096 9.480 ( 4.704 -0.185 1.221) 4.863 12.387 ( 4.039 2.043 -1.380) 4.732 13.876 ( 19.854 -1.057 -2.918) 20.095 14.331 ( -1.196 1.361 0.508) 1.882 14.692 ( 1.651 -3.420 3.122) 4.917 15.320 ( -6.395 2.213 0.289) 6.773 16.928 ( 17.920 1.687 0.369) 18.003 ======================= Grid point 460 (165/670) ======================= q-point: (-0.11 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -36.548 1.667 0.373) 36.588 3.889 ( -52.359 2.076 3.379) 52.509 5.749 ( -23.194 -1.777 -1.782) 23.330 6.822 ( -57.004 0.145 -0.861) 57.010 7.966 ( -17.212 1.814 -2.135) 17.438 9.561 ( 4.203 -0.238 2.199) 4.750 12.500 ( 6.458 2.324 0.659) 6.895 14.089 ( 6.554 0.443 -4.229) 7.812 14.409 ( 8.593 -2.021 -2.331) 9.130 14.634 ( -4.799 -0.729 3.265) 5.850 15.263 ( -1.525 -0.467 1.401) 2.123 17.234 ( 17.527 -1.551 -1.991) 17.708 ======================= Grid point 461 (166/670) ======================= q-point: (-0.05 0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -37.359 9.107 5.079) 38.787 3.091 ( -48.573 10.589 7.184) 50.230 5.332 ( -19.751 -4.424 -3.464) 20.535 5.809 ( -62.259 6.373 -0.034) 62.584 7.686 ( -19.219 6.256 -2.265) 20.338 9.641 ( 4.280 -0.813 5.051) 6.670 12.656 ( 8.167 2.253 2.452) 8.820 14.139 ( 1.940 -0.661 -3.997) 4.492 14.356 ( -5.578 -5.402 -7.288) 10.650 14.700 ( 5.792 4.189 3.067) 7.778 15.261 ( 1.222 -1.628 3.661) 4.189 17.482 ( 15.809 -4.275 -3.927) 16.841 ======================= Grid point 467 (167/670) ======================= q-point: ( 0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.000 31.555 10.989) 33.414 2.826 ( 0.000 41.445 7.829) 42.178 5.140 ( -0.000 13.283 -1.161) 13.334 5.376 ( -0.000 61.217 -0.290) 61.218 7.243 ( -0.000 25.076 -9.467) 26.803 9.997 ( 0.000 -14.681 13.554) 19.981 12.526 ( -0.000 -10.564 -2.412) 10.835 14.201 ( 0.000 5.062 2.195) 5.518 14.304 ( -0.000 -0.444 -8.830) 8.842 14.680 ( -0.000 -2.443 -1.667) 2.957 15.513 ( 0.000 -3.321 8.401) 9.034 17.505 ( -0.000 -10.505 -6.742) 12.483 ======================= Grid point 468 (168/670) ======================= q-point: ( 0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 6.871 32.702 6.687) 34.079 3.378 ( 11.739 43.232 7.720) 45.458 5.333 ( 6.815 14.669 -1.884) 16.284 6.066 ( 10.527 57.670 -2.448) 58.674 7.487 ( 4.377 22.001 -8.295) 23.917 9.880 ( -2.865 -11.869 9.639) 15.556 12.435 ( 1.872 -9.215 -1.280) 9.490 14.073 ( -10.310 1.574 -5.836) 11.951 14.438 ( 8.159 -3.268 0.339) 8.796 14.627 ( -1.424 3.308 -1.898) 4.071 15.476 ( -2.658 -5.508 5.578) 8.277 17.340 ( -3.254 -12.188 -6.267) 14.085 ======================= Grid point 469 (169/670) ======================= q-point: ( 0.37 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 9.189 30.238 1.689) 31.649 4.137 ( 21.943 42.311 8.386) 48.395 5.641 ( 10.786 17.955 -3.809) 21.289 6.827 ( 16.203 49.009 -4.636) 51.826 7.760 ( 7.058 18.585 -7.114) 21.115 9.748 ( -3.856 -8.458 6.352) 11.259 12.400 ( 4.098 -8.067 0.723) 9.077 13.862 ( -10.816 -2.580 -8.160) 13.792 14.419 ( -0.977 -4.711 2.466) 5.407 14.758 ( 4.983 7.131 0.194) 8.701 15.364 ( -4.132 -5.792 1.526) 7.277 17.101 ( -6.997 -13.055 -5.715) 15.876 ======================= Grid point 470 (170/670) ======================= q-point: ( 0.42 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 11.147 25.477 -2.371) 27.910 4.992 ( 25.730 37.738 7.709) 46.321 6.022 ( 11.331 23.268 -5.798) 26.522 7.526 ( 18.467 32.936 -5.401) 38.144 8.048 ( 8.418 17.827 -6.891) 20.884 9.640 ( -3.153 -4.447 4.398) 7.004 12.421 ( 6.316 -7.097 2.787) 9.900 13.584 ( -10.921 -8.747 -7.250) 15.759 14.413 ( 1.339 1.401 3.312) 3.837 14.783 ( -7.891 -1.604 0.677) 8.081 15.314 ( 2.825 1.858 -2.524) 4.219 16.808 ( -9.600 -12.094 -4.483) 16.079 ======================= Grid point 471 (171/670) ======================= q-point: ( 0.47 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 13.319 18.790 -4.867) 23.540 5.786 ( 22.577 30.544 4.891) 38.296 6.450 ( 10.361 29.533 -5.649) 31.804 8.052 ( 19.017 10.212 -3.090) 21.805 8.354 ( 8.446 20.055 -9.219) 23.633 9.589 ( -1.726 -0.428 3.550) 3.970 12.491 ( 7.548 -6.047 3.292) 10.216 13.284 ( -7.873 -13.038 -2.952) 15.514 14.482 ( -9.218 -1.647 0.093) 9.364 14.536 ( -3.874 1.533 0.907) 4.264 15.420 ( 3.679 6.355 -4.133) 8.427 16.518 ( -9.675 -8.687 -2.128) 13.175 ======================= Grid point 472 (172/670) ======================= q-point: ( 0.53 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( 15.322 11.104 -5.441) 19.689 6.380 ( 12.904 24.981 -0.543) 28.122 6.923 ( 9.557 32.092 -1.660) 33.526 8.376 ( 16.163 -2.777 -2.055) 16.528 8.650 ( 10.195 13.090 -9.675) 19.207 9.587 ( -0.507 0.542 2.999) 3.090 12.542 ( 3.164 -6.610 -1.642) 7.510 13.097 ( 2.692 -12.407 7.067) 14.530 14.091 ( -20.359 -6.382 -6.301) 22.247 14.687 ( 4.357 9.461 4.070) 11.183 15.493 ( -0.840 6.373 -5.838) 8.684 16.307 ( -7.340 -3.100 0.809) 8.009 ======================= Grid point 473 (173/670) ======================= q-point: ( 0.58 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.820 ( 15.289 3.218 -4.542) 16.271 6.750 ( 3.154 24.434 -3.678) 24.910 7.352 ( 3.989 27.639 1.429) 27.962 8.558 ( 11.677 -6.297 -3.892) 13.826 8.887 ( 11.642 2.963 -7.210) 14.011 9.591 ( 1.587 -4.221 3.018) 5.426 12.449 ( -0.970 -8.991 -5.355) 10.510 13.198 ( 12.455 -7.053 15.454) 21.064 13.646 ( -19.632 -5.007 -9.650) 22.442 14.864 ( 2.042 10.116 4.114) 11.110 15.489 ( -3.600 7.017 -6.149) 10.000 16.204 ( -5.244 1.994 2.438) 6.117 ======================= Grid point 474 (174/670) ======================= q-point: ( 0.63 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.035 ( 11.036 -3.808 -3.164) 12.095 6.967 ( -4.559 24.413 -3.555) 25.088 7.583 ( -6.611 20.725 2.056) 21.851 8.631 ( 7.880 -9.415 -5.103) 13.296 9.056 ( 9.183 -0.328 -5.870) 10.904 9.584 ( 5.103 -11.167 4.083) 12.938 12.357 ( 3.090 -7.375 -4.626) 9.238 13.157 ( -18.384 -3.873 -1.091) 18.819 13.541 ( 16.657 -3.536 6.904) 18.375 14.952 ( -4.314 7.462 2.686) 9.028 15.505 ( -1.346 9.944 -3.896) 10.765 16.164 ( -4.428 4.306 2.525) 6.672 ======================= Grid point 475 (175/670) ======================= q-point: (-0.32 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( 2.752 -8.055 -2.052) 8.756 7.041 ( -12.996 21.224 -2.110) 24.976 7.556 ( -17.096 15.021 1.628) 22.816 8.604 ( 4.543 -13.436 -5.340) 15.155 9.152 ( 4.792 0.180 -5.707) 7.454 9.571 ( 4.796 -13.179 5.200) 14.958 12.389 ( 8.095 -3.056 -4.208) 9.622 12.822 ( -12.896 -3.185 -3.218) 13.668 13.857 ( 18.134 -2.507 8.721) 20.278 14.889 ( -9.793 4.445 0.912) 10.793 15.599 ( 0.153 10.863 -1.351) 10.948 16.156 ( -2.225 4.342 2.237) 5.368 ======================= Grid point 476 (176/670) ======================= q-point: (-0.26 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.958 ( -7.161 -8.193 -1.507) 10.985 6.863 ( -26.254 9.760 -0.858) 28.023 7.361 ( -22.163 15.224 1.227) 26.916 8.486 ( 0.869 -14.581 -5.142) 15.485 9.196 ( 2.391 1.109 -6.226) 6.761 9.495 ( -3.607 -9.734 6.059) 12.019 12.444 ( -3.702 2.811 -4.421) 6.415 12.741 ( 12.844 -4.847 -0.742) 13.748 14.159 ( 16.067 -2.516 6.088) 17.365 14.737 ( -11.467 2.488 0.429) 11.742 15.669 ( -3.574 7.998 -0.596) 8.780 16.214 ( 4.278 3.330 1.873) 5.735 ======================= Grid point 477 (177/670) ======================= q-point: (-0.21 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( -16.896 -4.829 -1.457) 17.632 6.343 ( -38.205 1.225 -0.164) 38.225 7.081 ( -26.014 9.333 0.322) 27.639 8.332 ( -3.663 -7.273 -3.596) 8.903 9.133 ( -13.423 -0.205 -7.168) 15.218 9.358 ( -1.537 -3.608 6.671) 7.739 12.373 ( -3.883 2.480 -1.457) 4.833 13.051 ( 23.885 -1.640 -1.349) 23.979 14.401 ( 13.114 -3.117 2.757) 13.758 14.564 ( -10.348 1.098 0.572) 10.422 15.620 ( -8.229 3.669 -0.364) 9.018 16.385 ( 11.699 1.435 0.718) 11.809 ======================= Grid point 478 (178/670) ======================= q-point: (-0.16 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( -25.477 0.676 -1.340) 25.521 5.621 ( -45.625 0.935 1.440) 45.658 6.645 ( -27.786 -1.587 -1.752) 27.886 8.169 ( -14.169 3.385 -1.129) 14.611 8.705 ( -28.867 -0.386 -3.758) 29.113 9.403 ( 4.343 -0.304 2.586) 5.064 12.368 ( 0.488 2.431 1.083) 2.706 13.467 ( 24.697 0.530 -2.367) 24.815 14.417 ( -7.064 -0.032 0.561) 7.086 14.566 ( 8.895 -3.562 -0.067) 9.582 15.479 ( -9.493 0.212 0.081) 9.496 16.628 ( 16.059 -1.645 -1.267) 16.193 ======================= Grid point 479 (179/670) ======================= q-point: (-0.11 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( -31.611 7.279 -0.186) 32.439 4.836 ( -49.381 5.961 4.406) 49.935 6.114 ( -25.715 -8.220 -3.648) 27.242 7.738 ( -43.761 7.497 -1.301) 44.418 8.288 ( -17.694 4.697 -1.822) 18.397 9.490 ( 4.585 -0.048 2.030) 5.015 12.441 ( 3.893 2.630 3.338) 5.763 13.856 ( 18.975 1.856 -4.879) 19.680 14.331 ( -1.890 -1.711 0.498) 2.597 14.637 ( 3.411 -2.534 -1.291) 4.441 15.325 ( -6.563 -2.087 0.642) 6.917 16.882 ( 17.815 -4.994 -3.485) 18.827 ======================= Grid point 480 (180/670) ======================= q-point: (-0.05 0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -34.491 13.729 2.816) 37.229 4.099 ( -49.136 13.598 7.860) 51.585 5.602 ( -20.937 -8.569 -4.676) 23.101 6.925 ( -56.708 10.421 -1.940) 57.690 8.073 ( -17.018 9.412 -0.751) 19.462 9.572 ( 4.346 -0.632 2.805) 5.211 12.572 ( 6.047 2.459 5.308) 8.413 14.070 ( 6.096 1.924 -7.195) 9.624 14.299 ( 0.706 -4.801 -4.384) 6.540 14.675 ( 3.440 1.504 2.077) 4.290 15.236 ( -0.737 -3.505 1.526) 3.893 17.111 ( 17.835 -7.660 -5.308) 20.123 ======================= Grid point 487 (181/670) ======================= q-point: ( 0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 0.000 36.531 5.193) 36.899 3.735 ( 0.000 43.882 5.142) 44.182 5.403 ( -0.000 13.702 -0.656) 13.718 6.540 ( -0.000 56.200 -4.016) 56.343 7.643 ( -0.000 22.040 -7.965) 23.435 9.823 ( 0.000 -10.659 7.571) 13.074 12.328 ( -0.000 -8.034 -1.032) 8.100 14.208 ( -0.000 -3.056 -6.804) 7.459 14.313 ( 0.000 3.397 3.760) 5.068 14.624 ( -0.000 -1.102 -2.730) 2.944 15.459 ( 0.000 -6.343 3.409) 7.201 17.217 ( -0.000 -13.487 -5.810) 14.686 ======================= Grid point 488 (182/670) ======================= q-point: ( 0.37 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 2.016 35.421 1.942) 35.531 4.292 ( 11.988 42.497 4.820) 44.418 5.615 ( 8.420 14.854 -0.965) 17.101 7.108 ( 6.036 48.192 -6.285) 48.973 7.857 ( 2.615 22.153 -6.795) 23.319 9.736 ( -1.798 -7.950 5.486) 9.825 12.270 ( 2.235 -7.047 0.237) 7.397 14.015 ( -12.039 -3.627 -5.296) 13.643 14.377 ( 1.435 -3.186 3.797) 5.160 14.697 ( 8.017 4.420 -2.300) 9.439 15.371 ( -3.196 -6.787 0.381) 7.511 17.028 ( -3.084 -14.502 -5.415) 15.784 ======================= Grid point 489 (183/670) ======================= q-point: ( 0.42 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 2.363 31.157 -1.734) 31.295 4.997 ( 19.917 37.400 4.753) 42.639 5.975 ( 14.544 18.294 -2.304) 23.484 7.603 ( 7.393 30.760 -7.514) 32.516 8.133 ( 4.439 25.572 -5.799) 26.594 9.660 ( -1.998 -3.554 4.063) 5.756 12.266 ( 4.638 -6.364 1.801) 8.078 13.699 ( -14.581 -8.875 -4.159) 17.569 14.400 ( 2.477 0.380 3.818) 4.567 14.844 ( 1.645 1.392 -1.166) 2.450 15.266 ( 0.277 -2.679 -2.954) 3.998 16.789 ( -5.455 -14.136 -4.575) 15.828 ======================= Grid point 490 (184/670) ======================= q-point: ( 0.47 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 3.182 24.708 -4.334) 25.287 5.717 ( 21.987 29.461 2.946) 36.879 6.452 ( 17.277 23.460 -3.059) 29.295 7.924 ( 7.881 13.659 -4.917) 16.519 8.437 ( 3.714 23.128 -7.069) 24.468 9.636 ( -1.510 1.745 3.152) 3.907 12.317 ( 7.022 -5.485 2.707) 9.312 13.330 ( -13.394 -12.944 -1.485) 18.686 14.505 ( 4.570 4.412 3.967) 7.489 14.705 ( -12.318 -3.719 -3.175) 13.253 15.349 ( 7.656 3.166 -4.399) 9.380 16.544 ( -5.878 -11.308 -2.732) 13.034 ======================= Grid point 491 (185/670) ======================= q-point: ( 0.53 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.441 ( 5.098 16.918 -5.224) 18.426 6.341 ( 19.077 23.019 -0.606) 29.903 6.995 ( 16.564 27.068 -1.939) 31.794 8.138 ( 9.004 3.005 -1.519) 9.613 8.643 ( 2.589 13.395 -7.651) 15.642 9.643 ( -2.641 3.216 2.072) 4.649 12.405 ( 6.627 -4.023 0.687) 7.783 13.009 ( -6.455 -14.509 3.935) 16.360 14.353 ( -17.990 -4.601 -5.253) 19.298 14.707 ( 5.794 9.229 4.080) 11.635 15.476 ( 5.016 2.470 -5.958) 8.171 16.363 ( -4.033 -5.823 -0.079) 7.084 ======================= Grid point 492 (186/670) ======================= q-point: ( 0.58 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.659 ( 7.512 8.792 -4.507) 12.412 6.831 ( 13.045 21.319 -3.427) 25.227 7.512 ( 11.205 26.904 -0.092) 29.145 8.289 ( 9.992 -4.779 0.109) 11.076 8.756 ( 3.895 4.749 -6.909) 9.244 9.598 ( -4.515 -1.739 1.503) 5.067 12.393 ( -2.449 -5.394 -4.281) 7.309 12.943 ( 10.814 -10.355 11.261) 18.735 13.946 ( -21.528 -2.992 -6.798) 22.774 14.924 ( 5.004 10.627 4.609) 12.618 15.524 ( 1.617 1.665 -6.827) 7.211 16.287 ( -2.201 -0.278 1.690) 2.789 ======================= Grid point 493 (187/670) ======================= q-point: ( 0.63 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.836 ( 8.304 1.592 -3.077) 8.998 7.195 ( 5.219 22.733 -3.961) 23.659 7.866 ( 0.237 21.282 1.518) 21.338 8.392 ( 8.445 -6.941 -1.017) 10.979 8.848 ( 8.836 -2.041 -5.513) 10.613 9.477 ( -3.371 -8.594 2.065) 9.460 12.265 ( -1.981 -5.772 -3.329) 6.951 13.179 ( 17.978 -5.579 11.509) 22.063 13.516 ( -21.713 -1.557 -7.402) 22.993 15.087 ( -0.385 8.526 3.913) 9.389 15.550 ( 2.065 3.736 -5.453) 6.925 16.269 ( -2.458 2.381 1.834) 3.883 ======================= Grid point 494 (188/670) ======================= q-point: (-0.32 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( 5.692 -2.776 -1.866) 6.602 7.417 ( -5.483 22.468 -2.794) 23.296 7.955 ( -8.789 12.576 2.290) 15.513 8.391 ( 1.149 -9.615 -3.126) 10.175 9.001 ( 12.037 -0.944 -4.778) 12.985 9.368 ( 2.653 -12.027 3.553) 12.819 12.224 ( 4.236 -3.443 -1.759) 5.735 13.100 ( -20.601 0.182 -3.792) 20.948 13.519 ( 20.255 -4.092 6.451) 21.648 15.089 ( -7.395 4.178 1.713) 8.665 15.641 ( 3.787 5.974 -2.446) 7.484 16.251 ( -3.268 2.504 1.386) 4.344 ======================= Grid point 495 (189/670) ======================= q-point: (-0.26 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( -0.253 -2.905 -1.293) 3.190 7.362 ( -19.941 10.026 -1.261) 22.356 7.873 ( -18.644 14.813 1.688) 23.872 8.275 ( 4.588 -14.310 -3.042) 15.332 9.144 ( 4.276 3.614 -5.527) 7.867 9.373 ( 7.540 -9.490 4.652) 12.983 12.336 ( 11.199 -0.439 -0.349) 11.213 12.778 ( -15.068 0.832 -2.642) 15.320 13.844 ( 18.903 -3.578 3.566) 19.566 14.957 ( -10.955 1.497 0.815) 11.087 15.741 ( 1.754 4.183 -1.179) 4.686 16.224 ( -1.789 1.129 0.901) 2.299 ======================= Grid point 496 (190/670) ======================= q-point: (-0.21 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.867 ( -8.270 0.609 -1.309) 8.395 6.955 ( -30.783 0.223 -0.525) 30.789 7.563 ( -24.214 -1.370 -0.656) 24.261 8.301 ( 3.264 3.644 -0.244) 4.898 9.200 ( 0.708 4.062 -6.286) 7.518 9.394 ( -0.838 -4.252 4.870) 6.519 12.496 ( -3.807 3.115 2.143) 5.366 12.681 ( 13.267 0.010 -2.150) 13.440 14.118 ( 16.173 -3.743 -0.226) 16.602 14.767 ( -11.760 -0.088 0.829) 11.790 15.746 ( -3.732 0.199 -0.923) 3.850 16.244 ( 4.421 -1.070 -0.068) 4.549 ======================= Grid point 497 (191/670) ======================= q-point: (-0.16 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( -16.888 5.961 -1.479) 17.970 6.355 ( -37.302 -0.434 0.801) 37.313 7.049 ( -26.605 -10.748 -2.399) 28.794 8.393 ( -3.709 12.992 1.615) 13.608 9.111 ( -16.419 4.083 -8.557) 18.960 9.359 ( 1.078 -1.156 6.186) 6.385 12.435 ( -4.291 2.778 3.794) 6.366 13.047 ( 23.921 2.286 -1.551) 24.080 14.325 ( 13.097 -3.930 -3.811) 14.195 14.571 ( -10.251 -1.050 1.088) 10.362 15.620 ( -7.960 -3.445 -0.467) 8.686 16.352 ( 11.069 -4.158 -1.969) 11.987 ======================= Grid point 498 (192/670) ======================= q-point: (-0.11 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( -24.470 11.792 -1.058) 27.184 5.698 ( -41.114 4.466 3.513) 41.505 6.444 ( -26.974 -13.653 -3.849) 30.476 8.400 ( -16.711 16.803 1.849) 23.771 8.701 ( -27.808 3.896 -6.314) 28.781 9.426 ( 3.807 0.403 3.328) 5.073 12.449 ( 0.314 2.867 6.159) 6.801 13.488 ( 23.717 3.523 -3.200) 24.190 14.400 ( -6.153 -1.813 0.303) 6.422 14.475 ( 8.759 -3.374 -5.116) 10.689 15.424 ( -8.404 -6.019 0.074) 10.337 16.514 ( 15.245 -7.334 -4.124) 17.413 ======================= Grid point 499 (193/670) ======================= q-point: (-0.05 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -29.656 17.112 0.647) 34.245 5.069 ( -43.373 12.165 6.871) 45.568 5.856 ( -22.934 -12.179 -4.989) 26.442 7.936 ( -47.339 13.130 -3.934) 49.284 8.447 ( -14.110 11.535 -0.210) 18.226 9.506 ( 3.787 0.015 2.310) 4.436 12.539 ( 3.469 2.565 8.360) 9.407 13.864 ( 16.619 3.468 -8.107) 18.813 14.289 ( -4.231 -2.256 0.685) 4.843 14.575 ( 8.033 -1.389 -4.052) 9.104 15.235 ( -4.839 -7.756 0.366) 9.149 16.693 ( 17.341 -9.679 -5.868) 20.708 ======================= Grid point 507 (194/670) ======================= q-point: ( 0.37 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( -0.000 36.154 1.366) 36.180 4.610 ( 0.000 39.507 2.220) 39.570 5.684 ( -0.000 14.996 0.752) 15.015 7.480 ( -0.000 39.300 -8.659) 40.242 8.055 ( -0.000 26.984 -5.229) 27.486 9.700 ( 0.000 -5.469 4.338) 6.981 12.186 ( 0.000 -6.250 0.856) 6.308 14.079 ( -0.000 -6.176 -3.133) 6.925 14.356 ( 0.000 -2.877 4.038) 4.959 14.627 ( -0.000 4.084 -2.803) 4.954 15.330 ( -0.000 -6.650 -1.627) 6.846 16.883 ( -0.000 -15.605 -5.243) 16.463 ======================= Grid point 508 (195/670) ======================= q-point: ( 0.42 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( -1.723 32.909 -0.833) 32.965 5.085 ( 11.525 32.583 1.425) 34.590 5.933 ( 9.422 17.960 0.991) 20.305 7.780 ( 1.596 24.673 -9.544) 26.503 8.348 ( 1.439 30.356 -4.141) 30.671 9.676 ( -0.718 -0.109 3.357) 3.434 12.151 ( 2.364 -5.913 1.912) 6.649 13.854 ( -13.999 -9.211 -1.718) 16.846 14.364 ( 3.205 -1.701 3.644) 5.143 14.758 ( 8.006 3.405 -2.123) 8.955 15.236 ( -2.057 -4.704 -3.644) 6.296 16.686 ( -2.140 -15.637 -4.795) 16.495 ======================= Grid point 509 (196/670) ======================= q-point: ( 0.47 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.438 ( -3.224 27.277 -3.040) 27.634 5.634 ( 18.612 23.215 0.410) 29.757 6.363 ( 16.452 21.452 0.680) 27.043 7.974 ( 1.925 15.437 -6.998) 17.058 8.616 ( -0.080 22.163 -4.643) 22.644 9.709 ( -1.056 7.114 2.326) 7.559 12.166 ( 5.102 -5.596 2.719) 8.046 13.466 ( -16.792 -12.203 -0.125) 20.758 14.464 ( 6.028 1.986 3.844) 7.420 14.815 ( -3.909 -0.842 -3.366) 5.227 15.217 ( 6.020 0.049 -4.687) 7.629 16.479 ( -2.511 -13.418 -3.412) 14.071 ======================= Grid point 510 (197/670) ======================= q-point: ( 0.53 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( -3.373 20.156 -3.980) 20.821 6.180 ( 21.572 16.623 -1.421) 27.271 6.901 ( 19.932 21.379 0.538) 29.234 8.110 ( 1.765 9.205 -3.283) 9.931 8.747 ( -1.749 11.899 -4.487) 12.837 9.764 ( -3.944 8.851 0.936) 9.735 12.240 ( 7.967 -4.158 2.305) 9.278 13.065 ( -14.360 -13.511 2.343) 19.856 14.535 ( -6.815 -2.937 -2.348) 7.783 14.729 ( 1.035 7.977 1.570) 8.196 15.339 ( 8.479 -0.784 -5.867) 10.341 16.330 ( -0.693 -8.328 -1.050) 8.423 ======================= Grid point 511 (198/670) ======================= q-point: ( 0.58 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.704 ( -1.665 12.488 -3.462) 13.066 6.694 ( 21.129 13.893 -2.893) 25.452 7.458 ( 20.527 18.857 0.360) 27.876 8.188 ( 0.898 2.778 0.033) 2.919 8.783 ( -2.079 5.868 -3.931) 7.363 9.721 ( -8.560 3.131 0.155) 9.115 12.347 ( 4.684 -1.020 -1.995) 5.192 12.772 ( -2.957 -13.577 7.710) 15.891 14.248 ( -18.113 -1.543 -5.615) 19.026 14.939 ( 7.159 10.381 4.749) 13.475 15.422 ( 6.149 -2.712 -6.893) 9.627 16.284 ( 1.298 -2.655 0.766) 3.053 ======================= Grid point 512 (199/670) ======================= q-point: ( 0.63 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.778 ( 1.250 5.511 -2.123) 6.036 7.163 ( 18.296 14.029 -3.156) 23.270 7.960 ( 13.893 16.816 -0.596) 21.821 8.207 ( 4.002 -3.843 2.763) 6.198 8.766 ( -2.342 0.991 -3.486) 4.315 9.544 ( -10.762 -3.705 0.315) 11.387 12.284 ( -6.009 -2.106 -3.484) 7.258 12.839 ( 16.540 -8.046 8.898) 20.432 13.872 ( -21.789 0.161 -5.196) 22.400 15.161 ( 3.701 8.665 4.713) 10.535 15.469 ( 5.759 -1.522 -6.081) 8.513 16.301 ( 0.936 0.280 1.024) 1.415 ======================= Grid point 513 (200/670) ======================= q-point: ( 0.68 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.846 ( 3.545 1.172 -0.915) 3.844 7.578 ( 12.605 16.926 -2.462) 21.247 8.023 ( -4.503 -6.786 0.986) 8.203 8.474 ( 5.067 15.538 2.353) 16.512 8.703 ( 6.418 -9.642 -3.707) 12.161 9.329 ( -7.149 -5.694 0.745) 9.169 12.177 ( -2.215 -1.142 -1.184) 2.759 13.136 ( 20.782 -5.030 4.696) 21.892 13.475 ( -22.663 1.613 -3.245) 22.950 15.226 ( -3.546 2.268 1.604) 4.505 15.577 ( 7.121 2.646 -2.124) 7.888 16.310 ( -1.105 0.538 0.584) 1.361 ======================= Grid point 514 (201/670) ======================= q-point: (-0.26 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( 3.248 0.997 -0.388) 3.420 7.732 ( -15.253 2.969 -0.883) 15.564 7.989 ( 14.101 -2.396 0.218) 14.305 8.330 ( -19.234 1.245 0.736) 19.289 8.985 ( 18.891 4.138 -2.238) 19.468 9.223 ( -0.533 -3.305 1.329) 3.602 12.195 ( 4.712 1.106 0.471) 4.863 13.101 ( -20.029 1.739 -2.219) 20.226 13.474 ( 20.078 -3.346 1.861) 20.440 15.132 ( -7.908 -0.900 0.444) 7.971 15.703 ( 4.776 1.322 -0.586) 4.990 16.275 ( -2.856 -0.771 0.143) 2.962 ======================= Grid point 515 (202/670) ======================= q-point: (-0.21 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.966 ( -0.687 4.471 -0.550) 4.557 7.368 ( -20.927 -8.494 -0.792) 22.599 7.845 ( -17.560 -14.949 -0.797) 23.075 8.338 ( 4.339 17.390 2.364) 18.079 9.211 ( 0.671 5.003 -3.303) 6.032 9.300 ( 10.624 1.269 1.851) 10.859 12.368 ( 12.108 3.079 1.899) 12.637 12.806 ( -15.606 2.583 0.422) 15.824 13.773 ( 18.403 -3.543 -2.645) 18.927 14.956 ( -10.455 -2.208 0.665) 10.706 15.744 ( 1.025 -3.066 -0.926) 3.363 16.210 ( -1.953 -2.807 -0.281) 3.431 ======================= Grid point 516 (203/670) ======================= q-point: (-0.16 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( -7.681 9.512 -1.044) 12.270 6.864 ( -26.048 -9.026 -0.813) 27.579 7.339 ( -22.849 -14.622 -0.682) 27.135 8.576 ( 1.285 17.132 2.607) 17.377 9.257 ( -0.103 5.364 -4.469) 6.982 9.411 ( -1.928 3.606 2.153) 4.621 12.595 ( -6.104 2.556 8.482) 10.758 12.710 ( 15.146 4.934 -3.025) 16.214 14.015 ( 15.733 -3.677 -6.572) 17.443 14.746 ( -11.033 -2.662 1.148) 11.407 15.662 ( -3.694 -7.707 -1.296) 8.644 16.173 ( 3.146 -5.294 -1.400) 6.315 ======================= Grid point 517 (204/670) ======================= q-point: (-0.11 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.876 ( -15.665 14.439 -1.304) 21.344 6.314 ( -28.315 -5.298 0.500) 28.811 6.767 ( -27.140 -12.377 -1.205) 29.853 8.730 ( -3.862 15.965 2.331) 16.590 9.170 ( -18.332 8.999 -10.379) 22.908 9.412 ( 0.012 1.940 6.982) 7.246 12.540 ( -4.314 2.862 8.741) 10.159 13.116 ( 22.767 5.734 -1.538) 23.528 14.198 ( 13.284 -3.382 -9.511) 16.684 14.543 ( -9.684 -2.546 1.662) 10.150 15.470 ( -6.549 -11.146 -1.137) 12.977 16.206 ( 9.194 -7.934 -3.268) 12.576 ======================= Grid point 518 (205/670) ======================= q-point: (-0.05 0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.705 ( -22.529 18.591 -0.779) 29.220 5.811 ( -28.331 2.025 3.270) 28.591 6.162 ( -29.078 -8.750 -2.340) 30.456 8.764 ( -33.996 10.912 -8.996) 36.821 8.774 ( -9.884 14.949 1.768) 18.008 9.474 ( 1.644 1.810 4.284) 4.933 12.571 ( 0.050 2.570 11.092) 11.386 13.550 ( 20.908 5.421 -5.092) 22.192 14.344 ( 9.621 -1.091 -8.974) 13.201 14.386 ( -4.617 -2.636 1.442) 5.509 15.227 ( -6.105 -13.578 -1.054) 14.925 16.301 ( 13.645 -9.750 -4.888) 17.468 ======================= Grid point 527 (206/670) ======================= q-point: ( 0.42 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( -0.000 30.249 -0.752) 30.258 5.269 ( -0.000 24.180 -0.354) 24.182 6.049 ( 0.000 21.094 2.303) 21.219 7.946 ( -0.000 18.369 -9.455) 20.660 8.619 ( -0.000 26.556 -3.187) 26.747 9.725 ( 0.000 7.422 2.444) 7.814 12.080 ( 0.000 -6.020 2.542) 6.535 13.914 ( 0.000 -9.058 -0.107) 9.058 14.279 ( 0.000 -6.147 2.201) 6.529 14.721 ( -0.000 5.907 -1.126) 6.013 15.198 ( -0.000 -3.535 -4.523) 5.741 16.525 ( -0.000 -16.072 -4.843) 16.786 ======================= Grid point 528 (207/670) ======================= q-point: ( 0.47 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( -3.898 25.177 -1.675) 25.532 5.562 ( 11.037 15.523 -0.640) 19.058 6.361 ( 9.160 22.334 2.043) 24.226 8.079 ( 0.394 14.128 -7.126) 15.828 8.810 ( -1.252 15.359 -2.610) 15.629 9.846 ( -0.969 15.715 1.183) 15.789 12.051 ( 2.638 -6.338 3.112) 7.537 13.645 ( -16.099 -10.728 0.562) 19.354 14.340 ( 9.413 -3.199 2.410) 10.230 14.811 ( 2.991 3.632 -1.703) 5.003 15.147 ( -0.234 -0.931 -5.038) 5.129 16.347 ( -0.300 -14.389 -3.984) 14.934 ======================= Grid point 529 (208/670) ======================= q-point: ( 0.53 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.884 ( -6.639 18.906 -2.192) 20.157 5.948 ( 18.917 10.088 -1.070) 21.465 6.792 ( 15.437 18.587 1.425) 24.203 8.186 ( 0.054 10.285 -3.706) 10.932 8.875 ( -2.603 7.458 -1.880) 8.120 9.966 ( -4.917 15.540 -0.120) 16.300 12.077 ( 6.235 -5.632 3.134) 8.968 13.235 ( -18.035 -10.848 1.445) 21.096 14.493 ( 7.607 -1.211 1.412) 7.832 14.835 ( -3.025 5.326 -1.542) 6.316 15.165 ( 5.784 -1.840 -5.733) 8.349 16.222 ( 1.670 -9.733 -1.913) 10.059 ======================= Grid point 530 (209/670) ======================= q-point: ( 0.58 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -7.400 12.023 -1.652) 14.214 6.396 ( 23.143 7.172 -1.502) 24.275 7.256 ( 19.587 12.475 0.725) 23.233 8.249 ( -1.474 5.901 -0.422) 6.097 8.875 ( -3.112 4.131 -1.172) 5.304 9.949 ( -10.860 8.214 -0.767) 13.638 12.186 ( 10.131 -2.746 1.774) 10.646 12.846 ( -15.220 -9.791 2.958) 18.338 14.467 ( -9.173 -0.803 -3.555) 9.870 14.936 ( 5.877 9.814 3.636) 12.003 15.228 ( 7.796 -5.246 -6.608) 11.488 16.202 ( 4.034 -4.086 -0.084) 5.742 ======================= Grid point 531 (210/670) ======================= q-point: ( 0.63 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.873 ( -5.570 5.537 -0.400) 7.865 6.867 ( 24.333 5.494 -1.159) 24.972 7.717 ( 22.629 6.387 -0.299) 23.515 8.240 ( -4.214 1.398 1.815) 4.796 8.846 ( -3.798 2.465 -0.296) 4.538 9.762 ( -15.048 1.202 -0.723) 15.113 12.345 ( 3.735 3.267 -4.030) 6.393 12.588 ( -0.572 -10.570 7.866) 13.188 14.210 ( -17.869 1.312 -3.956) 18.349 15.168 ( 6.442 6.761 4.049) 10.178 15.290 ( 8.674 -3.496 -5.144) 10.673 16.254 ( 4.073 -0.986 0.231) 4.197 ======================= Grid point 532 (211/670) ======================= q-point: (-0.32 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( -1.411 1.370 0.762) 2.109 7.323 ( 23.195 2.462 0.292) 23.327 8.109 ( 2.435 1.965 -2.309) 3.889 8.188 ( 14.181 -3.982 2.663) 14.969 8.786 ( -6.309 2.596 1.571) 7.001 9.494 ( -14.489 -0.300 -0.686) 14.509 12.266 ( -7.820 2.340 -1.495) 8.298 12.753 ( 18.920 -5.248 3.431) 19.932 13.873 ( -21.510 2.705 -2.271) 21.798 15.238 ( 2.251 -4.203 -2.077) 5.201 15.468 ( 8.307 5.045 2.127) 9.949 16.302 ( 1.894 -0.662 -0.228) 2.019 ======================= Grid point 533 (212/670) ======================= q-point: (-0.26 -0.58 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.872 ( 3.068 1.192 1.233) 3.515 7.640 ( 13.405 -13.517 2.785) 19.240 8.003 ( -6.863 7.026 -0.608) 9.841 8.416 ( 8.399 -13.963 -2.592) 16.500 8.800 ( 5.018 11.828 4.609) 13.650 9.304 ( -8.093 3.646 -1.428) 8.991 12.204 ( -2.385 3.944 0.860) 4.689 13.050 ( 18.985 -4.336 -2.350) 19.615 13.528 ( -20.776 4.328 1.135) 21.253 15.187 ( -1.621 -5.545 -1.760) 6.039 15.630 ( 4.904 1.892 2.342) 5.754 16.295 ( -1.071 -1.973 -0.677) 2.345 ======================= Grid point 534 (213/670) ======================= q-point: (-0.21 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.977 ( 4.744 4.652 0.926) 6.709 7.472 ( -7.998 -20.658 1.772) 22.223 7.915 ( -8.386 -12.869 -1.128) 15.402 8.445 ( 4.377 11.647 1.499) 12.533 9.109 ( 13.200 3.958 4.646) 14.543 9.279 ( -1.023 10.377 -4.151) 11.223 12.276 ( 4.397 5.989 2.243) 7.761 13.104 ( -11.708 -0.743 -2.415) 11.978 13.448 ( 11.034 1.443 -0.246) 11.130 15.062 ( -5.562 -5.766 -0.706) 8.042 15.682 ( 1.256 -3.607 1.148) 3.988 16.223 ( -3.185 -3.954 -0.872) 5.152 ======================= Grid point 535 (214/670) ======================= q-point: (-0.16 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.112 ( 1.632 9.574 0.144) 9.713 7.068 ( -15.147 -19.340 0.028) 24.566 7.534 ( -16.064 -15.508 -0.201) 22.330 8.693 ( 5.098 14.773 2.284) 15.794 9.263 ( 3.277 2.211 2.597) 4.730 9.458 ( 4.882 12.293 -3.421) 13.662 12.490 ( 11.294 7.375 3.110) 13.843 12.872 ( -13.614 2.124 2.741) 14.048 13.684 ( 15.368 -1.098 -6.483) 16.715 14.884 ( -8.297 -5.236 0.368) 9.818 15.610 ( -2.033 -9.693 -0.456) 9.914 16.115 ( -2.624 -5.864 -1.017) 6.505 ======================= Grid point 536 (215/670) ======================= q-point: (-0.11 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( -5.307 13.933 -0.640) 14.924 6.592 ( -18.300 -16.430 -0.804) 24.606 7.085 ( -20.649 -10.480 0.459) 23.161 8.891 ( 1.575 11.519 1.421) 11.713 9.343 ( 0.176 5.951 -2.185) 6.342 9.568 ( -4.592 10.453 0.439) 11.426 12.713 ( -7.909 1.464 10.807) 13.472 12.836 ( 16.492 9.510 -1.797) 19.122 13.892 ( 13.912 -1.572 -10.151) 17.293 14.686 ( -9.238 -4.053 1.414) 10.187 15.423 ( -4.549 -14.898 -1.718) 15.671 16.029 ( 1.411 -7.426 -1.650) 7.737 ======================= Grid point 537 (216/670) ======================= q-point: (-0.05 0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.194 ( -13.056 17.197 -1.016) 21.616 6.128 ( -18.000 -11.785 -0.657) 21.525 6.621 ( -25.533 -2.724 1.012) 25.697 8.984 ( -2.794 8.362 -0.311) 8.822 9.291 ( -14.344 10.146 -10.668) 20.555 9.571 ( -5.872 8.367 8.120) 13.055 12.670 ( -3.581 1.987 11.740) 12.434 13.247 ( 19.631 8.433 -2.002) 21.460 14.066 ( 13.180 -0.930 -11.851) 17.749 14.506 ( -8.314 -2.434 2.420) 8.995 15.159 ( -5.395 -18.278 -2.458) 19.215 16.014 ( 7.007 -8.426 -2.635) 11.271 ======================= Grid point 547 (217/670) ======================= q-point: ( 0.47 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.024 ( -0.000 19.915 -0.869) 19.934 5.586 ( -0.000 9.720 -0.489) 9.732 6.506 ( 0.000 20.454 1.594) 20.516 8.182 ( -0.000 11.790 -5.164) 12.871 8.926 ( -0.000 7.351 -1.268) 7.460 10.049 ( -0.000 21.011 0.062) 21.011 11.972 ( 0.000 -7.194 3.466) 7.985 13.731 ( 0.000 -8.774 0.677) 8.800 14.171 ( 0.000 -5.512 1.353) 5.675 14.820 ( -0.000 4.371 -0.718) 4.429 15.135 ( -0.000 0.779 -5.066) 5.126 16.192 ( -0.000 -13.184 -3.687) 13.690 ======================= Grid point 548 (218/670) ======================= q-point: ( 0.53 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.148 ( -4.662 13.825 -0.454) 14.597 5.758 ( 11.010 5.773 -0.263) 12.434 6.759 ( 7.954 14.489 0.852) 16.551 8.271 ( -0.110 8.677 -1.979) 8.901 8.960 ( -1.456 3.301 -0.451) 3.636 10.216 ( -4.048 17.377 -0.773) 17.859 11.942 ( 3.456 -6.696 3.475) 8.298 13.462 ( -17.365 -7.359 0.754) 18.875 14.286 ( 13.301 -2.972 1.239) 13.685 14.877 ( 2.102 3.558 -0.898) 4.229 15.110 ( -1.764 0.922 -5.706) 6.043 16.083 ( 2.101 -8.802 -1.943) 9.255 ======================= Grid point 549 (219/670) ======================= q-point: ( 0.58 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.143 ( -7.906 7.434 0.328) 10.857 6.068 ( 19.373 3.147 -0.136) 19.628 7.060 ( 14.128 6.677 0.064) 15.626 8.329 ( -1.124 4.816 1.251) 5.102 8.950 ( -2.311 1.745 0.235) 2.905 10.219 ( -10.108 8.067 -1.164) 12.985 11.999 ( 8.021 -3.892 2.858) 9.362 13.082 ( -18.866 -4.786 0.967) 19.487 14.471 ( 7.218 -0.760 -0.114) 7.259 14.970 ( 3.685 6.663 0.851) 7.661 15.057 ( 0.531 -3.335 -6.550) 7.370 16.082 ( 4.813 -3.149 -0.191) 5.754 ======================= Grid point 550 (220/670) ======================= q-point: (-0.37 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.041 ( -8.649 1.265 1.541) 8.876 6.472 ( 24.166 1.120 0.486) 24.197 7.377 ( 19.198 -0.746 -0.935) 19.235 8.330 ( -3.205 0.959 3.390) 4.762 8.921 ( -2.765 0.801 1.176) 3.110 10.035 ( -14.577 0.385 -1.092) 14.623 12.162 ( 12.324 -0.820 1.311) 12.421 12.744 ( -16.685 -1.556 1.356) 16.813 14.455 ( -8.721 1.725 -2.199) 9.158 15.038 ( 6.171 -7.179 -5.731) 11.066 15.166 ( 8.378 8.586 3.783) 12.578 16.161 ( 5.387 -0.023 -0.003) 5.387 ======================= Grid point 551 (221/670) ======================= q-point: (-0.32 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( -5.673 -2.856 2.663) 6.887 6.904 ( 24.990 -2.438 1.943) 25.184 7.696 ( 22.706 -7.247 -2.064) 23.924 8.261 ( -5.766 -1.533 3.562) 6.949 8.883 ( -2.898 0.315 2.885) 4.102 9.758 ( -15.304 -1.015 -1.069) 15.375 12.403 ( 13.795 2.740 -2.692) 14.319 12.497 ( -11.091 -0.334 3.639) 11.677 14.237 ( -17.380 3.403 -1.517) 17.774 15.061 ( 7.299 -8.704 -4.776) 12.322 15.413 ( 7.963 7.296 5.078) 11.934 16.244 ( 3.668 0.223 -0.652) 3.732 ======================= Grid point 552 (222/670) ======================= q-point: (-0.26 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.840 ( 0.622 -3.121 3.143) 4.473 7.242 ( 19.071 -12.203 3.549) 22.917 7.959 ( 17.522 -17.159 -0.948) 24.543 8.171 ( -2.035 4.503 -0.020) 4.942 8.873 ( -0.384 2.223 5.583) 6.022 9.521 ( -11.711 3.051 -1.706) 12.221 12.357 ( -8.360 6.417 2.012) 10.729 12.687 ( 17.508 -0.990 -3.496) 17.881 13.942 ( -20.559 4.596 0.937) 21.087 15.064 ( 4.977 -9.370 -3.724) 11.245 15.597 ( 4.324 3.548 5.002) 7.504 16.275 ( 0.641 -1.231 -1.240) 1.861 ======================= Grid point 553 (223/670) ======================= q-point: (-0.21 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.905 ( 7.074 0.303 2.780) 7.606 7.287 ( 4.734 -22.515 3.744) 23.310 7.841 ( -1.783 -21.812 -0.619) 21.894 8.394 ( 12.408 10.573 -0.751) 16.319 8.993 ( 7.739 3.757 6.971) 11.073 9.419 ( -5.161 7.821 -3.072) 9.862 12.349 ( -2.605 8.897 3.427) 9.883 12.938 ( 14.792 -2.284 -8.678) 17.301 13.659 ( -18.223 6.342 4.929) 19.915 15.013 ( 1.360 -9.533 -2.622) 9.980 15.659 ( -0.345 -1.866 4.015) 4.441 16.230 ( -2.527 -3.354 -1.439) 4.440 ======================= Grid point 554 (224/670) ======================= q-point: (-0.16 -0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.093 ( 9.496 5.253 1.777) 10.996 7.039 ( -6.353 -23.800 2.452) 24.755 7.546 ( -6.234 -21.057 -1.134) 21.989 8.705 ( 9.537 11.481 1.305) 14.983 9.201 ( 8.059 1.915 6.223) 10.361 9.486 ( 3.590 11.011 -4.203) 12.321 12.470 ( 3.408 10.888 4.280) 12.185 13.017 ( 0.251 -2.863 -9.352) 9.784 13.553 ( -2.647 6.946 4.922) 8.915 14.905 ( -2.160 -8.736 -1.494) 9.123 15.577 ( -4.592 -8.166 2.373) 9.664 16.118 ( -4.440 -5.287 -1.247) 7.015 ======================= Grid point 555 (225/670) ======================= q-point: (-0.11 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.314 ( 6.037 9.481 0.571) 11.254 6.657 ( -11.504 -21.182 0.666) 24.113 7.221 ( -9.458 -15.621 -0.352) 18.265 8.934 ( 4.863 8.162 1.025) 9.556 9.354 ( 4.739 4.373 3.184) 7.192 9.670 ( 4.607 10.132 -2.604) 11.431 12.711 ( 9.145 11.076 5.767) 15.478 12.899 ( -6.718 0.507 -3.821) 7.745 13.675 ( 7.104 4.445 -2.103) 8.640 14.762 ( -4.700 -6.756 -0.223) 8.233 15.364 ( -7.220 -14.439 0.378) 16.148 15.979 ( -3.755 -6.421 -0.892) 7.492 ======================= Grid point 556 (226/670) ======================= q-point: (-0.05 0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.467 ( -1.292 12.205 -0.404) 12.280 6.255 ( -12.968 -15.794 -0.418) 20.440 6.910 ( -12.952 -7.751 0.474) 15.101 9.051 ( 1.441 4.676 -0.153) 4.896 9.456 ( -0.942 6.903 -3.217) 7.673 9.787 ( -2.044 9.217 2.132) 9.679 12.791 ( -4.194 -0.791 5.868) 7.256 13.057 ( 13.505 12.967 0.136) 18.724 13.836 ( 8.856 3.448 -6.632) 11.588 14.616 ( -6.137 -3.899 1.439) 7.412 15.061 ( -7.403 -19.376 -1.692) 20.811 15.873 ( -0.070 -6.667 -0.687) 6.703 ======================= Grid point 567 (227/670) ======================= q-point: ( 0.53 0.53 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.297 ( 0.000 7.302 0.917) 7.360 5.702 ( 0.000 2.718 0.181) 2.724 6.806 ( -0.000 7.683 0.082) 7.684 8.344 ( 0.000 5.748 1.069) 5.846 8.993 ( 0.000 1.307 0.290) 1.339 10.401 ( -0.000 11.272 -1.218) 11.338 11.861 ( 0.000 -5.510 3.396) 6.472 13.605 ( 0.000 -3.629 0.381) 3.649 14.097 ( 0.000 -2.497 1.077) 2.719 14.876 ( -0.000 1.702 -1.019) 1.984 15.130 ( -0.000 2.087 -6.113) 6.459 15.988 ( -0.000 -4.373 -0.411) 4.392 ======================= Grid point 568 (228/670) ======================= q-point: (-0.42 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.301 ( -4.651 0.700 1.972) 5.100 5.817 ( 11.175 0.262 0.529) 11.190 6.904 ( 7.297 -0.604 -0.654) 7.351 8.389 ( -0.593 1.988 4.244) 4.724 8.993 ( -1.214 0.412 0.947) 1.594 10.405 ( -5.853 0.355 -1.480) 6.047 11.872 ( 4.214 -1.737 2.835) 5.368 13.387 ( -17.986 -0.245 0.389) 17.992 14.258 ( 14.366 -0.489 0.793) 14.396 14.909 ( 3.100 -0.059 -1.459) 3.427 15.096 ( -2.890 2.329 -5.929) 6.995 16.002 ( 2.826 1.399 1.197) 3.373 ======================= Grid point 569 (229/670) ======================= q-point: (-0.37 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.175 ( -7.635 -5.640 3.028) 9.963 6.084 ( 19.848 -2.029 1.231) 19.989 7.041 ( 13.996 -7.983 -1.546) 16.187 8.389 ( -1.915 -1.867 6.356) 6.896 8.969 ( -2.048 -0.506 1.913) 2.848 10.216 ( -9.980 -7.557 -1.510) 12.609 11.987 ( 8.105 1.009 1.843) 8.373 13.074 ( -19.296 3.674 0.283) 19.644 14.469 ( 8.001 0.419 -0.150) 8.014 14.906 ( -0.612 -4.320 -5.222) 6.804 15.131 ( 5.373 6.230 0.557) 8.245 16.099 ( 3.712 4.477 1.078) 5.915 ======================= Grid point 570 (230/670) ======================= q-point: (-0.32 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.974 ( -7.078 -10.091 4.032) 12.969 6.442 ( 24.155 -5.935 2.421) 24.991 7.219 ( 19.679 -12.994 -2.361) 23.700 8.331 ( -3.709 -4.814 6.469) 8.875 8.930 ( -2.176 -1.809 3.555) 4.544 9.940 ( -10.795 -8.489 -1.648) 13.831 12.173 ( 11.252 1.070 0.713) 11.326 12.815 ( -17.103 8.050 0.135) 18.903 14.497 ( -7.195 3.257 -0.668) 7.926 14.840 ( 4.015 -7.800 -4.917) 10.056 15.347 ( 9.604 5.726 3.782) 11.804 16.205 ( 2.529 4.654 0.092) 5.297 ======================= Grid point 571 (231/670) ======================= q-point: (-0.26 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( -1.796 -10.703 4.588) 11.783 6.765 ( 22.117 -14.571 3.104) 26.667 7.435 ( 21.907 -16.459 -1.556) 27.445 8.235 ( -3.172 -3.526 4.000) 6.204 8.898 ( -0.448 -2.534 6.008) 6.536 9.695 ( -8.789 -4.279 -2.240) 10.029 12.383 ( 11.949 -1.430 0.685) 12.054 12.663 ( -11.776 13.471 -1.378) 17.945 14.317 ( -16.594 4.848 0.539) 17.296 14.841 ( 6.986 -9.727 -3.866) 12.584 15.556 ( 6.974 2.692 4.709) 8.835 16.267 ( -0.060 3.111 -0.701) 3.189 ======================= Grid point 572 (232/670) ======================= q-point: (-0.21 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( 6.616 -7.396 4.357) 10.837 6.903 ( 14.423 -23.485 2.623) 27.685 7.525 ( 9.943 -25.459 1.058) 27.352 8.290 ( 9.100 6.561 0.198) 11.220 8.933 ( 4.443 -1.879 8.300) 9.600 9.545 ( -5.047 0.420 -3.222) 6.003 12.504 ( 0.809 2.549 5.008) 5.677 12.714 ( 4.309 11.259 -8.308) 14.641 14.065 ( -18.744 5.901 3.562) 19.971 14.835 ( 5.293 -10.493 -3.145) 12.166 15.656 ( 1.612 -1.761 4.564) 5.150 16.254 ( -3.293 0.747 -0.969) 3.513 ======================= Grid point 573 (233/670) ======================= q-point: (-0.16 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.912 ( 13.791 -2.269 3.332) 14.368 6.825 ( 4.253 -25.776 2.644) 26.258 7.333 ( 1.488 -27.546 -0.234) 27.587 8.603 ( 14.316 9.224 0.261) 17.032 9.079 ( 9.820 -1.214 9.041) 13.403 9.507 ( 0.590 3.070 -4.392) 5.391 12.583 ( 0.537 8.423 5.941) 10.321 12.863 ( 6.017 5.803 -13.280) 15.692 13.851 ( -15.356 7.824 8.035) 19.015 14.788 ( 2.707 -10.554 -2.571) 11.195 15.605 ( -4.552 -6.726 3.857) 8.991 16.164 ( -6.035 -1.649 -0.779) 6.305 ======================= Grid point 574 (234/670) ======================= q-point: (-0.11 -0.47 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.186 ( 15.609 2.193 1.859) 15.871 6.576 ( -4.382 -23.934 1.947) 24.409 7.094 ( 1.135 -22.947 -1.118) 23.002 8.895 ( 9.059 6.690 0.783) 11.289 9.280 ( 9.402 0.207 7.737) 12.178 9.604 ( 8.390 3.726 -4.779) 10.349 12.733 ( 4.772 6.050 5.220) 9.308 12.918 ( -0.245 8.163 -14.234) 16.411 13.777 ( -7.203 9.435 9.917) 15.468 14.706 ( 0.649 -9.526 -2.056) 9.767 15.397 ( -10.037 -11.758 2.836) 15.717 16.020 ( -7.069 -3.151 -0.186) 7.741 ======================= Grid point 587 (235/670) ======================= q-point: (-0.42 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.323 ( 0.000 -6.405 3.130) 7.129 5.709 ( 0.000 -2.361 0.745) 2.475 6.790 ( -0.000 -8.850 -1.264) 8.940 8.418 ( 0.000 -1.723 7.392) 7.591 9.009 ( 0.000 -0.407 1.632) 1.682 10.395 ( -0.000 -10.912 -1.881) 11.073 11.848 ( 0.000 2.219 2.325) 3.214 13.606 ( 0.000 3.477 0.505) 3.513 14.095 ( 0.000 1.441 0.818) 1.657 14.872 ( -0.000 -1.160 -1.357) 1.785 15.113 ( -0.000 1.741 -6.964) 7.178 16.032 ( 0.000 7.254 2.755) 7.759 ======================= Grid point 588 (236/670) ======================= q-point: (-0.37 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.199 ( -4.242 -13.219 3.807) 14.395 5.777 ( 11.473 -5.247 1.330) 12.686 6.725 ( 7.800 -15.729 -2.011) 17.672 8.407 ( -0.924 -5.549 9.550) 11.084 8.995 ( -1.215 -1.884 2.675) 3.490 10.200 ( -3.847 -17.758 -2.372) 18.324 11.921 ( 3.443 4.113 1.632) 5.607 13.461 ( -17.840 7.063 0.620) 19.198 14.275 ( 12.799 1.457 0.205) 12.883 14.869 ( 1.374 -1.812 -1.835) 2.922 15.112 ( 1.110 3.159 -4.613) 5.700 16.144 ( 0.826 10.474 2.628) 10.830 ======================= Grid point 589 (237/670) ======================= q-point: (-0.32 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( -5.763 -18.324 4.434) 19.714 5.986 ( 19.714 -10.190 2.193) 22.300 6.743 ( 15.645 -18.914 -2.691) 24.693 8.345 ( -2.246 -8.759 9.822) 13.351 8.948 ( -1.772 -5.064 4.361) 6.914 9.934 ( -4.546 -16.929 -3.060) 17.794 12.051 ( 6.219 3.825 0.917) 7.358 13.228 ( -18.864 10.925 0.723) 21.811 14.461 ( 8.454 -1.437 -1.167) 8.654 14.825 ( -4.874 -0.057 -2.739) 5.591 15.227 ( 9.241 2.920 0.250) 9.695 16.268 ( -0.250 11.013 1.593) 11.130 ======================= Grid point 590 (238/670) ======================= q-point: (-0.26 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( -2.581 -19.624 4.955) 20.404 6.218 ( 22.036 -19.747 1.833) 29.646 6.876 ( 21.671 -18.190 -1.546) 28.335 8.240 ( -2.348 -9.439 7.764) 12.445 8.877 ( -0.224 -8.898 6.697) 11.139 9.710 ( -3.539 -10.754 -3.898) 11.973 12.212 ( 8.305 2.629 0.016) 8.711 13.052 ( -16.176 14.702 1.064) 21.885 14.536 ( 1.758 -1.180 -1.108) 2.390 14.695 ( -6.740 -1.491 -2.485) 7.336 15.432 ( 10.436 0.303 2.462) 10.726 16.355 ( -2.596 9.907 0.854) 10.277 ======================= Grid point 591 (239/670) ======================= q-point: (-0.21 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.561 ( 5.223 -16.646 4.940) 18.132 6.347 ( 20.337 -28.067 -0.073) 34.660 7.044 ( 17.648 -22.675 2.104) 28.810 8.197 ( 4.823 -3.225 3.555) 6.805 8.837 ( 4.178 -10.897 9.022) 14.751 9.568 ( -2.352 -4.640 -4.607) 6.949 12.380 ( 8.745 1.320 -1.286) 8.937 12.980 ( -11.478 18.017 1.100) 21.391 14.429 ( -14.891 5.185 1.500) 15.839 14.628 ( 5.008 -8.590 -2.863) 10.348 15.576 ( 6.321 -3.602 2.797) 7.795 16.375 ( -5.853 7.751 0.830) 9.748 ======================= Grid point 592 (240/670) ======================= q-point: (-0.16 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.611 ( 14.613 -11.214 4.126) 18.876 6.375 ( 16.511 -29.355 -0.802) 33.690 6.982 ( 5.693 -30.095 3.167) 30.792 8.405 ( 16.163 4.031 0.449) 16.664 8.886 ( 10.348 -11.503 10.547) 18.725 9.495 ( -0.687 -1.076 -5.165) 5.321 12.524 ( 7.659 0.880 -3.198) 8.347 13.014 ( -7.115 19.612 -0.030) 20.863 14.224 ( -15.738 6.563 5.161) 17.815 14.612 ( 4.232 -9.435 -2.524) 10.644 15.589 ( 0.222 -7.451 2.576) 7.887 16.311 ( -9.225 5.032 1.238) 10.580 ======================= Grid point 593 (241/670) ======================= q-point: (-0.11 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( 20.985 -6.076 2.673) 22.010 6.316 ( 7.909 -25.834 0.222) 27.019 6.756 ( 4.988 -30.137 0.650) 30.554 8.744 ( 15.479 4.491 -0.036) 16.118 9.047 ( 16.584 -11.128 10.927) 22.765 9.488 ( 3.013 0.381 -6.174) 6.881 12.633 ( 6.257 -0.108 -7.030) 9.412 13.106 ( -5.373 20.488 -0.520) 21.187 14.087 ( -11.823 8.883 9.886) 17.788 14.566 ( 2.672 -9.478 -2.414) 10.139 15.450 ( -6.851 -10.896 2.428) 13.098 16.176 ( -11.143 2.776 1.808) 11.625 ======================= Grid point 607 (242/670) ======================= q-point: (-0.37 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.082 ( 0.000 -20.518 4.058) 20.915 5.610 ( 0.000 -9.148 1.518) 9.273 6.456 ( -0.000 -21.780 -2.608) 21.936 8.382 ( 0.000 -9.284 11.889) 15.084 8.984 ( 0.000 -5.607 3.755) 6.748 10.009 ( -0.000 -22.405 -3.633) 22.698 11.948 ( 0.000 5.374 1.364) 5.544 13.741 ( 0.000 8.758 1.390) 8.868 14.157 ( -0.000 4.081 0.116) 4.083 14.815 ( -0.000 -3.345 -1.163) 3.541 15.123 ( -0.000 4.285 -5.302) 6.817 16.276 ( 0.000 14.089 2.841) 14.373 ======================= Grid point 608 (243/670) ======================= q-point: (-0.32 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( -2.930 -26.220 4.111) 26.701 5.594 ( 11.021 -16.168 2.061) 19.675 6.299 ( 9.560 -22.560 -3.207) 24.711 8.309 ( -1.112 -12.892 12.517) 18.003 8.899 ( -0.569 -13.937 5.018) 14.823 9.778 ( -0.723 -17.278 -4.813) 17.950 12.029 ( 2.464 5.253 1.175) 5.920 13.661 ( -16.473 11.499 1.851) 20.174 14.300 ( 8.017 1.010 -1.121) 8.158 14.828 ( 4.220 -1.509 -0.278) 4.491 15.156 ( 1.258 4.471 -3.499) 5.815 16.425 ( -1.215 15.203 2.110) 15.397 ======================= Grid point 609 (244/670) ======================= q-point: (-0.26 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.525 ( -1.752 -28.339 4.341) 28.723 5.639 ( 17.769 -27.518 0.900) 32.769 6.332 ( 18.633 -18.155 -1.896) 26.084 8.185 ( -1.396 -15.769 10.985) 19.269 8.743 ( 1.744 -21.781 6.138) 22.697 9.622 ( -0.844 -7.722 -5.167) 9.329 12.143 ( 4.473 4.819 0.767) 6.619 13.500 ( -17.217 14.411 2.606) 22.603 14.394 ( 5.696 -3.270 -2.318) 6.964 14.848 ( -4.069 2.297 -0.783) 4.738 15.260 ( 8.332 0.844 -0.308) 8.380 16.543 ( -3.576 14.787 1.595) 15.297 ======================= Grid point 610 (245/670) ======================= q-point: (-0.21 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 4.391 -25.970 4.357) 26.696 5.660 ( 21.481 -35.165 -1.926) 41.252 6.508 ( 20.314 -18.996 1.650) 27.860 8.067 ( 3.191 -14.675 7.310) 16.702 8.606 ( 6.334 -23.574 7.352) 25.494 9.540 ( -1.420 -1.659 -4.984) 5.441 12.280 ( 5.719 4.330 -0.448) 7.187 13.393 ( -14.223 16.936 3.774) 22.435 14.435 ( 4.887 -4.906 -2.275) 7.288 14.733 ( -11.184 3.397 -0.845) 11.719 15.407 ( 8.764 -3.618 0.985) 9.532 16.601 ( -6.856 13.268 1.897) 15.054 ======================= Grid point 611 (246/670) ======================= q-point: (-0.16 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( 13.824 -20.430 3.716) 24.946 5.683 ( 23.861 -35.814 -3.869) 43.208 6.571 ( 10.578 -26.855 4.586) 29.226 8.122 ( 15.469 -9.094 2.805) 18.162 8.559 ( 11.280 -22.126 8.303) 26.187 9.493 ( -1.686 1.108 -4.606) 5.029 12.415 ( 5.785 3.828 -2.966) 7.544 13.378 ( -10.315 19.031 4.763) 22.164 14.443 ( 2.770 -5.667 -1.747) 6.545 14.556 ( -12.325 3.907 0.971) 12.966 15.474 ( 4.607 -7.235 0.879) 8.622 16.578 ( -10.839 10.864 2.802) 15.601 ======================= Grid point 612 (247/670) ======================= q-point: (-0.11 -0.37 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.379 ( 22.724 -14.431 2.404) 27.026 5.744 ( 23.590 -31.480 -4.388) 39.582 6.396 ( 2.521 -30.852 4.560) 31.289 8.408 ( 24.890 -8.089 0.445) 26.175 8.617 ( 15.347 -18.792 8.140) 25.591 9.470 ( -1.031 2.286 -4.101) 4.807 12.523 ( 4.583 2.983 -6.833) 8.752 13.441 ( -7.670 20.366 4.895) 22.306 14.384 ( -6.867 1.946 3.835) 8.103 14.443 ( -1.999 -2.469 -0.246) 3.186 15.421 ( -1.418 -9.901 0.741) 10.030 16.468 ( -14.230 8.399 3.858) 16.968 ======================= Grid point 627 (248/670) ======================= q-point: (-0.32 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( 0.000 -32.549 3.574) 32.744 5.299 ( 0.000 -25.977 2.300) 26.079 5.980 ( -0.000 -20.153 -3.696) 20.489 8.214 ( 0.000 -18.611 13.534) 23.012 8.710 ( 0.000 -27.244 4.338) 27.587 9.636 ( -0.000 -7.376 -5.148) 8.995 12.069 ( 0.000 5.690 1.553) 5.898 13.953 ( 0.000 10.253 3.092) 10.709 14.238 ( -0.000 3.934 -1.349) 4.159 14.734 ( 0.000 -3.862 0.024) 3.862 15.198 ( -0.000 6.311 -3.932) 7.436 16.607 ( 0.000 16.800 1.678) 16.884 ======================= Grid point 628 (249/670) ======================= q-point: (-0.26 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( -0.311 -35.576 3.344) 35.734 5.080 ( 9.817 -36.652 1.026) 37.958 5.891 ( 11.212 -15.144 -2.581) 19.019 8.028 ( 0.407 -28.551 11.598) 30.820 8.450 ( 2.370 -29.239 4.347) 29.655 9.581 ( -0.772 0.202 -4.527) 4.597 12.150 ( 1.814 5.953 1.769) 6.470 13.922 ( -13.854 11.703 3.980) 18.567 14.294 ( 2.758 0.067 -2.490) 3.717 14.794 ( 7.898 -2.352 0.931) 8.294 15.233 ( -0.915 5.533 -3.400) 6.558 16.762 ( -2.353 16.875 1.315) 17.089 ======================= Grid point 629 (250/670) ======================= q-point: (-0.21 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 4.086 -34.056 3.165) 34.446 4.919 ( 17.671 -42.263 -1.915) 45.849 6.003 ( 17.899 -15.243 0.119) 23.510 7.786 ( 6.028 -35.563 7.967) 36.940 8.267 ( 5.067 -23.946 5.553) 25.099 9.561 ( -1.881 3.057 -4.212) 5.534 12.259 ( 3.059 6.174 1.208) 6.996 13.811 ( -14.079 12.705 5.329) 19.699 14.329 ( 2.879 -0.498 -2.422) 3.795 14.851 ( -0.291 -2.175 -0.987) 2.406 15.275 ( 2.920 1.666 -1.461) 3.666 16.866 ( -5.481 15.992 1.748) 16.996 ======================= Grid point 630 (251/670) ======================= q-point: (-0.16 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.758 ( 12.501 -28.817 2.417) 31.505 4.847 ( 24.686 -42.356 -4.716) 49.251 6.126 ( 14.360 -21.195 3.167) 25.796 7.645 ( 16.928 -35.121 4.728) 39.273 8.194 ( 8.851 -18.412 5.531) 21.164 9.541 ( -2.589 3.818 -3.910) 6.047 12.380 ( 3.407 6.176 -0.758) 7.094 13.753 ( -10.431 14.000 7.076) 18.838 14.356 ( 1.485 -0.768 -1.752) 2.422 14.754 ( -6.916 -0.890 -2.044) 7.267 15.332 ( 4.164 -3.286 -0.414) 5.321 16.897 ( -9.598 14.212 2.939) 17.400 ======================= Grid point 631 (252/670) ======================= q-point: (-0.11 -0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 22.268 -22.279 1.029) 31.516 4.898 ( 30.102 -38.076 -6.408) 48.959 6.064 ( 5.050 -26.886 5.043) 27.817 7.713 ( 28.665 -34.547 2.993) 44.990 8.257 ( 13.497 -11.305 3.709) 17.992 9.520 ( -2.547 3.748 -3.204) 5.550 12.484 ( 2.594 5.692 -4.224) 7.548 13.780 ( -7.075 15.410 8.178) 18.825 14.340 ( -0.403 -3.202 -1.086) 3.405 14.629 ( -7.043 2.520 0.094) 7.480 15.332 ( 1.269 -6.344 -0.470) 6.486 16.836 ( -14.068 11.936 4.416) 18.970 ======================= Grid point 647 (253/670) ======================= q-point: (-0.26 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 0.000 -39.995 2.574) 40.078 4.596 ( 0.000 -43.383 1.050) 43.396 5.645 ( -0.000 -12.471 -2.590) 12.737 7.665 ( 0.000 -47.139 6.773) 47.623 8.193 ( 0.000 -22.471 6.716) 23.453 9.598 ( -0.000 4.090 -4.134) 5.816 12.207 ( 0.000 6.762 2.649) 7.263 14.176 ( 0.000 8.614 5.049) 9.985 14.272 ( -0.000 0.789 -3.192) 3.288 14.681 ( 0.000 -1.843 1.919) 2.661 15.291 ( -0.000 5.701 -4.756) 7.424 16.958 ( -0.000 17.180 0.913) 17.205 ======================= Grid point 648 (254/670) ======================= q-point: (-0.21 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 3.417 -39.962 2.083) 40.162 4.228 ( 9.433 -46.714 -0.666) 47.662 5.611 ( 10.515 -12.630 -1.279) 16.484 7.228 ( 6.921 -53.238 3.800) 53.820 8.024 ( 1.739 -20.271 7.506) 21.686 9.618 ( -1.410 5.219 -4.421) 6.984 12.300 ( 1.173 7.453 2.822) 8.055 14.134 ( -10.096 3.610 4.348) 11.570 14.311 ( 1.402 5.689 -1.482) 6.043 14.741 ( 5.566 -3.895 1.349) 6.927 15.306 ( -1.673 4.480 -4.985) 6.908 17.108 ( -2.780 16.578 1.187) 16.851 ======================= Grid point 649 (255/670) ======================= q-point: (-0.16 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 10.732 -35.438 1.038) 37.042 3.995 ( 19.135 -46.775 -3.675) 50.671 5.696 ( 14.072 -16.200 0.921) 21.479 6.912 ( 16.935 -52.487 2.674) 55.216 7.918 ( 5.664 -17.877 6.443) 19.829 9.617 ( -2.618 5.108 -4.649) 7.386 12.410 ( 1.529 7.829 1.584) 8.133 14.032 ( -7.396 4.149 6.220) 10.517 14.385 ( -1.236 7.896 -0.413) 8.003 14.738 ( 1.273 -7.755 -1.744) 8.050 15.299 ( -0.961 2.305 -3.582) 4.367 17.196 ( -6.400 15.324 2.293) 16.764 ======================= Grid point 650 (256/670) ======================= q-point: (-0.11 -0.26 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 20.205 -28.812 -0.772) 35.199 3.946 ( 29.222 -42.601 -6.472) 52.064 5.719 ( 8.582 -21.683 3.438) 23.572 6.807 ( 28.343 -48.517 1.781) 56.217 7.930 ( 11.731 -13.565 4.095) 18.396 9.598 ( -3.073 4.375 -4.144) 6.764 12.511 ( 0.898 7.621 -1.349) 7.791 14.018 ( -3.663 6.153 8.175) 10.868 14.385 ( -5.420 2.434 1.541) 6.138 14.676 ( 0.551 -2.874 -3.811) 4.805 15.285 ( -0.721 -0.592 -2.284) 2.467 17.201 ( -11.119 13.457 3.792) 17.864 ======================= Grid point 667 (257/670) ======================= q-point: (-0.21 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 0.000 -42.503 1.447) 42.528 3.672 ( 0.000 -48.014 -0.141) 48.014 5.392 ( -0.000 -11.877 -1.558) 11.979 6.598 ( 0.000 -59.629 0.973) 59.637 7.832 ( 0.000 -21.235 8.262) 22.786 9.668 ( -0.000 5.824 -5.547) 8.043 12.383 ( 0.000 8.504 3.816) 9.320 14.225 ( -0.000 -2.446 -3.693) 4.429 14.361 ( 0.000 5.330 6.036) 8.053 14.689 ( 0.000 0.598 2.762) 2.826 15.338 ( -0.000 3.230 -6.995) 7.705 17.298 ( 0.000 15.950 1.060) 15.985 ======================= Grid point 668 (258/670) ======================= q-point: (-0.16 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 7.698 -40.095 0.302) 40.828 3.266 ( 8.910 -47.545 -1.708) 48.403 5.347 ( 8.727 -13.201 -0.672) 15.839 6.093 ( 11.599 -60.607 0.016) 61.707 7.675 ( 3.262 -20.856 7.837) 22.517 9.688 ( -1.649 5.572 -6.658) 8.837 12.490 ( 0.272 9.203 3.462) 9.837 14.145 ( -3.549 -1.705 0.503) 3.970 14.470 ( 3.612 5.906 2.600) 7.395 14.671 ( -3.606 -3.130 1.823) 5.111 15.327 ( -0.899 2.167 -6.949) 7.334 17.434 ( -2.777 14.819 1.734) 15.177 ======================= Grid point 669 (259/670) ======================= q-point: (-0.11 -0.21 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 17.309 -34.099 -2.221) 38.305 3.046 ( 20.805 -43.990 -4.669) 48.885 5.373 ( 9.762 -16.797 1.291) 19.470 5.813 ( 24.793 -57.415 -0.164) 62.539 7.612 ( 9.135 -17.620 5.967) 20.725 9.674 ( -2.775 4.609 -6.706) 8.597 12.592 ( -0.480 9.200 1.232) 9.294 14.113 ( -0.997 1.339 4.783) 5.066 14.517 ( -6.073 -9.423 1.034) 11.258 14.602 ( 2.467 7.957 -0.173) 8.333 15.301 ( -1.388 1.185 -5.474) 5.770 17.503 ( -6.702 13.318 2.847) 15.178 ======================= Grid point 687 (260/670) ======================= q-point: (-0.16 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 0.000 -40.872 0.054) 40.873 2.721 ( 0.000 -46.015 -0.947) 46.025 5.141 ( -0.000 -12.209 -1.021) 12.252 5.355 ( 0.000 -63.996 -1.807) 64.022 7.458 ( 0.000 -22.487 8.860) 24.170 9.729 ( -0.000 5.568 -9.026) 10.606 12.603 ( 0.000 10.357 4.225) 11.185 14.135 ( -0.000 -3.576 -3.232) 4.820 14.469 ( 0.000 1.100 4.728) 4.854 14.734 ( 0.000 1.547 2.765) 3.169 15.316 ( -0.000 0.633 -8.131) 8.156 17.605 ( 0.000 13.505 1.851) 13.631 ======================= Grid point 688 (261/670) ======================= q-point: (-0.11 -0.16 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 11.047 -37.715 -2.134) 39.358 2.346 ( 9.159 -42.199 -2.249) 43.240 4.843 ( 15.954 -63.296 -2.019) 65.307 5.079 ( 6.623 -13.041 -0.379) 14.631 7.317 ( 5.571 -20.844 8.606) 23.228 9.729 ( -1.730 4.804 -10.298) 11.494 12.716 ( -1.150 10.799 3.103) 11.294 14.110 ( 2.300 -1.731 -0.190) 2.885 14.464 ( -2.394 -5.839 -0.085) 6.311 14.725 ( -2.955 4.450 4.069) 6.715 15.293 ( 0.275 0.116 -7.080) 7.087 17.719 ( -2.589 12.035 2.424) 12.547 ======================= Grid point 707 (262/670) ======================= q-point: (-0.11 -0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.000 -35.992 -1.275) 36.015 1.848 ( 0.000 -40.188 -1.310) 40.209 4.036 ( 0.000 -65.946 -3.304) 66.029 4.898 ( -0.000 -11.210 -0.803) 11.239 7.090 ( 0.000 -21.314 11.012) 23.991 9.747 ( -0.000 4.629 -13.538) 14.308 12.858 ( 0.000 12.183 3.618) 12.709 14.041 ( -0.000 -3.499 -2.724) 4.434 14.462 ( 0.000 -4.007 0.485) 4.036 14.788 ( 0.000 1.743 2.627) 3.153 15.258 ( -0.000 -0.611 -5.723) 5.756 17.860 ( 0.000 10.302 2.686) 10.647 ======================= Grid point 768 (263/670) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 -0.000 22.828) 22.828 0.536 ( 0.000 -0.000 22.828) 22.828 1.145 ( 0.000 -0.000 48.808) 48.808 4.518 ( -0.000 0.000 -0.460) 0.460 4.518 ( -0.000 0.000 -0.460) 0.460 13.057 ( -0.000 0.000 -6.782) 6.782 13.878 ( -0.000 0.000 -1.544) 1.544 13.878 ( -0.000 0.000 -1.544) 1.544 14.885 ( 0.000 -0.000 0.855) 0.855 14.885 ( 0.000 -0.000 0.855) 0.855 15.263 ( 0.000 -0.000 5.417) 5.417 16.873 ( -0.000 0.000 -1.040) 1.040 ======================= Grid point 769 (264/670) ======================= q-point: ( 0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 16.829 9.716 18.069) 26.535 1.103 ( 16.976 9.801 26.525) 32.983 1.642 ( 36.086 20.834 26.540) 49.403 4.547 ( 3.143 1.814 -0.894) 3.737 5.442 ( 50.945 29.413 -31.037) 66.512 11.760 ( -79.873 -46.115 62.014) 111.140 13.506 ( -18.408 -10.628 4.473) 21.721 13.858 ( 0.137 0.079 -2.471) 2.476 14.053 ( -1.410 -0.814 1.287) 2.075 14.911 ( 0.525 0.303 1.751) 1.853 15.309 ( 1.821 1.051 7.223) 7.523 17.761 ( 20.728 11.967 -20.920) 31.788 ======================= Grid point 770 (265/670) ======================= q-point: ( 0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 27.376 15.805 14.662) 34.846 1.518 ( 14.246 8.225 29.444) 33.728 2.779 ( 52.009 30.027 8.139) 60.604 4.653 ( 6.225 3.594 -1.538) 7.350 6.312 ( 35.401 20.439 -22.577) 46.698 10.690 ( -36.821 -21.259 44.663) 61.665 13.214 ( -10.125 -5.846 2.089) 11.876 13.867 ( 1.595 0.921 -2.742) 3.303 14.045 ( 0.657 0.379 -10.003) 10.031 14.920 ( -0.399 -0.231 2.132) 2.181 15.387 ( 1.685 0.973 9.349) 9.549 17.881 ( -0.827 -0.478 -11.013) 11.054 ======================= Grid point 771 (266/670) ======================= q-point: ( 0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 22.906 13.225 20.812) 33.656 2.189 ( 35.691 20.606 13.078) 43.238 4.028 ( 54.123 31.248 2.655) 62.552 4.809 ( 7.735 4.466 -2.609) 9.305 6.970 ( 28.224 16.295 -12.897) 35.049 10.196 ( -19.989 -11.541 25.539) 34.424 13.032 ( -6.739 -3.891 3.880) 8.695 13.912 ( 3.085 1.781 -2.257) 4.217 14.002 ( -0.056 -0.032 -15.763) 15.764 14.907 ( -1.417 -0.818 1.977) 2.566 15.434 ( -1.123 -0.648 9.597) 9.684 17.715 ( -9.695 -5.597 -8.257) 13.910 ======================= Grid point 772 (267/670) ======================= q-point: ( 0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 29.010 16.749 12.417) 35.726 3.121 ( 40.457 23.358 11.346) 48.073 4.979 ( 7.965 4.599 -3.666) 9.901 5.276 ( 53.505 30.891 -0.495) 61.784 7.532 ( 24.218 13.983 -7.740) 29.016 9.903 ( -12.492 -7.212 13.423) 19.704 12.930 ( -4.020 -2.321 6.615) 8.081 13.928 ( -0.652 -0.377 -18.730) 18.746 13.992 ( 4.435 2.561 -1.074) 5.233 14.869 ( -2.479 -1.431 1.323) 3.154 15.395 ( -5.335 -3.080 7.870) 9.995 17.392 ( -15.295 -8.831 -7.674) 19.257 ======================= Grid point 773 (268/670) ======================= q-point: ( 0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 31.247 18.041 5.888) 36.559 4.105 ( 40.806 23.559 8.787) 47.931 5.150 ( 8.170 4.717 -3.784) 10.165 6.471 ( 50.243 29.008 -3.200) 58.104 8.034 ( 21.662 12.506 -5.586) 25.629 9.708 ( -7.781 -4.492 6.177) 10.903 12.892 ( -2.079 -1.200 9.855) 10.143 13.828 ( -1.746 -1.008 -19.507) 19.611 14.105 ( 5.286 3.052 0.546) 6.128 14.802 ( -3.553 -2.051 0.243) 4.110 15.241 ( -10.170 -5.872 4.404) 12.542 16.976 ( -17.806 -10.281 -6.735) 21.636 ======================= Grid point 774 (269/670) ======================= q-point: ( 0.42 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 30.431 17.569 1.187) 35.159 5.033 ( 36.672 21.172 4.957) 42.634 5.334 ( 8.981 5.185 -1.880) 10.539 7.538 ( 43.244 24.967 -6.552) 50.362 8.495 ( 20.007 11.551 -4.299) 23.498 9.594 ( -3.332 -1.924 2.665) 4.681 12.902 ( -0.941 -0.543 12.270) 12.318 13.702 ( -2.964 -1.711 -17.280) 17.615 14.234 ( 5.330 3.077 2.270) 6.559 14.708 ( -4.469 -2.580 -1.143) 5.285 14.958 ( -14.889 -8.596 -0.641) 17.204 16.549 ( -16.873 -9.741 -4.264) 19.944 ======================= Grid point 775 (270/670) ======================= q-point: ( 0.47 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.837 ( 26.809 15.478 -1.818) 31.010 5.518 ( 9.066 5.234 -2.846) 10.848 5.831 ( 28.913 16.693 4.787) 33.727 8.376 ( 31.679 18.290 -10.948) 38.183 8.905 ( 15.469 8.931 -2.792) 18.079 9.603 ( 4.429 2.557 2.685) 5.776 12.921 ( -1.667 -0.962 9.537) 9.729 13.582 ( -2.407 -1.390 -8.721) 9.154 14.361 ( 4.521 2.610 3.909) 6.521 14.570 ( -16.872 -9.741 -5.893) 20.354 14.592 ( -4.792 -2.767 -2.727) 6.169 16.186 ( -13.524 -7.808 -0.909) 15.643 ======================= Grid point 776 (271/670) ======================= q-point: ( 0.53 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.369 ( 19.520 11.270 -3.386) 22.793 5.693 ( 6.503 3.755 -1.274) 7.616 6.401 ( 18.823 10.867 2.442) 21.871 8.902 ( 17.203 9.932 -11.576) 22.991 9.143 ( 8.101 4.677 -4.696) 10.466 9.833 ( 12.015 6.937 5.281) 14.845 12.860 ( -5.292 -3.055 -1.772) 6.363 13.551 ( -0.284 -0.164 6.473) 6.481 14.198 ( -11.142 -6.433 -8.028) 15.165 14.448 ( -1.372 -0.792 2.242) 2.746 14.494 ( 0.421 0.243 -1.236) 1.328 15.928 ( -8.832 -5.099 1.928) 10.379 ======================= Grid point 777 (272/670) ======================= q-point: ( 0.58 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.679 ( 7.871 4.544 -3.895) 9.888 5.794 ( 2.394 1.382 -0.949) 2.923 6.699 ( 6.077 3.509 1.418) 7.159 9.070 ( 2.861 1.652 -4.543) 5.617 9.341 ( 10.004 5.776 -11.260) 16.131 10.059 ( 3.430 1.980 7.050) 8.087 12.680 ( -7.518 -4.341 -10.683) 13.765 13.560 ( -1.651 -0.953 8.519) 8.729 14.092 ( 3.705 2.139 0.637) 4.326 14.362 ( -3.053 -1.763 -3.866) 5.232 14.562 ( 2.298 1.327 4.575) 5.289 15.806 ( -2.431 -1.403 4.121) 4.987 ======================= Grid point 778 (273/670) ======================= q-point: (-0.37 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.682 ( -6.409 -3.700 -3.736) 8.290 5.794 ( -1.954 -1.128 -0.912) 2.433 6.682 ( -8.015 -4.628 0.776) 9.288 9.091 ( 0.488 0.282 -3.143) 3.193 9.446 ( 2.696 1.556 -11.246) 11.669 9.990 ( -12.343 -7.126 7.885) 16.288 12.476 ( -5.344 -3.085 -13.581) 14.917 13.603 ( 4.216 2.434 4.680) 6.753 14.293 ( 10.297 5.945 8.645) 14.700 14.295 ( -1.401 -0.809 -4.282) 4.577 14.621 ( 1.367 0.789 4.715) 4.972 15.857 ( 5.168 2.984 6.125) 8.551 ======================= Grid point 779 (274/670) ======================= q-point: (-0.32 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.364 ( -19.535 -11.278 -3.544) 22.833 5.703 ( -5.614 -3.242 -0.932) 6.550 6.342 ( -21.122 -12.195 0.334) 24.391 9.036 ( -5.251 -3.032 -4.223) 7.390 9.407 ( -3.774 -2.179 -11.884) 12.658 9.567 ( -23.744 -13.708 10.496) 29.357 12.353 ( -0.950 -0.548 -12.457) 12.506 13.790 ( 9.999 5.773 3.548) 12.079 14.260 ( -0.583 -0.337 -3.358) 3.425 14.579 ( 10.861 6.271 9.602) 15.795 14.663 ( 0.944 0.545 3.649) 3.808 16.082 ( 11.741 6.779 7.629) 15.556 ======================= Grid point 780 (275/670) ======================= q-point: (-0.26 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.782 ( -29.197 -16.857 -3.989) 33.949 5.470 ( -18.725 -10.811 -4.473) 22.080 5.798 ( -20.966 -12.105 3.433) 24.451 8.758 ( -38.710 -22.349 2.900) 44.793 8.801 ( -13.442 -7.761 -7.439) 17.212 9.464 ( 1.956 1.129 -0.596) 2.335 12.332 ( 2.637 1.523 -10.144) 10.592 14.051 ( 10.870 6.276 2.690) 12.837 14.234 ( -1.001 -0.578 -1.351) 1.778 14.695 ( 1.000 0.578 1.646) 2.011 14.846 ( 9.085 5.245 8.376) 13.424 16.436 ( 15.899 9.179 7.840) 19.962 ======================= Grid point 781 (276/670) ======================= q-point: (-0.21 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( -35.263 -20.359 -5.093) 41.036 4.720 ( -39.364 -22.727 -5.965) 45.844 5.522 ( -8.911 -5.145 4.380) 11.183 7.753 ( -47.924 -27.669 1.651) 55.363 8.429 ( -16.710 -9.647 -6.100) 20.236 9.522 ( 2.812 1.624 0.116) 3.249 12.389 ( 5.113 2.952 -8.078) 10.005 14.199 ( -1.948 -1.124 0.913) 2.427 14.283 ( 8.146 4.703 1.879) 9.592 14.722 ( 1.177 0.680 -0.530) 1.459 15.052 ( 6.128 3.538 6.755) 9.782 16.852 ( 17.370 10.029 6.500) 21.084 ======================= Grid point 782 (277/670) ======================= q-point: (-0.16 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -37.983 -21.929 -6.012) 44.269 3.732 ( -43.268 -24.981 -5.253) 50.237 5.335 ( -9.071 -5.237 3.362) 11.001 6.589 ( -53.204 -30.717 1.605) 61.455 8.000 ( -18.274 -10.550 -6.048) 21.950 9.586 ( 2.461 1.421 1.501) 3.214 12.500 ( 6.856 3.958 -6.413) 10.188 14.153 ( -2.648 -1.529 2.564) 3.990 14.434 ( 4.391 2.535 1.320) 5.239 14.745 ( 1.267 0.732 -2.118) 2.574 15.179 ( 3.010 1.738 5.370) 6.397 17.263 ( 16.171 9.336 3.938) 19.084 ======================= Grid point 783 (278/670) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -37.022 -21.374 -5.029) 43.044 2.733 ( -41.162 -23.765 -2.972) 47.623 5.124 ( -10.045 -5.800 1.986) 11.768 5.333 ( -56.046 -32.358 2.037) 64.748 7.549 ( -18.635 -10.759 -6.927) 22.605 9.650 ( 2.263 1.307 4.670) 5.351 12.655 ( 8.523 4.921 -4.959) 11.021 14.099 ( -2.954 -1.706 3.184) 4.666 14.495 ( 0.568 0.328 0.591) 0.883 14.766 ( 1.352 0.780 -2.818) 3.222 15.239 ( 0.669 0.387 4.971) 5.030 17.611 ( 12.984 7.496 0.741) 15.010 ======================= Grid point 788 (279/670) ======================= q-point: ( 0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 16.463 18.643) 24.872 1.108 ( 0.000 15.236 26.336) 30.426 1.805 ( 0.000 38.709 28.661) 48.165 4.566 ( -0.000 4.569 -0.476) 4.593 5.295 ( -0.000 53.562 -25.341) 59.254 11.941 ( 0.000 -86.915 48.030) 99.302 13.419 ( 0.000 -22.892 0.913) 22.910 13.916 ( -0.000 3.292 -1.017) 3.445 14.236 ( 0.000 -1.506 7.152) 7.309 14.850 ( 0.000 -2.440 0.229) 2.451 15.338 ( 0.000 2.534 8.113) 8.500 17.655 ( -0.000 24.497 -20.399) 31.879 ======================= Grid point 789 (280/670) ======================= q-point: ( 0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 14.470 17.956 18.697) 29.688 1.477 ( 12.995 7.297 28.286) 31.973 2.555 ( 24.326 49.865 12.770) 56.933 4.636 ( 2.173 7.278 -1.062) 7.669 5.945 ( 25.429 36.281 -22.942) 49.893 11.110 ( -26.349 -48.381 45.040) 71.159 13.204 ( -2.410 -15.644 -0.406) 15.834 13.945 ( -0.865 5.232 -3.164) 6.176 14.120 ( -11.002 6.636 -2.241) 13.043 14.863 ( 3.266 -4.802 0.515) 5.830 15.422 ( 1.459 3.141 10.139) 10.714 17.805 ( 4.166 3.614 -13.837) 14.896 ======================= Grid point 790 (281/670) ======================= q-point: ( 0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 24.400 15.327 22.919) 36.818 1.932 ( 20.685 17.592 16.182) 31.610 3.631 ( 37.811 47.676 4.477) 61.014 4.776 ( 4.402 9.949 -2.055) 11.071 6.625 ( 26.587 23.970 -15.713) 39.093 10.496 ( -20.628 -24.169 30.470) 44.024 13.031 ( -1.624 -11.982 1.273) 12.158 13.949 ( -1.056 2.070 -10.780) 11.028 14.027 ( -7.411 10.504 -2.370) 13.072 14.864 ( 2.930 -5.793 0.802) 6.541 15.493 ( -0.911 1.189 10.631) 10.736 17.750 ( -4.154 -4.695 -9.869) 11.692 ======================= Grid point 791 (282/670) ======================= q-point: ( 0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 24.016 13.977 15.157) 31.652 2.760 ( 35.598 26.995 13.259) 46.602 4.769 ( 36.004 35.036 -0.998) 50.247 4.989 ( 11.520 20.865 -2.028) 23.920 7.223 ( 24.630 17.244 -10.288) 31.778 10.102 ( -14.709 -13.637 17.979) 26.936 12.923 ( 0.282 -9.112 3.823) 9.886 13.872 ( -1.696 -0.272 -16.409) 16.499 14.048 ( -3.351 11.156 -0.457) 11.657 14.855 ( 1.563 -4.820 1.012) 5.167 15.481 ( -4.306 -2.450 9.104) 10.365 17.511 ( -11.434 -8.257 -8.402) 16.417 ======================= Grid point 792 (283/670) ======================= q-point: ( 0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 29.101 14.943 7.400) 33.540 3.730 ( 37.731 29.332 10.992) 49.039 5.111 ( 5.008 12.386 -4.510) 14.100 6.001 ( 42.742 40.814 -2.199) 59.139 7.747 ( 22.681 12.941 -7.585) 27.193 9.832 ( -10.171 -8.149 9.359) 16.045 12.885 ( 2.001 -6.892 6.884) 9.944 13.771 ( -1.745 -1.115 -18.169) 18.287 14.117 ( -0.252 8.647 0.750) 8.683 14.822 ( -1.352 -3.484 0.906) 3.845 15.364 ( -7.894 -5.195 5.693) 11.033 17.148 ( -16.111 -9.657 -7.237) 20.130 ======================= Grid point 793 (284/670) ======================= q-point: ( 0.42 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( 31.287 13.708 1.778) 34.204 4.696 ( 35.121 29.135 7.979) 46.325 5.306 ( 4.416 14.013 -4.044) 15.239 7.089 ( 40.069 34.767 -5.127) 53.297 8.216 ( 21.718 9.998 -6.353) 24.738 9.656 ( -5.920 -4.402 4.324) 8.551 12.900 ( 2.872 -5.264 9.425) 11.170 13.652 ( -1.940 -2.623 -16.904) 17.216 14.215 ( 2.368 6.042 2.213) 6.856 14.725 ( -5.241 -6.561 0.583) 8.418 15.161 ( -11.731 -2.483 0.421) 11.998 16.735 ( -17.229 -9.257 -4.905) 20.164 ======================= Grid point 794 (285/670) ======================= q-point: ( 0.47 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.454 ( 30.644 11.040 -1.830) 32.624 5.510 ( 4.687 18.597 -4.779) 19.765 5.560 ( 28.346 22.823 7.050) 37.068 8.000 ( 32.187 26.078 -9.151) 42.424 8.654 ( 20.930 7.638 -4.582) 22.746 9.584 ( -0.206 -0.778 2.405) 2.536 12.931 ( 1.679 -4.486 7.517) 8.913 13.542 ( -0.404 -3.650 -9.128) 9.839 14.326 ( 3.337 2.578 2.432) 4.868 14.490 ( -8.738 -14.585 -0.798) 17.021 14.948 ( -14.566 7.724 -4.004) 16.966 16.355 ( -15.109 -7.410 -1.459) 16.891 ======================= Grid point 795 (286/670) ======================= q-point: ( 0.53 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.034 ( 26.515 7.000 -3.578) 27.656 5.718 ( 2.483 15.549 -2.241) 15.905 6.233 ( 19.905 20.481 3.342) 28.755 8.631 ( 21.861 15.334 -12.784) 29.605 9.003 ( 12.661 3.662 -3.281) 13.582 9.694 ( 10.646 3.747 3.470) 11.807 12.888 ( -2.803 -5.059 -2.663) 6.367 13.531 ( 3.236 -3.059 7.567) 8.780 14.099 ( -7.503 -20.947 -7.139) 23.367 14.469 ( 2.927 4.941 4.617) 7.369 14.778 ( -15.516 13.301 -4.986) 21.037 16.066 ( -11.430 -4.413 1.630) 12.360 ======================= Grid point 796 (287/670) ======================= q-point: ( 0.58 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.450 ( 17.513 1.159 -3.875) 17.974 5.876 ( -0.851 14.127 -2.066) 14.303 6.662 ( 8.530 13.322 2.035) 15.949 8.966 ( 9.980 4.206 -9.639) 14.498 9.180 ( 9.083 3.754 -7.120) 12.136 9.967 ( 11.611 1.758 5.523) 12.978 12.726 ( -6.689 -4.682 -10.337) 13.173 13.539 ( -1.982 -12.132 10.377) 16.087 13.893 ( 8.105 -8.768 -0.961) 11.979 14.570 ( -0.849 4.014 2.559) 4.835 14.652 ( -11.678 16.372 -2.421) 20.256 15.892 ( -6.642 -0.588 3.677) 7.615 ======================= Grid point 797 (288/670) ======================= q-point: (-0.37 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.607 ( 4.679 -5.798 -3.455) 8.213 5.941 ( -5.916 11.740 -2.269) 13.340 6.797 ( -4.538 5.199 1.363) 7.034 9.046 ( 2.947 -0.699 -4.978) 5.827 9.330 ( 7.019 1.616 -11.173) 13.294 10.075 ( -1.145 -5.771 7.295) 9.371 12.511 ( -7.672 -2.736 -13.181) 15.494 13.431 ( 6.414 -14.770 2.523) 16.299 14.083 ( 12.847 -0.565 9.764) 16.146 14.497 ( -9.039 7.153 -2.262) 11.747 14.729 ( -2.365 14.335 3.499) 14.944 15.863 ( 0.106 3.195 5.277) 6.170 ======================= Grid point 798 (289/670) ======================= q-point: (-0.32 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.467 ( -8.821 -12.638 -3.329) 15.767 5.887 ( -11.229 9.169 -1.762) 14.603 6.617 ( -18.263 -2.173 0.867) 18.412 9.035 ( -0.529 -3.459 -5.220) 6.285 9.355 ( 1.627 -1.584 -10.992) 11.224 9.846 ( -17.581 -12.750 8.644) 23.375 12.342 ( -3.950 -0.225 -12.363) 12.980 13.513 ( 16.360 -10.788 1.137) 19.630 14.307 ( 3.434 4.217 3.993) 6.747 14.452 ( 2.111 1.024 5.265) 5.764 14.843 ( -3.816 16.499 2.897) 17.181 16.003 ( 7.823 6.134 6.695) 11.985 ======================= Grid point 799 (290/670) ======================= q-point: (-0.26 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.036 ( -21.526 -17.399 -3.507) 27.900 5.715 ( -17.053 3.153 -2.467) 17.516 6.166 ( -27.642 -4.544 1.745) 28.067 8.877 ( -8.198 -8.706 -8.020) 14.399 9.164 ( -24.857 -13.030 -4.522) 28.427 9.462 ( -5.414 -4.262 5.398) 8.753 12.279 ( 0.507 1.581 -9.829) 9.968 13.754 ( 20.511 -7.268 0.046) 21.761 14.297 ( -4.895 3.335 -0.960) 6.001 14.624 ( 8.741 -0.508 9.474) 12.900 14.948 ( -3.332 15.387 2.366) 15.921 16.292 ( 13.834 8.060 7.152) 17.535 ======================= Grid point 800 (291/670) ======================= q-point: (-0.21 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.377 ( -31.026 -19.307 -4.078) 36.769 5.180 ( -37.156 -13.458 -4.783) 39.807 5.776 ( -18.331 5.179 4.013) 19.466 8.322 ( -42.523 -20.358 -2.240) 47.198 8.582 ( -15.812 -9.556 -4.672) 19.057 9.478 ( 3.364 0.359 0.604) 3.437 12.307 ( 3.788 2.620 -7.511) 8.811 14.040 ( 18.805 -4.894 -1.087) 19.462 14.244 ( -3.284 1.263 0.334) 3.534 14.745 ( 1.042 1.709 5.094) 5.473 15.063 ( 1.064 9.089 3.845) 9.926 16.673 ( 16.943 8.784 6.100) 20.036 ======================= Grid point 801 (292/670) ======================= q-point: (-0.16 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -37.035 -18.545 -4.552) 41.668 4.266 ( -45.768 -18.222 -4.011) 49.426 5.559 ( -15.698 4.733 3.251) 16.715 7.270 ( -53.409 -20.863 0.075) 57.339 8.183 ( -17.098 -9.606 -6.138) 20.549 9.550 ( 3.617 0.673 1.432) 3.947 12.398 ( 6.093 3.256 -5.786) 9.011 14.172 ( 0.431 -3.301 0.519) 3.370 14.322 ( 10.934 2.232 -0.886) 11.194 14.745 ( -2.674 -0.086 1.254) 2.954 15.178 ( 2.470 3.701 4.970) 6.670 17.076 ( 17.225 8.044 3.795) 19.386 ======================= Grid point 802 (293/670) ======================= q-point: (-0.11 0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -39.658 -15.059 -3.426) 42.559 3.267 ( -46.233 -17.949 -1.755) 49.626 5.332 ( -15.553 1.839 1.909) 15.777 6.088 ( -59.398 -20.043 0.809) 62.694 7.758 ( -18.982 -8.139 -6.534) 21.662 9.627 ( 3.502 0.669 3.987) 5.349 12.535 ( 7.943 3.811 -4.400) 9.847 14.141 ( -1.271 -1.234 0.963) 2.016 14.490 ( 3.277 3.883 -0.230) 5.086 14.693 ( 1.294 -4.948 -2.076) 5.520 15.254 ( 1.237 1.123 5.592) 5.836 17.439 ( 15.175 6.104 0.774) 16.375 ======================= Grid point 808 (294/670) ======================= q-point: ( 0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 25.323 15.239) 29.555 1.514 ( 0.000 7.297 30.746) 31.600 2.942 ( 0.000 56.614 10.313) 57.546 4.691 ( -0.000 8.387 -0.993) 8.446 6.043 ( -0.000 39.995 -19.276) 44.398 10.979 ( 0.000 -47.044 37.693) 60.282 13.056 ( -0.000 -15.373 -2.189) 15.528 13.991 ( -0.000 4.756 -0.570) 4.791 14.275 ( -0.000 2.199 -4.140) 4.687 14.796 ( 0.000 -2.950 -0.023) 2.950 15.475 ( 0.000 3.029 11.358) 11.755 17.751 ( -0.000 2.358 -12.889) 13.103 ======================= Grid point 809 (295/670) ======================= q-point: ( 0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 11.941 16.538 25.168) 32.396 1.892 ( 12.837 22.589 15.153) 30.077 3.703 ( 17.503 57.282 4.715) 60.082 4.810 ( 3.312 11.044 -1.710) 11.656 6.482 ( 14.168 31.592 -14.781) 37.646 10.601 ( -10.531 -31.464 28.609) 43.811 12.903 ( 0.424 -13.787 -1.430) 13.867 13.988 ( -4.605 3.040 -5.552) 7.828 14.255 ( -3.678 8.246 -3.037) 9.526 14.755 ( 0.540 -5.563 -0.460) 5.608 15.552 ( 0.332 0.848 11.450) 11.486 17.705 ( -0.696 -3.695 -10.617) 11.263 ======================= Grid point 810 (296/670) ======================= q-point: ( 0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 17.547 14.580 16.969) 28.432 2.560 ( 26.153 31.690 14.160) 43.460 4.659 ( 25.767 50.931 -0.381) 57.079 5.019 ( 7.477 17.390 -2.356) 19.075 6.995 ( 18.712 22.716 -10.851) 31.367 10.241 ( -11.783 -19.688 19.124) 29.870 12.797 ( 2.347 -11.742 0.611) 11.990 13.880 ( -5.369 1.271 -11.947) 13.160 14.277 ( -6.615 12.996 -0.077) 14.583 14.733 ( 4.811 -7.000 -0.056) 8.494 15.559 ( -3.330 -2.934 9.705) 10.672 17.551 ( -6.317 -7.829 -9.049) 13.531 ======================= Grid point 811 (297/670) ======================= q-point: ( 0.37 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 22.149 16.181 8.177) 28.623 3.469 ( 33.592 33.588 13.218) 49.308 5.170 ( 4.616 18.885 -5.468) 20.195 5.784 ( 33.100 47.468 -1.847) 57.899 7.484 ( 19.651 15.796 -8.413) 26.579 9.950 ( -10.121 -12.270 11.244) 19.479 12.756 ( 4.556 -9.856 3.342) 11.361 13.751 ( -4.472 0.079 -14.968) 15.622 14.278 ( -6.122 9.919 1.269) 11.725 14.770 ( 4.089 -3.235 0.981) 5.305 15.455 ( -6.563 -6.068 6.229) 10.895 17.269 ( -12.021 -9.623 -7.743) 17.236 ======================= Grid point 812 (298/670) ======================= q-point: ( 0.42 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 26.144 15.015 1.850) 30.206 4.443 ( 34.119 33.064 10.917) 48.749 5.406 ( 2.915 21.017 -6.238) 22.116 6.812 ( 34.293 41.702 -4.420) 54.172 7.925 ( 19.759 10.532 -7.372) 23.573 9.735 ( -7.223 -7.097 5.957) 11.748 12.777 ( 6.111 -8.390 5.988) 11.983 13.611 ( -3.824 -2.291 -15.197) 15.838 14.293 ( -2.290 6.685 2.823) 7.609 14.760 ( -3.733 -3.993 2.059) 5.841 15.292 ( -6.817 -3.412 0.678) 7.654 16.906 ( -15.240 -9.477 -5.648) 18.814 ======================= Grid point 813 (299/670) ======================= q-point: ( 0.47 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( 28.202 11.949 -2.283) 30.714 5.348 ( 29.135 28.055 8.752) 41.383 5.656 ( 2.700 25.764 -6.378) 26.679 7.726 ( 29.873 32.614 -7.463) 44.852 8.331 ( 20.914 6.266 -6.299) 22.723 9.609 ( -3.321 -2.936 3.296) 5.524 12.830 ( 5.666 -7.467 5.768) 11.005 13.473 ( -1.442 -4.872 -10.046) 11.258 14.349 ( -0.543 4.378 3.424) 5.584 14.544 ( -11.296 -10.914 1.151) 15.749 15.188 ( -6.787 6.280 -3.929) 10.047 16.538 ( -15.052 -7.673 -2.397) 17.064 ======================= Grid point 814 (300/670) ======================= q-point: ( 0.53 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( 27.706 7.762 -4.196) 29.077 5.851 ( 3.700 19.720 -1.782) 20.143 6.156 ( 18.745 30.293 2.638) 35.721 8.389 ( 20.290 19.662 -11.872) 30.647 8.731 ( 20.946 3.562 -3.662) 21.560 9.604 ( 3.534 0.754 2.891) 4.628 12.827 ( 1.106 -7.789 -2.081) 8.138 13.437 ( 5.294 -5.024 4.352) 8.497 14.092 ( -15.695 -16.281 -3.894) 22.947 14.499 ( 2.269 6.341 4.406) 8.048 15.115 ( -10.490 11.471 -5.594) 16.520 16.235 ( -12.297 -4.362 1.007) 13.087 ======================= Grid point 815 (301/670) ======================= q-point: ( 0.58 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 23.034 2.470 -4.444) 23.588 6.061 ( -1.118 20.251 -2.840) 20.480 6.688 ( 10.097 22.476 2.594) 24.776 8.762 ( 13.865 6.870 -12.237) 19.728 9.025 ( 11.237 1.939 -4.172) 12.143 9.777 ( 12.251 0.885 4.051) 12.934 12.710 ( -2.399 -7.419 -8.733) 11.707 13.529 ( -2.671 -10.487 16.685) 19.887 13.692 ( 0.147 -9.999 -7.987) 12.798 14.626 ( 1.555 7.102 4.458) 8.528 15.017 ( -12.317 14.217 -5.446) 19.583 16.039 ( -8.763 -0.154 3.152) 9.314 ======================= Grid point 816 (302/670) ======================= q-point: ( 0.63 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.390 ( 13.016 -4.018 -3.899) 14.169 6.189 ( -5.730 18.992 -2.925) 20.052 6.955 ( -1.744 14.452 1.953) 14.687 8.925 ( 7.102 -1.342 -8.351) 11.045 9.178 ( 7.686 1.541 -7.722) 11.004 9.974 ( 8.460 -5.346 5.598) 11.466 12.553 ( -4.751 -3.771 -11.325) 12.847 13.235 ( -4.633 -17.183 0.205) 17.798 13.887 ( 14.415 -0.883 11.853) 18.683 14.677 ( -5.249 4.934 1.913) 7.454 14.988 ( -6.692 18.137 -2.002) 19.436 15.954 ( -4.397 3.410 4.152) 6.943 ======================= Grid point 817 (303/670) ======================= q-point: (-0.32 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.416 ( -0.136 -10.565 -3.277) 11.062 6.213 ( -11.450 17.114 -2.499) 20.742 6.928 ( -14.387 7.000 1.453) 16.065 8.949 ( 2.878 -5.039 -6.881) 9.001 9.250 ( 4.089 -1.150 -9.060) 10.006 9.952 ( -4.733 -11.491 7.069) 14.298 12.391 ( -6.294 0.376 -11.628) 13.227 13.132 ( 10.956 -14.421 0.078) 18.111 14.179 ( 13.862 0.252 12.075) 18.385 14.589 ( -9.039 4.095 0.175) 9.925 15.096 ( -3.597 18.627 0.659) 18.982 15.994 ( 2.211 5.508 4.920) 7.709 ======================= Grid point 818 (304/670) ======================= q-point: (-0.26 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.158 ( -12.989 -15.215 -2.968) 20.224 6.100 ( -18.766 12.296 -2.094) 22.533 6.630 ( -25.230 3.527 1.517) 25.520 8.850 ( -3.142 -9.922 -8.507) 13.442 9.239 ( -0.454 -2.240 -8.808) 9.099 9.650 ( -17.177 -12.630 8.885) 23.098 12.282 ( -2.960 2.327 -9.137) 9.882 13.294 ( 20.720 -10.134 -0.650) 23.075 14.423 ( 1.835 3.477 3.751) 5.434 14.499 ( 1.962 -0.431 6.808) 7.098 15.200 ( -5.483 16.400 0.544) 17.300 16.181 ( 9.893 6.629 5.366) 13.061 ======================= Grid point 819 (305/670) ======================= q-point: (-0.21 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.662 ( -24.054 -16.581 -3.077) 29.377 5.702 ( -34.011 -2.406 -2.689) 34.202 6.252 ( -24.713 10.678 2.626) 27.050 8.568 ( -12.369 -14.251 -9.862) 21.292 8.910 ( -28.475 -9.578 -1.810) 30.097 9.436 ( 0.284 -2.101 3.706) 4.269 12.264 ( 1.022 2.994 -6.344) 7.089 13.598 ( 23.511 -6.648 -1.917) 24.508 14.350 ( -6.705 2.492 0.241) 7.157 14.683 ( 8.868 -1.627 8.517) 12.402 15.236 ( -6.505 11.858 0.237) 13.528 16.491 ( 15.293 6.859 4.591) 17.378 ======================= Grid point 820 (306/670) ======================= q-point: (-0.16 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( -32.364 -14.629 -3.193) 35.660 4.916 ( -46.259 -9.511 -1.762) 47.259 5.980 ( -22.032 10.932 2.134) 24.688 7.934 ( -41.193 -15.236 -4.417) 44.142 8.375 ( -19.378 -7.355 -3.841) 21.080 9.489 ( 4.201 -0.115 1.755) 4.555 12.321 ( 4.068 3.316 -4.233) 6.742 13.919 ( 19.757 -4.513 -3.473) 20.561 14.290 ( -2.368 2.556 0.963) 3.615 14.781 ( 1.208 -2.638 5.327) 6.066 15.236 ( -3.364 6.136 1.218) 7.103 16.856 ( 17.497 5.731 2.592) 18.594 ======================= Grid point 821 (307/670) ======================= q-point: (-0.11 0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -37.157 -9.662 -2.080) 38.449 3.970 ( -50.614 -9.070 0.694) 51.425 5.697 ( -21.097 5.697 0.635) 21.862 6.936 ( -55.492 -11.719 -1.426) 56.734 7.986 ( -17.635 -5.014 -5.304) 19.085 9.574 ( 4.501 0.085 2.965) 5.390 12.434 ( 6.326 3.706 -2.630) 7.789 14.091 ( 5.738 -2.694 -3.914) 7.450 14.385 ( 9.585 3.315 -0.340) 10.148 14.712 ( -6.288 -4.195 2.781) 8.054 15.260 ( 0.588 1.412 3.092) 3.450 17.210 ( 17.074 3.457 -0.084) 17.421 ======================= Grid point 828 (308/670) ======================= q-point: ( 0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 15.324 23.752) 28.266 2.120 ( 0.000 32.965 12.700) 35.326 4.162 ( -0.000 60.068 2.723) 60.129 4.881 ( -0.000 11.623 -1.781) 11.759 6.639 ( -0.000 32.022 -12.211) 34.271 10.481 ( 0.000 -28.350 23.475) 36.807 12.754 ( -0.000 -13.145 -2.166) 13.322 14.094 ( -0.000 5.768 -0.018) 5.768 14.255 ( -0.000 1.201 -9.089) 9.168 14.734 ( 0.000 -3.147 -0.095) 3.149 15.594 ( 0.000 -0.587 11.295) 11.310 17.631 ( -0.000 -4.974 -10.006) 11.174 ======================= Grid point 829 (309/670) ======================= q-point: ( 0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 9.619 19.656 17.390) 27.951 2.617 ( 12.504 36.242 12.259) 40.251 4.875 ( 11.450 55.857 -0.897) 57.026 5.052 ( 6.691 16.688 -1.988) 18.089 6.972 ( 8.209 26.720 -9.849) 29.637 10.254 ( -5.643 -21.462 17.244) 28.103 12.638 ( 1.872 -11.606 -1.166) 11.814 13.998 ( -9.829 2.982 -7.226) 12.558 14.385 ( 8.659 6.681 -2.875) 11.308 14.648 ( -4.481 -4.583 0.105) 6.411 15.603 ( -1.622 -3.985 9.306) 10.252 17.513 ( -2.572 -7.884 -9.011) 12.246 ======================= Grid point 830 (310/670) ======================= q-point: ( 0.37 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 13.460 21.195 8.934) 26.650 3.367 ( 24.727 38.134 12.734) 47.199 5.258 ( 5.712 18.774 -5.019) 20.256 5.784 ( 22.968 52.360 -2.264) 57.221 7.353 ( 12.200 20.114 -8.086) 24.876 10.009 ( -7.392 -14.969 11.190) 20.098 12.583 ( 4.353 -10.028 0.920) 10.970 13.825 ( -8.786 1.707 -10.791) 14.020 14.485 ( -7.624 4.026 0.749) 8.654 14.632 ( 9.772 0.458 0.319) 9.788 15.515 ( -5.288 -7.318 5.841) 10.753 17.307 ( -7.148 -10.076 -7.910) 14.670 ======================= Grid point 831 (311/670) ======================= q-point: ( 0.42 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 17.003 20.194 2.196) 26.490 4.276 ( 30.121 37.039 11.597) 49.128 5.536 ( 5.404 22.298 -6.799) 23.930 6.699 ( 26.836 45.298 -4.264) 52.823 7.723 ( 13.954 14.196 -7.155) 21.153 9.798 ( -6.579 -9.402 6.563) 13.219 12.593 ( 6.628 -8.871 3.368) 11.575 13.641 ( -7.948 -1.251 -11.927) 14.387 14.409 ( -3.741 1.780 2.790) 4.994 14.777 ( 1.678 2.203 1.881) 3.348 15.349 ( -5.492 -6.159 0.570) 8.272 17.014 ( -11.147 -10.544 -6.196) 16.547 ======================= Grid point 832 (312/670) ======================= q-point: ( 0.47 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( 20.303 16.734 -2.461) 26.425 5.184 ( 28.607 32.455 9.496) 44.293 5.842 ( 4.768 27.640 -7.513) 29.037 7.551 ( 26.766 35.008 -5.744) 44.440 8.060 ( 14.809 8.865 -6.991) 18.622 9.653 ( -4.216 -4.503 3.919) 7.309 12.651 ( 7.617 -8.167 4.581) 12.071 13.443 ( -5.767 -5.235 -9.336) 12.158 14.422 ( -0.147 4.310 4.018) 5.894 14.660 ( -12.195 -8.105 1.616) 14.732 15.284 ( -0.418 4.277 -4.150) 5.974 16.687 ( -12.651 -9.037 -3.449) 15.925 ======================= Grid point 833 (313/670) ======================= q-point: ( 0.53 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 22.654 11.692 -4.778) 25.937 5.898 ( 15.807 23.388 3.385) 28.431 6.242 ( 10.045 34.605 -3.202) 36.175 8.238 ( 18.848 24.267 -9.321) 32.110 8.372 ( 19.567 2.159 -4.628) 20.223 9.596 ( -0.748 -0.652 2.915) 3.080 12.693 ( 4.284 -8.416 0.530) 9.458 13.313 ( 1.787 -7.153 -0.041) 7.373 14.253 ( -18.945 -11.582 -1.764) 22.275 14.540 ( 2.601 6.540 4.181) 8.186 15.313 ( -3.217 8.847 -5.782) 11.048 16.395 ( -11.251 -5.509 -0.078) 12.528 ======================= Grid point 834 (314/670) ======================= q-point: ( 0.58 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.711 ( 22.571 5.680 -5.082) 23.823 6.262 ( 2.764 22.857 -2.706) 23.182 6.779 ( 10.766 30.026 1.976) 31.959 8.560 ( 11.507 5.630 -10.725) 16.707 8.774 ( 18.723 4.245 -3.861) 19.582 9.641 ( 4.991 0.013 3.077) 5.863 12.616 ( -0.605 -9.469 -5.676) 11.057 13.394 ( 11.658 -5.790 11.510) 17.375 13.770 ( -20.551 -11.817 -5.650) 24.370 14.688 ( 2.697 8.893 4.635) 10.385 15.290 ( -7.359 10.237 -6.480) 14.175 16.198 ( -8.498 -0.728 2.447) 8.873 ======================= Grid point 835 (315/670) ======================= q-point: ( 0.63 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( 17.784 -1.110 -4.375) 18.348 6.473 ( -3.336 23.209 -3.417) 23.695 7.157 ( 0.902 22.399 2.316) 22.536 8.724 ( 9.634 -1.948 -9.251) 13.498 9.023 ( 9.921 1.262 -5.274) 11.307 9.767 ( 9.560 -5.239 4.036) 11.624 12.492 ( 0.014 -7.800 -6.993) 10.476 13.292 ( -17.914 -11.049 -3.867) 21.400 13.647 ( 16.102 -3.419 12.230) 20.507 14.809 ( -1.585 7.817 4.027) 8.935 15.252 ( -6.415 13.224 -5.224) 15.599 16.097 ( -6.144 3.127 3.312) 7.648 ======================= Grid point 836 (316/670) ======================= q-point: (-0.32 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.241 ( 7.871 -7.680 -3.518) 11.546 6.583 ( -9.119 22.426 -3.013) 24.396 7.264 ( -10.954 14.902 1.992) 18.602 8.783 ( 6.026 -6.825 -7.951) 12.088 9.134 ( 5.333 -0.203 -6.378) 8.317 9.844 ( 5.650 -11.332 5.242) 13.705 12.419 ( 0.031 -2.157 -7.821) 8.113 12.942 ( -6.713 -10.598 -3.021) 12.904 13.952 ( 16.474 -2.550 12.487) 20.829 14.794 ( -8.387 5.290 1.736) 10.067 15.319 ( -1.988 16.031 -2.003) 16.278 16.071 ( -2.828 4.885 3.427) 6.603 ======================= Grid point 837 (317/670) ======================= q-point: (-0.26 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.160 ( -4.258 -11.924 -2.930) 12.996 6.562 ( -17.036 18.473 -2.233) 25.228 7.108 ( -21.256 10.207 1.746) 23.644 8.729 ( 1.189 -11.083 -8.037) 13.742 9.170 ( 2.638 -0.666 -6.821) 7.343 9.751 ( -5.098 -12.938 6.345) 15.286 12.355 ( -4.878 3.377 -7.697) 9.718 12.884 ( 12.788 -9.903 -1.065) 16.209 14.245 ( 15.009 -2.442 9.987) 18.192 14.674 ( -10.590 3.845 0.945) 11.306 15.436 ( -3.109 14.752 -0.677) 15.091 16.137 ( 3.634 5.101 3.419) 7.135 ======================= Grid point 838 (318/670) ======================= q-point: (-0.21 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.849 ( -15.680 -12.569 -2.768) 20.285 6.277 ( -30.793 6.061 -1.504) 31.420 6.818 ( -24.884 13.563 1.664) 28.389 8.540 ( -4.978 -13.254 -8.347) 16.435 9.131 ( -6.044 -2.209 -7.913) 10.199 9.503 ( -10.193 -8.291 7.942) 15.353 12.293 ( -3.028 4.028 -4.890) 7.022 13.120 ( 22.572 -6.102 -1.754) 23.448 14.483 ( 8.670 -1.534 4.767) 10.013 14.537 ( -5.738 0.757 3.252) 6.639 15.474 ( -7.028 10.690 -0.506) 12.803 16.328 ( 11.234 4.599 2.728) 12.442 ======================= Grid point 839 (319/670) ======================= q-point: (-0.16 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( -25.328 -9.805 -2.776) 27.301 5.637 ( -43.278 -1.942 -0.041) 43.321 6.521 ( -25.793 11.918 0.540) 28.419 8.236 ( -14.087 -10.245 -7.046) 18.790 8.744 ( -27.696 -5.071 -4.017) 28.441 9.431 ( 2.260 -1.300 3.878) 4.673 12.301 ( 0.799 3.922 -2.328) 4.630 13.479 ( 24.129 -3.045 -3.172) 24.526 14.400 ( -7.070 1.843 0.827) 7.353 14.667 ( 8.930 -4.951 4.660) 11.224 15.415 ( -8.629 6.126 -0.162) 10.584 16.614 ( 15.928 2.865 0.972) 16.213 ======================= Grid point 840 (320/670) ======================= q-point: (-0.11 0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( -32.158 -4.301 -2.026) 32.507 4.805 ( -50.043 -1.499 2.601) 50.133 6.153 ( -25.533 3.727 -1.495) 25.847 7.693 ( -40.103 -4.445 -3.675) 40.516 8.249 ( -20.318 -1.880 -4.008) 20.795 9.503 ( 4.617 -0.244 2.777) 5.393 12.378 ( 3.902 4.141 -0.329) 5.700 13.826 ( 18.874 -1.210 -5.596) 19.723 14.340 ( -1.249 1.152 1.092) 2.020 14.726 ( 1.972 -5.455 2.838) 6.458 15.325 ( -5.775 2.154 0.650) 6.198 16.922 ( 17.631 0.077 -1.387) 17.685 ======================= Grid point 848 (321/670) ======================= q-point: ( 0.32 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.000 25.673 14.955) 29.711 2.928 ( 0.000 39.041 9.978) 40.296 5.120 ( -0.000 13.694 -2.220) 13.872 5.364 ( -0.000 59.626 -1.759) 59.652 7.139 ( -0.000 26.058 -8.677) 27.465 10.153 ( 0.000 -19.255 13.733) 23.650 12.505 ( -0.000 -10.345 -1.218) 10.417 14.199 ( -0.000 0.444 -9.509) 9.519 14.219 ( 0.000 6.289 0.903) 6.354 14.668 ( -0.000 -3.322 -0.428) 3.350 15.604 ( 0.000 -5.682 7.467) 9.383 17.417 ( -0.000 -9.162 -8.445) 12.460 ======================= Grid point 849 (322/670) ======================= q-point: ( 0.37 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 5.099 28.042 9.291) 29.978 3.478 ( 13.092 40.842 9.695) 43.971 5.305 ( 5.692 15.362 -3.050) 16.664 6.031 ( 10.293 56.139 -3.540) 57.184 7.396 ( 4.669 22.554 -7.570) 24.245 9.991 ( -3.515 -15.201 9.659) 18.350 12.428 ( 2.532 -8.912 0.056) 9.265 13.996 ( -11.952 2.173 -7.425) 14.238 14.447 ( 9.826 -0.437 0.904) 9.877 14.609 ( -1.523 1.870 -1.150) 2.672 15.531 ( -3.217 -8.164 4.217) 9.736 17.260 ( -3.178 -11.013 -7.660) 13.786 ======================= Grid point 850 (323/670) ======================= q-point: ( 0.42 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 7.277 27.080 2.933) 28.194 4.241 ( 22.892 39.883 9.741) 47.007 5.591 ( 9.123 18.797 -4.982) 21.480 6.772 ( 16.176 47.609 -4.959) 50.526 7.682 ( 7.251 19.046 -6.515) 21.395 9.819 ( -4.557 -10.403 6.103) 12.893 12.415 ( 5.110 -7.902 1.992) 9.619 13.769 ( -12.063 -0.690 -8.157) 14.578 14.451 ( -1.016 -3.752 3.264) 5.076 14.757 ( 6.653 6.939 -0.263) 9.617 15.371 ( -5.442 -8.518 -0.255) 10.111 17.031 ( -6.641 -12.017 -6.409) 15.152 ======================= Grid point 851 (324/670) ======================= q-point: ( 0.47 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 9.739 23.569 -1.922) 25.575 5.084 ( 25.818 35.171 8.439) 44.438 5.951 ( 10.152 24.378 -6.649) 27.232 7.466 ( 19.044 32.832 -4.971) 38.280 7.971 ( 7.824 17.572 -6.466) 20.293 9.687 ( -3.557 -5.208 3.825) 7.376 12.457 ( 7.148 -7.347 3.579) 10.857 13.506 ( -11.084 -5.500 -6.526) 13.989 14.456 ( 1.419 1.678 4.104) 4.655 14.790 ( -8.126 -3.794 0.570) 8.986 15.272 ( 2.358 1.077 -4.900) 5.544 16.757 ( -8.738 -11.123 -4.277) 14.778 ======================= Grid point 852 (325/670) ======================= q-point: ( 0.53 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( 12.694 17.993 -4.665) 22.509 5.841 ( 21.168 27.254 4.645) 34.820 6.387 ( 11.233 31.414 -5.323) 33.784 8.019 ( 19.983 11.719 -2.610) 23.312 8.252 ( 6.971 19.395 -8.552) 22.313 9.625 ( -1.863 -0.706 2.660) 3.323 12.525 ( 6.640 -7.099 2.572) 10.055 13.260 ( -5.697 -9.059 -1.149) 10.763 14.466 ( -17.189 -8.405 -2.263) 19.268 14.566 ( 3.225 5.839 3.819) 7.686 15.363 ( 3.291 6.108 -5.901) 9.108 16.499 ( -8.363 -7.776 -1.306) 11.495 ======================= Grid point 853 (326/670) ======================= q-point: ( 0.58 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( 15.432 11.188 -5.228) 19.765 6.369 ( 10.938 23.153 -1.301) 25.639 6.911 ( 11.748 32.745 -0.474) 34.792 8.348 ( 13.942 -1.077 -3.102) 14.323 8.550 ( 11.344 13.469 -7.723) 19.229 9.616 ( -0.301 0.176 2.136) 2.165 12.516 ( 0.320 -8.076 -2.703) 8.522 13.186 ( 7.127 -8.842 8.133) 13.969 14.022 ( -21.429 -8.064 -5.582) 23.567 14.737 ( 4.444 9.489 4.732) 11.498 15.419 ( -1.101 6.078 -6.885) 9.250 16.320 ( -6.243 -2.584 1.412) 6.902 ======================= Grid point 854 (327/670) ======================= q-point: ( 0.63 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.768 ( 15.707 3.813 -4.459) 16.767 6.709 ( 2.822 23.963 -3.455) 24.374 7.371 ( 4.841 27.536 1.823) 28.017 8.503 ( 9.358 -3.590 -5.704) 11.532 8.816 ( 12.549 2.650 -5.205) 13.842 9.622 ( 2.365 -4.528 2.499) 5.687 12.394 ( -1.433 -8.408 -4.297) 9.551 13.362 ( 15.972 -6.461 11.402) 20.660 13.546 ( -22.213 -6.062 -6.056) 23.808 14.915 ( 1.698 9.906 4.885) 11.174 15.415 ( -2.916 7.282 -6.753) 10.351 16.232 ( -4.832 1.803 2.512) 5.737 ======================= Grid point 855 (328/670) ======================= q-point: ( 0.68 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.997 ( 11.389 -3.039 -3.461) 12.285 6.927 ( -4.150 24.548 -3.303) 25.114 7.608 ( -6.667 20.706 2.323) 21.877 8.564 ( 6.914 -7.636 -6.464) 12.161 8.994 ( 8.902 -0.149 -4.986) 10.204 9.628 ( 6.107 -11.262 3.644) 13.320 12.312 ( 2.656 -5.997 -3.347) 7.363 13.105 ( -19.573 -3.462 -7.054) 21.091 13.654 ( 18.490 -5.516 12.033) 22.740 14.986 ( -5.523 6.738 3.348) 9.334 15.457 ( 0.336 10.789 -4.379) 11.649 16.193 ( -4.253 3.738 2.467) 6.177 ======================= Grid point 856 (329/670) ======================= q-point: (-0.26 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.058 ( 2.919 -7.336 -2.825) 8.385 7.014 ( -12.427 21.798 -2.571) 25.223 7.577 ( -17.443 14.934 2.215) 23.069 8.537 ( 3.994 -11.983 -6.405) 14.162 9.087 ( 4.400 0.398 -5.555) 7.098 9.627 ( 5.474 -13.292 4.565) 15.082 12.350 ( 6.524 -0.949 -2.529) 7.061 12.775 ( -11.021 -3.063 -5.016) 12.490 13.959 ( 17.788 -5.089 9.036) 20.590 14.904 ( -10.391 4.100 1.712) 11.301 15.579 ( 1.057 11.185 -2.153) 11.439 16.181 ( -1.996 3.613 2.182) 4.669 ======================= Grid point 857 (330/670) ======================= q-point: (-0.21 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.934 ( -7.168 -7.629 -2.683) 10.807 6.849 ( -25.783 10.451 -1.603) 27.867 7.377 ( -22.505 14.674 1.506) 26.909 8.423 ( 0.358 -12.439 -5.905) 13.775 9.122 ( 1.259 1.105 -6.695) 6.901 9.561 ( -2.240 -9.996 5.459) 11.607 12.406 ( -4.472 5.451 -2.334) 7.427 12.722 ( 13.772 -5.027 -2.326) 14.845 14.224 ( 15.627 -5.439 5.331) 17.384 14.747 ( -11.625 2.357 1.372) 11.940 15.658 ( -3.151 8.052 -1.450) 8.767 16.233 ( 4.322 2.345 1.530) 5.150 ======================= Grid point 858 (331/670) ======================= q-point: (-0.16 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.652 ( -16.926 -4.352 -2.835) 17.705 6.343 ( -37.628 1.882 0.092) 37.675 7.079 ( -26.384 7.841 -0.745) 27.535 8.288 ( -3.964 -3.847 -4.084) 6.870 9.041 ( -11.317 -0.206 -8.640) 14.240 9.436 ( -3.420 -4.235 6.774) 8.690 12.364 ( -3.838 4.862 -0.208) 6.198 13.029 ( 23.462 -1.461 -2.366) 23.626 14.427 ( 12.687 -6.098 1.621) 14.169 14.576 ( -10.116 0.891 1.556) 10.274 15.613 ( -7.850 3.781 -0.825) 8.752 16.389 ( 11.401 0.142 -0.105) 11.403 ======================= Grid point 859 (332/670) ======================= q-point: (-0.11 0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( -25.150 1.282 -2.612) 25.318 5.645 ( -44.611 1.860 2.770) 44.736 6.616 ( -28.046 -3.043 -3.332) 28.407 8.150 ( -14.713 6.425 -2.105) 16.192 8.645 ( -26.880 -0.801 -6.571) 27.683 9.443 ( 2.946 -0.611 4.157) 5.132 12.386 ( 0.418 4.782 2.114) 5.245 13.430 ( 23.548 0.759 -4.085) 23.911 14.427 ( -6.858 -0.126 1.151) 6.955 14.564 ( 9.200 -6.616 -0.399) 11.339 15.479 ( -9.117 0.356 -0.127) 9.125 16.608 ( 15.606 -3.035 -2.277) 16.061 ======================= Grid point 868 (333/670) ======================= q-point: ( 0.37 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( 0.000 32.454 7.859) 33.392 3.804 ( 0.000 41.476 6.892) 42.044 5.389 ( -0.000 14.681 -1.781) 14.789 6.489 ( -0.000 54.570 -4.913) 54.791 7.558 ( -0.000 22.580 -6.902) 23.611 9.909 ( 0.000 -13.272 7.305) 15.150 12.325 ( 0.000 -7.551 0.571) 7.572 14.132 ( -0.000 -1.041 -6.534) 6.617 14.351 ( 0.000 5.058 2.691) 5.730 14.598 ( -0.000 -2.526 -1.781) 3.091 15.486 ( 0.000 -9.011 1.367) 9.114 17.142 ( -0.000 -12.425 -7.187) 14.354 ======================= Grid point 869 (334/670) ======================= q-point: ( 0.42 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 0.495 32.431 3.701) 32.646 4.356 ( 13.174 39.962 6.295) 42.546 5.598 ( 7.255 16.154 -2.095) 17.832 7.036 ( 6.059 46.199 -6.327) 47.022 7.786 ( 2.746 23.187 -5.583) 24.007 9.796 ( -2.042 -9.606 4.896) 10.973 12.282 ( 2.637 -6.629 1.907) 7.385 13.957 ( -12.699 -1.806 -4.837) 13.709 14.423 ( 1.162 -2.724 4.142) 5.092 14.670 ( 9.104 4.476 -2.422) 10.430 15.360 ( -3.678 -9.074 -2.273) 10.051 16.960 ( -2.870 -13.582 -6.389) 15.281 ======================= Grid point 870 (335/670) ======================= q-point: ( 0.47 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.852 ( 0.801 29.394 -0.695) 29.414 5.057 ( 20.672 34.490 5.655) 40.606 5.943 ( 12.868 20.181 -3.291) 24.160 7.525 ( 8.506 29.829 -6.114) 31.615 8.072 ( 3.746 26.036 -4.853) 26.748 9.701 ( -2.159 -4.339 3.124) 5.766 12.295 ( 5.095 -6.269 3.294) 8.724 13.657 ( -14.870 -6.320 -3.267) 16.485 14.447 ( 2.454 0.472 4.385) 5.047 14.829 ( 2.035 0.041 -1.350) 2.443 15.214 ( -0.243 -3.474 -6.167) 7.082 16.734 ( -4.798 -13.261 -4.856) 14.915 ======================= Grid point 871 (336/670) ======================= q-point: ( 0.53 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 2.147 24.087 -3.547) 24.441 5.752 ( 21.697 26.130 3.094) 34.104 6.415 ( 16.266 26.038 -3.388) 30.887 7.878 ( 9.684 13.945 -3.035) 17.247 8.362 ( 2.433 23.509 -5.897) 24.359 9.665 ( -1.597 1.163 1.949) 2.775 12.353 ( 6.791 -5.939 3.530) 9.688 13.322 ( -12.573 -10.331 -0.015) 16.273 14.555 ( 4.150 3.795 4.668) 7.308 14.659 ( -12.511 -4.886 -4.809) 14.266 15.288 ( 7.577 3.191 -6.309) 10.363 16.514 ( -4.734 -10.398 -2.396) 11.674 ======================= Grid point 872 (337/670) ======================= q-point: ( 0.58 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.385 ( 4.757 17.236 -4.405) 18.415 6.333 ( 18.058 20.747 -0.803) 27.517 6.975 ( 16.820 28.722 -1.564) 33.322 8.128 ( 9.867 3.621 -0.193) 10.513 8.564 ( 1.666 14.803 -6.288) 16.169 9.661 ( -2.546 2.487 1.035) 3.707 12.410 ( 4.030 -5.322 0.340) 6.684 13.068 ( -3.096 -12.131 6.191) 13.967 14.283 ( -18.708 -5.242 -6.993) 20.648 14.757 ( 6.193 9.311 4.680) 12.123 15.402 ( 4.643 2.169 -6.962) 8.645 16.364 ( -2.894 -5.187 0.237) 5.945 ======================= Grid point 873 (338/670) ======================= q-point: ( 0.63 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( 7.611 9.659 -3.756) 12.858 6.793 ( 12.453 20.633 -3.047) 24.292 7.513 ( 12.177 26.988 0.223) 29.609 8.291 ( 8.794 -3.150 0.176) 9.343 8.686 ( 3.672 5.913 -5.425) 8.825 9.611 ( -3.954 -2.255 0.883) 4.637 12.350 ( -3.030 -5.830 -3.206) 7.311 13.073 ( 12.062 -10.169 11.306) 19.410 13.862 ( -21.770 -2.632 -7.804) 23.276 14.980 ( 5.004 10.687 5.219) 12.903 15.443 ( 1.768 1.798 -7.254) 7.679 16.305 ( -1.671 -0.388 1.554) 2.315 ======================= Grid point 874 (339/670) ======================= q-point: ( 0.68 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( 8.422 2.607 -2.714) 9.224 7.154 ( 5.318 22.839 -3.213) 23.669 7.885 ( 1.255 21.015 1.731) 21.124 8.375 ( 5.645 -4.582 -1.937) 7.524 8.792 ( 9.105 -1.635 -4.259) 10.184 9.498 ( -2.328 -8.980 1.680) 9.428 12.232 ( -1.556 -5.032 -2.264) 5.733 13.299 ( 17.382 -7.299 7.932) 20.453 13.437 ( -21.174 -0.831 -4.785) 21.724 15.135 ( -1.397 7.670 4.554) 9.028 15.485 ( 3.358 4.966 -5.810) 8.348 16.289 ( -2.277 1.829 1.590) 3.325 ======================= Grid point 875 (340/670) ======================= q-point: (-0.26 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( 5.619 -1.860 -2.098) 6.279 7.386 ( -5.068 22.954 -2.581) 23.648 7.983 ( -8.531 12.384 2.662) 15.271 8.352 ( -0.558 -7.615 -3.649) 8.463 8.947 ( 11.160 -0.643 -4.638) 12.103 9.406 ( 4.035 -12.299 3.075) 13.304 12.210 ( 4.487 -2.563 -0.609) 5.203 13.041 ( -20.062 1.912 -6.280) 21.109 13.603 ( 19.643 -7.180 7.914) 22.361 15.112 ( -8.028 3.271 2.242) 8.954 15.610 ( 4.572 7.139 -2.930) 8.970 16.266 ( -3.116 1.839 1.309) 3.848 ======================= Grid point 876 (341/670) ======================= q-point: (-0.21 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.938 ( -0.505 -2.181 -2.106) 3.074 7.343 ( -19.567 10.668 -2.083) 22.383 7.895 ( -19.790 13.903 2.066) 24.273 8.240 ( 4.667 -11.711 -3.108) 12.984 9.078 ( 4.107 3.483 -5.987) 8.052 9.423 ( 7.702 -9.487 4.037) 12.870 12.339 ( 11.522 0.451 0.912) 11.567 12.741 ( -14.825 2.844 -3.756) 15.556 13.885 ( 18.237 -7.053 3.476) 19.860 14.971 ( -11.043 1.119 1.605) 11.215 15.722 ( 1.903 4.644 -2.203) 5.481 16.236 ( -1.743 0.413 1.023) 2.063 ======================= Grid point 877 (342/670) ======================= q-point: (-0.16 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.845 ( -8.561 1.183 -2.541) 9.008 6.945 ( -30.048 0.444 -1.133) 30.073 7.553 ( -24.893 -2.611 -1.131) 25.055 8.297 ( 2.795 6.928 -0.371) 7.480 9.119 ( -1.159 4.272 -7.708) 8.888 9.451 ( 0.903 -4.719 4.897) 6.861 12.530 ( -6.966 6.138 3.452) 9.906 12.650 ( 16.400 -0.032 -2.992) 16.671 14.112 ( 15.753 -7.284 -0.847) 17.376 14.781 ( -11.750 -0.228 1.635) 11.865 15.730 ( -3.309 0.366 -1.971) 3.869 16.244 ( 3.848 -1.925 0.046) 4.303 ======================= Grid point 878 (343/670) ======================= q-point: (-0.11 0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.651 ( -16.932 6.532 -2.891) 18.377 6.365 ( -35.823 -0.303 0.949) 35.837 7.018 ( -27.542 -10.670 -3.038) 29.693 8.405 ( -4.062 14.891 0.520) 15.444 9.004 ( -15.144 3.763 -10.020) 18.545 9.431 ( -0.363 -1.239 6.100) 6.235 12.481 ( -4.269 5.292 4.180) 7.981 13.026 ( 23.048 2.728 -1.754) 23.275 14.279 ( 13.181 -7.317 -4.375) 15.698 14.587 ( -10.248 -1.055 1.799) 10.458 15.610 ( -7.360 -3.432 -1.280) 8.221 16.330 ( 10.173 -5.081 -1.900) 11.529 ======================= Grid point 888 (344/670) ======================= q-point: ( 0.42 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 0.000 33.599 3.126) 33.744 4.643 ( 0.000 37.151 3.519) 37.317 5.687 ( -0.000 16.465 -0.302) 16.467 7.385 ( -0.000 37.064 -7.815) 37.879 8.003 ( -0.000 28.607 -3.824) 28.861 9.745 ( 0.000 -6.611 3.386) 7.428 12.206 ( 0.000 -5.811 2.714) 6.413 14.051 ( -0.000 -4.250 -1.820) 4.624 14.402 ( 0.000 -3.964 4.188) 5.767 14.593 ( -0.000 5.238 -3.180) 6.128 15.292 ( -0.000 -8.223 -5.098) 9.675 16.817 ( -0.000 -14.861 -6.100) 16.064 ======================= Grid point 889 (345/670) ======================= q-point: ( 0.47 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.186 ( -2.887 31.292 0.570) 31.430 5.107 ( 12.205 30.166 2.448) 32.633 5.939 ( 8.562 19.614 0.007) 21.401 7.684 ( 2.390 24.340 -7.242) 25.507 8.307 ( 0.901 30.762 -2.884) 30.910 9.707 ( -0.739 -0.804 2.046) 2.319 12.184 ( 2.497 -5.702 3.774) 7.279 13.843 ( -14.359 -7.640 -0.369) 16.269 14.409 ( 3.707 -2.314 4.154) 6.029 14.732 ( 7.858 3.517 -2.496) 8.964 15.171 ( -2.253 -5.024 -7.887) 9.619 16.628 ( -1.711 -14.946 -5.169) 15.907 ======================= Grid point 890 (346/670) ======================= q-point: ( 0.53 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -4.336 26.782 -1.786) 27.189 5.642 ( 18.630 20.963 1.058) 28.065 6.366 ( 15.521 23.186 -0.160) 27.902 7.911 ( 3.398 15.909 -4.063) 16.768 8.571 ( -0.953 22.860 -3.109) 23.090 9.727 ( -1.105 6.303 0.870) 6.458 12.206 ( 4.990 -5.770 4.333) 8.773 13.473 ( -16.461 -11.010 1.273) 19.845 14.512 ( 6.159 1.123 4.524) 7.724 14.766 ( -5.102 -1.003 -5.294) 7.420 15.147 ( 6.624 0.738 -7.644) 10.141 16.441 ( -1.552 -12.607 -3.245) 13.110 ======================= Grid point 891 (347/670) ======================= q-point: ( 0.58 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -4.026 20.639 -2.654) 21.195 6.166 ( 20.976 15.338 -0.906) 26.002 6.903 ( 19.330 22.615 -0.209) 29.751 8.089 ( 3.221 9.596 -0.443) 10.132 8.705 ( -2.631 13.357 -2.957) 13.931 9.768 ( -3.889 7.997 -0.233) 8.896 12.271 ( 6.650 -4.758 3.141) 8.759 13.102 ( -12.648 -12.942 4.234) 18.585 14.486 ( -11.536 -3.542 -6.310) 13.617 14.755 ( 5.441 9.095 3.099) 11.042 15.264 ( 8.243 -0.870 -7.130) 10.933 16.319 ( 0.389 -7.636 -0.842) 7.692 ======================= Grid point 892 (348/670) ======================= q-point: ( 0.63 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( -1.909 13.574 -2.148) 13.875 6.665 ( 20.493 13.800 -2.210) 24.805 7.458 ( 20.190 19.318 -0.376) 27.945 8.201 ( 1.820 3.079 2.114) 4.155 8.746 ( -3.001 7.518 -2.484) 8.467 9.718 ( -8.162 2.647 -0.630) 8.604 12.327 ( 1.468 -2.350 -1.539) 3.169 12.871 ( 0.557 -13.453 9.549) 16.506 14.169 ( -18.448 -0.194 -8.248) 20.209 14.995 ( 7.586 10.565 5.050) 13.952 15.341 ( 6.083 -2.552 -7.186) 9.754 16.292 ( 1.874 -2.662 0.546) 3.301 ======================= Grid point 893 (349/670) ======================= q-point: ( 0.68 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.759 ( 1.087 6.757 -1.163) 6.942 7.131 ( 17.899 14.851 -2.284) 23.370 7.951 ( 14.028 15.560 -0.932) 20.971 8.242 ( 4.085 -2.469 3.200) 5.747 8.735 ( -3.483 2.794 -1.964) 4.878 9.544 ( -10.071 -4.085 -0.234) 10.870 12.248 ( -4.982 -1.809 -2.774) 5.982 12.947 ( 15.508 -10.544 9.906) 21.209 13.801 ( -21.494 2.178 -7.195) 22.770 15.216 ( 2.913 7.343 5.009) 9.353 15.399 ( 6.775 0.402 -6.080) 9.112 16.311 ( 1.148 -0.231 0.654) 1.341 ======================= Grid point 894 (350/670) ======================= q-point: (-0.26 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( 3.201 2.293 -0.591) 3.981 7.554 ( 12.095 18.173 -1.687) 21.894 8.033 ( -3.931 -6.608 0.782) 7.728 8.498 ( 4.848 16.762 1.866) 17.548 8.666 ( 4.752 -8.927 -2.747) 10.479 9.335 ( -6.213 -6.573 0.432) 9.055 12.166 ( -1.473 -0.358 -0.834) 1.730 13.189 ( 17.709 -8.400 4.382) 20.084 13.437 ( -20.048 3.818 -3.375) 20.686 15.242 ( -3.579 0.026 1.149) 3.760 15.556 ( 7.174 5.418 -1.509) 9.116 16.316 ( -0.932 -0.108 0.394) 1.017 ======================= Grid point 895 (351/670) ======================= q-point: (-0.21 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.909 ( 2.693 1.904 -0.739) 3.380 7.718 ( -15.365 5.060 -1.580) 16.254 7.992 ( 12.958 -3.902 0.281) 13.536 8.343 ( -18.693 2.102 1.429) 18.864 8.951 ( 15.792 6.849 -3.669) 17.600 9.242 ( 2.051 -5.128 1.932) 5.851 12.202 ( 5.119 1.801 0.658) 5.467 13.070 ( -18.504 3.699 -2.775) 19.073 13.499 ( 18.254 -6.460 2.331) 19.503 15.139 ( -7.413 -1.805 0.872) 7.679 15.693 ( 4.061 2.577 -1.151) 4.946 16.277 ( -2.642 -1.416 0.295) 3.012 ======================= Grid point 896 (352/670) ======================= q-point: (-0.16 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.954 ( -1.332 5.205 -1.436) 5.561 7.353 ( -21.315 -7.889 -1.903) 22.808 7.838 ( -17.542 -14.341 -0.365) 22.661 8.362 ( 3.985 17.789 1.928) 18.331 9.150 ( 1.082 8.240 -6.431) 10.508 9.338 ( 9.620 -1.525 3.894) 10.490 12.384 ( 12.319 3.598 0.704) 12.853 12.817 ( -14.938 4.913 1.924) 15.842 13.743 ( 17.320 -6.803 -2.769) 18.813 14.967 ( -10.055 -2.620 1.341) 10.477 15.728 ( 0.426 -2.457 -1.997) 3.195 16.210 ( -1.987 -3.449 0.267) 3.989 ======================= Grid point 897 (353/670) ======================= q-point: (-0.11 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( -8.196 10.187 -2.265) 13.270 6.850 ( -25.357 -9.045 -1.735) 26.978 7.334 ( -23.690 -13.647 -0.300) 27.341 8.598 ( 1.145 17.432 1.207) 17.511 9.179 ( -3.921 7.616 -8.287) 11.919 9.455 ( 1.224 1.783 4.654) 5.132 12.643 ( 0.387 4.835 -3.584) 6.030 12.728 ( 8.676 5.367 9.703) 14.079 13.937 ( 15.124 -6.632 -7.123) 17.985 14.763 ( -10.782 -2.784 1.855) 11.289 15.641 ( -3.563 -7.524 -2.511) 8.696 16.162 ( 2.316 -5.869 -0.427) 6.324 ======================= Grid point 908 (354/670) ======================= q-point: ( 0.47 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( -0.000 29.007 0.804) 29.018 5.270 ( -0.000 22.882 0.593) 22.889 6.070 ( 0.000 21.831 1.340) 21.872 7.855 ( -0.000 19.145 -6.303) 20.156 8.591 ( -0.000 26.796 -1.656) 26.848 9.744 ( 0.000 6.717 0.871) 6.773 12.121 ( 0.000 -5.952 4.575) 7.507 13.923 ( 0.000 -8.679 1.691) 8.842 14.306 ( 0.000 -6.914 2.510) 7.356 14.705 ( -0.000 6.591 -1.747) 6.818 15.118 ( -0.000 -2.818 -9.594) 9.999 16.468 ( -0.000 -15.452 -4.880) 16.204 ======================= Grid point 909 (355/670) ======================= q-point: ( 0.53 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.754 ( -4.639 24.794 -0.081) 25.224 5.559 ( 11.038 14.904 0.152) 18.547 6.379 ( 8.916 22.462 1.138) 24.193 8.018 ( 1.028 15.355 -3.435) 15.768 8.789 ( -1.588 16.054 -1.036) 16.166 9.850 ( -1.016 14.895 -0.284) 14.932 12.098 ( 2.556 -6.576 5.161) 8.741 13.659 ( -16.044 -10.770 1.904) 19.417 14.371 ( 10.112 -4.287 3.056) 11.401 14.786 ( 1.714 4.333 -2.771) 5.421 15.060 ( 0.148 0.521 -10.122) 10.136 16.304 ( 0.296 -13.584 -3.530) 14.038 ======================= Grid point 910 (356/670) ======================= q-point: ( 0.58 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.868 ( -7.286 19.438 -0.525) 20.765 5.940 ( 18.456 9.934 -0.338) 20.963 6.803 ( 15.234 18.515 0.483) 23.981 8.165 ( 0.838 11.454 0.059) 11.485 8.862 ( -3.006 8.370 -0.496) 8.907 9.958 ( -4.944 15.000 -1.266) 15.844 12.123 ( 5.706 -6.174 4.947) 9.754 13.258 ( -17.306 -11.287 2.610) 20.826 14.504 ( 4.913 -2.635 0.015) 5.575 14.810 ( -1.208 7.782 -2.547) 8.277 15.084 ( 6.255 -1.462 -8.279) 10.479 16.203 ( 2.511 -8.885 -1.452) 9.346 ======================= Grid point 911 (357/670) ======================= q-point: ( 0.63 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( -7.790 13.150 -0.010) 15.284 6.383 ( 22.580 7.695 -0.769) 23.867 7.259 ( 19.409 12.209 -0.287) 22.931 8.263 ( -0.995 6.704 2.873) 7.361 8.869 ( -3.508 5.145 0.120) 6.229 9.935 ( -10.686 8.109 -1.676) 13.519 12.212 ( 8.054 -3.335 2.749) 9.141 12.889 ( -13.032 -11.013 4.594) 17.670 14.410 ( -11.156 0.895 -6.628) 13.007 14.977 ( 7.881 10.075 3.605) 13.290 15.148 ( 7.916 -4.837 -7.258) 11.778 16.201 ( 4.461 -3.879 -0.176) 5.914 ======================= Grid point 912 (358/670) ======================= q-point: ( 0.68 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.876 ( -5.888 6.844 0.895) 9.073 6.858 ( 23.967 6.811 -0.458) 24.921 7.708 ( 22.218 5.820 -1.364) 23.008 8.275 ( -4.105 1.625 4.206) 6.098 8.850 ( -4.094 3.834 1.046) 5.706 9.749 ( -14.729 1.234 -1.492) 14.856 12.305 ( 0.495 2.097 -2.908) 3.620 12.685 ( 2.553 -11.867 9.000) 15.111 14.149 ( -17.879 3.676 -6.736) 19.456 15.186 ( 6.425 -4.082 -2.502) 8.012 15.259 ( 9.309 8.110 1.423) 12.428 16.255 ( 4.178 -1.358 -0.148) 4.396 ======================= Grid point 913 (359/670) ======================= q-point: (-0.26 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.855 ( -1.902 2.566 1.417) 3.494 7.328 ( 23.055 4.587 0.729) 23.518 8.080 ( 9.337 1.060 -2.747) 9.790 8.223 ( 5.966 -4.727 3.426) 8.347 8.811 ( -6.046 4.916 2.871) 8.304 9.482 ( -14.262 -0.663 -1.347) 14.341 12.245 ( -6.244 3.541 -2.040) 7.462 12.807 ( 16.807 -9.288 5.829) 20.067 13.834 ( -20.759 5.388 -4.431) 21.900 15.208 ( 3.781 -6.125 -2.991) 7.795 15.499 ( 6.895 7.675 3.148) 10.787 16.298 ( 2.001 -1.225 -0.488) 2.397 ======================= Grid point 914 (360/670) ======================= q-point: (-0.21 -0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.886 ( 2.328 2.178 1.190) 3.403 7.671 ( 13.494 -11.867 2.497) 18.143 7.998 ( -8.318 7.283 -0.355) 11.061 8.388 ( 9.949 -13.929 -2.409) 17.286 8.853 ( 3.240 13.406 4.660) 14.558 9.286 ( -7.922 2.381 -1.750) 8.455 12.210 ( -1.796 5.145 0.215) 5.454 13.035 ( 16.532 -8.454 -0.263) 18.570 13.533 ( -18.720 7.072 -0.295) 20.014 15.168 ( -0.324 -6.488 -1.568) 6.683 15.655 ( 3.360 3.379 2.080) 5.199 16.288 ( -0.843 -2.543 -0.591) 2.743 ======================= Grid point 915 (361/670) ======================= q-point: (-0.16 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.984 ( 3.852 5.448 0.317) 6.679 7.486 ( -9.886 -19.490 0.638) 21.863 7.906 ( -7.913 -13.110 -0.388) 15.318 8.456 ( 5.866 11.588 0.511) 12.999 9.158 ( 12.912 9.150 3.437) 16.195 9.234 ( -2.622 6.308 -3.276) 7.576 12.295 ( 4.376 7.026 0.934) 8.330 13.081 ( -5.498 -3.346 -1.297) 6.566 13.449 ( 4.853 2.859 0.223) 5.637 15.056 ( -4.487 -6.473 -0.234) 7.879 15.691 ( -0.322 -2.511 0.390) 2.562 16.216 ( -2.897 -4.482 -0.314) 5.346 ======================= Grid point 916 (362/670) ======================= q-point: (-0.11 0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( 0.778 10.267 -0.847) 10.331 7.060 ( -16.361 -18.313 -1.283) 24.591 7.536 ( -15.542 -15.755 0.506) 22.136 8.709 ( 5.195 14.618 0.551) 15.523 9.259 ( -0.162 5.819 -3.363) 6.722 9.448 ( 7.060 9.738 1.824) 12.166 12.503 ( 10.167 8.640 -1.081) 13.386 12.923 ( -9.432 0.791 6.567) 11.520 13.615 ( 12.028 -1.071 -5.755) 13.377 14.891 ( -7.433 -5.711 0.933) 9.420 15.599 ( -3.332 -8.919 -1.429) 9.628 16.110 ( -2.597 -6.336 0.109) 6.849 ======================= Grid point 928 (363/670) ======================= q-point: ( 0.53 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.024 ( -0.000 19.861 0.981) 19.885 5.584 ( -0.000 9.778 0.131) 9.779 6.520 ( -0.000 19.952 0.823) 19.969 8.147 ( -0.000 13.545 -0.976) 13.581 8.919 ( -0.000 7.846 0.036) 7.847 10.043 ( -0.000 20.483 -1.153) 20.516 12.025 ( 0.000 -7.710 5.749) 9.617 13.746 ( 0.000 -9.531 1.850) 9.709 14.191 ( 0.000 -5.953 2.056) 6.299 14.806 ( -0.000 4.638 -1.748) 4.957 15.042 ( -0.000 2.704 -11.194) 11.516 16.155 ( -0.000 -12.079 -2.707) 12.379 ======================= Grid point 929 (364/670) ======================= q-point: ( 0.58 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.154 ( -5.057 14.347 1.442) 15.281 5.759 ( 10.863 5.943 0.345) 12.387 6.765 ( 7.937 13.940 0.093) 16.041 8.273 ( 0.092 10.522 2.280) 10.767 8.961 ( -1.524 3.720 0.626) 4.069 10.201 ( -4.087 17.150 -1.835) 17.726 11.996 ( 3.263 -7.551 5.842) 10.090 13.475 ( -17.122 -8.013 1.476) 18.962 14.304 ( 13.125 -3.606 1.842) 13.735 14.861 ( 2.075 4.296 -2.033) 5.186 15.012 ( -1.616 2.419 -11.244) 11.615 16.067 ( 2.418 -7.481 -0.979) 7.923 ======================= Grid point 930 (365/670) ======================= q-point: ( 0.63 0.53 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.157 ( -8.224 8.383 2.064) 11.923 6.070 ( 19.129 3.623 0.503) 19.476 7.056 ( 14.052 6.093 -0.725) 15.334 8.365 ( -1.167 6.333 5.065) 8.193 8.959 ( -2.329 2.250 1.279) 3.481 10.200 ( -10.012 8.186 -2.217) 13.121 12.044 ( 7.358 -5.015 5.009) 10.217 13.097 ( -18.291 -5.638 1.618) 19.209 14.465 ( 4.770 -0.356 -1.213) 4.935 14.963 ( 3.845 -3.612 -7.714) 9.346 14.975 ( 3.393 8.842 -1.635) 9.611 16.082 ( 4.761 -2.461 -0.011) 5.359 ======================= Grid point 931 (366/670) ======================= q-point: (-0.32 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.067 ( -8.903 2.349 2.852) 9.639 6.480 ( 24.100 2.120 1.051) 24.216 7.361 ( 19.019 -1.391 -1.671) 19.143 8.386 ( -3.809 1.790 6.314) 7.588 8.941 ( -2.632 1.573 2.273) 3.817 10.017 ( -14.365 0.642 -2.113) 14.534 12.184 ( 10.539 -1.495 2.595) 10.956 12.767 ( -15.181 -3.173 2.630) 15.730 14.415 ( -10.019 3.810 -4.894) 11.783 14.970 ( 7.328 -7.029 -6.078) 11.834 15.206 ( 9.562 9.322 3.197) 13.731 16.160 ( 5.081 -0.006 -0.318) 5.091 ======================= Grid point 932 (367/670) ======================= q-point: (-0.26 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.944 ( -6.064 -1.839 3.316) 7.152 6.927 ( 25.184 -1.084 2.223) 25.305 7.668 ( 22.396 -7.524 -2.676) 23.777 8.314 ( -7.041 -1.777 5.498) 9.108 8.922 ( -2.410 1.550 3.879) 4.822 9.741 ( -15.213 -1.014 -2.002) 15.378 12.365 ( 5.511 5.322 -3.154) 8.285 12.559 ( -3.390 -5.222 6.409) 8.935 14.205 ( -16.945 5.831 -4.152) 18.396 15.009 ( 7.848 -8.413 -4.345) 12.299 15.467 ( 8.171 7.679 4.387) 12.041 16.235 ( 3.453 -0.009 -0.935) 3.578 ======================= Grid point 933 (368/670) ======================= q-point: (-0.21 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.876 ( -0.047 -2.256 3.109) 3.842 7.281 ( 19.266 -11.566 3.243) 22.704 7.943 ( 19.886 -14.923 -1.843) 24.931 8.181 ( -6.248 2.468 1.679) 6.924 8.939 ( 0.285 3.524 6.043) 7.001 9.497 ( -11.956 2.694 -2.489) 12.506 12.366 ( -7.651 9.662 -0.375) 12.330 12.672 ( 15.566 -6.540 0.793) 16.903 13.941 ( -19.220 7.153 -1.032) 20.534 15.025 ( 5.572 -9.340 -3.100) 11.309 15.650 ( 3.820 3.994 4.152) 6.913 16.261 ( 0.633 -1.476 -1.185) 1.995 ======================= Grid point 934 (369/670) ======================= q-point: (-0.16 -0.47 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.934 ( 6.156 0.996 2.205) 6.614 7.325 ( 4.352 -22.445 2.940) 23.051 7.837 ( -2.789 -22.082 -0.104) 22.258 8.381 ( 13.276 11.707 -1.409) 17.757 9.073 ( 7.205 4.674 7.012) 11.087 9.381 ( -5.810 7.491 -3.610) 10.144 12.379 ( -2.868 11.149 1.658) 11.631 12.858 ( 13.337 -6.868 -5.343) 15.925 13.707 ( -16.479 8.945 3.608) 19.094 14.986 ( 2.105 -9.817 -1.987) 10.235 15.699 ( -1.402 -1.254 3.045) 3.579 16.216 ( -2.351 -3.544 -0.887) 4.345 ======================= Grid point 948 (370/670) ======================= q-point: ( 0.58 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.319 ( 0.000 7.857 2.912) 8.379 5.707 ( 0.000 2.859 0.654) 2.933 6.803 ( -0.000 7.137 -0.552) 7.159 8.380 ( 0.000 7.803 5.345) 9.458 9.002 ( 0.000 1.632 1.203) 2.028 10.381 ( -0.000 11.176 -2.381) 11.426 11.915 ( 0.000 -6.762 6.043) 9.069 13.612 ( 0.000 -4.048 0.865) 4.139 14.115 ( 0.000 -2.917 1.977) 3.524 14.857 ( -0.000 1.902 -2.190) 2.900 15.025 ( -0.000 3.686 -12.036) 12.588 15.990 ( 0.000 -2.681 0.482) 2.724 ======================= Grid point 949 (371/670) ======================= q-point: (-0.37 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.333 ( -4.849 1.300 3.677) 6.223 5.826 ( 11.255 0.494 1.053) 11.315 6.893 ( 7.224 -1.136 -1.223) 7.414 8.459 ( -0.810 3.778 8.047) 8.926 9.009 ( -1.152 0.853 1.891) 2.373 10.380 ( -5.735 0.466 -2.831) 6.413 11.919 ( 3.974 -3.361 5.495) 7.568 13.394 ( -17.947 -0.504 0.789) 17.972 14.271 ( 13.943 -0.932 1.450) 14.049 14.880 ( 1.690 -0.343 -3.938) 4.299 15.006 ( -0.230 5.003 -9.166) 10.445 16.017 ( 2.383 2.499 1.147) 3.639 ======================= Grid point 950 (372/670) ======================= q-point: (-0.32 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.217 ( -7.724 -5.045 4.166) 10.123 6.101 ( 20.044 -1.510 1.745) 20.177 7.020 ( 13.828 -8.545 -2.005) 16.378 8.479 ( -2.714 -0.732 9.307) 9.722 8.997 ( -1.851 0.206 2.938) 3.479 10.191 ( -9.707 -7.487 -2.913) 12.600 12.021 ( 7.574 -0.550 4.143) 8.651 13.081 ( -19.194 3.361 0.864) 19.505 14.466 ( 6.792 0.619 -0.479) 6.837 14.831 ( -1.518 -2.510 -7.816) 8.349 15.130 ( 8.989 6.682 -0.581) 11.216 16.109 ( 2.950 4.966 0.467) 5.795 ======================= Grid point 951 (373/670) ======================= q-point: (-0.26 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.023 ( -7.178 -9.524 4.475) 12.738 6.471 ( 24.485 -5.414 2.677) 25.219 7.190 ( 19.619 -13.206 -2.686) 23.802 8.417 ( -5.293 -4.568 8.497) 11.003 8.976 ( -1.755 -0.638 4.493) 4.865 9.914 ( -10.491 -8.816 -2.972) 14.021 12.189 ( 10.406 0.108 2.233) 10.643 12.824 ( -16.908 7.478 1.299) 18.533 14.478 ( -8.065 4.990 -2.797) 9.888 14.782 ( 5.084 -7.099 -5.114) 10.119 15.383 ( 11.092 5.620 2.616) 12.707 16.204 ( 1.857 5.018 -0.449) 5.369 ======================= Grid point 952 (374/670) ======================= q-point: (-0.21 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.851 ( -2.117 -10.194 4.347) 11.282 6.799 ( 22.285 -15.265 2.776) 27.154 7.415 ( 22.708 -14.840 -1.779) 27.185 8.289 ( -5.787 -4.329 5.371) 9.004 8.970 ( 0.106 -0.984 6.519) 6.593 9.663 ( -8.583 -5.034 -3.390) 10.512 12.386 ( 12.127 -1.400 0.048) 12.207 12.666 ( -13.159 12.197 1.584) 18.012 14.310 ( -15.625 6.764 -1.807) 17.122 14.800 ( 7.301 -9.365 -3.235) 12.308 15.603 ( 7.609 2.323 3.474) 8.681 16.259 ( -0.523 3.641 -0.786) 3.761 ======================= Grid point 953 (375/670) ======================= q-point: (-0.16 -0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 5.974 -6.998 3.597) 9.879 6.928 ( 15.008 -24.724 1.856) 28.982 7.539 ( 9.849 -24.209 1.278) 26.167 8.293 ( 7.215 6.544 0.341) 9.747 9.028 ( 4.526 -0.374 8.240) 9.408 9.503 ( -4.965 -0.480 -4.148) 6.488 12.549 ( 7.869 -3.500 1.699) 8.778 12.641 ( -4.900 16.074 -3.303) 17.125 14.096 ( -16.660 7.878 2.003) 18.537 14.804 ( 5.495 -10.384 -2.405) 11.992 15.700 ( 1.795 -2.163 3.206) 4.264 16.246 ( -3.619 1.452 -0.422) 3.923 ======================= Grid point 968 (376/670) ======================= q-point: (-0.37 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.368 ( 0.000 -6.175 4.719) 7.772 5.720 ( 0.000 -2.198 1.105) 2.461 6.773 ( -0.000 -9.346 -1.668) 9.494 8.522 ( 0.000 -0.107 10.734) 10.734 9.033 ( 0.000 0.191 2.627) 2.634 10.364 ( -0.000 -10.892 -3.529) 11.449 11.891 ( 0.000 0.367 5.069) 5.082 13.614 ( 0.000 3.663 0.885) 3.769 14.109 ( 0.000 0.837 1.700) 1.894 14.850 ( -0.000 -0.789 -2.413) 2.538 15.009 ( -0.000 4.151 -11.031) 11.786 16.059 ( 0.000 7.961 1.712) 8.143 ======================= Grid point 969 (377/670) ======================= q-point: (-0.32 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.249 ( -4.318 -13.188 4.849) 14.700 5.794 ( 11.795 -4.964 1.741) 12.915 6.701 ( 7.673 -16.297 -2.262) 18.155 8.531 ( -1.507 -4.477 12.128) 13.015 9.032 ( -1.079 -0.994 3.738) 4.015 10.163 ( -3.634 -18.128 -4.138) 18.946 11.954 ( 3.252 2.490 4.146) 5.828 13.471 ( -18.035 7.337 1.178) 19.506 14.281 ( 12.238 0.648 0.803) 12.282 14.836 ( -0.354 -0.156 -4.101) 4.119 15.045 ( 4.434 4.745 -6.565) 9.234 16.166 ( 0.357 10.814 1.017) 10.868 ======================= Grid point 970 (378/670) ======================= q-point: (-0.26 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.016 ( -5.666 -18.302 4.774) 19.745 6.013 ( 19.976 -10.168 2.538) 22.558 6.711 ( 15.682 -19.159 -2.848) 24.923 8.468 ( -3.638 -8.419 11.590) 14.781 9.003 ( -1.418 -3.805 5.341) 6.709 9.890 ( -4.149 -17.808 -4.781) 18.900 12.073 ( 5.782 2.620 3.026) 7.033 13.241 ( -19.036 11.353 1.499) 22.215 14.450 ( 8.178 -2.374 -0.789) 8.552 14.779 ( -5.827 2.678 -5.479) 8.434 15.223 ( 11.912 3.107 -0.711) 12.331 16.279 ( -0.742 11.443 0.106) 11.468 ======================= Grid point 971 (379/670) ======================= q-point: (-0.21 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -2.525 -19.593 4.611) 20.286 6.239 ( 21.805 -21.350 1.812) 30.571 6.857 ( 22.631 -16.622 -1.721) 28.132 8.336 ( -4.671 -9.907 8.933) 14.134 8.957 ( 0.363 -7.593 7.310) 10.546 9.657 ( -3.101 -11.716 -5.418) 13.275 12.221 ( 7.541 1.685 1.519) 7.875 13.071 ( -16.442 15.349 2.062) 22.588 14.523 ( 2.954 -2.126 -1.128) 3.811 14.656 ( -7.320 1.076 -4.436) 8.626 15.454 ( 11.518 -0.106 1.416) 11.605 16.360 ( -2.878 10.704 -0.062) 11.084 ======================= Grid point 972 (380/670) ======================= q-point: (-0.16 -0.37 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( 5.025 -16.692 4.040) 17.894 6.345 ( 20.515 -30.151 -0.189) 36.469 7.065 ( 18.770 -20.584 1.601) 27.903 8.241 ( 1.851 -4.103 4.064) 6.064 8.940 ( 4.825 -10.063 9.047) 14.366 9.508 ( -2.097 -5.136 -5.835) 8.051 12.367 ( 7.822 0.204 -0.787) 7.864 13.001 ( -12.492 19.005 2.347) 22.864 14.437 ( -13.292 6.271 -0.141) 14.698 14.599 ( 5.238 -8.293 -2.340) 10.084 15.600 ( 6.876 -4.304 1.590) 8.266 16.384 ( -6.028 8.872 0.687) 10.748 ======================= Grid point 988 (381/670) ======================= q-point: (-0.32 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.134 ( 0.000 -20.969 5.065) 21.572 5.629 ( 0.000 -8.637 1.809) 8.824 6.426 ( -0.000 -22.530 -2.714) 22.693 8.529 ( 0.000 -8.602 13.825) 16.283 9.033 ( 0.000 -4.646 4.809) 6.687 9.957 ( -0.000 -23.240 -5.571) 23.898 11.977 ( 0.000 4.102 3.775) 5.574 13.760 ( 0.000 9.349 2.017) 9.564 14.163 ( 0.000 3.151 0.826) 3.258 14.797 ( -0.000 -2.597 -1.926) 3.233 15.044 ( -0.000 6.774 -8.360) 10.760 16.296 ( -0.000 14.205 0.472) 14.212 ======================= Grid point 989 (382/670) ======================= q-point: (-0.26 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.883 ( -2.864 -26.706 4.704) 27.267 5.620 ( 11.016 -16.041 2.570) 19.629 6.262 ( 9.735 -23.005 -3.346) 25.203 8.459 ( -1.928 -12.793 13.768) 18.893 8.960 ( -0.195 -13.861 5.689) 14.984 9.714 ( -0.554 -17.550 -6.478) 18.715 12.054 ( 2.243 4.397 3.353) 5.967 13.687 ( -16.704 12.223 2.539) 20.854 14.291 ( 7.330 -0.063 -0.557) 7.352 14.817 ( 3.597 0.123 -1.717) 3.987 15.102 ( 3.338 5.714 -5.551) 8.637 16.436 ( -1.290 15.460 -0.338) 15.518 ======================= Grid point 990 (383/670) ======================= q-point: (-0.21 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( -1.582 -28.748 4.317) 29.113 5.653 ( 16.966 -29.195 1.540) 33.802 6.309 ( 19.748 -16.917 -2.248) 26.100 8.315 ( -3.090 -16.419 11.689) 20.390 8.812 ( 2.860 -22.832 5.839) 23.740 9.558 ( -0.887 -6.816 -5.930) 9.078 12.162 ( 3.844 4.171 2.608) 6.243 13.533 ( -17.352 15.452 3.162) 23.448 14.371 ( 5.604 -3.781 -1.609) 6.949 14.824 ( -5.029 3.799 -3.496) 7.207 15.251 ( 10.436 0.752 -0.985) 10.509 16.550 ( -3.399 15.436 -0.409) 15.811 ======================= Grid point 991 (384/670) ======================= q-point: (-0.16 -0.32 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.330 ( 4.453 -26.471 3.716) 27.099 5.643 ( 20.813 -37.164 -1.033) 42.607 6.521 ( 21.876 -17.413 0.617) 27.967 8.152 ( 0.626 -15.853 7.556) 17.573 8.685 ( 7.834 -24.753 6.237) 26.702 9.483 ( -1.690 -0.548 -4.992) 5.298 12.282 ( 4.481 3.572 0.918) 5.804 13.438 ( -14.450 18.363 3.929) 23.694 14.413 ( 5.021 -5.067 -1.514) 7.293 14.711 ( -10.223 4.150 -2.929) 11.416 15.413 ( 9.309 -4.028 0.295) 10.147 16.616 ( -6.441 14.264 0.605) 15.663 ======================= Grid point 1008 (385/670) ======================= q-point: (-0.26 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.622 ( 0.000 -33.323 4.488) 33.624 5.331 ( 0.000 -26.201 3.186) 26.394 5.935 ( -0.000 -20.123 -4.061) 20.529 8.372 ( 0.000 -19.590 14.167) 24.176 8.756 ( 0.000 -28.846 3.595) 29.069 9.575 ( -0.000 -5.844 -5.506) 8.029 12.098 ( 0.000 5.239 3.634) 6.376 13.992 ( 0.000 11.074 3.650) 11.660 14.226 ( -0.000 2.643 -0.791) 2.758 14.732 ( -0.000 -2.634 -0.448) 2.671 15.137 ( -0.000 7.662 -6.738) 10.203 16.610 ( -0.000 17.159 -1.160) 17.198 ======================= Grid point 1009 (386/670) ======================= q-point: (-0.21 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( -0.234 -36.327 4.101) 36.559 5.099 ( 8.855 -38.008 2.334) 39.095 5.858 ( 12.093 -14.149 -3.171) 18.880 8.157 ( 0.380 -32.969 10.726) 34.672 8.496 ( 2.488 -27.475 3.674) 27.831 9.533 ( -0.933 1.150 -3.896) 4.168 12.180 ( 1.426 5.699 3.640) 6.911 13.969 ( -13.935 12.734 4.181) 19.334 14.269 ( 2.709 -0.795 -1.839) 3.369 14.799 ( 7.004 -1.457 -0.193) 7.156 15.182 ( 0.550 5.966 -5.353) 8.034 16.762 ( -2.064 17.564 -1.359) 17.737 ======================= Grid point 1010 (387/670) ======================= q-point: (-0.16 -0.26 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 4.067 -34.922 3.374) 35.320 4.907 ( 16.307 -43.880 -0.126) 46.813 5.998 ( 19.331 -14.234 -1.016) 24.028 7.870 ( 6.280 -39.306 6.706) 40.365 8.326 ( 4.612 -22.421 4.747) 23.377 9.518 ( -2.014 3.301 -3.238) 5.044 12.282 ( 2.028 5.795 2.728) 6.718 13.870 ( -13.918 14.015 4.923) 20.356 14.305 ( 3.159 -0.629 -1.696) 3.640 14.829 ( -1.757 -1.533 -3.049) 3.838 15.255 ( 5.000 0.983 -1.879) 5.431 16.874 ( -4.809 16.998 -0.416) 17.670 ======================= Grid point 1028 (388/670) ======================= q-point: (-0.21 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 0.000 -40.905 4.077) 41.107 4.618 ( 0.000 -44.620 2.822) 44.710 5.611 ( -0.000 -11.514 -3.334) 11.987 7.728 ( 0.000 -51.350 4.098) 51.514 8.272 ( 0.000 -20.367 7.127) 21.578 9.557 ( -0.000 3.801 -3.002) 4.844 12.247 ( 0.000 6.726 4.407) 8.041 14.233 ( 0.000 9.340 4.674) 10.444 14.239 ( -0.000 -0.227 -2.531) 2.541 14.700 ( 0.000 -0.755 1.450) 1.635 15.223 ( -0.000 5.783 -6.970) 9.056 16.953 ( -0.000 18.104 -1.917) 18.205 ======================= Grid point 1029 (389/670) ======================= q-point: (-0.16 -0.21 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 3.189 -41.069 3.636) 41.353 4.234 ( 8.201 -48.049 1.701) 48.774 5.591 ( 11.339 -11.815 -2.318) 16.539 7.261 ( 7.745 -55.370 1.850) 55.940 8.108 ( 1.030 -19.729 7.106) 20.995 9.575 ( -1.301 4.211 -3.030) 5.349 12.340 ( 0.524 7.322 4.306) 8.511 14.168 ( -6.752 0.767 1.552) 6.971 14.308 ( -1.007 8.915 0.899) 9.017 14.751 ( 3.800 -3.374 0.268) 5.089 15.242 ( -0.199 4.070 -5.908) 7.177 17.106 ( -2.287 17.747 -1.412) 17.949 ======================= Grid point 1048 (390/670) ======================= q-point: (-0.16 -0.16 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 0.000 -43.771 4.189) 43.971 3.687 ( 0.000 -49.316 2.653) 49.387 5.369 ( -0.000 -11.113 -2.539) 11.400 6.601 ( 0.000 -60.838 -0.501) 60.840 7.923 ( 0.000 -21.044 7.497) 22.339 9.616 ( -0.000 3.974 -3.652) 5.397 12.434 ( 0.000 8.369 5.124) 9.813 14.185 ( -0.000 -2.624 -3.198) 4.136 14.418 ( 0.000 5.579 3.676) 6.681 14.719 ( 0.000 0.938 2.471) 2.643 15.254 ( -0.000 2.838 -7.361) 7.889 17.295 ( -0.000 17.318 -1.592) 17.391 ======================= Grid point 1149 (391/670) ======================= q-point: ( 0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 -0.000 21.477) 21.477 0.788 ( 0.000 -0.000 21.477) 21.477 1.685 ( 0.000 -0.000 45.978) 45.978 4.512 ( -0.000 0.000 -0.687) 0.687 4.512 ( -0.000 0.000 -0.687) 0.687 12.966 ( -0.000 0.000 -9.096) 9.096 13.858 ( -0.000 0.000 -2.048) 2.048 13.858 ( -0.000 0.000 -2.048) 2.048 14.896 ( 0.000 -0.000 1.109) 1.109 14.896 ( 0.000 -0.000 1.109) 1.109 15.336 ( 0.000 -0.000 7.277) 7.277 16.858 ( -0.000 0.000 -1.597) 1.597 ======================= Grid point 1150 (392/670) ======================= q-point: ( 0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 14.591 8.424 18.562) 25.069 1.357 ( 26.920 15.542 19.228) 36.551 1.998 ( 18.022 10.405 34.429) 40.229 4.536 ( 2.941 1.698 -0.998) 3.540 5.176 ( 44.267 25.557 -17.317) 53.968 12.253 ( -58.405 -33.720 26.884) 72.601 13.563 ( -21.605 -12.474 5.057) 25.455 13.829 ( -0.051 -0.030 -2.512) 2.512 14.091 ( -13.846 -7.994 5.511) 16.911 14.930 ( 0.778 0.449 1.585) 1.822 15.401 ( 2.720 1.570 8.953) 9.488 17.538 ( 24.343 14.054 -18.059) 33.410 ======================= Grid point 1151 (393/670) ======================= q-point: ( 0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 26.100 15.069 15.475) 33.879 1.849 ( 12.140 7.009 28.463) 31.728 2.885 ( 46.548 26.874 10.314) 54.729 4.635 ( 5.813 3.356 -1.599) 6.900 6.077 ( 38.621 22.298 -18.627) 48.330 11.156 ( -43.259 -24.975 36.457) 61.840 13.240 ( -9.928 -5.732 2.516) 11.736 13.838 ( 1.676 0.968 -2.359) 3.052 13.935 ( -3.492 -2.016 -9.258) 10.098 14.942 ( -0.328 -0.189 1.645) 1.688 15.501 ( 1.988 1.148 10.648) 10.893 17.744 ( 1.917 1.107 -12.843) 13.032 ======================= Grid point 1152 (394/670) ======================= q-point: ( 0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 18.237 10.529 21.420) 30.038 2.340 ( 34.740 20.057 13.220) 42.236 4.060 ( 51.988 30.015 2.867) 60.099 4.779 ( 7.175 4.142 -2.587) 8.679 6.818 ( 31.306 18.074 -13.519) 38.594 10.487 ( -26.691 -15.410 24.968) 39.665 13.076 ( -5.633 -3.252 3.755) 7.510 13.823 ( -2.163 -1.249 -15.364) 15.566 13.890 ( 3.459 1.997 -1.558) 4.287 14.926 ( -1.540 -0.889 1.309) 2.208 15.548 ( -1.783 -1.029 10.353) 10.556 17.612 ( -8.669 -5.005 -9.833) 14.032 ======================= Grid point 1153 (395/670) ======================= q-point: ( 0.37 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 25.084 14.482 12.342) 31.484 3.247 ( 39.310 22.695 10.641) 46.621 4.939 ( 7.659 4.422 -3.307) 9.442 5.270 ( 52.123 30.093 -0.668) 60.190 7.431 ( 26.017 15.021 -9.952) 31.648 10.062 ( -17.253 -9.961 14.316) 24.532 13.002 ( -2.516 -1.453 5.977) 6.645 13.718 ( -1.542 -0.891 -17.747) 17.836 13.985 ( 5.034 2.906 -0.220) 5.817 14.880 ( -2.795 -1.614 0.608) 3.284 15.486 ( -6.813 -3.933 8.038) 11.247 17.302 ( -14.664 -8.466 -8.131) 18.783 ======================= Grid point 1154 (396/670) ======================= q-point: ( 0.42 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 28.470 16.437 5.040) 33.258 4.196 ( 39.316 22.699 7.125) 45.954 5.112 ( 8.561 4.942 -2.634) 10.230 6.433 ( 48.858 28.208 -3.429) 56.521 7.954 ( 22.733 13.125 -8.369) 27.551 9.783 ( -10.622 -6.133 7.047) 14.145 12.996 ( -0.607 -0.350 7.752) 7.784 13.618 ( -1.422 -0.821 -16.652) 16.732 14.115 ( 5.972 3.448 1.360) 7.029 14.802 ( -4.035 -2.330 -0.393) 4.676 15.288 ( -12.400 -7.159 3.845) 14.826 16.905 ( -16.790 -9.694 -5.716) 20.213 ======================= Grid point 1155 (397/670) ======================= q-point: ( 0.47 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.180 ( 28.688 16.563 -0.022) 33.126 5.065 ( 32.438 18.728 0.391) 37.459 5.335 ( 12.581 7.264 2.246) 14.700 7.462 ( 41.276 23.831 -6.798) 48.144 8.430 ( 21.340 12.320 -6.962) 25.606 9.626 ( -4.482 -2.588 3.077) 6.021 13.011 ( -0.967 -0.558 5.055) 5.177 13.541 ( -0.333 -0.192 -8.928) 8.936 14.263 ( 5.992 3.459 2.849) 7.482 14.692 ( -5.066 -2.925 -1.560) 6.054 14.945 ( -17.471 -10.087 -1.563) 20.235 16.513 ( -15.478 -8.936 -2.125) 17.998 ======================= Grid point 1156 (398/670) ======================= q-point: ( 0.53 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.809 ( 25.911 14.959 -3.083) 30.077 5.482 ( 10.666 6.158 -3.360) 12.766 5.887 ( 26.956 15.563 4.981) 31.522 8.249 ( 29.722 17.160 -11.264) 36.121 8.863 ( 16.467 9.507 -4.418) 19.521 9.630 ( 5.129 2.961 2.083) 6.278 12.953 ( -4.436 -2.561 -4.766) 6.997 13.566 ( 3.004 1.734 6.852) 7.680 14.406 ( 5.174 2.987 4.006) 7.193 14.500 ( -18.843 -10.879 -6.274) 22.645 14.561 ( -5.510 -3.181 -2.687) 6.907 16.189 ( -12.371 -7.143 1.209) 14.336 ======================= Grid point 1157 (399/670) ======================= q-point: ( 0.58 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.323 ( 19.230 11.103 -4.671) 22.691 5.676 ( 6.944 4.009 -1.612) 8.179 6.430 ( 18.090 10.444 2.578) 21.047 8.758 ( 18.760 10.831 -13.397) 25.470 9.096 ( 6.252 3.609 -3.824) 8.169 9.884 ( 13.426 7.751 3.761) 15.953 12.780 ( -7.598 -4.387 -11.111) 14.157 13.689 ( 1.194 0.690 16.464) 16.521 14.110 ( -9.504 -5.487 -7.207) 13.129 14.426 ( -4.911 -2.835 -3.814) 6.834 14.528 ( 3.811 2.200 4.949) 6.623 15.959 ( -8.033 -4.638 3.365) 9.868 ======================= Grid point 1158 (400/670) ======================= q-point: ( 0.63 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.626 ( 8.026 4.634 -5.273) 10.662 5.781 ( 2.474 1.429 -1.293) 3.136 6.717 ( 5.720 3.302 1.732) 6.828 8.997 ( 5.980 3.452 -8.643) 11.063 9.223 ( 7.467 4.311 -8.924) 12.409 10.135 ( 4.531 2.616 6.252) 8.153 12.539 ( -8.565 -4.945 -13.411) 16.664 13.643 ( -4.911 -2.836 5.004) 7.563 14.139 ( 8.410 4.856 8.193) 12.705 14.314 ( -3.266 -1.886 -4.290) 5.712 14.618 ( 2.343 1.353 5.153) 5.820 15.859 ( -1.664 -0.961 4.945) 5.305 ======================= Grid point 1159 (401/670) ======================= q-point: (-0.32 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.631 ( -6.007 -3.468 -5.135) 8.630 5.782 ( -1.849 -1.068 -1.231) 2.465 6.694 ( -8.358 -4.826 1.288) 9.737 9.040 ( 0.902 0.521 -6.087) 6.175 9.312 ( 2.922 1.687 -11.572) 12.054 10.082 ( -11.863 -6.849 8.129) 15.929 12.323 ( -5.035 -2.907 -12.996) 14.237 13.639 ( 3.855 2.226 1.778) 4.793 14.247 ( -1.181 -0.682 -4.042) 4.266 14.409 ( 10.630 6.137 11.610) 16.895 14.675 ( 1.022 0.590 4.702) 4.847 15.930 ( 5.912 3.413 6.437) 9.383 ======================= Grid point 1160 (402/670) ======================= q-point: (-0.26 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.317 ( -19.282 -11.133 -4.742) 22.765 5.690 ( -5.916 -3.415 -1.429) 6.979 6.351 ( -21.044 -12.150 1.239) 24.331 8.966 ( -5.933 -3.426 -8.368) 10.815 9.277 ( -3.701 -2.137 -10.619) 11.447 9.684 ( -22.369 -12.915 9.909) 27.665 12.222 ( -0.035 -0.020 -10.453) 10.453 13.812 ( 9.905 5.719 0.485) 11.448 14.225 ( 0.151 0.087 -2.764) 2.769 14.694 ( 10.198 5.888 10.581) 15.832 14.703 ( 0.148 0.086 3.381) 3.386 16.168 ( 12.066 6.966 7.193) 15.680 ======================= Grid point 1161 (403/670) ======================= q-point: (-0.21 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( -29.342 -16.941 -4.719) 34.209 5.419 ( -21.101 -12.183 -4.421) 24.763 5.841 ( -18.875 -10.897 4.010) 22.161 8.677 ( -20.574 -11.878 -11.657) 26.463 8.794 ( -28.891 -16.680 0.867) 33.372 9.474 ( 0.257 0.149 2.416) 2.434 12.229 ( 3.362 1.941 -7.914) 8.815 14.058 ( 10.832 6.254 -1.149) 12.561 14.223 ( 0.045 0.026 -0.580) 0.582 14.712 ( -0.071 -0.041 1.275) 1.278 14.947 ( 8.282 4.782 9.132) 13.223 16.519 ( 15.610 9.013 6.535) 19.173 ======================= Grid point 1162 (404/670) ======================= q-point: (-0.16 0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -35.606 -20.557 -4.941) 41.410 4.660 ( -39.232 -22.650 -4.509) 45.525 5.570 ( -9.346 -5.396 3.937) 11.488 7.757 ( -46.958 -27.111 -1.039) 54.232 8.354 ( -16.709 -9.647 -7.040) 20.538 9.531 ( 3.084 1.781 1.537) 3.879 12.307 ( 5.586 3.225 -6.214) 8.956 14.215 ( -1.071 -0.618 1.757) 2.148 14.276 ( 8.394 4.846 -2.615) 10.039 14.714 ( 0.269 0.156 -0.984) 1.032 15.137 ( 5.324 3.074 7.894) 10.005 16.915 ( 16.542 9.550 4.543) 19.633 ======================= Grid point 1169 (405/670) ======================= q-point: ( 0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 14.275 18.690) 23.518 1.372 ( 0.000 25.426 20.574) 32.707 2.163 ( 0.000 20.740 33.156) 39.108 4.558 ( -0.000 4.519 -0.863) 4.600 5.078 ( -0.000 45.779 -14.200) 47.931 12.310 ( 0.000 -60.816 19.279) 63.799 13.438 ( 0.000 -27.373 2.166) 27.459 13.900 ( -0.000 3.771 -1.752) 4.158 14.323 ( 0.000 -12.594 7.994) 14.916 14.856 ( 0.000 -2.811 0.804) 2.924 15.440 ( 0.000 3.941 9.586) 10.364 17.443 ( -0.000 26.141 -16.837) 31.094 ======================= Grid point 1170 (406/670) ======================= q-point: ( 0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 13.917 18.508 17.091) 28.781 1.799 ( 12.839 7.924 27.520) 31.384 2.714 ( 19.260 41.010 15.006) 47.728 4.622 ( 1.841 7.099 -1.341) 7.455 5.720 ( 25.546 37.268 -16.727) 48.180 11.547 ( -25.989 -49.235 31.589) 64.011 13.204 ( -1.302 -17.470 0.462) 17.525 13.904 ( -3.077 3.996 -3.974) 6.421 14.101 ( -13.925 4.921 -1.052) 14.807 14.870 ( 3.725 -5.632 0.806) 6.800 15.543 ( 1.527 4.051 11.096) 11.910 17.642 ( 5.907 6.268 -14.451) 16.823 ======================= Grid point 1171 (407/670) ======================= q-point: ( 0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 26.577 23.025 14.796) 38.150 2.178 ( 13.851 6.139 24.785) 29.049 3.682 ( 35.565 44.837 4.211) 57.385 4.751 ( 3.946 9.570 -2.237) 10.591 6.454 ( 28.222 26.363 -14.187) 41.143 10.825 ( -24.458 -29.353 26.899) 46.726 13.046 ( 0.057 -12.658 1.496) 12.746 13.817 ( -4.906 -0.026 -11.764) 12.746 14.012 ( -7.189 12.671 -0.788) 14.590 14.873 ( 3.407 -6.486 0.719) 7.362 15.618 ( -1.434 1.033 11.108) 11.248 17.628 ( -2.921 -3.497 -11.323) 12.206 ======================= Grid point 1172 (408/670) ======================= q-point: ( 0.37 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 20.431 9.996 15.038) 27.267 2.911 ( 33.908 27.289 13.090) 45.451 4.755 ( 31.948 30.078 -1.400) 43.901 4.966 ( 14.132 23.573 -2.047) 27.561 7.100 ( 25.971 18.887 -11.044) 33.958 10.306 ( -18.743 -17.763 17.573) 31.235 12.966 ( 2.179 -9.335 3.545) 10.220 13.688 ( -3.589 -0.153 -15.761) 16.165 14.048 ( -3.335 12.044 0.493) 12.507 14.863 ( 1.701 -5.052 0.449) 5.349 15.586 ( -5.466 -3.521 9.192) 11.259 17.410 ( -10.625 -7.625 -9.181) 15.979 ======================= Grid point 1173 (409/670) ======================= q-point: ( 0.42 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 26.431 11.817 6.860) 29.754 3.849 ( 35.623 29.826 9.724) 47.467 5.064 ( 5.528 11.357 -3.780) 13.184 5.973 ( 41.711 39.730 -2.623) 57.664 7.649 ( 23.407 13.889 -9.386) 28.790 9.942 ( -13.169 -10.700 9.725) 19.557 12.956 ( 3.770 -6.780 5.285) 9.387 13.573 ( -2.122 -0.707 -15.885) 16.042 14.133 ( -0.084 9.599 1.975) 9.800 14.827 ( -1.573 -3.063 0.060) 3.444 15.427 ( -9.740 -7.226 5.260) 13.219 17.067 ( -15.079 -8.999 -6.730) 18.806 ======================= Grid point 1174 (410/670) ======================= q-point: ( 0.47 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 29.624 11.549 0.824) 31.806 4.774 ( 32.238 30.253 5.455) 44.546 5.270 ( 6.300 12.488 -2.080) 14.141 7.030 ( 38.674 33.562 -5.280) 51.478 8.130 ( 22.514 10.810 -8.507) 26.384 9.708 ( -7.674 -5.568 4.726) 10.593 12.980 ( 3.042 -5.172 3.388) 6.891 13.491 ( 0.420 -1.719 -9.947) 10.103 14.247 ( 2.445 6.804 3.342) 7.965 14.729 ( -5.913 -5.347 0.142) 7.973 15.160 ( -13.884 -5.355 -0.682) 14.896 16.689 ( -15.726 -8.469 -3.165) 18.140 ======================= Grid point 1175 (411/670) ======================= q-point: ( 0.53 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( 29.846 9.831 -2.798) 31.547 5.453 ( 7.099 20.634 -5.113) 22.412 5.641 ( 25.421 20.389 6.930) 33.316 7.895 ( 30.060 24.516 -9.219) 39.870 8.592 ( 22.431 8.780 -6.303) 24.899 9.611 ( -0.707 -0.800 2.391) 2.619 12.946 ( -1.318 -5.055 -5.416) 7.525 13.512 ( 5.761 -1.678 4.301) 7.383 14.355 ( 1.024 -0.761 2.678) 2.966 14.489 ( -8.629 -11.466 0.704) 14.367 14.895 ( -15.178 6.881 -5.288) 17.484 16.351 ( -13.703 -6.721 0.519) 15.271 ======================= Grid point 1176 (412/670) ======================= q-point: ( 0.58 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.988 ( 26.266 6.695 -4.458) 27.469 5.690 ( 3.112 15.654 -2.630) 16.175 6.272 ( 18.990 19.813 3.404) 27.654 8.483 ( 20.985 14.777 -12.953) 28.749 8.963 ( 12.923 3.930 -3.862) 14.049 9.728 ( 11.478 4.547 2.538) 12.604 12.801 ( -5.129 -5.426 -11.137) 13.408 13.675 ( 8.557 -0.523 16.030) 18.178 14.026 ( -10.305 -22.357 -5.361) 25.195 14.523 ( 3.018 4.858 4.964) 7.573 14.719 ( -14.992 13.010 -5.407) 20.574 16.092 ( -10.570 -3.967 2.910) 11.659 ======================= Grid point 1177 (413/670) ======================= q-point: ( 0.63 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.400 ( 17.593 1.569 -4.864) 18.321 5.851 ( -0.643 13.585 -2.309) 13.795 6.686 ( 8.077 13.163 2.169) 15.595 8.835 ( 12.939 6.415 -12.758) 19.270 9.115 ( 6.037 1.910 -4.720) 7.898 10.023 ( 12.908 2.439 4.476) 13.878 12.590 ( -7.887 -4.594 -12.891) 15.795 13.613 ( -5.946 -18.805 1.677) 19.794 13.951 ( 12.960 -1.692 11.589) 17.468 14.569 ( -10.934 9.659 -2.405) 14.786 14.658 ( -0.829 10.421 3.134) 10.914 15.938 ( -5.973 -0.370 4.165) 7.291 ======================= Grid point 1178 (414/670) ======================= q-point: (-0.32 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.561 ( 4.792 -5.178 -4.602) 8.423 5.914 ( -5.612 11.433 -2.498) 12.979 6.815 ( -4.858 5.096 1.711) 7.245 8.968 ( 4.708 0.082 -8.827) 10.004 9.212 ( 5.287 1.470 -8.951) 10.500 10.155 ( -0.033 -5.513 6.736) 8.705 12.362 ( -7.827 -2.271 -12.905) 15.263 13.444 ( 6.709 -15.755 -0.059) 17.124 14.206 ( 10.206 1.088 10.752) 14.864 14.482 ( -7.693 8.399 0.191) 11.392 14.771 ( -1.276 12.036 3.813) 12.690 15.924 ( 0.974 3.217 5.170) 6.167 ======================= Grid point 1179 (415/670) ======================= q-point: (-0.26 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.422 ( -8.981 -11.925 -4.440) 15.575 5.865 ( -10.752 8.986 -2.111) 14.171 6.631 ( -18.455 -2.193 1.500) 18.645 8.953 ( -0.897 -3.989 -9.200) 10.068 9.236 ( 1.406 -0.752 -9.415) 9.549 9.944 ( -16.454 -12.515 8.271) 22.265 12.211 ( -3.144 0.715 -10.635) 11.113 13.516 ( 16.427 -11.357 -0.559) 19.978 14.320 ( -4.134 7.062 -0.615) 8.206 14.548 ( 8.236 -0.408 10.344) 13.229 14.877 ( -3.371 14.755 3.220) 15.474 16.076 ( 8.606 5.895 5.934) 12.001 ======================= Grid point 1180 (416/670) ======================= q-point: (-0.21 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.991 ( -21.817 -16.775 -4.381) 27.867 5.684 ( -18.162 2.335 -2.844) 18.531 6.191 ( -26.483 -3.792 2.616) 26.881 8.763 ( -9.103 -9.135 -11.741) 17.440 9.099 ( -16.640 -8.787 -6.284) 19.839 9.542 ( -12.028 -7.497 7.916) 16.234 12.180 ( 1.222 2.521 -7.668) 8.164 13.743 ( 20.319 -7.789 -1.816) 21.836 14.289 ( -4.650 4.205 -0.438) 6.285 14.720 ( 5.650 0.766 7.254) 9.226 14.983 ( -1.286 12.666 3.876) 13.308 16.366 ( 14.076 7.453 5.623) 16.891 ======================= Grid point 1181 (417/670) ======================= q-point: (-0.16 0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.328 ( -31.441 -18.801 -4.360) 36.893 5.133 ( -37.515 -12.568 -3.606) 39.728 5.819 ( -18.167 4.430 3.640) 19.050 8.264 ( -35.258 -18.777 -7.660) 40.674 8.536 ( -21.075 -10.207 -3.572) 23.688 9.496 ( 2.588 0.150 2.455) 3.570 12.233 ( 4.067 3.450 -5.551) 7.698 14.013 ( 18.688 -5.320 -3.349) 19.717 14.252 ( -2.722 1.556 1.131) 3.333 14.787 ( -2.508 4.042 2.204) 5.243 15.118 ( 3.524 5.849 5.577) 8.817 16.731 ( 16.638 7.826 4.009) 18.819 ======================= Grid point 1189 (418/670) ======================= q-point: ( 0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 23.615 15.862) 28.448 1.861 ( 0.000 6.879 29.950) 30.729 3.060 ( 0.000 49.470 10.174) 50.505 4.676 ( -0.000 8.125 -1.543) 8.270 5.852 ( -0.000 41.592 -14.422) 44.021 11.357 ( 0.000 -49.424 28.568) 57.086 13.036 ( -0.000 -16.143 -1.243) 16.190 13.979 ( -0.000 5.323 -1.553) 5.545 14.225 ( -0.000 -2.131 -4.654) 5.119 14.800 ( 0.000 -3.266 0.882) 3.383 15.609 ( 0.000 3.615 11.951) 12.486 17.600 ( -0.000 4.799 -13.554) 14.379 ======================= Grid point 1190 (419/670) ======================= q-point: ( 0.32 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 13.187 27.369 15.775) 34.231 2.128 ( 9.284 6.334 25.965) 28.293 3.751 ( 16.191 53.842 3.446) 56.329 4.787 ( 2.975 10.701 -2.266) 11.335 6.327 ( 14.495 33.840 -12.344) 38.828 10.906 ( -11.867 -36.425 24.688) 45.575 12.891 ( 1.430 -14.127 -0.675) 14.216 13.915 ( -9.021 2.246 -7.207) 11.763 14.221 ( -0.554 7.812 -2.846) 8.333 14.756 ( 0.268 -5.843 0.605) 5.880 15.683 ( -0.139 0.367 11.513) 11.519 17.577 ( -0.113 -2.077 -11.779) 11.961 ======================= Grid point 1191 (420/670) ======================= q-point: ( 0.37 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 13.642 9.990 16.804) 23.839 2.729 ( 26.081 30.826 15.254) 43.164 4.649 ( 23.821 47.550 -1.333) 53.200 4.989 ( 7.950 18.276 -2.919) 20.143 6.875 ( 19.213 24.519 -10.153) 32.762 10.453 ( -14.206 -24.356 17.847) 33.369 12.806 ( 3.872 -11.923 1.168) 12.590 13.741 ( -8.103 1.751 -12.334) 14.861 14.277 ( -5.469 13.191 0.206) 14.282 14.734 ( 4.981 -7.097 0.208) 8.673 15.668 ( -4.204 -4.411 9.441) 11.236 17.442 ( -5.669 -6.801 -9.953) 13.321 ======================= Grid point 1192 (421/670) ======================= q-point: ( 0.42 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 19.243 12.414 8.212) 24.327 3.618 ( 32.284 33.285 12.762) 48.094 5.108 ( 4.524 17.770 -5.348) 19.101 5.758 ( 32.337 46.314 -2.681) 56.550 7.386 ( 19.854 16.977 -8.742) 27.546 10.077 ( -12.439 -15.489 10.895) 22.657 12.795 ( 6.219 -9.881 3.363) 12.150 13.583 ( -5.994 1.107 -14.254) 15.503 14.300 ( -5.472 10.382 2.520) 12.003 14.776 ( 4.403 -2.666 0.055) 5.147 15.523 ( -8.100 -8.519 5.687) 13.059 17.181 ( -11.123 -8.766 -7.709) 16.124 ======================= Grid point 1193 (422/670) ======================= q-point: ( 0.47 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 24.190 12.345 1.411) 27.194 4.562 ( 32.451 33.390 9.892) 47.601 5.338 ( 3.522 19.566 -5.740) 20.693 6.760 ( 33.404 40.697 -4.666) 52.857 7.835 ( 19.795 11.392 -8.272) 24.291 9.803 ( -8.811 -8.769 5.884) 13.753 12.837 ( 6.845 -8.343 4.052) 11.528 13.451 ( -3.194 -0.830 -12.314) 12.748 14.334 ( -1.930 7.063 4.244) 8.463 14.780 ( -3.460 -2.550 1.309) 4.493 15.293 ( -9.063 -6.769 -0.476) 11.322 16.848 ( -13.837 -8.647 -4.481) 16.921 ======================= Grid point 1194 (423/670) ======================= q-point: ( 0.53 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.010 ( 27.278 10.365 -2.803) 29.315 5.445 ( 28.140 28.928 8.069) 41.155 5.584 ( 3.139 23.977 -6.089) 24.937 7.641 ( 28.032 31.379 -7.385) 42.719 8.253 ( 21.836 7.440 -7.211) 24.170 9.646 ( -4.104 -3.379 3.174) 6.191 12.858 ( 2.813 -7.449 -1.385) 8.082 13.397 ( 3.661 -2.951 -2.811) 5.478 14.398 ( -1.416 3.772 5.148) 6.537 14.561 ( -11.809 -11.137 1.842) 16.336 15.133 ( -7.572 5.398 -5.749) 10.932 16.520 ( -13.423 -6.971 -0.716) 15.142 ======================= Grid point 1195 (424/670) ======================= q-point: ( 0.58 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.563 ( 27.560 7.134 -4.578) 28.834 5.822 ( 2.495 20.378 -3.021) 20.751 6.193 ( 19.658 28.873 3.668) 35.122 8.255 ( 18.706 18.519 -11.518) 28.732 8.685 ( 21.716 4.854 -4.305) 22.664 9.634 ( 3.647 1.145 2.430) 4.529 12.763 ( -2.303 -7.333 -8.274) 11.293 13.510 ( 11.306 -3.437 7.198) 13.836 14.075 ( -17.964 -17.975 1.266) 25.444 14.552 ( 2.543 6.401 4.784) 8.386 15.045 ( -10.404 11.335 -6.450) 16.683 16.254 ( -11.154 -3.912 2.174) 12.018 ======================= Grid point 1196 (425/670) ======================= q-point: ( 0.63 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.041 ( 23.231 2.519 -4.869) 23.869 6.028 ( -1.000 19.962 -2.906) 20.197 6.718 ( 9.747 22.191 2.653) 24.382 8.618 ( 14.112 8.123 -12.794) 20.708 8.982 ( 10.522 1.318 -3.639) 11.211 9.818 ( 13.028 1.437 3.286) 13.512 12.600 ( -4.212 -6.117 -10.220) 12.633 13.566 ( -10.986 -17.809 -7.468) 22.218 13.773 ( 10.463 -3.602 19.110) 22.082 14.679 ( 1.196 6.785 4.945) 8.480 14.953 ( -11.261 14.280 -5.631) 19.038 16.077 ( -8.206 -0.046 3.477) 8.912 ======================= Grid point 1197 (426/670) ======================= q-point: ( 0.68 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.342 ( 13.291 -3.604 -4.584) 14.514 6.155 ( -5.579 18.795 -2.932) 19.824 6.979 ( -2.045 14.396 2.119) 14.694 8.813 ( 8.758 0.370 -11.150) 14.183 9.104 ( 5.641 0.812 -5.445) 7.883 10.034 ( 9.587 -5.091 4.921) 11.919 12.426 ( -6.284 -2.415 -10.953) 12.856 13.219 ( -2.974 -17.704 -2.639) 18.145 14.044 ( 13.755 -1.359 15.047) 20.432 14.698 ( -7.597 5.122 1.974) 9.373 14.969 ( -3.461 17.525 -1.246) 17.907 16.001 ( -3.873 3.222 3.898) 6.370 ======================= Grid point 1198 (427/670) ======================= q-point: (-0.26 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.373 ( 0.031 -10.019 -4.182) 10.857 6.182 ( -11.127 17.242 -2.740) 20.703 6.948 ( -14.626 6.974 1.899) 16.315 8.853 ( 3.129 -4.775 -9.996) 11.511 9.158 ( 3.107 -0.456 -7.103) 7.766 10.029 ( -3.674 -11.593 6.375) 13.731 12.267 ( -6.167 1.703 -10.033) 11.900 13.126 ( 11.347 -14.513 -1.116) 18.457 14.312 ( 11.667 0.159 10.787) 15.891 14.600 ( -8.553 4.008 2.043) 9.664 15.104 ( -2.542 17.421 0.684) 17.619 16.047 ( 2.940 5.061 4.168) 7.185 ======================= Grid point 1199 (428/670) ======================= q-point: (-0.21 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.118 ( -13.029 -14.656 -3.946) 20.003 6.073 ( -18.836 12.379 -2.539) 22.682 6.651 ( -24.966 3.720 2.204) 25.338 8.737 ( -3.853 -9.533 -11.071) 15.109 9.147 ( -1.048 -1.954 -7.445) 7.768 9.745 ( -15.730 -12.560 7.766) 21.576 12.189 ( -2.228 3.757 -7.143) 8.373 13.280 ( 20.340 -10.363 -1.602) 22.884 14.439 ( -5.725 4.634 0.409) 7.377 14.601 ( 8.479 -2.027 9.494) 12.889 15.206 ( -5.130 15.331 0.594) 16.177 16.235 ( 10.391 5.828 3.952) 12.552 ======================= Grid point 1200 (429/670) ======================= q-point: (-0.16 0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.622 ( -24.225 -16.063 -3.878) 29.325 5.674 ( -34.233 -1.305 -2.143) 34.325 6.282 ( -24.391 9.900 2.474) 26.440 8.447 ( -12.530 -12.677 -11.331) 21.121 8.872 ( -24.093 -8.982 -4.563) 26.115 9.491 ( -3.284 -3.326 5.657) 7.338 12.203 ( 1.383 4.318 -4.473) 6.369 13.569 ( 22.900 -6.939 -2.977) 24.112 14.357 ( -6.420 2.704 0.930) 7.028 14.768 ( 7.594 -2.276 6.282) 10.115 15.241 ( -5.757 10.884 0.724) 12.334 16.533 ( 15.298 5.670 2.643) 16.528 ======================= Grid point 1209 (430/670) ======================= q-point: ( 0.32 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.000 9.891 25.525) 27.375 2.271 ( 0.000 31.229 13.560) 34.046 4.183 ( -0.000 57.490 0.924) 57.497 4.857 ( -0.000 11.429 -2.506) 11.700 6.511 ( -0.000 33.796 -10.227) 35.310 10.735 ( 0.000 -33.279 20.996) 39.349 12.735 ( -0.000 -13.158 -1.102) 13.204 14.087 ( -0.000 6.557 -1.258) 6.677 14.147 ( -0.000 0.104 -9.834) 9.834 14.740 ( 0.000 -3.589 1.091) 3.751 15.720 ( 0.000 -1.908 10.903) 11.069 17.510 ( -0.000 -3.456 -11.094) 11.620 ======================= Grid point 1210 (431/670) ======================= q-point: ( 0.37 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 6.734 14.112 18.472) 24.201 2.765 ( 13.636 34.575 13.573) 39.568 4.856 ( 9.853 52.035 -2.328) 53.011 5.025 ( 7.177 18.671 -2.790) 20.196 6.867 ( 8.350 28.008 -8.556) 30.453 10.444 ( -6.688 -25.983 15.930) 31.202 12.631 ( 2.631 -11.477 -0.009) 11.775 13.905 ( -12.244 3.165 -8.948) 15.492 14.352 ( 10.433 7.282 -3.009) 13.074 14.657 ( -4.242 -4.672 1.491) 6.484 15.705 ( -2.157 -6.107 8.586) 10.755 17.404 ( -2.309 -6.640 -9.920) 12.158 ======================= Grid point 1211 (432/670) ======================= q-point: ( 0.42 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( 10.468 16.942 9.624) 22.118 3.516 ( 24.994 36.551 13.211) 46.208 5.197 ( 4.719 18.613 -5.599) 20.001 5.753 ( 22.593 51.029 -3.126) 55.894 7.264 ( 12.266 21.027 -7.292) 25.412 10.133 ( -8.820 -18.343 10.391) 22.852 12.599 ( 5.537 -9.857 1.945) 11.472 13.700 ( -10.603 2.906 -11.035) 15.577 14.500 ( -6.214 5.476 1.764) 8.468 14.632 ( 9.944 -0.179 -0.353) 9.951 15.576 ( -6.309 -10.126 4.917) 12.904 17.214 ( -6.560 -9.024 -8.205) 13.849 ======================= Grid point 1212 (433/670) ======================= q-point: ( 0.47 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 14.737 17.209 2.421) 22.786 4.408 ( 29.594 35.871 11.501) 47.904 5.456 ( 4.885 21.822 -7.156) 23.479 6.649 ( 26.407 44.552 -4.412) 51.978 7.643 ( 13.673 14.862 -6.742) 21.291 9.870 ( -7.704 -11.347 5.971) 14.958 12.634 ( 7.660 -8.819 3.753) 12.270 13.510 ( -8.722 0.828 -11.017) 14.076 14.448 ( -3.173 2.056 3.983) 5.491 14.793 ( 2.882 3.265 0.940) 4.456 15.348 ( -7.542 -9.807 -0.697) 12.391 16.947 ( -10.052 -9.617 -5.604) 14.998 ======================= Grid point 1213 (434/670) ======================= q-point: ( 0.53 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.717 ( 18.992 14.956 -2.406) 24.294 5.292 ( 27.699 30.977 9.475) 42.622 5.755 ( 5.104 27.688 -7.773) 29.208 7.487 ( 25.683 35.056 -5.497) 43.803 7.981 ( 14.755 9.190 -6.661) 18.615 9.695 ( -4.814 -5.272 3.380) 7.899 12.694 ( 6.757 -8.417 2.858) 11.166 13.350 ( -3.921 -2.143 -6.837) 8.168 14.474 ( 0.263 4.277 5.030) 6.608 14.681 ( -13.003 -10.074 2.267) 16.605 15.225 ( -0.943 3.507 -6.214) 7.197 16.654 ( -11.115 -8.265 -2.243) 14.031 ======================= Grid point 1214 (435/670) ======================= q-point: ( 0.58 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( 22.298 10.964 -4.590) 25.268 5.924 ( 10.714 20.952 0.920) 23.550 6.219 ( 15.031 35.904 -0.695) 38.930 8.130 ( 15.166 22.873 -9.298) 28.976 8.324 ( 21.957 4.462 -3.827) 22.731 9.626 ( -0.828 -0.765 2.331) 2.589 12.677 ( 0.564 -8.555 -3.104) 9.118 13.328 ( 6.448 -3.835 2.173) 7.811 14.248 ( -19.587 -14.861 1.010) 24.607 14.591 ( 2.932 6.837 4.647) 8.771 15.241 ( -3.419 8.756 -6.794) 11.598 16.401 ( -9.830 -4.983 0.916) 11.058 ======================= Grid point 1215 (436/670) ======================= q-point: ( 0.63 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.654 ( 22.731 5.688 -4.867) 23.932 6.230 ( 2.041 22.584 -2.801) 22.848 6.805 ( 11.514 29.567 2.403) 31.821 8.436 ( 10.679 7.949 -10.856) 17.178 8.736 ( 18.333 3.285 -2.999) 18.865 9.673 ( 5.510 0.109 2.531) 6.064 12.548 ( -2.381 -8.328 -6.146) 10.620 13.466 ( 8.617 -3.891 -0.412) 9.464 13.775 ( -15.156 -14.688 7.852) 22.519 14.743 ( 2.755 8.897 5.054) 10.597 15.214 ( -7.061 10.093 -6.684) 14.014 16.228 ( -7.768 -0.626 2.661) 8.235 ======================= Grid point 1216 (437/670) ======================= q-point: ( 0.68 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.022 ( 18.016 -0.699 -4.454) 18.572 6.436 ( -3.283 23.021 -2.995) 23.445 7.184 ( 0.818 22.299 2.368) 22.439 8.611 ( 9.469 0.235 -10.241) 13.950 8.971 ( 9.169 0.574 -4.022) 10.029 9.810 ( 10.391 -5.141 3.553) 12.125 12.416 ( -1.450 -5.751 -6.233) 8.604 13.215 ( -14.952 -11.004 -8.269) 20.323 13.820 ( 14.790 -5.510 16.613) 22.915 14.859 ( -2.659 7.287 4.722) 9.081 15.192 ( -4.688 13.575 -5.378) 15.335 16.134 ( -5.832 2.860 3.015) 7.162 ======================= Grid point 1217 (438/670) ======================= q-point: (-0.26 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.197 ( 8.032 -7.120 -4.041) 11.469 6.549 ( -8.917 22.519 -2.864) 24.389 7.288 ( -11.144 14.905 2.240) 18.745 8.683 ( 5.947 -5.451 -9.387) 12.377 9.068 ( 4.474 -0.169 -5.199) 6.861 9.900 ( 6.519 -11.439 4.585) 13.942 12.338 ( -2.209 0.321 -6.488) 6.862 12.899 ( -3.780 -11.401 -4.253) 12.742 14.097 ( 15.455 -4.217 12.622) 20.395 14.818 ( -9.428 5.044 2.567) 10.997 15.295 ( -0.313 15.866 -2.248) 16.028 16.107 ( -2.492 4.428 2.899) 5.850 ======================= Grid point 1218 (439/670) ======================= q-point: (-0.21 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( -4.201 -11.412 -3.822) 12.747 6.534 ( -16.790 18.790 -2.666) 25.339 7.131 ( -21.343 10.185 2.312) 23.761 8.629 ( 0.518 -9.864 -9.359) 13.607 9.096 ( 1.878 -0.592 -6.077) 6.388 9.818 ( -3.998 -13.143 5.397) 14.760 12.279 ( -5.069 5.363 -5.727) 9.341 12.866 ( 13.444 -10.190 -1.940) 16.981 14.350 ( 13.668 -3.894 8.361) 16.489 14.692 ( -10.514 3.526 2.356) 11.337 15.425 ( -2.429 14.260 -1.219) 14.517 16.171 ( 3.932 4.413 2.547) 6.436 ======================= Grid point 1219 (440/670) ======================= q-point: (-0.16 0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -15.701 -12.174 -3.840) 20.235 6.259 ( -30.335 7.091 -1.691) 31.198 6.837 ( -25.095 12.655 1.731) 28.158 8.440 ( -5.575 -11.246 -9.145) 15.530 9.042 ( -6.145 -2.614 -7.695) 10.189 9.587 ( -9.579 -8.508 6.795) 14.502 12.248 ( -2.664 5.844 -3.168) 7.161 13.097 ( 22.087 -6.324 -2.317) 23.092 14.510 ( -2.143 1.215 1.214) 2.746 14.596 ( 4.388 -3.886 5.891) 8.310 15.466 ( -6.585 10.415 -0.845) 12.351 16.352 ( 11.171 3.523 1.382) 11.795 ======================= Grid point 1229 (441/670) ======================= q-point: ( 0.37 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.000 20.117 16.902) 26.275 3.049 ( 0.000 36.999 11.016) 38.604 5.090 ( -0.000 13.959 -3.135) 14.306 5.336 ( -0.000 58.280 -3.029) 58.359 7.047 ( -0.000 26.789 -7.334) 27.775 10.305 ( 0.000 -23.281 12.613) 26.478 12.500 ( 0.000 -9.983 0.278) 9.987 14.088 ( -0.000 1.589 -9.878) 10.005 14.220 ( -0.000 7.462 -0.716) 7.496 14.671 ( 0.000 -4.161 1.081) 4.299 15.682 ( 0.000 -8.456 6.328) 10.562 17.316 ( -0.000 -7.969 -9.265) 12.221 ======================= Grid point 1230 (442/670) ======================= q-point: ( 0.42 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 2.753 23.563 10.585) 25.978 3.595 ( 14.306 38.637 10.741) 42.577 5.264 ( 4.569 15.921 -4.034) 17.047 5.987 ( 10.260 54.919 -4.122) 56.021 7.317 ( 4.816 23.086 -6.208) 24.386 10.096 ( -4.120 -18.316 8.631) 20.662 12.438 ( 3.068 -8.481 1.643) 9.167 13.907 ( -12.898 3.389 -8.151) 15.630 14.451 ( 11.658 3.295 -0.394) 12.122 14.605 ( -2.384 -0.783 0.699) 2.605 15.571 ( -3.675 -11.323 2.821) 12.234 17.169 ( -2.895 -9.954 -8.132) 13.175 ======================= Grid point 1231 (443/670) ======================= q-point: ( 0.47 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 4.934 24.010 3.755) 24.797 4.355 ( 23.506 37.675 10.304) 45.586 5.529 ( 7.592 19.495 -5.885) 21.733 6.716 ( 16.309 46.705 -4.641) 49.688 7.614 ( 7.149 19.552 -5.219) 21.462 9.884 ( -5.189 -12.336 5.128) 14.332 12.445 ( 5.825 -7.617 3.370) 10.164 13.677 ( -13.013 1.551 -7.906) 15.305 14.492 ( -0.857 -3.102 3.807) 4.985 14.752 ( 8.164 7.192 -0.683) 10.902 15.358 ( -6.729 -12.027 -1.923) 13.915 16.958 ( -5.898 -11.081 -6.273) 14.033 ======================= Grid point 1232 (444/670) ======================= q-point: ( 0.53 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 8.046 21.785 -1.265) 23.258 5.182 ( 25.678 32.656 8.699) 42.443 5.872 ( 9.279 25.534 -7.209) 28.108 7.415 ( 19.393 33.318 -4.018) 38.760 7.904 ( 7.041 17.422 -5.268) 19.515 9.726 ( -3.895 -6.133 2.894) 7.821 12.502 ( 7.256 -7.465 4.183) 11.219 13.437 ( -10.897 -2.125 -5.644) 12.455 14.506 ( 1.612 1.872 4.550) 5.177 14.798 ( -8.399 -6.507 1.065) 10.678 15.203 ( 2.276 0.392 -7.234) 7.594 16.712 ( -7.488 -10.293 -3.589) 13.224 ======================= Grid point 1233 (445/670) ======================= q-point: ( 0.58 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 11.897 17.349 -3.877) 21.390 5.890 ( 19.017 23.719 3.866) 30.646 6.331 ( 13.032 33.690 -4.408) 36.391 7.994 ( 20.465 13.905 -1.727) 24.802 8.162 ( 5.392 18.593 -7.194) 20.653 9.650 ( -1.913 -1.179 1.784) 2.869 12.549 ( 4.401 -7.765 1.592) 9.066 13.256 ( -3.054 -4.984 0.334) 5.855 14.438 ( -17.985 -12.379 -2.407) 21.966 14.616 ( 3.990 6.426 4.709) 8.910 15.289 ( 3.178 6.084 -6.830) 9.683 16.488 ( -6.932 -7.113 -0.599) 9.950 ======================= Grid point 1234 (446/670) ======================= q-point: ( 0.63 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 15.323 11.359 -4.344) 19.562 6.352 ( 9.345 22.020 -1.614) 23.975 6.911 ( 13.654 32.895 0.464) 35.619 8.304 ( 9.674 2.299 -4.471) 10.902 8.479 ( 13.879 12.251 -4.585) 19.072 9.637 ( 0.057 -0.190 1.503) 1.516 12.484 ( -1.763 -8.241 -2.715) 8.854 13.270 ( 8.577 -5.281 6.033) 11.741 13.971 ( -20.145 -11.389 -2.881) 23.320 14.793 ( 4.575 9.613 4.952) 11.742 15.340 ( -1.177 5.852 -6.881) 9.110 16.337 ( -5.293 -2.370 1.509) 5.992 ======================= Grid point 1235 (447/670) ======================= q-point: ( 0.68 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.720 ( 15.779 4.392 -3.832) 16.821 6.673 ( 2.601 23.687 -2.694) 23.981 7.393 ( 5.491 27.392 1.973) 28.006 8.432 ( 7.072 -0.737 -6.599) 9.701 8.767 ( 12.852 1.970 -3.371) 13.432 9.649 ( 3.215 -4.774 2.140) 6.141 12.352 ( -1.789 -7.481 -3.040) 8.271 13.360 ( -6.237 -2.056 -8.994) 11.137 13.605 ( 0.915 -11.544 13.478) 17.769 14.974 ( 1.522 9.850 5.480) 11.374 15.337 ( -2.367 7.364 -6.787) 10.291 16.259 ( -4.458 1.529 2.131) 5.172 ======================= Grid point 1236 (448/670) ======================= q-point: (-0.26 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.957 ( 11.351 -2.353 -3.391) 12.078 6.893 ( -4.088 24.584 -2.580) 25.055 7.635 ( -6.639 20.817 2.436) 21.985 8.487 ( 5.901 -5.749 -7.069) 10.856 8.942 ( 8.321 -0.338 -4.115) 9.289 9.667 ( 6.977 -11.390 3.183) 13.732 12.282 ( 2.291 -4.553 -1.764) 5.394 13.011 ( -17.734 -2.760 -9.159) 20.150 13.798 ( 17.241 -8.001 12.748) 22.886 15.028 ( -6.762 5.941 4.056) 9.873 15.406 ( 1.960 11.527 -4.653) 12.584 16.219 ( -4.039 3.281 2.034) 5.587 ======================= Grid point 1237 (449/670) ======================= q-point: (-0.21 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.023 ( 2.763 -6.730 -3.355) 8.012 6.984 ( -12.338 22.004 -2.652) 25.366 7.605 ( -17.641 15.013 2.638) 23.314 8.461 ( 3.297 -10.255 -6.880) 12.782 9.026 ( 3.869 0.161 -5.165) 6.455 9.675 ( 6.069 -13.420 3.770) 15.203 12.332 ( 5.215 1.287 -0.526) 5.397 12.710 ( -8.849 -3.161 -6.263) 11.292 14.059 ( 16.755 -7.620 8.264) 20.176 14.929 ( -10.840 3.717 2.631) 11.757 15.550 ( 1.808 11.294 -2.910) 11.802 16.204 ( -1.846 3.105 1.823) 4.046 ======================= Grid point 1238 (450/670) ======================= q-point: (-0.16 0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( -7.367 -7.190 -3.670) 10.929 6.827 ( -25.100 11.151 -2.258) 27.558 7.395 ( -23.239 13.627 1.730) 26.995 8.355 ( -0.242 -9.902 -6.020) 11.591 9.046 ( 0.168 0.551 -6.732) 6.757 9.618 ( -1.051 -10.036 4.493) 11.046 12.389 ( -5.840 7.973 -0.714) 9.909 12.692 ( 15.374 -5.372 -2.768) 16.519 14.277 ( 14.787 -8.011 3.858) 17.254 14.768 ( -11.706 2.082 2.363) 12.122 15.636 ( -2.518 7.981 -2.385) 8.702 16.248 ( 4.002 1.648 1.094) 4.464 ======================= Grid point 1249 (451/670) ======================= q-point: ( 0.42 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 0.000 28.353 9.326) 29.847 3.889 ( 0.000 39.186 7.979) 39.990 5.362 ( -0.000 15.613 -2.840) 15.869 6.431 ( -0.000 53.319 -5.053) 53.558 7.489 ( -0.000 23.219 -5.143) 23.781 9.986 ( 0.000 -15.789 6.126) 16.936 12.341 ( 0.000 -6.992 2.419) 7.398 14.059 ( -0.000 1.484 -6.398) 6.568 14.369 ( -0.000 7.375 0.357) 7.384 14.588 ( 0.000 -4.631 0.331) 4.643 15.491 ( 0.000 -12.351 -0.424) 12.359 17.057 ( -0.000 -11.484 -7.601) 13.771 ======================= Grid point 1250 (452/670) ======================= q-point: ( 0.47 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -1.300 29.469 4.846) 29.893 4.434 ( 14.214 37.447 7.241) 40.703 5.567 ( 6.091 17.466 -3.178) 18.768 6.967 ( 6.332 44.899 -5.518) 45.677 7.733 ( 2.684 24.174 -3.675) 24.598 9.845 ( -2.251 -11.284 3.652) 12.072 12.314 ( 2.915 -6.161 3.754) 7.781 13.904 ( -13.405 0.691 -4.571) 14.180 14.469 ( 1.250 -1.932 3.962) 4.582 14.643 ( 10.009 4.173 -2.253) 11.076 15.321 ( -4.141 -12.317 -4.497) 13.750 16.886 ( -2.462 -12.743 -6.474) 14.504 ======================= Grid point 1251 (453/670) ======================= q-point: ( 0.53 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.850 ( -0.958 27.721 0.386) 27.740 5.124 ( 21.161 31.530 6.212) 38.477 5.901 ( 11.365 22.174 -4.188) 25.266 7.466 ( 9.639 29.772 -4.158) 31.569 8.026 ( 2.886 26.379 -3.172) 26.725 9.730 ( -2.267 -5.278 1.899) 6.050 12.341 ( 5.224 -6.127 4.823) 9.386 13.624 ( -15.100 -3.321 -2.676) 15.691 14.498 ( 2.516 0.736 4.556) 5.256 14.816 ( 2.234 -1.966 -0.836) 3.092 15.126 ( -0.304 -4.654 -9.230) 10.341 16.680 ( -3.873 -12.452 -4.530) 13.805 ======================= Grid point 1252 (454/670) ======================= q-point: ( 0.58 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( 0.992 23.598 -2.287) 23.730 5.787 ( 21.006 22.820 3.126) 31.173 6.376 ( 15.841 28.597 -3.536) 32.882 7.856 ( 10.996 14.740 -0.857) 18.410 8.304 ( 1.084 24.015 -4.221) 24.407 9.681 ( -1.580 0.449 0.838) 1.844 12.397 ( 5.821 -6.331 4.214) 9.577 13.328 ( -11.451 -7.216 1.124) 13.582 14.590 ( -12.841 -9.633 -4.645) 16.711 14.616 ( 4.037 5.689 3.351) 7.739 15.210 ( 8.005 3.361 -7.171) 11.260 16.489 ( -3.471 -9.631 -1.967) 10.425 ======================= Grid point 1253 (455/670) ======================= q-point: ( 0.63 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.343 ( 4.262 17.639 -2.971) 18.389 6.324 ( 16.958 19.042 -0.635) 25.506 6.959 ( 17.513 29.738 -1.282) 34.535 8.134 ( 9.809 4.550 1.262) 10.886 8.502 ( 0.757 16.178 -4.589) 16.833 9.668 ( -2.270 1.801 0.247) 2.909 12.414 ( 1.337 -6.271 0.408) 6.425 13.146 ( -0.395 -9.326 7.306) 11.854 14.196 ( -18.412 -6.940 -8.196) 21.315 14.811 ( 6.451 9.378 4.710) 12.318 15.322 ( 4.548 1.938 -6.722) 8.344 16.367 ( -1.877 -4.807 0.216) 5.165 ======================= Grid point 1254 (456/670) ======================= q-point: ( 0.68 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.576 ( 7.412 10.494 -2.494) 13.087 6.764 ( 12.003 20.232 -2.099) 23.618 7.516 ( 13.266 26.734 0.278) 29.846 8.293 ( 6.458 -1.153 0.161) 6.562 8.635 ( 3.660 6.698 -3.481) 8.389 9.619 ( -3.241 -2.743 0.442) 4.269 12.320 ( -3.363 -6.075 -1.970) 7.218 13.195 ( 11.343 -8.679 9.716) 17.274 13.773 ( -20.146 -4.008 -7.484) 21.861 15.041 ( 5.283 10.972 5.275) 13.271 15.363 ( 1.726 1.679 -6.701) 7.120 16.321 ( -1.197 -0.594 1.084) 1.720 ======================= Grid point 1255 (457/670) ======================= q-point: ( 0.74 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( 8.132 3.499 -2.017) 9.079 7.124 ( 5.278 22.916 -1.990) 23.600 7.905 ( 2.366 20.719 1.727) 20.925 8.348 ( 2.726 -2.127 -2.660) 4.363 8.751 ( 8.829 -1.539 -2.828) 9.398 9.515 ( -1.264 -9.391 1.353) 9.572 12.214 ( -1.005 -4.647 -0.962) 4.850 13.284 ( -11.258 1.072 -8.055) 13.885 13.481 ( 7.400 -9.966 9.863) 15.854 15.190 ( -2.548 6.385 5.104) 8.562 15.418 ( 4.698 6.474 -5.854) 9.913 16.304 ( -2.019 1.368 1.112) 2.680 ======================= Grid point 1256 (458/670) ======================= q-point: (-0.21 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.897 ( 5.145 -1.088 -2.112) 5.667 7.359 ( -5.276 23.095 -2.028) 23.776 8.015 ( -7.782 11.952 2.871) 14.548 8.309 ( -2.411 -5.036 -3.898) 6.809 8.896 ( 10.096 -0.902 -4.336) 11.025 9.438 ( 5.123 -12.474 2.544) 13.723 12.210 ( 5.005 -2.180 0.628) 5.495 12.963 ( -18.983 4.040 -7.232) 20.711 13.693 ( 18.267 -10.182 7.627) 22.261 15.140 ( -8.343 2.272 2.734) 9.069 15.575 ( 4.886 8.220 -3.269) 10.105 16.280 ( -2.864 1.361 1.081) 3.350 ======================= Grid point 1257 (459/670) ======================= q-point: (-0.16 0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.910 ( -1.073 -1.578 -2.740) 3.339 7.315 ( -19.453 10.993 -2.743) 22.512 7.919 ( -21.293 12.282 2.194) 24.679 8.206 ( 4.923 -8.366 -2.730) 10.084 9.009 ( 3.593 2.919 -6.154) 7.701 9.465 ( 8.025 -9.301 3.281) 12.715 12.354 ( 12.245 0.176 1.474) 12.334 12.698 ( -14.648 5.794 -3.422) 16.120 13.920 ( 17.157 -10.239 2.591) 20.147 14.994 ( -11.016 0.672 2.383) 11.291 15.691 ( 1.858 5.018 -3.201) 6.236 16.248 ( -1.698 -0.043 1.106) 2.027 ======================= Grid point 1269 (460/670) ======================= q-point: ( 0.47 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 0.000 31.079 4.341) 31.380 4.689 ( 0.000 34.750 4.522) 35.043 5.677 ( -0.000 17.981 -1.413) 18.036 7.305 ( -0.000 36.046 -6.073) 36.554 7.971 ( -0.000 29.780 -1.759) 29.832 9.776 ( 0.000 -7.848 1.995) 8.097 12.249 ( 0.000 -5.351 4.727) 7.140 14.036 ( -0.000 -1.609 -1.048) 1.920 14.450 ( 0.000 -5.162 4.143) 6.619 14.555 ( -0.000 6.486 -3.472) 7.357 15.216 ( -0.000 -10.954 -7.979) 13.552 16.747 ( -0.000 -14.114 -6.098) 15.375 ======================= Grid point 1270 (461/670) ======================= q-point: ( 0.53 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( -4.140 29.791 1.836) 30.134 5.140 ( 12.746 27.711 3.291) 30.679 5.933 ( 7.752 21.330 -1.066) 22.720 7.618 ( 3.196 24.847 -4.358) 25.428 8.284 ( 0.324 31.063 -1.000) 31.081 9.723 ( -0.726 -1.650 0.661) 1.920 12.237 ( 2.498 -5.460 5.713) 8.287 13.844 ( -14.915 -5.584 0.534) 15.935 14.458 ( 4.352 -2.629 4.573) 6.838 14.702 ( 7.908 3.217 -2.720) 8.960 15.058 ( -2.374 -6.341 -11.717) 13.533 16.571 ( -1.184 -14.174 -4.895) 15.042 ======================= Grid point 1271 (462/670) ======================= q-point: ( 0.58 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -5.490 26.424 -0.288) 26.990 5.658 ( 18.442 18.846 1.704) 26.423 6.359 ( 14.766 24.827 -1.077) 28.907 7.883 ( 4.618 16.833 -0.781) 17.472 8.546 ( -1.853 23.516 -1.296) 23.625 9.730 ( -1.066 5.471 -0.325) 5.583 12.265 ( 4.508 -5.879 5.890) 9.464 13.494 ( -16.029 -9.553 2.411) 18.815 14.565 ( 5.604 -0.644 4.558) 7.252 14.694 ( -6.424 -1.141 -7.505) 9.945 15.049 ( 8.593 1.414 -9.043) 12.555 16.406 ( -0.583 -11.760 -2.879) 12.121 ======================= Grid point 1272 (463/670) ======================= q-point: ( 0.63 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( -4.739 21.196 -0.939) 21.739 6.160 ( 20.289 14.304 -0.167) 24.825 6.896 ( 18.973 23.516 -0.977) 30.232 8.100 ( 4.085 10.312 2.472) 11.364 8.680 ( -3.539 14.646 -1.338) 15.127 9.760 ( -3.700 7.226 -1.086) 8.191 12.311 ( 4.637 -5.282 3.875) 8.026 13.160 ( -10.539 -12.226 5.922) 17.194 14.392 ( -13.655 -3.323 -10.132) 17.325 14.796 ( 7.418 8.920 3.893) 12.237 15.182 ( 8.612 -1.045 -6.973) 11.130 16.310 ( 1.292 -7.077 -0.876) 7.247 ======================= Grid point 1273 (464/670) ======================= q-point: ( 0.68 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.657 ( -2.340 14.591 -0.526) 14.787 6.645 ( 19.917 13.785 -1.148) 24.249 7.450 ( 20.135 19.359 -1.036) 27.951 8.235 ( 1.772 3.723 3.949) 5.709 8.726 ( -3.866 9.053 -0.959) 9.890 9.707 ( -7.632 2.155 -1.203) 8.021 12.314 ( -0.969 -3.429 -0.652) 3.622 12.987 ( 2.906 -13.359 10.678) 17.347 14.061 ( -18.208 0.802 -10.773) 21.171 15.051 ( 8.130 10.897 4.405) 14.292 15.264 ( 6.075 -2.679 -5.966) 8.926 16.295 ( 2.337 -2.736 0.046) 3.598 ======================= Grid point 1274 (465/670) ======================= q-point: ( 0.74 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.752 ( 0.601 7.812 -0.054) 7.835 7.112 ( 17.580 15.468 -1.007) 23.438 7.939 ( 14.841 14.378 -1.239) 20.700 8.279 ( 2.624 -1.176 3.273) 4.357 8.722 ( -4.525 4.543 -0.322) 6.421 9.539 ( -9.270 -4.554 -0.677) 10.350 12.223 ( -4.245 -2.061 -1.681) 5.009 13.062 ( 14.124 -12.112 10.253) 21.244 13.709 ( -20.393 3.740 -8.952) 22.583 15.270 ( 1.504 2.213 3.485) 4.393 15.337 ( 8.404 5.953 -4.031) 11.059 16.316 ( 1.411 -0.651 0.120) 1.559 ======================= Grid point 1275 (466/670) ======================= q-point: (-0.21 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( 2.496 3.192 -0.204) 4.058 7.541 ( 11.492 19.010 -0.600) 22.222 8.040 ( -3.727 -6.462 0.298) 7.466 8.514 ( 7.333 17.090 0.796) 18.614 8.643 ( -0.048 -7.469 -1.105) 7.550 9.339 ( -5.084 -7.379 0.141) 8.961 12.159 ( -0.595 -0.198 -0.298) 0.695 13.229 ( 7.250 -7.039 2.131) 10.328 13.405 ( -10.050 1.936 -1.773) 10.387 15.252 ( -2.543 -2.067 0.424) 3.304 15.544 ( 6.041 7.865 -0.553) 9.932 16.319 ( -0.628 -0.581 0.139) 0.867 ======================= Grid point 1276 (467/670) ======================= q-point: (-0.16 0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.898 ( 1.823 2.634 -1.018) 3.361 7.697 ( -15.938 5.943 -2.091) 17.138 7.995 ( 11.638 -4.214 0.265) 12.380 8.362 ( -17.902 2.278 2.010) 18.158 8.904 ( 12.697 8.451 -4.391) 15.872 9.265 ( 4.336 -5.738 1.972) 7.458 12.209 ( 5.460 1.778 0.399) 5.756 13.044 ( -17.162 6.419 -1.709) 18.403 13.522 ( 16.738 -9.525 1.604) 19.325 15.151 ( -6.596 -2.698 1.258) 7.236 15.677 ( 2.880 3.695 -1.664) 4.971 16.282 ( -2.281 -1.840 0.452) 2.965 ======================= Grid point 1289 (468/670) ======================= q-point: ( 0.53 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( 0.000 27.956 2.224) 28.045 5.282 ( 0.000 21.465 1.455) 21.515 6.080 ( -0.000 22.685 0.264) 22.686 7.804 ( -0.000 20.488 -2.662) 20.661 8.582 ( -0.000 26.959 0.201) 26.960 9.746 ( -0.000 5.982 -0.450) 5.999 12.184 ( 0.000 -5.828 6.648) 8.841 13.951 ( 0.000 -8.171 3.228) 8.786 14.336 ( 0.000 -7.370 2.748) 7.865 14.682 ( -0.000 6.974 -2.382) 7.370 14.982 ( -0.000 -3.083 -14.226) 14.557 16.415 ( -0.000 -14.596 -4.407) 15.247 ======================= Grid point 1290 (469/670) ======================= q-point: ( 0.58 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -5.411 24.600 1.530) 25.235 5.566 ( 11.053 14.184 0.924) 18.006 6.387 ( 8.636 22.722 0.134) 24.308 8.002 ( 1.540 16.926 0.555) 17.005 8.786 ( -1.914 16.448 0.562) 16.569 9.841 ( -1.036 14.229 -1.298) 14.325 12.168 ( 2.332 -6.694 7.162) 10.077 13.688 ( -16.110 -10.967 3.117) 19.737 14.409 ( 10.595 -5.485 3.500) 12.434 14.745 ( -0.435 4.809 -4.649) 6.703 14.922 ( 2.143 1.598 -13.611) 13.871 16.267 ( 0.798 -12.543 -2.976) 12.916 ======================= Grid point 1291 (470/670) ======================= q-point: ( 0.63 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.872 ( -7.953 20.043 1.228) 21.598 5.941 ( 18.035 9.728 0.472) 20.497 6.803 ( 14.982 18.517 -0.481) 23.824 8.187 ( 1.295 12.776 3.837) 13.403 8.864 ( -3.359 9.004 0.817) 9.645 9.939 ( -4.938 14.516 -2.020) 15.465 12.189 ( 4.761 -6.516 6.592) 10.420 13.294 ( -16.338 -11.991 3.754) 20.611 14.481 ( -1.217 -2.695 -4.779) 5.619 14.785 ( 3.668 8.897 -1.394) 9.724 14.985 ( 7.829 -1.443 -8.688) 11.784 16.188 ( 3.063 -8.039 -1.344) 8.707 ======================= Grid point 1292 (471/670) ======================= q-point: ( 0.68 0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.906 ( -8.270 14.165 1.631) 16.483 6.379 ( 22.084 8.093 0.157) 23.520 7.250 ( 19.203 11.985 -1.167) 22.667 8.313 ( -1.061 7.537 5.838) 9.593 8.877 ( -3.815 6.014 1.320) 7.243 9.912 ( -10.445 7.922 -2.342) 13.317 12.248 ( 5.224 -3.749 3.625) 7.381 12.951 ( -10.267 -12.433 6.130) 17.250 14.314 ( -12.709 3.019 -10.225) 16.588 15.018 ( 9.319 10.234 3.068) 14.177 15.068 ( 8.825 -4.964 -6.075) 11.808 16.197 ( 4.691 -3.711 -0.636) 6.015 ======================= Grid point 1293 (472/670) ======================= q-point: (-0.26 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.893 ( -6.404 7.879 2.052) 10.359 6.858 ( 23.656 7.818 0.487) 24.919 7.688 ( 21.814 5.292 -2.034) 22.539 8.333 ( -4.713 1.929 5.908) 7.800 8.869 ( -4.277 5.082 2.240) 7.009 9.728 ( -14.323 1.130 -2.144) 14.526 12.280 ( -1.735 1.093 -1.478) 2.528 12.791 ( 4.449 -13.280 9.624) 16.994 14.057 ( -17.528 6.061 -9.373) 20.780 15.135 ( 7.789 -5.722 -5.116) 10.935 15.300 ( 8.689 10.220 4.452) 14.134 16.250 ( 4.292 -1.636 -0.711) 4.648 ======================= Grid point 1294 (473/670) ======================= q-point: (-0.21 -0.47 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.874 ( -2.638 3.444 1.883) 4.729 7.340 ( 22.860 6.134 1.344) 23.706 8.048 ( 12.628 0.007 -2.902) 12.957 8.265 ( 0.749 -4.788 3.823) 6.173 8.849 ( -5.833 6.820 3.781) 9.738 9.463 ( -13.888 -1.147 -1.968) 14.073 12.224 ( -4.980 3.677 -1.627) 6.400 12.881 ( 14.693 -12.167 7.052) 20.338 13.773 ( -19.549 8.049 -6.311) 22.063 15.173 ( 5.128 -6.479 -3.064) 8.813 15.536 ( 5.656 8.513 3.398) 10.770 16.290 ( 2.228 -1.616 -0.784) 2.862 ======================= Grid point 1309 (474/670) ======================= q-point: ( 0.58 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.046 ( 0.000 19.999 2.732) 20.185 5.589 ( 0.000 9.706 0.729) 9.734 6.524 ( -0.000 19.600 -0.013) 19.600 8.160 ( 0.000 15.470 3.290) 15.816 8.927 ( 0.000 8.002 1.232) 8.096 10.025 ( -0.000 20.033 -1.871) 20.121 12.103 ( 0.000 -8.044 7.931) 11.297 13.773 ( 0.000 -10.761 2.993) 11.169 14.218 ( 0.000 -6.206 2.695) 6.766 14.781 ( -0.000 4.760 -2.754) 5.499 14.884 ( -0.000 4.195 -16.345) 16.875 16.129 ( -0.000 -10.711 -2.061) 10.908 ======================= Grid point 1310 (475/670) ======================= q-point: ( 0.63 0.58 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.181 ( -5.516 14.924 3.159) 16.221 5.766 ( 10.807 6.040 0.956) 12.417 6.762 ( 7.857 13.509 -0.655) 15.642 8.322 ( 0.141 12.325 6.311) 13.847 8.974 ( -1.544 3.967 1.602) 4.548 10.176 ( -4.128 16.755 -2.517) 17.439 12.075 ( 2.929 -8.159 8.021) 11.810 13.496 ( -16.883 -8.987 2.199) 19.252 14.327 ( 12.179 -4.012 1.934) 12.968 14.828 ( 1.107 6.522 -4.813) 8.181 14.864 ( 0.788 2.047 -13.200) 13.381 16.058 ( 2.482 -6.213 -0.861) 6.746 ======================= Grid point 1311 (476/670) ======================= q-point: (-0.32 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.189 ( -8.616 9.175 3.500) 13.064 6.080 ( 18.941 4.002 1.212) 19.398 7.044 ( 13.915 5.650 -1.381) 15.081 8.442 ( -1.527 7.628 8.325) 11.394 8.979 ( -2.279 2.714 2.244) 4.195 10.170 ( -9.861 8.041 -3.038) 13.082 12.112 ( 6.291 -5.867 6.925) 11.043 13.119 ( -17.470 -6.702 2.286) 18.851 14.435 ( 0.196 1.449 -4.387) 4.624 14.858 ( 5.167 -2.956 -9.039) 10.823 14.968 ( 7.775 8.586 -0.612) 11.600 16.079 ( 4.537 -1.907 -0.582) 4.956 ======================= Grid point 1312 (477/670) ======================= q-point: (-0.26 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( -9.282 3.107 3.752) 10.482 6.496 ( 24.026 2.901 1.707) 24.261 7.340 ( 18.808 -1.868 -2.120) 19.019 8.471 ( -4.831 2.380 8.436) 10.008 8.972 ( -2.465 2.309 3.259) 4.694 9.988 ( -14.043 0.672 -3.028) 14.382 12.221 ( 7.877 -1.917 3.861) 8.979 12.803 ( -12.977 -4.916 3.694) 14.360 14.342 ( -11.312 6.313 -8.085) 15.271 14.905 ( 8.528 -6.752 -5.182) 12.049 15.239 ( 11.108 9.256 2.721) 14.713 16.153 ( 4.822 0.041 -1.033) 4.931 ======================= Grid point 1313 (478/670) ======================= q-point: (-0.21 -0.42 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( -6.602 -1.199 3.542) 7.588 6.954 ( 25.260 -0.116 2.487) 25.383 7.637 ( 22.074 -7.714 -2.827) 23.553 8.383 ( -8.669 -2.025 6.605) 11.085 8.970 ( -2.011 2.599 4.621) 5.670 9.713 ( -14.989 -1.152 -2.909) 15.312 12.338 ( 1.428 5.323 -1.470) 5.704 12.635 ( -0.134 -7.388 6.749) 10.008 14.144 ( -16.189 8.297 -6.520) 19.325 14.964 ( 8.340 -8.009 -3.572) 12.103 15.513 ( 8.520 7.624 3.650) 12.002 16.222 ( 3.397 -0.090 -1.351) 3.657 ======================= Grid point 1329 (479/670) ======================= q-point: (-0.37 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.362 ( 0.000 8.388 4.576) 9.555 5.717 ( 0.000 2.951 1.065) 3.137 6.793 ( -0.000 6.694 -1.117) 6.787 8.463 ( 0.000 9.612 9.072) 13.216 9.021 ( 0.000 1.949 2.079) 2.850 10.348 ( -0.000 10.688 -3.260) 11.174 11.998 ( 0.000 -7.760 8.439) 11.464 13.624 ( 0.000 -4.702 1.345) 4.891 14.142 ( 0.000 -3.257 2.773) 4.277 14.826 ( -0.000 2.079 -3.246) 3.855 14.864 ( -0.000 5.493 -15.906) 16.828 15.994 ( 0.000 -1.421 -0.051) 1.422 ======================= Grid point 1330 (480/670) ======================= q-point: (-0.32 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.383 ( -5.193 1.717 4.889) 7.337 5.840 ( 11.438 0.677 1.559) 11.563 6.877 ( 7.126 -1.539 -1.638) 7.472 8.568 ( -1.168 5.183 10.982) 12.200 9.036 ( -1.069 1.366 2.855) 3.341 10.341 ( -5.556 0.183 -4.000) 6.848 11.996 ( 3.597 -4.814 7.880) 9.910 13.405 ( -17.874 -0.802 1.171) 17.931 14.289 ( 12.978 -1.195 1.746) 13.149 14.801 ( -2.145 1.220 -10.557) 10.842 14.914 ( 5.527 5.843 -6.031) 10.053 16.024 ( 2.025 3.148 -0.158) 3.746 ======================= Grid point 1331 (481/670) ======================= q-point: (-0.26 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.268 ( -7.958 -4.746 4.737) 10.406 6.124 ( 20.221 -1.123 2.231) 20.374 6.996 ( 13.648 -8.958 -2.208) 16.473 8.597 ( -3.736 0.051 11.189) 11.796 9.036 ( -1.671 0.944 3.972) 4.411 10.150 ( -9.300 -7.701 -4.221) 12.791 12.080 ( 6.742 -2.042 6.280) 9.437 13.094 ( -18.937 3.127 1.326) 19.239 14.454 ( 3.887 2.077 -1.949) 4.819 14.734 ( -0.083 -1.622 -8.827) 8.976 15.122 ( 12.021 6.714 -0.833) 13.795 16.107 ( 2.495 5.253 -0.940) 5.890 ======================= Grid point 1332 (482/670) ======================= q-point: (-0.21 -0.37 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.074 ( -7.428 -9.284 4.378) 12.670 6.502 ( 24.659 -5.119 2.785) 25.338 7.159 ( 19.546 -13.351 -2.650) 23.818 8.520 ( -7.058 -4.475 9.515) 12.664 9.032 ( -1.471 0.435 5.296) 5.514 9.873 ( -10.009 -9.332 -4.244) 14.328 12.224 ( 8.947 -0.831 3.907) 9.799 12.843 ( -16.285 7.002 1.968) 17.835 14.430 ( -9.569 7.433 -5.606) 13.351 14.729 ( 7.007 -7.137 -4.083) 10.803 15.408 ( 12.474 5.356 1.811) 13.695 16.194 ( 1.594 5.365 -1.424) 5.775 ======================= Grid point 1349 (483/670) ======================= q-point: (-0.32 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.429 ( 0.000 -6.129 5.780) 8.424 5.734 ( 0.000 -2.084 1.350) 2.483 6.752 ( -0.000 -9.707 -1.880) 9.887 8.658 ( 0.000 1.077 12.901) 12.946 9.069 ( 0.000 0.861 3.726) 3.824 10.315 ( -0.000 -11.197 -5.045) 12.281 11.963 ( 0.000 -1.462 7.552) 7.692 13.626 ( 0.000 3.919 1.131) 4.079 14.133 ( 0.000 0.216 2.477) 2.487 14.817 ( -0.000 -0.347 -3.301) 3.319 14.869 ( -0.000 6.650 -13.289) 14.860 16.066 ( -0.000 8.222 -0.502) 8.237 ======================= Grid point 1350 (484/670) ======================= q-point: (-0.26 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.307 ( -4.631 -13.308 5.301) 15.054 5.816 ( 12.199 -4.753 2.039) 13.249 6.675 ( 7.544 -16.747 -2.248) 18.505 8.678 ( -2.165 -3.754 13.364) 14.049 9.081 ( -0.966 -0.120 4.895) 4.991 10.106 ( -3.341 -18.714 -5.790) 19.872 12.015 ( 2.961 0.791 6.497) 7.184 13.487 ( -18.170 7.758 1.500) 19.814 14.292 ( 11.433 -0.111 1.224) 11.499 14.771 ( -3.146 2.766 -7.513) 8.602 14.973 ( 8.926 4.916 -5.720) 11.686 16.164 ( 0.206 10.911 -1.427) 11.006 ======================= Grid point 1351 (485/670) ======================= q-point: (-0.21 -0.32 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.070 ( -5.816 -18.416 4.585) 19.849 6.043 ( 20.120 -10.139 2.674) 22.689 6.679 ( 15.703 -19.447 -2.671) 25.137 8.604 ( -5.073 -8.264 12.112) 15.516 9.069 ( -1.168 -2.687 6.281) 6.931 9.826 ( -3.624 -18.802 -6.379) 20.183 12.120 ( 5.145 1.306 5.106) 7.366 13.260 ( -19.113 11.897 1.851) 22.589 14.443 ( 7.719 -2.942 -0.462) 8.273 14.702 ( -6.338 5.080 -7.967) 11.378 15.214 ( 14.200 3.134 -0.772) 14.562 16.269 ( -0.701 11.752 -1.933) 11.931 ======================= Grid point 1369 (486/670) ======================= q-point: (-0.26 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.195 ( 0.000 -21.441 5.536) 22.145 5.650 ( 0.000 -8.022 1.896) 8.243 6.396 ( -0.000 -23.262 -2.506) 23.396 8.691 ( 0.000 -8.185 14.279) 16.458 9.094 ( 0.000 -3.893 5.957) 7.116 9.883 ( -0.000 -24.112 -7.328) 25.201 12.034 ( 0.000 2.699 6.093) 6.664 13.785 ( 0.000 10.128 2.112) 10.346 14.176 ( 0.000 2.147 1.503) 2.621 14.771 ( -0.000 -1.729 -2.543) 3.075 14.937 ( -0.000 8.905 -10.142) 13.497 16.285 ( -0.000 14.227 -2.484) 14.443 ======================= Grid point 1370 (487/670) ======================= q-point: (-0.21 -0.26 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.938 ( -3.109 -27.071 4.794) 27.667 5.651 ( 11.035 -15.521 2.856) 19.257 6.224 ( 9.882 -23.748 -3.152) 25.915 8.617 ( -2.730 -12.792 13.656) 18.909 9.028 ( 0.236 -14.996 6.101) 16.191 9.632 ( -0.428 -16.888 -7.674) 18.555 12.105 ( 1.945 3.397 5.515) 6.763 13.717 ( -16.884 13.007 2.604) 21.472 14.287 ( 6.640 -1.060 -0.048) 6.724 14.785 ( 1.284 2.468 -4.102) 4.957 15.037 ( 7.017 5.924 -5.556) 10.733 16.416 ( -1.064 15.707 -3.140) 16.053 ======================= Grid point 1389 (488/670) ======================= q-point: (-0.21 -0.21 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.676 ( 0.000 -33.764 4.890) 34.117 5.371 ( 0.000 -25.749 3.926) 26.046 5.888 ( -0.000 -20.585 -4.177) 21.004 8.532 ( 0.000 -21.105 13.627) 25.122 8.788 ( 0.000 -31.392 1.805) 31.444 9.515 ( -0.000 -3.039 -4.654) 5.558 12.151 ( 0.000 4.624 5.746) 7.376 14.032 ( 0.000 11.897 3.145) 12.306 14.221 ( -0.000 1.329 -0.143) 1.337 14.724 ( -0.000 -1.357 -0.878) 1.616 15.049 ( -0.000 8.730 -8.522) 12.200 16.580 ( -0.000 17.583 -4.115) 18.059 ======================= Grid point 1530 (489/670) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.000 -0.000 19.571) 19.571 1.023 ( 0.000 -0.000 19.571) 19.571 2.187 ( 0.000 -0.000 41.966) 41.966 4.503 ( -0.000 0.000 -0.889) 0.889 4.503 ( -0.000 0.000 -0.889) 0.889 12.854 ( -0.000 0.000 -10.408) 10.408 13.833 ( -0.000 0.000 -2.298) 2.298 13.833 ( -0.000 0.000 -2.298) 2.298 14.910 ( 0.000 -0.000 1.211) 1.211 14.910 ( 0.000 -0.000 1.211) 1.211 15.426 ( 0.000 -0.000 8.395) 8.395 16.837 ( -0.000 0.000 -2.154) 2.154 ======================= Grid point 1531 (490/670) ======================= q-point: ( 0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 13.203 7.623 17.459) 23.178 1.558 ( 30.636 17.688 16.292) 38.947 2.395 ( 7.564 4.367 34.386) 35.477 4.524 ( 2.779 1.605 -1.055) 3.378 5.022 ( 37.785 21.815 -10.514) 44.879 12.433 ( -36.167 -20.881 7.250) 42.387 13.608 ( -18.914 -10.920 2.604) 21.994 13.802 ( -0.061 -0.035 -2.287) 2.288 14.174 ( -26.820 -15.484 8.726) 32.175 14.946 ( 0.870 0.502 1.259) 1.610 15.509 ( 3.629 2.095 9.898) 10.748 17.351 ( 23.434 13.530 -14.853) 30.868 ======================= Grid point 1532 (491/670) ======================= q-point: ( 0.32 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 24.965 14.414 14.762) 32.387 2.160 ( 12.801 7.391 25.988) 29.897 3.008 ( 39.092 22.570 10.994) 46.459 4.617 ( 5.419 3.129 -1.559) 6.448 5.888 ( 39.024 22.531 -14.642) 47.381 11.511 ( -42.689 -24.647 25.801) 55.638 13.272 ( -10.246 -5.916 3.007) 12.208 13.815 ( 1.895 1.094 -1.751) 2.802 13.839 ( -8.341 -4.816 -7.436) 12.168 14.957 ( -0.352 -0.203 1.017) 1.096 15.626 ( 2.176 1.257 11.285) 11.562 17.593 ( 3.887 2.244 -13.500) 14.227 ======================= Grid point 1533 (492/670) ======================= q-point: ( 0.37 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 33.652 19.429 12.112) 40.702 2.525 ( 13.773 7.952 20.960) 26.311 4.090 ( 49.833 28.771 2.110) 57.581 4.751 ( 6.705 3.871 -2.342) 8.088 6.667 ( 32.911 19.001 -12.796) 40.099 10.754 ( -31.053 -17.928 21.760) 41.943 13.116 ( -4.854 -2.802 3.138) 6.423 13.658 ( -4.234 -2.445 -13.452) 14.313 13.877 ( 3.908 2.256 -0.705) 4.567 14.937 ( -1.692 -0.977 0.523) 2.023 15.667 ( -2.601 -1.501 10.593) 11.010 17.494 ( -7.403 -4.274 -10.684) 13.683 ======================= Grid point 1534 (493/670) ======================= q-point: ( 0.42 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 20.929 12.083 11.593) 26.803 3.359 ( 37.937 21.903 8.832) 44.687 4.906 ( 7.601 4.388 -2.526) 9.133 5.260 ( 50.845 29.356 -1.126) 58.722 7.311 ( 27.074 15.631 -10.926) 33.117 10.223 ( -21.290 -12.292 13.629) 28.109 13.057 ( -1.613 -0.931 2.962) 3.499 13.536 ( -1.859 -1.073 -13.364) 13.535 13.988 ( 5.627 3.249 0.693) 6.535 14.882 ( -3.081 -1.779 -0.202) 3.563 15.576 ( -8.538 -4.929 7.725) 12.525 17.210 ( -13.468 -7.776 -7.915) 17.450 ======================= Grid point 1535 (494/670) ======================= q-point: ( 0.47 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 25.538 14.744 3.915) 29.747 4.262 ( 37.378 21.580 4.323) 43.376 5.092 ( 9.516 5.494 -0.772) 11.015 6.393 ( 47.546 27.451 -3.466) 55.011 7.848 ( 23.460 13.545 -10.124) 28.920 9.865 ( -13.299 -7.678 7.195) 16.959 13.041 ( -0.747 -0.431 -1.451) 1.688 13.480 ( 0.533 0.308 -5.851) 5.883 14.135 ( 6.573 3.795 2.136) 7.884 14.793 ( -4.426 -2.555 -1.095) 5.226 15.327 ( -14.833 -8.564 3.017) 17.391 16.848 ( -15.214 -8.784 -4.170) 18.055 ======================= Grid point 1536 (495/670) ======================= q-point: ( 0.53 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 26.927 15.546 -1.153) 31.114 5.046 ( 27.337 15.783 -3.359) 31.744 5.380 ( 17.183 9.921 5.282) 20.532 7.385 ( 39.238 22.654 -6.548) 45.779 8.340 ( 22.774 13.148 -8.725) 27.707 9.663 ( -5.815 -3.357 3.360) 7.508 12.982 ( -2.853 -1.647 -9.609) 10.158 13.535 ( 4.102 2.368 7.259) 8.668 14.298 ( 6.482 3.743 3.304) 8.182 14.672 ( -5.487 -3.168 -1.991) 6.642 14.924 ( -19.869 -11.471 -2.019) 23.032 16.501 ( -13.970 -8.066 -0.111) 16.132 ======================= Grid point 1537 (496/670) ======================= q-point: ( 0.58 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.769 ( 25.007 14.438 -3.991) 29.150 5.443 ( 12.156 7.018 -3.501) 14.467 5.942 ( 25.215 14.558 4.622) 29.480 8.122 ( 27.644 15.960 -10.965) 33.751 8.806 ( 18.010 10.398 -5.417) 21.490 9.652 ( 5.201 3.003 1.856) 6.286 12.840 ( -5.494 -3.172 -13.292) 14.728 13.711 ( 6.742 3.892 16.529) 18.270 14.431 ( -20.621 -11.906 -5.568) 24.454 14.448 ( 4.771 2.754 3.007) 6.276 14.534 ( -5.156 -2.977 -1.695) 6.191 16.211 ( -11.465 -6.619 2.571) 13.486 ======================= Grid point 1538 (497/670) ======================= q-point: ( 0.63 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.265 ( 18.847 10.882 -5.441) 22.433 5.657 ( 7.354 4.246 -1.794) 8.680 6.459 ( 17.492 10.099 2.460) 20.347 8.603 ( 18.643 10.764 -13.588) 25.457 9.053 ( 5.929 3.423 -3.634) 7.751 9.921 ( 14.695 8.484 2.829) 17.202 12.633 ( -7.890 -4.555 -13.831) 16.561 13.888 ( -6.625 -3.825 15.235) 17.047 14.049 ( -0.632 -0.365 -0.973) 1.216 14.380 ( -5.061 -2.922 -4.073) 7.124 14.586 ( 3.843 2.219 5.208) 6.842 16.001 ( -7.475 -4.316 3.770) 9.419 ======================= Grid point 1539 (498/670) ======================= q-point: ( 0.68 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.561 ( 8.044 4.644 -6.085) 11.104 5.765 ( 2.538 1.465 -1.488) 3.287 6.738 ( 5.500 3.175 1.867) 6.619 8.875 ( 9.041 5.220 -12.369) 16.186 9.141 ( 4.278 2.470 -5.654) 7.508 10.201 ( 5.937 3.428 5.399) 8.726 12.385 ( -8.508 -4.912 -13.507) 16.702 13.670 ( -6.240 -3.603 0.288) 7.211 14.266 ( -3.280 -1.893 -4.217) 5.668 14.275 ( 9.694 5.597 15.036) 18.745 14.677 ( 2.236 1.291 5.128) 5.741 15.914 ( -1.006 -0.581 4.510) 4.657 ======================= Grid point 1540 (499/670) ======================= q-point: (-0.26 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.567 ( -5.665 -3.270 -5.989) 8.869 5.766 ( -1.780 -1.028 -1.418) 2.497 6.711 ( -8.549 -4.935 1.671) 10.011 8.947 ( 1.381 0.797 -10.502) 10.622 9.196 ( 2.249 1.298 -8.418) 8.809 10.172 ( -11.040 -6.374 7.431) 14.756 12.183 ( -4.064 -2.347 -11.587) 12.501 13.647 ( 3.714 2.144 -0.209) 4.294 14.203 ( -0.805 -0.465 -3.650) 3.766 14.553 ( 9.598 5.542 13.544) 17.500 14.727 ( 0.587 0.339 4.454) 4.505 15.998 ( 6.564 3.790 5.257) 9.224 ======================= Grid point 1541 (500/670) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.258 ( -18.954 -10.943 -5.427) 22.548 5.671 ( -6.394 -3.692 -1.765) 7.591 6.370 ( -20.688 -11.944 1.996) 23.972 8.846 ( -6.693 -3.864 -12.495) 14.692 9.172 ( -3.181 -1.837 -7.854) 8.671 9.791 ( -21.626 -12.486 8.790) 26.473 12.116 ( 1.107 0.639 -8.312) 8.410 13.805 ( 9.433 5.446 -1.385) 10.980 14.197 ( 0.982 0.567 -2.146) 2.427 14.740 ( -0.682 -0.394 3.022) 3.123 14.817 ( 9.163 5.290 10.842) 15.150 16.240 ( 12.251 7.073 5.279) 15.099 ======================= Grid point 1550 (501/670) ======================= q-point: ( 0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 13.148 17.254) 21.692 1.585 ( 0.000 31.070 17.055) 35.443 2.539 ( 0.000 8.712 32.305) 33.459 4.547 ( -0.000 4.369 -1.186) 4.527 4.951 ( -0.000 39.436 -8.615) 40.366 12.433 ( 0.000 -38.144 4.301) 38.386 13.464 ( 0.000 -28.001 2.246) 28.091 13.877 ( -0.000 4.014 -2.256) 4.605 14.411 ( 0.000 -21.282 7.091) 22.433 14.867 ( 0.000 -2.934 1.248) 3.189 15.553 ( 0.000 5.325 10.200) 11.506 17.270 ( -0.000 23.999 -13.636) 27.603 ======================= Grid point 1551 (502/670) ======================= q-point: ( 0.32 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 13.174 18.216 15.569) 27.346 2.092 ( 14.593 13.955 23.718) 31.149 2.891 ( 13.329 29.153 15.726) 35.705 4.606 ( 1.683 6.748 -1.523) 7.119 5.558 ( 24.396 36.525 -12.065) 45.550 11.834 ( -22.372 -43.047 19.159) 52.159 13.216 ( -0.695 -19.631 1.720) 19.719 13.857 ( -5.573 2.163 -4.197) 7.304 14.095 ( -15.481 2.100 0.057) 15.623 14.880 ( 3.697 -5.945 0.874) 7.056 15.672 ( 1.584 4.745 11.366) 12.418 17.480 ( 6.659 7.585 -14.026) 17.280 ======================= Grid point 1552 (503/670) ======================= q-point: ( 0.37 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 24.922 22.573 13.102) 36.087 2.460 ( 11.010 4.125 24.338) 27.029 3.723 ( 33.501 41.800 2.807) 53.641 4.725 ( 3.666 8.993 -2.255) 9.969 6.304 ( 28.490 27.682 -12.021) 41.503 11.101 ( -26.021 -31.533 21.490) 46.187 13.065 ( 1.243 -13.300 1.873) 13.488 13.687 ( -7.964 -1.578 -10.946) 13.629 14.007 ( -6.867 13.293 -0.025) 14.962 14.880 ( 3.419 -6.779 0.368) 7.602 15.744 ( -1.929 0.631 11.100) 11.284 17.495 ( -1.789 -2.399 -11.911) 12.281 ======================= Grid point 1553 (504/670) ======================= q-point: ( 0.42 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 17.268 6.611 13.777) 23.059 3.053 ( 31.232 27.538 11.798) 43.278 4.738 ( 28.860 26.085 -1.625) 38.935 4.942 ( 16.380 25.262 -2.211) 30.189 6.976 ( 26.333 20.127 -10.658) 34.815 10.496 ( -21.772 -20.896 15.537) 33.942 13.001 ( 3.075 -9.155 2.421) 9.957 13.521 ( -4.393 -0.765 -13.211) 13.943 14.059 ( -3.109 13.015 1.407) 13.455 14.864 ( 1.593 -5.219 -0.275) 5.464 15.688 ( -6.691 -4.799 8.820) 12.066 17.305 ( -9.415 -6.781 -9.186) 14.799 ======================= Grid point 1554 (505/670) ======================= q-point: ( 0.47 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 23.540 8.878 5.767) 25.811 3.947 ( 33.001 30.581 7.252) 45.573 5.028 ( 6.524 10.261 -2.393) 12.393 5.942 ( 40.970 38.669 -2.871) 56.410 7.538 ( 23.447 14.760 -10.009) 29.459 10.050 ( -15.697 -12.976 9.084) 22.300 12.990 ( 2.854 -5.615 -0.340) 6.308 13.428 ( 0.267 -1.604 -8.673) 8.824 14.161 ( 0.020 10.787 3.049) 11.210 14.823 ( -1.741 -2.778 -0.870) 3.392 15.483 ( -11.746 -9.363 4.504) 15.682 16.997 ( -13.467 -8.112 -5.544) 16.670 ======================= Grid point 1555 (506/670) ======================= q-point: ( 0.53 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( 27.859 9.611 -0.197) 29.471 4.814 ( 27.886 31.222 1.322) 41.883 5.264 ( 9.733 11.296 1.161) 14.956 6.971 ( 37.397 32.338 -4.923) 49.685 8.027 ( 22.960 11.765 -9.531) 27.503 9.762 ( -9.255 -6.774 4.680) 12.388 12.952 ( -0.703 -3.556 -8.210) 8.975 13.452 ( 6.651 -2.836 2.892) 7.787 14.291 ( 2.297 7.897 4.431) 9.342 14.728 ( -6.153 -3.621 -0.492) 7.156 15.147 ( -16.100 -8.663 -1.376) 18.335 16.663 ( -13.940 -7.668 -1.279) 15.961 ======================= Grid point 1556 (507/670) ======================= q-point: ( 0.58 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.391 ( 29.003 8.856 -3.465) 30.522 5.395 ( 8.551 21.304 -5.104) 23.516 5.716 ( 23.533 19.469 6.279) 31.181 7.793 ( 27.886 22.885 -8.615) 37.089 8.515 ( 23.978 10.216 -7.063) 27.003 9.638 ( -1.372 -1.068 2.411) 2.972 12.834 ( -3.760 -3.806 -12.626) 13.713 13.611 ( 11.243 -2.846 11.160) 16.095 14.392 ( -3.480 -4.270 4.102) 6.868 14.505 ( -6.332 -6.614 1.993) 9.370 14.830 ( -15.305 5.809 -6.028) 17.445 16.365 ( -12.486 -6.236 1.952) 14.092 ======================= Grid point 1557 (508/670) ======================= q-point: ( 0.63 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.935 ( 25.875 6.509 -4.859) 27.120 5.660 ( 3.839 15.744 -2.729) 16.434 6.309 ( 18.057 19.306 3.124) 26.618 8.339 ( 19.752 14.019 -12.257) 27.147 8.917 ( 13.644 4.509 -4.093) 14.941 9.754 ( 11.895 5.113 2.114) 13.119 12.659 ( -6.004 -4.343 -13.187) 15.126 13.836 ( 12.555 -6.394 7.463) 15.944 14.013 ( -13.379 -17.021 7.282) 22.842 14.581 ( 3.115 4.911 5.066) 7.713 14.657 ( -14.103 12.716 -5.371) 19.734 16.129 ( -10.013 -3.755 3.367) 11.211 ======================= Grid point 1558 (509/670) ======================= q-point: ( 0.68 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.341 ( 17.418 1.969 -5.355) 18.328 5.824 ( -0.444 13.080 -2.259) 13.281 6.710 ( 7.757 13.106 2.089) 15.372 8.685 ( 13.591 7.238 -13.282) 20.335 9.067 ( 4.869 1.165 -3.741) 6.250 10.070 ( 14.175 3.194 3.749) 15.006 12.442 ( -8.412 -3.813 -12.885) 15.854 13.598 ( -4.176 -20.357 -2.966) 20.991 14.123 ( 10.501 -0.756 16.673) 19.719 14.540 ( -11.979 13.018 -1.869) 17.789 14.703 ( 1.827 6.829 4.321) 8.285 15.983 ( -5.532 -0.267 3.713) 6.668 ======================= Grid point 1559 (510/670) ======================= q-point: (-0.26 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.504 ( 4.729 -4.520 -5.333) 8.440 5.886 ( -5.355 11.008 -2.368) 12.468 6.835 ( -5.033 5.092 1.886) 7.404 8.847 ( 6.052 1.064 -12.090) 13.562 9.129 ( 3.329 0.751 -5.813) 6.741 10.227 ( 1.171 -5.168 5.924) 7.949 12.221 ( -7.473 -1.385 -11.687) 13.941 13.435 ( 7.322 -15.982 -1.221) 17.622 14.296 ( 0.755 4.790 3.988) 6.279 14.526 ( -0.199 5.502 8.532) 10.154 14.815 ( -0.592 10.305 3.917) 11.041 15.977 ( 1.642 3.253 3.945) 5.371 ======================= Grid point 1560 (511/670) ======================= q-point: (-0.21 0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.367 ( -9.122 -11.227 -5.142) 15.352 5.840 ( -10.396 8.632 -2.183) 13.687 6.651 ( -18.455 -2.079 1.981) 18.677 8.828 ( -1.451 -4.043 -12.561) 13.276 9.146 ( 0.987 -0.544 -6.655) 6.749 10.032 ( -15.409 -12.349 7.204) 21.020 12.101 ( -2.050 1.815 -8.658) 9.081 13.504 ( 16.201 -11.667 -1.381) 20.013 14.307 ( -5.666 8.586 -1.348) 10.374 14.668 ( 7.458 -1.175 10.232) 12.716 14.918 ( -2.362 12.894 4.083) 13.729 16.133 ( 9.141 5.707 3.976) 11.487 ======================= Grid point 1570 (512/670) ======================= q-point: ( 0.32 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 22.717 14.877) 27.155 2.189 ( 0.000 9.921 27.375) 29.118 3.169 ( 0.000 40.425 8.798) 41.371 4.656 ( -0.000 7.739 -1.935) 7.977 5.711 ( -0.000 41.561 -10.529) 42.874 11.630 ( 0.000 -46.015 19.587) 50.010 13.030 ( 0.000 -17.386 0.315) 17.389 13.957 ( -0.000 5.660 -2.322) 6.117 14.170 ( -0.000 -6.904 -4.952) 8.496 14.815 ( 0.000 -3.357 1.639) 3.736 15.744 ( 0.000 3.959 11.784) 12.432 17.446 ( -0.000 6.129 -13.280) 14.626 ======================= Grid point 1571 (513/670) ======================= q-point: ( 0.37 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 12.769 26.686 13.683) 32.595 2.429 ( 7.221 3.767 26.195) 27.432 3.779 ( 15.183 50.406 1.302) 52.659 4.759 ( 2.734 10.153 -2.620) 10.836 6.201 ( 14.267 35.012 -9.778) 39.051 11.159 ( -12.373 -38.176 19.583) 44.654 12.890 ( 2.190 -14.532 0.542) 14.706 13.827 ( -12.343 0.857 -8.090) 14.783 14.190 ( 2.276 7.147 -2.757) 7.992 14.768 ( -0.338 -5.677 1.334) 5.841 15.812 ( -0.565 -0.347 11.036) 11.055 17.441 ( 0.339 -0.808 -12.008) 12.040 ======================= Grid point 1572 (514/670) ======================= q-point: ( 0.42 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 10.731 7.762 14.930) 19.958 2.903 ( 24.379 28.906 15.126) 40.727 4.629 ( 22.545 44.639 -2.186) 50.057 4.953 ( 8.394 18.681 -3.355) 20.753 6.767 ( 19.049 25.880 -8.725) 33.298 10.642 ( -15.992 -27.693 15.179) 35.398 12.824 ( 4.941 -11.918 1.905) 13.041 13.603 ( -10.020 1.796 -11.850) 15.622 14.281 ( -3.668 13.332 0.476) 13.836 14.736 ( 4.321 -7.069 0.178) 8.287 15.772 ( -5.029 -6.097 8.728) 11.775 17.328 ( -4.816 -5.737 -9.936) 12.443 ======================= Grid point 1573 (515/670) ======================= q-point: ( 0.47 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( 16.115 9.141 7.384) 19.944 3.754 ( 30.431 33.557 10.998) 46.617 5.051 ( 4.803 16.245 -4.655) 17.568 5.724 ( 31.918 45.399 -3.173) 55.587 7.289 ( 19.403 18.101 -8.102) 27.745 10.193 ( -14.317 -18.237 9.493) 25.053 12.831 ( 6.681 -9.388 2.744) 11.845 13.433 ( -6.215 1.491 -11.955) 13.556 14.335 ( -4.612 11.135 3.554) 12.565 14.771 ( 4.475 -2.439 -1.012) 5.196 15.583 ( -9.618 -11.087 4.808) 15.445 17.097 ( -9.763 -7.809 -6.831) 14.246 ======================= Grid point 1574 (516/670) ======================= q-point: ( 0.53 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 22.053 10.054 0.751) 24.248 4.662 ( 30.097 34.741 7.353) 46.549 5.280 ( 4.860 17.371 -4.133) 18.506 6.708 ( 32.721 39.800 -4.348) 51.707 7.741 ( 19.289 12.420 -8.100) 24.330 9.866 ( -10.096 -10.371 5.208) 15.382 12.858 ( 4.156 -6.816 -0.767) 8.020 13.344 ( 0.599 -1.124 -6.014) 6.147 14.389 ( -1.547 7.437 5.366) 9.300 14.789 ( -2.607 -0.404 0.292) 2.654 15.282 ( -11.564 -10.739 -1.276) 15.833 16.806 ( -12.057 -7.870 -2.888) 14.685 ======================= Grid point 1575 (517/670) ======================= q-point: ( 0.58 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 26.282 9.127 -3.044) 27.987 5.490 ( 14.462 34.831 -3.990) 37.925 5.559 ( 16.308 17.458 5.377) 24.488 7.561 ( 26.216 30.050 -6.603) 40.422 8.171 ( 22.474 8.998 -7.093) 25.226 9.680 ( -4.750 -3.984 2.851) 6.823 12.801 ( -1.835 -5.211 -7.888) 9.630 13.406 ( 9.620 -4.070 3.612) 11.052 14.467 ( -1.081 4.204 6.774) 8.045 14.586 ( -12.652 -11.702 2.731) 17.449 15.059 ( -7.980 4.538 -6.989) 11.538 16.520 ( -11.836 -6.515 0.691) 13.528 ======================= Grid point 1576 (518/670) ======================= q-point: ( 0.63 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.511 ( 27.278 6.716 -4.441) 28.442 5.785 ( 2.637 21.209 -3.431) 21.645 6.236 ( 19.236 27.587 3.834) 33.849 8.130 ( 17.095 17.424 -10.381) 26.525 8.636 ( 22.337 6.251 -4.241) 23.579 9.660 ( 3.678 1.315 2.159) 4.463 12.655 ( -4.361 -5.199 -10.156) 12.214 13.573 ( 11.676 -6.574 3.264) 13.791 14.131 ( -15.930 -17.021 8.758) 24.903 14.607 ( 2.775 6.559 4.703) 8.534 14.971 ( -9.939 11.368 -6.307) 16.365 16.282 ( -10.306 -3.766 2.691) 11.298 ======================= Grid point 1577 (519/670) ======================= q-point: ( 0.68 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.986 ( 23.147 2.606 -4.746) 23.772 5.997 ( -0.860 19.821 -2.619) 20.011 6.747 ( 9.377 22.018 2.454) 24.057 8.476 ( 13.567 8.603 -11.951) 20.023 8.942 ( 10.304 1.277 -3.313) 10.898 9.853 ( 13.669 1.964 2.876) 14.105 12.483 ( -5.608 -4.097 -10.157) 12.304 13.481 ( -7.162 -17.910 -7.167) 20.577 13.998 ( 8.053 -5.474 19.748) 22.018 14.738 ( 1.028 6.716 5.265) 8.595 14.891 ( -10.115 14.152 -5.114) 18.131 16.115 ( -7.885 -0.105 3.134) 8.486 ======================= Grid point 1578 (520/670) ======================= q-point: (-0.26 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.288 ( 13.268 -3.236 -4.800) 14.476 6.124 ( -5.578 18.607 -2.556) 19.592 7.003 ( -2.206 14.445 2.086) 14.761 8.680 ( 9.070 1.667 -11.784) 14.963 9.050 ( 4.482 0.153 -4.061) 6.050 10.086 ( 10.610 -4.805 4.291) 12.413 12.306 ( -7.360 -0.724 -9.961) 12.406 13.184 ( -0.727 -17.953 -3.226) 18.255 14.214 ( 11.300 -2.311 14.261) 18.342 14.725 ( -9.165 5.829 2.885) 11.238 14.961 ( -0.324 15.862 -0.293) 15.868 16.040 ( -3.562 3.083 2.951) 5.559 ======================= Grid point 1579 (521/670) ======================= q-point: (-0.21 0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.322 ( 0.043 -9.558 -4.716) 10.658 6.152 ( -11.003 17.177 -2.607) 20.565 6.971 ( -14.691 7.089 2.163) 16.454 8.728 ( 2.783 -3.995 -11.575) 12.557 9.088 ( 2.280 -0.544 -5.239) 5.740 10.096 ( -2.723 -11.718 5.386) 13.181 12.163 ( -5.777 3.245 -8.238) 10.573 13.110 ( 11.792 -14.660 -1.496) 18.874 14.411 ( 6.009 1.686 6.177) 8.782 14.645 ( -5.049 2.128 6.153) 8.239 15.112 ( -1.451 15.808 0.783) 15.893 16.086 ( 3.338 4.798 2.671) 6.426 ======================= Grid point 1590 (522/670) ======================= q-point: ( 0.37 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 30.245 12.981) 32.913 2.510 ( 0.000 5.791 24.923) 25.587 4.182 ( -0.000 55.338 -1.197) 55.351 4.825 ( -0.000 11.049 -2.984) 11.444 6.407 ( -0.000 34.799 -8.033) 35.714 10.954 ( 0.000 -36.067 17.290) 39.997 12.731 ( 0.000 -13.161 0.418) 13.168 14.033 ( -0.000 -1.021 -10.261) 10.312 14.067 ( -0.000 7.095 -2.311) 7.462 14.758 ( 0.000 -3.809 2.099) 4.349 15.840 ( 0.000 -3.451 9.991) 10.570 17.382 ( -0.000 -2.243 -11.184) 11.407 ======================= Grid point 1591 (523/670) ======================= q-point: ( 0.42 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 3.464 10.631 17.015) 20.360 2.922 ( 14.630 32.481 13.945) 38.255 4.823 ( 8.736 48.930 -3.362) 49.817 4.989 ( 7.532 20.149 -3.424) 21.782 6.779 ( 8.284 28.933 -6.771) 30.848 10.611 ( -7.525 -29.398 13.349) 33.152 12.639 ( 3.208 -11.241 1.516) 11.788 13.798 ( -13.585 3.302 -9.750) 17.045 14.316 ( 11.581 7.630 -3.344) 14.266 14.680 ( -4.162 -4.516 2.471) 6.620 15.797 ( -2.616 -8.423 7.463) 11.554 17.291 ( -1.941 -5.527 -9.782) 11.402 ======================= Grid point 1592 (524/670) ======================= q-point: ( 0.47 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 7.332 13.416 9.106) 17.795 3.663 ( 24.703 35.542 12.398) 45.024 5.132 ( 4.030 17.977 -5.715) 19.290 5.715 ( 22.403 50.202 -3.434) 55.081 7.189 ( 11.981 21.877 -5.813) 25.611 10.242 ( -9.992 -21.211 8.568) 24.963 12.628 ( 6.283 -9.506 3.132) 11.818 13.577 ( -11.734 3.973 -10.589) 16.298 14.523 ( -3.083 8.219 2.061) 9.017 14.625 ( 8.182 -2.181 -0.693) 8.496 15.626 ( -7.226 -13.080 3.774) 15.412 17.124 ( -5.659 -8.038 -7.528) 12.382 ======================= Grid point 1593 (525/670) ======================= q-point: ( 0.53 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 12.275 14.696 2.247) 19.279 4.533 ( 28.732 35.544 10.343) 46.860 5.376 ( 4.730 20.796 -6.887) 22.411 6.601 ( 26.072 44.131 -3.911) 51.406 7.572 ( 12.981 15.643 -5.530) 21.066 9.931 ( -8.571 -13.124 4.754) 16.379 12.677 ( 7.549 -8.394 3.749) 11.895 13.393 ( -8.472 2.416 -9.255) 12.778 14.498 ( -2.601 1.965 4.742) 5.754 14.798 ( 4.409 5.180 -0.161) 6.804 15.335 ( -9.706 -14.005 -1.562) 17.111 16.889 ( -8.600 -8.835 -4.388) 13.087 ======================= Grid point 1594 (526/670) ======================= q-point: ( 0.58 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 17.581 13.582 -2.116) 22.317 5.397 ( 26.900 30.358 8.970) 41.541 5.667 ( 5.433 27.223 -7.722) 28.814 7.429 ( 24.518 35.055 -4.587) 43.024 7.911 ( 14.432 9.940 -5.508) 18.369 9.729 ( -5.217 -6.102 2.595) 8.437 12.712 ( 3.449 -7.546 0.091) 8.297 13.292 ( -0.342 -0.600 -3.279) 3.351 14.533 ( 0.919 4.081 5.013) 6.529 14.714 ( -13.557 -11.941 3.734) 18.447 15.145 ( -1.046 3.061 -7.656) 8.311 16.635 ( -9.472 -7.766 -1.032) 12.292 ======================= Grid point 1595 (527/670) ======================= q-point: ( 0.63 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 21.816 10.507 -3.836) 24.516 5.919 ( 6.663 20.795 -1.572) 21.893 6.227 ( 19.026 35.298 1.840) 40.142 8.030 ( 12.673 21.510 -8.097) 26.246 8.285 ( 22.782 6.881 -2.874) 23.971 9.650 ( -0.776 -1.005 1.814) 2.214 12.629 ( -2.741 -6.917 -5.019) 8.975 13.353 ( 8.432 -3.167 1.898) 9.206 14.278 ( -17.777 -17.591 4.235) 25.365 14.644 ( 3.049 7.039 4.500) 8.894 15.164 ( -3.254 8.928 -6.435) 11.476 16.414 ( -8.625 -4.801 1.433) 9.975 ======================= Grid point 1596 (528/670) ======================= q-point: ( 0.68 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.602 ( 22.606 5.772 -4.039) 23.678 6.200 ( 1.749 22.661 -2.403) 22.855 6.833 ( 11.794 29.100 2.450) 31.495 8.318 ( 9.671 9.044 -9.669) 16.395 8.705 ( 17.730 3.346 -2.348) 18.195 9.700 ( 6.069 0.180 2.205) 6.460 12.479 ( -3.782 -6.194 -5.868) 9.333 13.412 ( -1.135 -6.936 -7.274) 10.115 13.917 ( -3.401 -13.931 15.152) 20.862 14.800 ( 3.055 9.213 4.651) 10.763 15.143 ( -6.848 9.721 -5.543) 13.120 16.257 ( -7.252 -0.750 2.365) 7.665 ======================= Grid point 1597 (529/670) ======================= q-point: ( 0.74 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.973 ( 17.861 -0.359 -4.005) 18.308 6.407 ( -3.370 22.945 -2.201) 23.296 7.210 ( 0.758 22.294 2.207) 22.416 8.496 ( 8.848 1.771 -9.753) 13.287 8.930 ( 8.516 0.149 -3.182) 9.093 9.849 ( 11.105 -5.047 3.176) 12.605 12.350 ( -2.967 -3.168 -5.359) 6.897 13.119 ( -11.581 -11.832 -8.362) 18.549 14.008 ( 13.002 -7.426 16.009) 21.920 14.917 ( -3.734 6.849 5.480) 9.533 15.131 ( -2.876 13.644 -5.167) 14.871 16.164 ( -5.627 2.616 2.292) 6.615 ======================= Grid point 1598 (530/670) ======================= q-point: (-0.21 0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.150 ( 7.860 -6.696 -4.147) 11.127 6.519 ( -9.052 22.457 -2.367) 24.328 7.314 ( -11.166 15.055 2.295) 18.884 8.574 ( 5.371 -4.057 -9.525) 11.663 9.015 ( 3.797 -0.507 -4.185) 5.674 9.948 ( 7.192 -11.595 3.843) 14.175 12.272 ( -4.103 3.068 -5.150) 7.264 12.849 ( -0.702 -12.474 -4.339) 13.226 14.233 ( 13.623 -5.752 10.979) 18.418 14.854 ( -10.072 4.726 3.775) 11.749 15.269 ( 1.207 15.263 -2.445) 15.504 16.135 ( -2.334 4.189 1.992) 5.193 ======================= Grid point 1610 (531/670) ======================= q-point: ( 0.42 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 0.000 15.411 16.551) 22.615 3.175 ( 0.000 35.567 10.941) 37.212 5.050 ( -0.000 14.011 -3.800) 14.517 5.297 ( -0.000 57.404 -3.693) 57.523 6.974 ( -0.000 27.382 -5.432) 27.916 10.436 ( 0.000 -26.603 10.303) 28.529 12.513 ( 0.000 -9.539 2.147) 9.777 13.975 ( -0.000 2.850 -10.063) 10.458 14.203 ( -0.000 8.248 -2.181) 8.531 14.692 ( 0.000 -4.661 2.390) 5.238 15.747 ( 0.000 -11.395 4.967) 12.431 17.211 ( -0.000 -6.965 -8.978) 11.363 ======================= Grid point 1611 (532/670) ======================= q-point: ( 0.47 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 0.236 19.817 10.324) 22.346 3.718 ( 15.282 36.874 10.759) 41.340 5.214 ( 3.532 16.239 -4.740) 17.282 5.940 ( 10.393 54.139 -3.953) 55.269 7.257 ( 4.822 23.659 -4.183) 24.505 10.184 ( -4.614 -21.016 6.645) 22.520 12.467 ( 3.435 -7.978 3.525) 9.374 13.812 ( -13.466 4.888 -8.446) 16.630 14.436 ( 12.730 6.212 -2.339) 14.357 14.625 ( -2.704 -2.857 2.667) 4.753 15.596 ( -4.059 -14.685 1.501) 15.309 17.079 ( -2.447 -9.078 -7.582) 12.078 ======================= Grid point 1612 (533/670) ======================= q-point: ( 0.53 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 2.499 21.432 3.969) 21.939 4.472 ( 23.816 35.994 10.043) 44.313 5.458 ( 6.292 19.902 -6.438) 21.843 6.668 ( 16.532 46.308 -3.641) 49.305 7.565 ( 6.765 20.123 -3.247) 21.476 9.934 ( -5.643 -14.064 3.574) 15.570 12.492 ( 6.112 -7.251 4.870) 10.661 13.589 ( -13.570 3.791 -7.583) 16.001 14.535 ( -0.308 -2.651 3.611) 4.491 14.742 ( 9.343 7.925 -0.922) 12.286 15.330 ( -7.970 -16.093 -2.940) 18.198 16.891 ( -4.895 -10.347 -5.418) 12.663 ======================= Grid point 1613 (534/670) ======================= q-point: ( 0.58 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 6.299 20.393 -0.497) 21.350 5.281 ( 25.414 30.407 8.609) 40.553 5.787 ( 8.703 26.673 -7.561) 29.058 7.377 ( 19.499 34.220 -2.578) 39.470 7.854 ( 6.091 17.382 -3.407) 18.731 9.753 ( -4.064 -7.039 1.769) 8.318 12.552 ( 6.370 -7.392 4.589) 10.783 13.377 ( -10.138 0.984 -4.769) 11.247 14.556 ( 1.770 1.896 4.006) 4.772 14.817 ( -8.888 -9.897 2.358) 13.509 15.111 ( 3.010 0.386 -8.773) 9.283 16.676 ( -6.082 -9.724 -2.694) 11.782 ======================= Grid point 1614 (535/670) ======================= q-point: ( 0.63 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.979 ( 11.032 16.974 -2.569) 20.407 5.927 ( 16.010 20.536 2.592) 26.168 6.289 ( 15.899 35.894 -2.945) 39.368 7.981 ( 20.397 17.205 -0.582) 26.690 8.091 ( 3.831 16.916 -5.182) 18.102 9.666 ( -1.802 -1.691 1.004) 2.667 12.562 ( 1.333 -7.707 0.760) 7.859 13.264 ( -0.741 -1.520 0.871) 1.903 14.414 ( -16.732 -16.239 -1.749) 23.382 14.669 ( 3.852 6.349 4.358) 8.610 15.214 ( 3.368 6.292 -6.039) 9.348 16.484 ( -5.612 -6.785 -0.183) 8.807 ======================= Grid point 1615 (536/670) ======================= q-point: ( 0.68 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.340 ( 14.988 11.606 -2.855) 19.170 6.335 ( 8.279 21.641 -1.352) 23.210 6.920 ( 15.134 32.579 0.971) 35.935 8.249 ( 5.421 6.334 -4.965) 9.704 8.445 ( 15.818 10.198 -1.568) 18.886 9.651 ( 0.573 -0.530 1.059) 1.315 12.456 ( -3.273 -7.524 -2.204) 8.496 13.312 ( 5.403 -2.004 0.984) 5.846 13.965 ( -14.708 -15.605 1.973) 21.534 14.845 ( 4.810 9.924 3.944) 11.712 15.270 ( -1.220 5.518 -5.093) 7.607 16.353 ( -4.536 -2.419 1.198) 5.278 ======================= Grid point 1616 (537/670) ======================= q-point: ( 0.74 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( 15.460 4.871 -2.693) 16.431 6.649 ( 2.421 23.629 -1.526) 23.802 7.415 ( 6.016 27.253 1.874) 27.972 8.357 ( 5.122 1.502 -6.402) 8.335 8.738 ( 12.368 1.479 -1.891) 12.599 9.672 ( 4.079 -5.016 1.872) 6.731 12.325 ( -2.058 -6.225 -1.732) 6.781 13.240 ( -12.420 -2.175 -11.194) 16.861 13.769 ( 7.954 -13.016 14.435) 21.001 15.037 ( 2.070 10.385 5.226) 11.809 15.265 ( -2.568 6.743 -5.652) 9.166 16.280 ( -4.126 1.239 1.455) 4.547 ======================= Grid point 1617 (538/670) ======================= q-point: (-0.21 0.42 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.921 ( 10.886 -1.848 -2.914) 11.420 6.870 ( -4.387 24.534 -1.566) 24.972 7.663 ( -6.522 21.087 2.360) 22.198 8.407 ( 4.896 -4.155 -6.868) 9.403 8.901 ( 7.525 -0.712 -3.241) 8.224 9.701 ( 7.658 -11.581 2.696) 14.144 12.272 ( 2.022 -2.910 -0.110) 3.545 12.902 ( -15.731 -2.506 -9.752) 18.678 13.937 ( 15.699 -10.256 11.540) 22.019 15.079 ( -7.936 5.020 4.746) 10.521 15.352 ( 3.424 12.128 -4.721) 13.457 16.238 ( -3.811 2.998 1.389) 5.044 ======================= Grid point 1630 (539/670) ======================= q-point: ( 0.47 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 0.000 24.805 9.310) 26.495 3.983 ( 0.000 37.266 8.372) 38.195 5.325 ( -0.000 16.392 -3.765) 16.818 6.377 ( -0.000 52.523 -4.367) 52.704 7.444 ( -0.000 23.986 -2.648) 24.131 10.045 ( 0.000 -17.996 4.183) 18.475 12.381 ( 0.000 -6.421 4.554) 7.872 13.985 ( -0.000 4.236 -6.697) 7.924 14.358 ( -0.000 8.801 -2.109) 9.050 14.605 ( 0.000 -5.892 2.497) 6.399 15.479 ( -0.000 -16.049 -1.709) 16.140 16.972 ( -0.000 -10.743 -7.067) 12.859 ======================= Grid point 1631 (540/670) ======================= q-point: ( 0.53 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( -3.083 26.970 5.207) 27.641 4.519 ( 15.059 35.211 7.634) 39.050 5.526 ( 4.988 18.668 -4.166) 19.767 6.913 ( 6.769 44.304 -3.986) 44.995 7.705 ( 2.421 25.075 -1.093) 25.215 9.877 ( -2.367 -12.764 1.977) 13.131 12.368 ( 3.029 -5.707 5.811) 8.690 13.851 ( -14.013 3.535 -4.858) 15.247 14.507 ( 2.622 0.529 2.203) 3.465 14.623 ( 9.723 2.349 -0.935) 10.046 15.262 ( -4.587 -16.362 -5.636) 17.903 16.815 ( -1.934 -12.078 -5.854) 13.560 ======================= Grid point 1632 (541/670) ======================= q-point: ( 0.58 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( -2.653 26.397 1.373) 26.566 5.197 ( 21.434 28.729 6.500) 36.428 5.848 ( 10.118 24.173 -5.012) 26.680 7.431 ( 10.659 30.464 -1.828) 32.326 8.002 ( 1.857 26.546 -0.923) 26.627 9.744 ( -2.250 -6.150 0.613) 6.577 12.405 ( 4.927 -5.993 6.409) 10.063 13.594 ( -15.151 0.023 -2.675) 15.385 14.547 ( 2.498 1.182 3.706) 4.623 14.815 ( 2.306 -4.717 0.784) 5.308 15.007 ( 0.221 -6.019 -11.426) 12.916 16.632 ( -2.850 -11.819 -3.908) 12.770 ======================= Grid point 1633 (542/670) ======================= q-point: ( 0.63 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( -0.118 23.332 -0.698) 23.343 5.823 ( 19.948 19.807 3.147) 28.287 6.335 ( 16.075 30.960 -3.587) 35.069 7.860 ( 11.812 15.973 1.509) 19.924 8.267 ( -0.371 24.431 -2.263) 24.539 9.685 ( -1.427 -0.231 -0.075) 1.448 12.448 ( 4.095 -6.645 4.823) 9.175 13.345 ( -10.142 -3.563 1.568) 10.863 14.514 ( -13.572 -12.713 -7.440) 20.029 14.667 ( 4.831 5.001 4.127) 8.085 15.133 ( 8.779 3.491 -5.848) 11.111 16.469 ( -2.287 -9.115 -1.692) 9.548 ======================= Grid point 1634 (543/670) ======================= q-point: ( 0.68 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( 3.676 18.074 -1.097) 18.477 6.320 ( 15.945 18.008 -0.080) 24.053 6.945 ( 18.473 30.130 -1.171) 35.361 8.157 ( 8.771 5.622 2.778) 10.782 8.460 ( 0.036 17.410 -2.706) 17.619 9.667 ( -1.843 1.181 -0.307) 2.210 12.421 ( -1.079 -6.807 0.853) 6.945 13.228 ( 0.792 -5.705 6.819) 8.926 14.101 ( -16.633 -10.148 -8.309) 21.182 14.858 ( 6.558 9.541 3.162) 12.002 15.257 ( 4.666 1.636 -4.316) 6.563 16.368 ( -1.039 -4.673 -0.132) 4.789 ======================= Grid point 1635 (544/670) ======================= q-point: ( 0.74 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 6.924 11.170 -0.875) 13.171 6.747 ( 11.703 20.087 -0.748) 23.260 7.518 ( 14.407 26.243 0.120) 29.938 8.294 ( 3.148 1.078 0.066) 3.329 8.608 ( 3.886 6.995 -1.203) 8.092 9.622 ( -2.431 -3.233 0.132) 4.047 12.305 ( -3.531 -6.183 -0.663) 7.151 13.280 ( 5.614 -3.888 4.471) 8.162 13.705 ( -13.565 -9.002 -3.704) 16.696 15.092 ( 6.250 11.763 2.985) 13.650 15.300 ( 0.984 0.946 -3.497) 3.755 16.329 ( -0.761 -0.831 0.388) 1.191 ======================= Grid point 1636 (545/670) ======================= q-point: ( 0.79 0.47 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.758 ( 7.452 4.138 -1.055) 8.589 7.109 ( 5.054 22.956 -0.499) 23.511 7.923 ( 3.627 20.376 1.535) 20.754 8.315 ( 0.007 0.082 -3.099) 3.100 8.728 ( 7.837 -1.596 -1.296) 8.103 9.529 ( -0.240 -9.837 1.035) 9.894 12.211 ( -0.349 -4.540 0.395) 4.571 13.178 ( -16.832 4.084 -9.983) 19.991 13.599 ( 12.867 -13.499 10.251) 21.281 15.249 ( -4.004 3.874 5.043) 7.515 15.354 ( 6.214 9.001 -5.150) 12.090 16.314 ( -1.685 1.053 0.503) 2.050 ======================= Grid point 1650 (546/670) ======================= q-point: ( 0.53 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 0.000 28.996 4.871) 29.402 4.745 ( 0.000 32.486 5.218) 32.902 5.654 ( -0.000 19.467 -2.552) 19.634 7.249 ( -0.000 36.095 -3.694) 36.283 7.965 ( -0.000 30.485 0.869) 30.497 9.790 ( 0.000 -8.922 0.448) 8.934 12.315 ( 0.000 -4.943 6.934) 8.515 14.022 ( -0.000 1.880 -1.559) 2.442 14.495 ( 0.000 -7.165 3.027) 7.778 14.515 ( -0.000 8.518 -2.767) 8.956 15.116 ( -0.000 -14.978 -9.336) 17.649 16.681 ( -0.000 -13.452 -5.545) 14.550 ======================= Grid point 1651 (547/670) ======================= q-point: ( 0.58 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( -5.295 28.648 2.839) 29.271 5.181 ( 13.158 25.361 3.950) 28.843 5.914 ( 7.016 23.057 -2.187) 24.200 7.586 ( 3.943 26.091 -1.139) 26.412 8.286 ( -0.309 31.060 1.248) 31.086 9.723 ( -0.655 -2.381 -0.561) 2.533 12.314 ( 2.329 -5.265 7.760) 9.663 13.851 ( -15.529 -2.695 0.472) 15.768 14.511 ( 4.739 -2.273 4.598) 6.983 14.671 ( 8.789 2.390 -2.586) 9.468 14.909 ( -2.721 -9.215 -14.148) 17.102 16.518 ( -0.649 -13.435 -4.386) 14.147 ======================= Grid point 1652 (548/670) ======================= q-point: ( 0.63 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -6.521 26.265 1.269) 27.092 5.681 ( 18.136 16.951 2.337) 24.935 6.341 ( 14.226 26.345 -1.989) 30.006 7.893 ( 5.514 18.157 2.586) 19.151 8.542 ( -2.791 23.912 0.564) 24.081 9.721 ( -0.954 4.765 -1.171) 4.999 12.340 ( 3.592 -5.992 7.407) 10.181 13.526 ( -15.467 -7.482 3.030) 17.447 14.566 ( -7.727 -9.756 -9.060) 15.394 14.638 ( 4.966 5.400 2.158) 7.647 14.952 ( 11.245 1.626 -7.418) 13.569 16.375 ( 0.262 -11.022 -2.666) 11.343 ======================= Grid point 1653 (549/670) ======================= q-point: ( 0.68 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.543 ( -5.412 21.741 0.926) 22.424 6.163 ( 19.636 13.532 0.731) 23.858 6.881 ( 18.862 24.131 -1.661) 30.673 8.144 ( 4.305 11.227 5.253) 13.121 8.674 ( -4.432 15.693 0.178) 16.308 9.744 ( -3.433 6.534 -1.633) 7.560 12.360 ( 2.122 -5.750 4.585) 7.654 13.236 ( -8.311 -11.088 7.234) 15.632 14.258 ( -13.879 -3.655 -13.284) 19.557 14.836 ( 7.673 8.740 2.477) 11.891 15.115 ( 9.581 -1.475 -4.216) 10.570 16.298 ( 1.990 -6.701 -1.237) 7.099 ======================= Grid point 1654 (550/670) ======================= q-point: ( 0.74 0.53 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( -2.900 15.382 1.170) 15.697 6.639 ( 19.488 13.820 0.166) 23.892 7.435 ( 20.297 19.154 -1.549) 27.951 8.289 ( 0.734 4.488 5.426) 7.080 8.724 ( -4.553 10.391 0.504) 11.356 9.691 ( -7.024 1.617 -1.593) 7.381 12.313 ( -2.855 -4.273 0.474) 5.161 13.112 ( 4.212 -13.033 11.244) 17.720 13.925 ( -17.221 1.194 -12.956) 21.583 15.078 ( 8.427 10.076 -0.812) 13.160 15.225 ( 6.283 -1.819 0.199) 6.544 16.292 ( 2.740 -2.836 -0.669) 4.000 ======================= Grid point 1670 (551/670) ======================= q-point: ( 0.58 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.575 ( 0.000 27.269 3.374) 27.477 5.303 ( 0.000 20.006 2.191) 20.126 6.076 ( -0.000 23.646 -0.866) 23.662 7.795 ( -0.000 22.316 1.158) 22.346 8.596 ( 0.000 26.756 2.117) 26.839 9.736 ( -0.000 5.449 -1.363) 5.616 12.272 ( 0.000 -5.738 8.797) 10.503 13.993 ( 0.000 -6.875 4.008) 7.958 14.369 ( 0.000 -7.458 2.910) 8.005 14.651 ( -0.000 7.009 -2.982) 7.617 14.800 ( -0.000 -4.868 -17.412) 18.079 16.368 ( -0.000 -13.672 -3.942) 14.229 ======================= Grid point 1671 (552/670) ======================= q-point: ( 0.63 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( -6.117 24.624 2.972) 25.546 5.580 ( 11.110 13.421 1.621) 17.498 6.382 ( 8.340 23.117 -0.873) 24.591 8.031 ( 1.903 18.721 4.474) 19.342 8.801 ( -2.220 16.421 2.006) 16.691 9.823 ( -1.065 13.761 -1.842) 13.924 12.261 ( 1.933 -6.786 9.135) 11.543 13.729 ( -16.286 -11.034 4.087) 20.092 14.446 ( 9.328 -7.215 2.451) 12.045 14.661 ( -2.379 4.577 -11.116) 12.254 14.779 ( 6.218 3.155 -9.743) 11.982 16.235 ( 1.166 -11.517 -2.786) 11.907 ======================= Grid point 1672 (553/670) ======================= q-point: ( 0.68 0.58 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.896 ( -8.552 20.625 2.823) 22.505 5.951 ( 17.721 9.504 1.298) 20.150 6.792 ( 14.726 18.612 -1.338) 23.770 8.251 ( 1.394 14.098 7.268) 15.922 8.880 ( -3.649 9.363 1.937) 10.233 9.913 ( -4.951 14.033 -2.438) 15.080 12.272 ( 3.368 -6.728 8.067) 11.031 13.343 ( -15.118 -12.872 4.883) 20.447 14.384 ( -7.288 -0.175 -12.192) 14.206 14.786 ( 9.089 7.577 1.473) 11.924 14.894 ( 9.389 -1.846 -6.991) 11.850 16.171 ( 3.400 -7.358 -1.738) 8.290 ======================= Grid point 1673 (554/670) ======================= q-point: (-0.26 -0.42 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.933 ( -8.775 14.913 3.031) 17.567 6.387 ( 21.728 8.370 1.195) 23.315 7.233 ( 19.032 11.844 -1.812) 22.489 8.393 ( -1.707 8.218 8.200) 11.734 8.898 ( -4.025 6.757 2.340) 8.206 9.883 ( -10.185 7.594 -2.810) 13.011 12.294 ( 1.999 -4.018 4.481) 6.342 13.028 ( -7.287 -14.042 7.448) 17.486 14.178 ( -13.265 5.279 -13.614) 19.728 14.983 ( 7.840 -0.078 -6.108) 9.939 15.076 ( 12.098 5.026 4.457) 13.838 16.185 ( 4.860 -3.598 -1.411) 6.209 ======================= Grid point 1690 (555/670) ======================= q-point: ( 0.63 0.63 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.085 ( 0.000 20.312 4.186) 20.738 5.600 ( 0.000 9.526 1.239) 9.606 6.520 ( -0.000 19.427 -0.828) 19.445 8.220 ( 0.000 17.391 7.216) 18.829 8.947 ( 0.000 7.848 2.227) 8.158 10.002 ( -0.000 19.575 -2.177) 19.695 12.205 ( 0.000 -8.297 10.030) 13.017 13.813 ( 0.000 -12.396 4.041) 13.038 14.252 ( 0.000 -6.286 3.237) 7.071 14.677 ( -0.000 5.570 -19.887) 20.652 14.744 ( -0.000 4.764 -3.665) 6.011 16.105 ( -0.000 -9.485 -2.151) 9.726 ======================= Grid point 1691 (556/670) ======================= q-point: (-0.32 -0.37 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.224 ( -6.008 15.462 4.477) 17.182 5.780 ( 10.887 6.085 1.518) 12.564 6.750 ( 7.736 13.239 -1.304) 15.389 8.414 ( 0.036 13.886 9.708) 16.943 8.997 ( -1.523 4.121 2.436) 5.024 10.145 ( -4.187 16.103 -2.940) 16.896 12.177 ( 2.435 -8.604 10.005) 13.419 13.525 ( -16.623 -10.256 2.887) 19.745 14.341 ( 8.582 -3.363 -0.166) 9.219 14.679 ( 3.231 5.537 -15.015) 16.326 14.798 ( 3.074 3.922 -3.825) 6.282 16.044 ( 2.459 -5.303 -1.585) 6.057 ======================= Grid point 1692 (557/670) ======================= q-point: (-0.26 -0.37 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.234 ( -9.036 9.694 4.444) 13.978 6.098 ( 18.858 4.283 1.933) 19.435 7.025 ( 13.759 5.385 -1.841) 14.889 8.551 ( -2.192 8.501 10.679) 13.824 9.010 ( -2.192 3.222 3.129) 4.998 10.131 ( -9.680 7.572 -3.694) 12.833 12.200 ( 4.840 -6.446 8.585) 11.776 13.149 ( -16.420 -8.009 2.900) 18.498 14.355 ( -5.099 5.020 -9.940) 12.248 14.772 ( 8.937 -4.325 -5.785) 11.490 14.962 ( 10.668 8.519 -0.422) 13.658 16.067 ( 4.392 -1.588 -1.700) 4.970 ======================= Grid point 1710 (558/670) ======================= q-point: (-0.32 -0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.421 ( 0.000 8.832 5.726) 10.526 5.731 ( 0.000 2.988 1.364) 3.285 6.778 ( -0.000 6.398 -1.549) 6.583 8.583 ( 0.000 10.946 11.828) 16.115 9.049 ( 0.000 2.369 2.938) 3.774 10.307 ( -0.000 9.762 -3.968) 10.538 12.106 ( 0.000 -8.583 10.567) 13.614 13.642 ( 0.000 -5.570 1.693) 5.821 14.177 ( 0.000 -3.515 3.426) 4.909 14.670 ( -0.000 7.568 -17.823) 19.363 14.784 ( -0.000 2.249 -4.122) 4.696 15.986 ( -0.000 -0.774 -1.511) 1.698 ======================= Grid point 1711 (559/670) ======================= q-point: (-0.26 -0.32 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.442 ( -5.683 1.900 5.457) 8.104 5.861 ( 11.759 0.803 2.018) 11.958 6.857 ( 7.023 -1.772 -1.864) 7.479 8.704 ( -1.635 5.985 12.577) 14.024 9.075 ( -0.996 2.059 3.985) 4.595 10.289 ( -5.329 -0.523 -5.013) 7.335 12.098 ( 3.108 -6.089 9.958) 12.079 13.420 ( -17.745 -1.178 1.413) 17.840 14.307 ( 10.602 -0.711 0.961) 10.669 14.659 ( -1.185 4.102 -13.261) 13.931 14.860 ( 7.812 4.726 -4.097) 10.007 16.011 ( 1.890 3.316 -2.080) 4.347 ======================= Grid point 1730 (560/670) ======================= q-point: (-0.26 -0.26 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.497 ( 0.000 -6.259 6.214) 8.820 5.750 ( 0.000 -2.035 1.458) 2.504 6.731 ( -0.000 -9.890 -1.878) 10.067 8.809 ( 0.000 1.704 13.196) 13.305 9.119 ( 0.000 1.629 5.343) 5.586 10.250 ( -0.000 -11.848 -6.359) 13.447 12.061 ( 0.000 -3.181 9.732) 10.239 13.639 ( 0.000 4.146 1.033) 4.272 14.165 ( 0.000 -0.386 3.129) 3.152 14.712 ( -0.000 9.047 -14.089) 16.744 14.776 ( -0.000 0.152 -3.986) 3.989 16.046 ( -0.000 8.078 -3.068) 8.641 ======================= Grid point 1911 (561/670) ======================= q-point: ( 0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.000 -0.000 17.103) 17.103 1.232 ( 0.000 -0.000 17.103) 17.103 2.636 ( 0.000 -0.000 36.738) 36.738 4.492 ( -0.000 0.000 -1.028) 1.028 4.492 ( -0.000 0.000 -1.028) 1.028 12.733 ( -0.000 0.000 -10.653) 10.653 13.806 ( -0.000 0.000 -2.288) 2.288 13.806 ( -0.000 0.000 -2.288) 2.288 14.923 ( 0.000 -0.000 1.172) 1.172 14.923 ( 0.000 -0.000 1.172) 1.172 15.524 ( 0.000 -0.000 8.751) 8.751 16.810 ( -0.000 0.000 -2.641) 2.641 ======================= Grid point 1912 (562/670) ======================= q-point: ( 0.32 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 12.329 7.118 15.351) 20.937 1.731 ( 31.390 18.123 14.158) 38.913 2.767 ( 1.472 0.850 30.643) 30.690 4.512 ( 2.665 1.539 -1.044) 3.250 4.924 ( 32.962 19.030 -6.981) 38.696 12.460 ( -22.417 -12.942 -1.229) 25.914 13.623 ( -14.915 -8.611 0.172) 17.223 13.778 ( 0.098 0.056 -1.836) 1.839 14.277 ( -33.569 -19.381 8.919) 39.775 14.958 ( 0.804 0.464 0.822) 1.240 15.624 ( 4.575 2.642 10.104) 11.402 17.197 ( 20.622 11.906 -12.273) 26.789 ======================= Grid point 1913 (563/670) ======================= q-point: ( 0.37 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 23.983 13.846 12.902) 30.551 2.437 ( 16.467 9.507 22.556) 29.502 3.129 ( 29.611 17.096 10.017) 35.629 4.600 ( 5.083 2.934 -1.400) 6.034 5.742 ( 38.139 22.019 -11.247) 45.452 11.747 ( -37.851 -21.853 16.021) 46.550 13.305 ( -10.651 -6.149 2.514) 12.553 13.770 ( -13.854 -7.999 -4.331) 16.573 13.799 ( 2.228 1.286 -0.974) 2.751 14.965 ( -0.471 -0.272 0.308) 0.625 15.756 ( 2.323 1.341 11.331) 11.644 17.440 ( 5.013 2.895 -13.245) 14.455 ======================= Grid point 1914 (564/670) ======================= q-point: ( 0.42 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 32.471 18.747 9.947) 38.791 2.756 ( 9.534 5.505 19.334) 22.249 4.105 ( 48.113 27.778 0.566) 55.559 4.727 ( 6.403 3.697 -1.842) 7.620 6.530 ( 33.381 19.272 -11.194) 40.137 10.977 ( -33.202 -19.169 17.238) 42.035 13.140 ( -5.011 -2.893 0.604) 5.818 13.527 ( -5.598 -3.232 -8.867) 10.974 13.874 ( 4.398 2.539 0.237) 5.084 14.938 ( -1.875 -1.083 -0.325) 2.190 15.787 ( -3.552 -2.051 10.316) 11.101 17.372 ( -5.982 -3.454 -10.667) 12.708 ======================= Grid point 1915 (565/670) ======================= q-point: ( 0.47 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 16.809 9.705 9.855) 21.768 3.445 ( 36.345 20.984 6.045) 42.400 4.883 ( 7.893 4.557 -1.305) 9.207 5.244 ( 49.902 28.811 -1.585) 57.644 7.187 ( 27.378 15.807 -10.615) 33.348 10.368 ( -24.324 -14.044 11.706) 30.429 13.048 ( -2.765 -1.597 -5.221) 6.120 13.438 ( -0.156 -0.090 -3.083) 3.088 14.001 ( 6.178 3.567 1.603) 7.311 14.875 ( -3.334 -1.925 -1.059) 3.993 15.660 ( -10.456 -6.037 6.974) 13.943 17.125 ( -11.763 -6.791 -6.902) 15.236 ======================= Grid point 1916 (566/670) ======================= q-point: ( 0.53 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 22.709 13.111 2.335) 26.325 4.292 ( 35.038 20.229 0.799) 40.466 5.096 ( 11.064 6.388 1.483) 12.861 6.355 ( 46.455 26.821 -3.095) 53.731 7.729 ( 23.750 13.712 -10.512) 29.370 9.944 ( -15.508 -8.954 6.578) 19.077 12.956 ( -2.584 -1.492 -11.848) 12.218 13.492 ( 4.054 2.341 6.471) 7.986 14.164 ( 7.059 4.076 2.833) 8.630 14.777 ( -4.719 -2.725 -1.829) 5.748 15.357 ( -17.188 -9.923 2.302) 19.980 16.812 ( -13.325 -7.693 -2.253) 15.551 ======================= Grid point 1917 (567/670) ======================= q-point: ( 0.58 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 25.342 14.631 -2.225) 29.347 4.997 ( 24.937 14.397 -4.964) 29.219 5.446 ( 19.256 11.118 5.975) 23.024 7.315 ( 37.191 21.472 -5.637) 43.313 8.236 ( 24.160 13.949 -9.226) 29.384 9.702 ( -7.055 -4.073 3.361) 8.812 12.836 ( -3.594 -2.075 -14.451) 15.035 13.661 ( 7.076 4.086 13.089) 15.430 14.338 ( 6.751 3.898 3.632) 8.600 14.647 ( -5.690 -3.285 -2.437) 7.008 14.904 ( -21.702 -12.530 -1.269) 25.091 16.509 ( -12.658 -7.308 1.552) 14.698 ======================= Grid point 1918 (568/670) ======================= q-point: ( 0.63 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.720 ( 24.210 13.977 -4.483) 28.312 5.403 ( 13.514 7.803 -3.431) 15.978 5.991 ( 23.741 13.707 3.936) 27.695 8.002 ( 25.486 14.714 -9.837) 31.029 8.743 ( 19.754 11.405 -5.642) 23.497 9.673 ( 4.942 2.853 1.890) 6.011 12.679 ( -5.356 -3.092 -14.362) 15.637 13.904 ( 8.931 5.156 15.893) 18.945 14.385 ( -21.845 -12.612 -1.537) 25.271 14.460 ( -1.388 -0.802 -1.166) 1.982 14.536 ( 0.972 0.561 2.328) 2.584 16.245 ( -10.946 -6.320 3.269) 13.055 ======================= Grid point 1919 (569/670) ======================= q-point: ( 0.68 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.201 ( 18.411 10.629 -5.617) 21.988 5.636 ( 7.714 4.454 -1.794) 9.087 6.485 ( 17.073 9.857 2.106) 19.827 8.453 ( 17.816 10.286 -12.571) 24.109 9.013 ( 6.128 3.538 -3.416) 7.858 9.950 ( 15.708 9.069 2.398) 18.295 12.476 ( -7.672 -4.429 -13.495) 16.143 13.920 ( -15.274 -8.819 -4.411) 18.180 14.192 ( 8.530 4.925 20.783) 22.999 14.335 ( -5.247 -3.029 -3.947) 7.231 14.644 ( 3.948 2.279 4.948) 6.728 16.042 ( -7.278 -4.202 3.435) 9.078 ======================= Grid point 1920 (570/670) ======================= q-point: (-0.26 0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.490 ( 7.916 4.571 -6.244) 11.070 5.747 ( 2.579 1.489 -1.512) 3.340 6.759 ( 5.438 3.140 1.806) 6.534 8.727 ( 9.936 5.737 -13.168) 17.466 9.088 ( 2.717 1.569 -3.932) 5.030 10.258 ( 7.311 4.221 4.645) 9.636 12.237 ( -8.045 -4.645 -12.348) 15.452 13.661 ( -5.688 -3.284 -1.506) 6.738 14.219 ( -3.199 -1.847 -3.913) 5.381 14.465 ( 8.415 4.858 17.801) 20.280 14.733 ( 2.095 1.209 4.763) 5.342 15.959 ( -0.627 -0.362 3.197) 3.278 ======================= Grid point 1931 (571/670) ======================= q-point: ( 0.32 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 12.628 14.818) 19.468 1.763 ( 0.000 33.589 14.167) 36.454 2.887 ( 0.000 1.113 28.314) 28.336 4.532 ( -0.000 4.140 -1.373) 4.362 4.872 ( -0.000 35.017 -5.568) 35.457 12.440 ( -0.000 -24.113 -2.060) 24.201 13.487 ( 0.000 -25.632 1.803) 25.695 13.850 ( -0.000 4.008 -2.489) 4.718 14.481 ( 0.000 -26.430 5.184) 26.933 14.883 ( 0.000 -2.811 1.527) 3.198 15.669 ( 0.000 6.637 10.044) 12.039 17.130 ( -0.000 20.548 -11.149) 23.377 ======================= Grid point 1932 (572/670) ======================= q-point: ( 0.37 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 12.478 18.070 13.228) 25.636 2.336 ( 17.515 22.546 18.926) 34.253 3.065 ( 7.074 15.978 14.678) 22.821 4.588 ( 1.685 6.267 -1.551) 6.672 5.441 ( 22.899 35.362 -8.624) 43.002 11.996 ( -17.903 -34.307 9.915) 39.947 13.242 ( -0.599 -21.034 2.698) 21.215 13.810 ( -7.577 -0.070 -3.957) 8.549 14.101 ( -15.917 -1.621 0.787) 16.018 14.890 ( 3.165 -5.813 0.767) 6.663 15.800 ( 1.735 5.276 10.992) 12.315 17.326 ( 6.645 7.873 -12.904) 16.512 ======================= Grid point 1933 (573/670) ======================= q-point: ( 0.42 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 23.574 22.420 10.801) 34.279 2.726 ( 8.030 2.572 22.223) 23.769 3.742 ( 31.968 39.221 0.459) 50.601 4.701 ( 3.587 8.257 -2.037) 9.230 6.181 ( 27.964 28.327 -9.552) 40.935 11.312 ( -25.957 -31.389 15.624) 43.625 13.088 ( 1.386 -13.574 1.958) 13.784 13.572 ( -9.783 -3.833 -9.073) 13.882 14.011 ( -6.329 13.474 0.705) 14.903 14.881 ( 3.044 -6.784 -0.143) 7.437 15.868 ( -2.371 0.029 10.526) 10.790 17.361 ( -0.811 -1.426 -11.515) 11.631 ======================= Grid point 1934 (574/670) ======================= q-point: ( 0.47 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 15.046 4.384 11.038) 19.168 3.176 ( 27.391 27.164 9.526) 39.735 4.720 ( 27.652 23.949 -1.434) 36.609 4.916 ( 17.586 25.447 -2.300) 31.018 6.862 ( 25.945 20.980 -9.265) 34.629 10.655 ( -23.786 -22.984 12.383) 35.318 13.011 ( 1.111 -7.780 -1.128) 7.939 13.399 ( -2.271 -2.750 -7.460) 8.269 14.080 ( -2.721 13.933 2.269) 14.376 14.857 ( 1.314 -5.357 -1.076) 5.620 15.784 ( -7.960 -6.242 7.902) 12.836 17.205 ( -7.873 -5.737 -8.222) 12.748 ======================= Grid point 1935 (575/670) ======================= q-point: ( 0.53 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 20.723 6.379 3.892) 22.029 4.010 ( 29.936 31.351 3.721) 43.507 5.012 ( 8.064 9.351 -0.377) 12.353 5.910 ( 40.590 37.778 -2.683) 55.515 7.426 ( 22.883 15.470 -9.340) 29.158 10.145 ( -17.565 -14.792 7.544) 24.171 12.936 ( -1.817 -2.995 -8.519) 9.211 13.390 ( 6.284 -4.188 1.606) 7.721 14.201 ( 0.107 12.097 3.941) 12.723 14.807 ( -1.854 -2.675 -1.832) 3.735 15.529 ( -13.675 -11.420 3.598) 18.176 16.944 ( -11.487 -7.102 -3.714) 14.006 ======================= Grid point 1936 (576/670) ======================= q-point: ( 0.58 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 26.214 8.126 -1.349) 27.477 4.804 ( 23.447 31.131 -2.749) 39.070 5.295 ( 13.406 11.362 4.092) 18.044 6.920 ( 36.306 31.176 -3.934) 48.016 7.919 ( 23.030 12.743 -9.207) 27.884 9.812 ( -10.454 -7.848 4.129) 13.709 12.825 ( -3.577 -1.776 -12.727) 13.339 13.525 ( 11.540 -4.686 8.460) 15.057 14.347 ( 2.080 9.283 5.288) 10.884 14.717 ( -5.966 -1.551 -1.362) 6.313 15.132 ( -17.971 -12.060 -1.031) 21.667 16.659 ( -12.216 -7.020 0.519) 14.099 ======================= Grid point 1937 (577/670) ======================= q-point: ( 0.63 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( 28.232 8.252 -3.812) 29.659 5.337 ( 9.999 21.894 -4.995) 24.582 5.783 ( 21.770 18.811 5.413) 29.276 7.702 ( 25.716 21.218 -7.205) 34.109 8.435 ( 25.364 11.766 -6.750) 28.763 9.665 ( -1.941 -1.431 2.341) 3.361 12.683 ( -4.686 -2.451 -13.307) 14.319 13.734 ( 13.751 -5.926 9.548) 17.759 14.457 ( -7.078 -4.561 7.646) 11.374 14.532 ( -3.405 -2.580 2.556) 4.978 14.760 ( -15.201 4.148 -5.946) 16.841 16.393 ( -11.626 -6.041 2.867) 13.412 ======================= Grid point 1938 (578/670) ======================= q-point: ( 0.68 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.880 ( 25.387 6.475 -4.731) 26.623 5.629 ( 4.593 15.867 -2.570) 16.717 6.342 ( 17.202 18.977 2.568) 25.742 8.208 ( 18.316 13.137 -10.582) 24.901 8.871 ( 14.441 5.185 -3.858) 15.822 9.777 ( 12.085 5.487 2.026) 13.426 12.511 ( -6.403 -3.204 -12.589) 14.483 13.832 ( 2.205 -17.823 -4.129) 18.427 14.193 ( -2.863 -6.697 19.630) 20.937 14.597 ( -11.171 11.921 -4.615) 16.977 14.640 ( 1.603 5.894 5.008) 7.898 16.167 ( -9.829 -3.809 3.276) 11.039 ======================= Grid point 1939 (579/670) ======================= q-point: ( 0.74 0.32 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.280 ( 17.000 2.294 -5.234) 17.934 5.800 ( -0.274 12.698 -1.973) 12.853 6.732 ( 7.593 13.161 1.795) 15.300 8.539 ( 13.091 7.328 -12.126) 19.290 9.028 ( 4.477 0.877 -3.118) 5.526 10.109 ( 15.241 3.882 3.287) 16.068 12.301 ( -8.633 -2.953 -11.716) 14.850 13.561 ( -2.123 -20.007 -3.383) 20.401 14.289 ( 2.787 -0.061 10.396) 10.763 14.552 ( -6.057 12.206 5.598) 14.732 14.752 ( 2.187 5.451 4.221) 7.233 16.020 ( -5.455 -0.306 2.703) 6.095 ======================= Grid point 1951 (580/670) ======================= q-point: ( 0.37 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 22.472 12.665) 25.795 2.480 ( 0.000 16.285 23.520) 28.607 3.257 ( 0.000 29.400 6.439) 30.096 4.633 ( -0.000 7.259 -2.079) 7.551 5.610 ( -0.000 40.933 -7.428) 41.602 11.808 ( 0.000 -39.717 12.088) 41.516 13.044 ( 0.000 -18.856 2.238) 18.988 13.927 ( -0.000 5.739 -2.789) 6.380 14.112 ( -0.000 -11.794 -5.307) 12.933 14.837 ( 0.000 -3.223 2.160) 3.880 15.874 ( 0.000 4.133 10.896) 11.654 17.301 ( -0.000 6.578 -12.140) 13.808 ======================= Grid point 1952 (581/670) ======================= q-point: ( 0.42 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 12.184 26.418 11.470) 31.272 2.715 ( 5.263 2.133 23.794) 24.462 3.778 ( 14.626 47.722 -1.361) 49.931 4.729 ( 2.589 9.437 -2.660) 10.141 6.105 ( 13.784 35.568 -7.196) 38.818 11.351 ( -12.352 -37.669 14.165) 42.097 12.905 ( 2.586 -15.008 2.159) 15.382 13.733 ( -14.559 -0.950 -8.342) 16.807 14.158 ( 4.889 6.300 -2.758) 8.438 14.786 ( -1.288 -5.163 1.758) 5.604 15.932 ( -0.878 -1.233 9.885) 10.000 17.308 ( 0.646 0.148 -11.121) 11.141 ======================= Grid point 1953 (582/670) ======================= q-point: ( 0.47 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 9.293 8.072 11.640) 16.941 3.067 ( 20.923 25.714 13.390) 35.753 4.601 ( 22.218 42.790 -2.590) 48.284 4.914 ( 8.664 18.419 -3.371) 20.633 6.679 ( 18.474 26.882 -6.708) 33.301 10.795 ( -17.191 -29.812 11.529) 36.293 12.850 ( 5.166 -11.627 2.629) 12.992 13.475 ( -10.790 1.379 -10.464) 15.094 14.288 ( -1.265 13.268 0.603) 13.342 14.738 ( 2.919 -6.851 0.047) 7.447 15.865 ( -5.775 -7.907 7.403) 12.275 17.220 ( -3.824 -4.654 -8.767) 10.637 ======================= Grid point 1954 (583/670) ======================= q-point: ( 0.53 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 13.088 6.659 5.506) 15.683 3.863 ( 28.056 34.376 7.862) 45.063 5.005 ( 5.635 14.443 -3.204) 15.831 5.688 ( 31.805 44.822 -3.008) 55.042 7.205 ( 18.492 19.094 -6.559) 27.378 10.289 ( -15.644 -20.357 7.208) 26.666 12.852 ( 4.501 -7.726 0.638) 8.964 13.320 ( -3.799 0.518 -7.477) 8.402 14.380 ( -3.551 12.121 4.273) 13.334 14.753 ( 4.287 -2.608 -2.099) 5.440 15.631 ( -10.966 -13.528 3.651) 17.793 17.028 ( -8.114 -6.860 -5.081) 11.778 ======================= Grid point 1955 (584/670) ======================= q-point: ( 0.58 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 20.008 8.450 -0.198) 21.720 4.722 ( 26.531 36.786 2.854) 45.445 5.250 ( 7.547 14.829 -0.872) 16.662 6.663 ( 32.250 39.070 -3.379) 50.774 7.655 ( 18.371 13.475 -6.849) 23.790 9.919 ( -10.941 -11.715 3.988) 16.518 12.816 ( -1.450 -3.494 -6.266) 7.320 13.319 ( 6.827 -3.596 1.238) 7.815 14.453 ( -1.192 7.579 5.825) 9.633 14.785 ( -1.248 2.375 -0.953) 2.847 15.267 ( -13.874 -14.828 -1.175) 20.340 16.783 ( -10.218 -7.316 -1.095) 12.614 ======================= Grid point 1956 (585/670) ======================= q-point: ( 0.63 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( 25.354 8.440 -3.015) 26.891 5.422 ( 9.355 31.113 -6.524) 33.138 5.638 ( 21.003 20.929 7.198) 30.512 7.493 ( 24.487 28.666 -5.126) 38.047 8.095 ( 22.808 10.715 -5.961) 25.895 9.710 ( -5.118 -4.584 2.316) 7.251 12.696 ( -4.745 -2.592 -9.824) 11.214 13.460 ( 12.415 -6.437 5.221) 14.927 14.541 ( 1.341 5.569 5.361) 7.846 14.633 ( -14.331 -12.581 6.259) 20.071 14.977 ( -7.902 3.856 -7.268) 11.408 16.534 ( -10.525 -6.406 1.745) 12.444 ======================= Grid point 1957 (586/670) ======================= q-point: ( 0.68 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 26.891 6.597 -3.788) 27.946 5.746 ( 3.356 22.088 -3.320) 22.587 6.278 ( 18.279 26.622 3.475) 32.480 8.022 ( 15.520 16.327 -8.422) 24.050 8.591 ( 22.653 7.572 -3.515) 24.142 9.684 ( 3.798 1.373 1.962) 4.490 12.540 ( -5.595 -2.987 -9.920) 11.774 13.584 ( 7.510 -11.320 -1.010) 13.622 14.264 ( -10.168 -14.911 13.754) 22.692 14.654 ( 2.720 6.661 3.214) 7.880 14.909 ( -9.006 11.708 -4.068) 15.321 16.314 ( -9.799 -3.946 2.770) 10.920 ======================= Grid point 1958 (587/670) ======================= q-point: ( 0.74 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.935 ( 22.770 2.732 -4.045) 23.287 5.970 ( -0.726 19.866 -2.050) 19.984 6.773 ( 9.037 21.976 2.008) 23.847 8.350 ( 12.625 8.629 -10.049) 18.298 8.907 ( 10.172 1.395 -2.778) 10.636 9.884 ( 14.188 2.399 2.659) 14.633 12.372 ( -6.700 -2.118 -9.315) 11.668 13.405 ( -5.191 -18.752 -6.026) 20.369 14.212 ( 6.609 -6.643 17.424) 19.784 14.792 ( 2.825 8.464 3.030) 9.423 14.847 ( -10.330 12.054 -1.078) 15.911 16.147 ( -7.843 -0.328 2.441) 8.221 ======================= Grid point 1971 (588/670) ======================= q-point: ( 0.42 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 0.000 30.025 11.171) 32.036 2.780 ( 0.000 2.468 22.099) 22.236 4.157 ( -0.000 54.198 -3.061) 54.284 4.790 ( -0.000 10.480 -3.108) 10.931 6.329 ( -0.000 35.363 -5.652) 35.812 11.126 ( 0.000 -37.250 12.812) 39.391 12.746 ( 0.000 -13.220 2.410) 13.437 13.915 ( -0.000 -2.093 -10.423) 10.631 14.036 ( -0.000 7.335 -3.007) 7.927 14.786 ( 0.000 -3.797 2.765) 4.697 15.945 ( 0.000 -5.066 8.353) 9.769 17.260 ( -0.000 -1.327 -9.997) 10.084 ======================= Grid point 1972 (589/670) ======================= q-point: ( 0.47 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 0.943 10.337 13.392) 16.944 3.078 ( 14.655 28.995 13.032) 35.004 4.782 ( 8.162 46.887 -3.682) 47.734 4.948 ( 7.755 20.979 -3.578) 22.651 6.715 ( 8.091 29.649 -4.527) 31.065 10.744 ( -8.141 -31.794 9.746) 34.236 12.667 ( 3.526 -10.940 3.401) 11.986 13.686 ( -14.158 3.387 -9.825) 17.563 14.276 ( 12.518 7.662 -3.667) 15.128 14.712 ( -4.306 -4.133 3.019) 6.688 15.873 ( -2.978 -10.704 5.745) 12.508 17.186 ( -1.512 -4.611 -8.365) 9.670 ======================= Grid point 1973 (590/670) ======================= q-point: ( 0.53 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 4.416 10.932 7.312) 13.874 3.793 ( 23.887 35.324 10.208) 43.847 5.069 ( 3.776 16.867 -5.201) 18.050 5.678 ( 22.366 49.868 -2.914) 54.732 7.134 ( 11.433 22.679 -3.724) 25.669 10.325 ( -10.808 -23.425 5.901) 26.465 12.671 ( 6.339 -8.941 4.383) 11.804 13.462 ( -12.017 4.679 -9.509) 16.023 14.538 ( 4.730 11.336 0.129) 12.284 14.624 ( 1.520 -4.712 0.825) 5.019 15.661 ( -7.955 -15.814 2.438) 17.869 17.047 ( -4.574 -7.263 -5.863) 10.394 ======================= Grid point 1974 (591/670) ======================= q-point: ( 0.58 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 9.937 13.016 1.606) 16.454 4.638 ( 27.361 36.469 7.736) 46.244 5.304 ( 5.226 18.940 -5.510) 20.406 6.563 ( 25.807 43.996 -2.718) 51.079 7.520 ( 11.993 16.468 -3.631) 20.693 9.976 ( -9.068 -14.536 3.054) 17.403 12.717 ( 5.536 -7.246 3.029) 9.608 13.303 ( -6.533 2.909 -6.462) 9.638 14.552 ( -2.112 1.205 4.460) 5.080 14.790 ( 6.059 7.922 -1.111) 10.035 15.316 ( -11.567 -18.088 -1.571) 21.528 16.848 ( -7.037 -8.373 -2.761) 11.281 ======================= Grid point 1975 (592/670) ======================= q-point: ( 0.63 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 16.267 12.858 -1.638) 20.800 5.489 ( 26.191 34.557 6.017) 43.776 5.586 ( 5.826 22.385 -5.328) 23.737 7.385 ( 23.310 34.976 -3.096) 42.146 7.858 ( 13.903 10.936 -3.663) 18.064 9.753 ( -5.340 -6.815 1.639) 8.812 12.697 ( -1.308 -5.218 -2.622) 5.984 13.275 ( 3.855 -1.208 0.172) 4.044 14.581 ( 0.985 3.175 3.096) 4.543 14.771 ( -13.331 -13.692 6.184) 20.085 15.056 ( -0.273 3.799 -7.764) 8.647 16.630 ( -7.976 -7.663 0.024) 11.061 ======================= Grid point 1976 (593/670) ======================= q-point: ( 0.68 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 21.268 10.428 -2.590) 23.828 5.893 ( 5.300 22.477 -2.811) 23.263 6.256 ( 20.409 33.303 3.143) 39.186 7.948 ( 10.703 20.397 -6.207) 23.856 8.260 ( 22.776 8.932 -1.490) 24.511 9.668 ( -0.529 -1.245 1.324) 1.893 12.568 ( -5.111 -4.465 -5.532) 8.756 13.366 ( 7.406 -4.678 0.294) 8.764 14.342 ( -13.684 -19.046 6.790) 24.415 14.687 ( 2.842 6.921 2.795) 7.987 15.103 ( -2.759 9.381 -3.756) 10.475 16.432 ( -7.718 -4.997 1.594) 9.332 ======================= Grid point 1977 (594/670) ======================= q-point: ( 0.74 0.42 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( 22.192 5.937 -2.668) 23.127 6.177 ( 1.731 23.066 -1.650) 23.190 6.859 ( 11.759 28.702 2.177) 31.094 8.218 ( 8.570 9.469 -7.716) 14.921 8.683 ( 16.900 3.674 -1.433) 17.354 9.724 ( 6.691 0.233 1.959) 6.976 12.416 ( -4.989 -3.646 -5.278) 8.126 13.323 ( -4.594 -10.001 -7.960) 13.583 14.094 ( 1.751 -13.747 15.322) 20.659 14.840 ( 3.647 10.099 1.885) 10.902 15.099 ( -6.806 8.757 -1.588) 11.203 16.281 ( -6.940 -1.081 1.806) 7.252 ======================= Grid point 1991 (595/670) ======================= q-point: ( 0.47 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 0.000 11.897 13.892) 18.290 3.294 ( 0.000 34.912 9.818) 36.266 5.005 ( -0.000 13.769 -4.097) 14.366 5.256 ( -0.000 57.053 -3.441) 57.157 6.926 ( -0.000 27.981 -2.952) 28.137 10.535 ( 0.000 -29.146 6.999) 29.974 12.550 ( 0.000 -9.064 4.380) 10.066 13.860 ( -0.000 4.015 -10.078) 10.848 14.172 ( -0.000 8.597 -3.143) 9.154 14.724 ( 0.000 -4.802 3.168) 5.752 15.794 ( 0.000 -14.116 3.245) 14.484 17.116 ( -0.000 -6.281 -7.460) 9.752 ======================= Grid point 1992 (596/670) ======================= q-point: ( 0.53 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -2.047 17.219 8.567) 19.341 3.835 ( 15.896 35.839 9.684) 40.384 5.158 ( 2.683 16.190 -5.040) 17.168 5.900 ( 10.646 53.761 -2.967) 54.885 7.224 ( 4.661 24.346 -1.537) 24.836 10.245 ( -4.930 -23.110 3.921) 23.953 12.519 ( 3.576 -7.444 5.676) 10.021 13.715 ( -13.665 6.273 -8.529) 17.287 14.401 ( 13.011 7.438 -3.649) 15.425 14.662 ( -2.428 -3.479 3.625) 5.580 15.606 ( -4.332 -17.737 0.310) 18.261 17.000 ( -1.909 -8.558 -6.081) 10.671 ======================= Grid point 1993 (597/670) ======================= q-point: ( 0.58 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 0.307 19.721 3.535) 20.037 4.581 ( 23.838 35.236 8.889) 43.461 5.384 ( 5.345 19.766 -6.477) 21.476 6.636 ( 16.792 46.301 -2.048) 49.295 7.542 ( 6.091 20.769 -0.735) 21.656 9.964 ( -5.831 -15.375 1.656) 16.527 12.556 ( 5.807 -6.804 6.422) 11.012 13.505 ( -13.574 5.636 -7.211) 16.371 14.567 ( 1.255 -1.768 1.513) 2.644 14.735 ( 9.310 8.216 -0.114) 12.417 15.295 ( -8.893 -19.966 -2.853) 22.042 16.837 ( -3.797 -9.988 -4.074) 11.435 ======================= Grid point 1994 (598/670) ======================= q-point: ( 0.63 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( 4.748 19.640 0.287) 20.207 5.377 ( 25.225 28.851 8.281) 39.208 5.700 ( 8.303 27.485 -7.773) 29.745 7.357 ( 19.382 35.341 -0.762) 40.314 7.828 ( 4.988 17.422 -1.102) 18.155 9.766 ( -4.003 -7.740 0.587) 8.734 12.605 ( 4.248 -6.964 4.697) 9.413 13.328 ( -8.597 3.275 -3.838) 9.969 14.591 ( 1.654 1.605 2.085) 3.108 14.851 ( -10.688 -15.892 3.064) 19.395 15.012 ( 5.946 3.585 -7.668) 10.344 16.651 ( -4.731 -9.553 -1.795) 10.811 ======================= Grid point 1995 (599/670) ======================= q-point: ( 0.68 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 10.220 16.959 -0.899) 19.821 5.948 ( 12.605 19.022 0.920) 22.838 6.266 ( 19.398 36.798 -1.043) 41.611 7.979 ( 18.423 22.916 0.174) 29.403 8.048 ( 3.749 12.793 -2.167) 13.506 9.673 ( -1.513 -2.116 0.321) 2.621 12.567 ( -1.924 -6.787 0.211) 7.058 13.272 ( 0.446 0.575 0.426) 0.843 14.400 ( -13.964 -19.661 -0.637) 24.124 14.707 ( 3.591 6.123 1.956) 7.363 15.162 ( 3.687 6.552 -2.597) 7.954 16.483 ( -4.517 -6.850 -0.028) 8.205 ======================= Grid point 1996 (600/670) ======================= q-point: ( 0.74 0.47 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.318 ( 14.461 11.905 -0.949) 18.755 6.323 ( 7.719 21.934 -0.683) 23.262 6.932 ( 16.202 31.933 1.136) 35.826 8.196 ( 2.518 9.052 -4.167) 10.278 8.440 ( 15.977 9.065 0.714) 18.383 9.661 ( 1.219 -0.814 0.702) 1.625 12.435 ( -4.429 -6.190 -1.511) 7.760 13.292 ( -0.597 -0.848 -4.118) 4.246 14.014 ( -6.785 -18.495 6.413) 20.717 14.874 ( 5.045 10.348 0.649) 11.531 15.234 ( -1.217 5.057 -0.665) 5.244 16.363 ( -3.957 -2.707 0.669) 4.841 ======================= Grid point 2011 (601/670) ======================= q-point: ( 0.53 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( 0.000 22.319 7.870) 23.665 4.077 ( 0.000 35.959 8.074) 36.854 5.278 ( -0.000 16.876 -4.462) 17.456 6.335 ( -0.000 52.127 -2.971) 52.212 7.431 ( -0.000 24.880 0.478) 24.885 10.079 ( 0.000 -19.659 1.748) 19.737 12.446 ( 0.000 -5.880 6.951) 9.105 13.905 ( -0.000 6.702 -7.551) 10.096 14.326 ( -0.000 9.102 -3.420) 9.723 14.640 ( 0.000 -6.089 3.465) 7.006 15.455 ( -0.000 -19.490 -2.317) 19.627 16.899 ( -0.000 -10.379 -5.782) 11.881 ======================= Grid point 2012 (602/670) ======================= q-point: ( 0.58 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( -4.583 25.313 4.810) 26.171 4.605 ( 15.676 33.547 7.482) 37.777 5.473 ( 4.006 19.591 -4.987) 20.609 6.879 ( 7.291 44.324 -1.960) 44.963 7.710 ( 1.942 25.825 1.942) 25.970 9.890 ( -2.349 -13.812 0.138) 14.011 12.447 ( 2.928 -5.306 8.046) 10.073 13.791 ( -14.246 6.236 -5.831) 16.608 14.508 ( 6.594 5.116 -2.085) 8.603 14.631 ( 6.536 -1.601 2.243) 7.093 15.199 ( -4.844 -20.489 -5.147) 21.674 16.754 ( -1.368 -11.749 -4.808) 12.768 ======================= Grid point 2013 (603/670) ======================= q-point: ( 0.63 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -4.048 25.642 2.169) 26.050 5.272 ( 21.596 26.284 6.619) 34.656 5.787 ( 9.143 26.080 -5.797) 28.237 7.425 ( 11.491 31.759 0.665) 33.781 8.006 ( 0.649 26.433 1.597) 26.489 9.745 ( -2.079 -6.754 -0.570) 7.090 12.487 ( 4.096 -5.886 7.989) 10.735 13.560 ( -14.825 3.397 -3.353) 15.574 14.577 ( 2.305 1.525 1.420) 3.107 14.837 ( -2.349 -12.973 2.085) 13.348 14.874 ( 5.945 -2.113 -10.627) 12.359 16.592 ( -1.867 -11.509 -3.227) 12.098 ======================= Grid point 2014 (604/670) ======================= q-point: ( 0.68 0.53 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -1.022 23.343 1.007) 23.387 5.859 ( 18.561 17.353 3.135) 25.602 6.295 ( 16.988 32.969 -3.536) 37.257 7.891 ( 12.206 17.564 3.927) 21.746 8.253 ( -1.950 24.552 -0.280) 24.631 9.680 ( -1.154 -0.763 -0.777) 1.587 12.506 ( 1.675 -6.812 5.326) 8.807 13.361 ( -8.843 0.450 1.085) 8.921 14.426 ( -12.186 -17.056 -7.823) 22.375 14.699 ( 4.563 5.281 1.026) 7.054 15.089 ( 9.425 3.137 -1.485) 10.044 16.450 ( -1.279 -8.943 -1.610) 9.177 ======================= Grid point 2031 (605/670) ======================= q-point: ( 0.58 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 0.000 27.687 4.747) 28.091 4.807 ( 0.000 30.525 5.621) 31.039 5.619 ( -0.000 20.833 -3.677) 21.155 7.223 ( -0.000 37.025 -0.984) 37.038 7.992 ( 0.000 30.647 3.750) 30.875 9.786 ( -0.000 -9.596 -1.005) 9.648 12.407 ( 0.000 -4.635 9.311) 10.400 13.993 ( -0.000 5.879 -4.017) 7.120 14.469 ( -0.000 6.366 -3.814) 7.421 14.542 ( 0.000 -5.009 3.635) 6.189 15.013 ( -0.000 -19.840 -8.295) 21.504 16.622 ( -0.000 -13.038 -4.754) 13.877 ======================= Grid point 2032 (606/670) ======================= q-point: ( 0.63 0.58 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( -6.201 28.037 3.509) 28.928 5.229 ( 13.472 23.210 4.439) 27.201 5.883 ( 6.373 24.777 -3.314) 25.797 7.592 ( 4.581 27.953 2.092) 28.403 8.313 ( -1.007 30.560 3.529) 30.780 9.711 ( -0.531 -2.797 -1.481) 3.209 12.414 ( 1.944 -5.172 9.881) 11.321 13.849 ( -15.786 1.319 -1.166) 15.884 14.556 ( 3.213 -0.268 2.520) 4.092 14.646 ( 12.808 2.252 -1.969) 13.152 14.749 ( -4.321 -15.955 -12.705) 20.849 16.471 ( -0.163 -12.909 -3.898) 13.485 ======================= Grid point 2033 (607/670) ======================= q-point: (-0.32 -0.42 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( -7.293 26.328 2.688) 27.451 5.711 ( 17.794 15.317 2.907) 23.658 6.314 ( 13.929 27.767 -2.817) 31.193 7.941 ( 6.078 19.786 5.749) 21.482 8.558 ( -3.768 23.896 2.236) 24.295 9.705 ( -0.815 4.263 -1.683) 4.655 12.433 ( 2.179 -6.153 8.824) 10.976 13.560 ( -14.709 -4.234 2.799) 15.560 14.426 ( -9.145 -11.494 -14.052) 20.328 14.667 ( 5.276 4.717 1.215) 7.181 14.895 ( 13.598 0.168 -2.054) 13.753 16.345 ( 0.947 -10.551 -2.679) 10.927 ======================= Grid point 2051 (608/670) ======================= q-point: (-0.37 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.618 ( 0.000 27.048 4.162) 27.366 5.331 ( 0.000 18.546 2.773) 18.752 6.060 ( -0.000 24.730 -1.986) 24.810 7.830 ( 0.000 24.506 4.762) 24.964 8.630 ( 0.000 25.999 3.826) 26.279 9.717 ( -0.000 5.242 -1.837) 5.555 12.385 ( 0.000 -5.753 10.990) 12.405 14.035 ( 0.000 -3.062 2.734) 4.105 14.402 ( 0.000 -7.082 2.962) 7.677 14.596 ( -0.000 -9.627 -17.587) 20.050 14.614 ( -0.000 6.600 -3.467) 7.455 16.325 ( -0.000 -12.923 -3.689) 13.439 ======================= Grid point 2052 (609/670) ======================= q-point: (-0.32 -0.37 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( -6.688 24.851 4.080) 26.056 5.602 ( 11.237 12.656 2.187) 17.065 6.367 ( 8.061 23.664 -1.797) 25.064 8.102 ( 2.118 20.599 7.927) 22.173 8.831 ( -2.495 15.945 3.143) 16.442 9.800 ( -1.141 13.456 -2.019) 13.654 12.376 ( 1.315 -6.927 11.025) 13.087 13.779 ( -16.517 -10.372 4.681) 20.057 14.401 ( -3.302 -5.754 -14.162) 15.639 14.563 ( 12.827 0.391 -0.761) 12.856 14.699 ( 4.934 4.422 -5.518) 8.622 16.202 ( 1.427 -10.758 -2.971) 11.252 ======================= Grid point 2071 (610/670) ======================= q-point: (-0.32 -0.32 -0.74) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.139 ( 0.000 20.752 5.183) 21.390 5.617 ( 0.000 9.255 1.605) 9.393 6.506 ( -0.000 19.459 -1.546) 19.520 8.322 ( 0.000 19.140 10.405) 21.786 8.976 ( 0.000 7.486 2.963) 8.051 9.976 ( -0.000 18.983 -2.267) 19.118 12.331 ( 0.000 -8.556 11.980) 14.722 13.864 ( 0.000 -14.481 4.875) 15.280 14.291 ( 0.000 -6.224 3.659) 7.220 14.438 ( -0.000 7.196 -21.700) 22.862 14.698 ( -0.000 4.685 -4.415) 6.437 16.078 ( -0.000 -8.682 -2.751) 9.107 ======================= Grid point 2292 (611/670) ======================= q-point: ( 0.32 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 -0.000 14.076) 14.076 1.410 ( 0.000 -0.000 14.076) 14.076 3.018 ( 0.000 -0.000 30.286) 30.286 4.480 ( -0.000 0.000 -1.057) 1.057 4.480 ( -0.000 0.000 -1.057) 1.057 12.616 ( -0.000 0.000 -9.817) 9.817 13.781 ( -0.000 0.000 -2.043) 2.043 13.781 ( -0.000 0.000 -2.043) 2.043 14.936 ( 0.000 -0.000 1.018) 1.018 14.936 ( 0.000 -0.000 1.018) 1.018 15.622 ( 0.000 -0.000 8.317) 8.317 16.778 ( -0.000 0.000 -2.927) 2.927 ======================= Grid point 2293 (612/670) ======================= q-point: ( 0.37 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 11.766 6.793 12.487) 18.453 1.878 ( 31.358 18.105 11.577) 38.015 3.085 ( -2.566 -1.482 24.917) 25.092 4.501 ( 2.602 1.502 -0.932) 3.146 4.858 ( 29.580 17.078 -4.847) 34.498 12.426 ( -14.732 -8.505 -4.102) 17.498 13.617 ( -12.732 -7.351 -1.122) 14.744 13.760 ( 0.404 0.233 -1.212) 1.298 14.371 ( -34.879 -20.138 7.469) 40.962 14.965 ( 0.593 0.342 0.325) 0.758 15.736 ( 5.615 3.242 9.509) 11.509 17.070 ( 17.304 9.990 -10.118) 22.397 ======================= Grid point 2294 (613/670) ======================= q-point: ( 0.42 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 23.111 13.343 10.147) 28.550 2.670 ( 23.115 13.346 18.333) 32.381 3.230 ( 18.262 10.543 7.548) 22.397 4.585 ( 4.845 2.797 -1.086) 5.699 5.631 ( 36.863 21.283 -8.271) 43.362 11.885 ( -31.727 -18.318 8.680) 37.650 13.321 ( -10.807 -6.239 -0.003) 12.479 13.746 ( -19.207 -11.089 0.150) 22.179 13.793 ( 2.651 1.531 -0.100) 3.063 14.964 ( -0.680 -0.393 -0.422) 0.891 15.881 ( 2.493 1.439 10.634) 11.016 17.295 ( 5.478 3.162 -12.093) 13.647 ======================= Grid point 2295 (614/670) ======================= q-point: ( 0.47 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 31.202 18.015 6.911) 36.686 2.959 ( 5.351 3.089 16.134) 17.277 4.102 ( 47.352 27.339 -1.179) 54.690 4.710 ( 6.344 3.663 -1.066) 7.403 6.415 ( 33.138 19.132 -8.902) 39.286 11.145 ( -33.714 -19.465 12.236) 40.807 13.117 ( -6.970 -4.024 -4.986) 9.468 13.471 ( -5.231 -3.020 -0.744) 6.086 13.882 ( 4.898 2.828 1.187) 5.779 14.929 ( -2.090 -1.207 -1.171) 2.683 15.899 ( -4.591 -2.651 9.291) 10.697 17.256 ( -4.451 -2.570 -9.543) 10.838 ======================= Grid point 2296 (615/670) ======================= q-point: ( 0.53 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 13.056 7.538 6.776) 16.529 3.494 ( 34.577 19.963 2.542) 40.007 4.877 ( 8.579 4.953 0.247) 9.909 5.225 ( 49.428 28.537 -1.646) 57.098 7.074 ( 27.082 15.636 -9.068) 32.560 10.485 ( -26.310 -15.190 8.835) 31.639 12.949 ( -4.880 -2.818 -10.910) 12.279 13.457 ( 2.385 1.377 5.187) 5.873 14.024 ( 6.658 3.844 2.432) 8.063 14.858 ( -3.559 -2.055 -1.896) 4.526 15.732 ( -12.371 -7.143 5.697) 15.379 17.056 ( -9.717 -5.610 -4.972) 12.273 ======================= Grid point 2297 (616/670) ======================= q-point: ( 0.58 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.610 ( 20.327 11.736 0.166) 23.473 4.281 ( 32.791 18.932 -2.615) 37.954 5.125 ( 12.765 7.370 3.416) 15.130 6.325 ( 45.679 26.373 -2.163) 52.790 7.614 ( 23.607 13.629 -9.435) 28.845 10.012 ( -17.057 -9.848 5.230) 20.378 12.807 ( -3.615 -2.087 -13.451) 14.083 13.591 ( 6.344 3.663 9.912) 12.325 14.199 ( 7.421 4.285 3.400) 9.219 14.752 ( -4.926 -2.844 -2.542) 6.230 15.381 ( -18.986 -10.962 1.965) 22.012 16.798 ( -11.482 -6.629 -0.145) 13.259 ======================= Grid point 2298 (617/670) ======================= q-point: ( 0.63 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 24.177 13.959 -3.242) 28.105 4.937 ( 24.514 14.153 -5.577) 28.851 5.512 ( 19.555 11.290 5.572) 23.257 7.260 ( 35.218 20.333 -3.990) 40.861 8.135 ( 25.344 14.632 -8.387) 30.442 9.738 ( -7.969 -4.601 2.979) 9.672 12.673 ( -3.742 -2.161 -13.797) 14.457 13.808 ( 8.466 4.888 12.043) 15.511 14.380 ( 6.755 3.900 3.831) 8.690 14.617 ( -5.638 -3.255 -2.883) 7.120 14.901 ( -22.301 -12.876 1.185) 25.778 16.534 ( -11.739 -6.777 2.841) 13.850 ======================= Grid point 2299 (618/670) ======================= q-point: ( 0.68 0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.668 ( 23.644 13.651 -4.539) 27.677 5.365 ( 14.799 8.544 -3.187) 17.383 6.031 ( 22.491 12.985 3.032) 26.146 7.902 ( 23.314 13.460 -7.747) 28.013 8.681 ( 21.341 12.321 -5.072) 25.159 9.695 ( 4.649 2.684 1.958) 5.714 12.522 ( -5.117 -2.954 -13.033) 14.310 14.031 ( 5.140 2.968 5.088) 7.818 14.428 ( -17.104 -9.875 10.164) 22.212 14.435 ( -5.080 -2.933 -2.749) 6.479 14.573 ( 4.654 2.687 3.631) 6.485 16.284 ( -10.863 -6.272 3.547) 13.035 ======================= Grid point 2312 (619/670) ======================= q-point: ( 0.37 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 12.443 11.614) 17.021 1.907 ( 0.000 34.714 11.077) 36.439 3.177 ( 0.000 -3.854 22.403) 22.732 4.516 ( -0.000 3.867 -1.365) 4.101 4.821 ( -0.000 32.097 -3.630) 32.301 12.403 ( -0.000 -16.030 -3.983) 16.517 13.506 ( 0.000 -22.503 1.513) 22.553 13.821 ( -0.000 3.775 -2.451) 4.501 14.528 ( 0.000 -29.300 3.077) 29.462 14.901 ( 0.000 -2.477 1.634) 2.967 15.778 ( 0.000 7.900 9.037) 12.003 17.015 ( -0.000 17.007 -8.963) 19.224 ======================= Grid point 2313 (620/670) ======================= q-point: ( 0.42 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 11.879 18.113 10.097) 23.899 2.522 ( 20.623 31.082 13.772) 39.762 3.218 ( 1.369 4.000 11.863) 12.594 4.571 ( 1.824 5.721 -1.371) 6.159 5.359 ( 21.484 34.331 -5.867) 40.922 12.073 ( -14.104 -26.463 4.249) 30.286 13.274 ( -1.135 -20.589 2.862) 20.818 13.768 ( -8.634 -2.602 -3.350) 9.620 14.111 ( -15.177 -5.751 1.040) 16.263 14.897 ( 2.163 -5.315 0.566) 5.766 15.919 ( 2.041 5.703 9.748) 11.477 17.189 ( 6.129 7.572 -10.992) 14.688 ======================= Grid point 2314 (621/670) ======================= q-point: ( 0.47 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 22.263 22.531 7.642) 32.583 2.960 ( 4.756 0.679 18.624) 19.234 3.732 ( 31.559 38.028 -2.223) 49.468 4.680 ( 3.733 7.465 -1.502) 8.480 6.088 ( 27.100 28.612 -6.854) 40.000 11.458 ( -25.047 -29.973 10.057) 40.335 13.105 ( -0.688 -12.573 0.651) 12.609 13.487 ( -9.126 -7.336 -5.483) 12.929 14.023 ( -5.496 13.275 1.389) 14.435 14.876 ( 2.340 -6.572 -0.704) 7.012 15.981 ( -2.729 -0.716 9.046) 9.476 17.238 ( 0.006 -0.531 -9.856) 9.870 ======================= Grid point 2315 (622/670) ======================= q-point: ( 0.53 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 13.984 3.880 6.766) 16.012 3.266 ( 22.526 25.638 6.168) 34.681 4.707 ( 28.603 24.005 -0.786) 37.349 4.891 ( 17.520 24.113 -1.797) 29.860 6.768 ( 25.110 21.509 -7.025) 33.801 10.775 ( -24.915 -24.171 8.465) 35.730 12.968 ( -4.207 -5.011 -6.364) 9.127 13.361 ( 3.213 -6.198 0.554) 7.004 14.110 ( -2.198 14.698 2.998) 15.161 14.840 ( 0.902 -5.488 -1.860) 5.865 15.865 ( -9.153 -7.709 6.201) 13.478 17.122 ( -6.142 -4.573 -6.074) 9.774 ======================= Grid point 2316 (623/670) ======================= q-point: ( 0.58 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 18.309 4.645 1.161) 18.925 4.030 ( 26.803 31.820 -0.381) 41.607 5.020 ( 9.910 8.937 1.870) 13.475 5.883 ( 40.545 37.121 -1.863) 55.003 7.330 ( 21.906 15.970 -7.470) 28.120 10.219 ( -18.687 -16.034 5.246) 25.176 12.820 ( -5.152 -1.301 -10.998) 12.215 13.441 ( 10.564 -6.087 6.467) 13.801 14.250 ( 0.196 13.376 4.521) 14.120 14.781 ( -1.927 -2.785 -2.728) 4.348 15.565 ( -15.127 -13.063 2.653) 20.162 16.914 ( -9.480 -6.178 -1.369) 11.398 ======================= Grid point 2317 (624/670) ======================= q-point: ( 0.63 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 24.933 7.350 -2.616) 26.125 4.757 ( 20.929 30.574 -5.352) 37.436 5.350 ( 15.385 12.099 5.406) 20.305 6.884 ( 35.462 30.120 -2.321) 46.585 7.822 ( 22.748 13.612 -7.597) 27.577 9.854 ( -11.135 -8.633 3.082) 14.423 12.680 ( -4.855 -0.775 -12.230) 13.181 13.625 ( 13.778 -6.313 8.664) 17.457 14.409 ( 1.925 10.581 5.506) 12.082 14.696 ( -5.540 0.455 -2.400) 6.055 15.129 ( -18.820 -14.720 0.650) 23.902 16.674 ( -10.827 -6.667 2.124) 12.891 ======================= Grid point 2318 (625/670) ======================= q-point: ( 0.68 0.37 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( 27.657 8.153 -3.831) 29.087 5.282 ( 11.581 22.539 -4.780) 25.787 5.839 ( 20.031 18.303 4.405) 27.489 7.632 ( 23.671 19.553 -4.977) 31.103 8.365 ( 26.401 13.219 -5.480) 30.029 9.691 ( -2.230 -1.733 2.061) 3.496 12.539 ( -5.138 -1.492 -11.897) 13.044 13.816 ( 12.584 -9.875 4.877) 16.723 14.557 ( 1.941 3.278 2.234) 4.416 14.567 ( -9.120 -2.061 10.501) 14.060 14.702 ( -15.722 -0.888 -3.485) 16.128 16.429 ( -11.174 -6.165 3.444) 13.218 ======================= Grid point 2332 (626/670) ======================= q-point: ( 0.42 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 22.705 9.517) 24.619 2.719 ( 0.000 26.091 18.429) 31.943 3.314 ( 0.000 16.271 3.550) 16.654 4.610 ( -0.000 6.733 -1.919) 7.001 5.541 ( -0.000 40.249 -4.772) 40.531 11.913 ( 0.000 -33.214 6.580) 33.860 13.080 ( 0.000 -19.813 3.999) 20.213 13.894 ( -0.000 5.582 -2.926) 6.302 14.049 ( -0.000 -16.469 -5.785) 17.455 14.863 ( 0.000 -2.911 2.413) 3.781 15.989 ( 0.000 4.181 8.962) 9.889 17.174 ( -0.000 6.507 -9.856) 11.810 ======================= Grid point 2333 (627/670) ======================= q-point: ( 0.47 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 11.551 26.766 8.372) 30.331 2.964 ( 3.094 0.036 19.537) 19.781 3.748 ( 14.795 46.905 -3.822) 49.332 4.700 ( 2.570 8.629 -2.294) 9.291 6.038 ( 13.245 35.853 -4.553) 38.492 11.482 ( -12.095 -36.101 8.905) 39.101 12.939 ( 2.456 -15.320 3.865) 15.990 13.639 ( -15.689 -2.989 -8.043) 17.882 14.127 ( 7.359 5.341 -2.749) 9.500 14.807 ( -2.476 -4.421 1.925) 5.421 16.033 ( -1.017 -2.205 7.621) 7.999 17.193 ( 0.792 0.867 -8.736) 8.815 ======================= Grid point 2334 (628/670) ======================= q-point: ( 0.53 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 8.556 9.730 7.383) 14.913 3.199 ( 16.780 22.463 9.505) 29.605 4.573 ( 22.785 42.118 -2.212) 47.937 4.879 ( 8.831 17.612 -2.612) 19.874 6.616 ( 17.703 27.628 -4.228) 33.084 10.902 ( -17.887 -30.985 7.195) 36.493 12.882 ( 3.756 -10.661 2.782) 11.640 13.369 ( -9.698 0.217 -7.797) 12.445 14.294 ( 1.627 12.785 0.505) 12.898 14.738 ( 0.900 -6.314 -0.039) 6.378 15.937 ( -6.340 -9.619 5.168) 12.627 17.133 ( -2.817 -3.671 -6.206) 7.741 ======================= Grid point 2335 (629/670) ======================= q-point: ( 0.58 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 10.469 5.272 2.626) 12.012 3.928 ( 25.230 35.526 3.411) 43.707 4.981 ( 7.157 12.704 -0.959) 14.613 5.659 ( 31.871 44.552 -2.003) 54.814 7.142 ( 17.341 19.910 -4.296) 26.750 10.355 ( -16.359 -21.754 4.240) 27.547 12.839 ( -1.082 -4.372 -2.985) 5.403 13.271 ( 1.872 -2.389 -0.991) 3.193 14.430 ( -2.243 13.239 4.520) 14.168 14.724 ( 3.735 -3.220 -3.015) 5.780 15.665 ( -11.871 -15.438 2.252) 19.604 16.984 ( -6.453 -6.158 -2.573) 9.283 ======================= Grid point 2336 (630/670) ======================= q-point: ( 0.63 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 18.337 7.827 -1.377) 19.985 4.724 ( 22.264 38.073 -2.539) 44.178 5.263 ( 11.159 13.461 3.082) 17.754 6.633 ( 31.949 38.501 -1.816) 50.064 7.588 ( 17.221 14.422 -4.714) 22.952 9.955 ( -11.271 -12.629 2.331) 17.087 12.730 ( -5.560 -0.651 -8.250) 9.970 13.358 ( 10.872 -6.044 5.114) 13.449 14.517 ( -1.113 6.822 5.083) 8.580 14.768 ( 0.340 5.564 -2.010) 5.926 15.260 ( -15.214 -17.963 -0.013) 23.540 16.781 ( -8.616 -7.154 0.721) 11.222 ======================= Grid point 2337 (631/670) ======================= q-point: ( 0.68 0.42 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 24.635 8.476 -2.722) 26.194 5.347 ( 10.244 31.084 -6.643) 33.395 5.716 ( 19.843 21.126 6.559) 29.717 7.446 ( 22.953 27.250 -3.072) 35.761 8.038 ( 22.834 12.366 -4.020) 26.276 9.732 ( -5.138 -5.019 1.555) 7.349 12.586 ( -6.277 -0.646 -9.333) 11.266 13.516 ( 12.282 -8.878 4.476) 15.802 14.578 ( 0.648 3.346 1.370) 3.673 14.734 ( -11.902 -9.993 10.927) 18.998 14.899 ( -7.093 3.994 -6.177) 10.219 16.559 ( -9.589 -6.693 2.539) 11.967 ======================= Grid point 2352 (632/670) ======================= q-point: ( 0.47 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 0.000 30.500 8.356) 31.623 3.003 ( 0.000 -0.554 16.754) 16.763 4.116 ( -0.000 54.544 -3.802) 54.677 4.756 ( -0.000 9.749 -2.810) 10.146 6.279 ( -0.000 35.772 -3.023) 35.900 11.244 ( 0.000 -37.521 7.889) 38.342 12.787 ( 0.000 -13.285 4.686) 14.087 13.797 ( -0.000 -3.014 -10.254) 10.688 14.000 ( -0.000 7.310 -3.293) 8.017 14.820 ( 0.000 -3.611 3.040) 4.720 16.026 ( 0.000 -6.519 5.553) 8.563 17.161 ( -0.000 -0.766 -7.163) 7.204 ======================= Grid point 2353 (633/670) ======================= q-point: ( 0.53 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -0.357 12.149 8.764) 14.984 3.210 ( 13.459 25.400 9.842) 30.383 4.743 ( 7.876 45.353 -3.088) 46.135 4.911 ( 8.133 21.646 -2.952) 23.312 6.678 ( 7.799 30.307 -1.857) 31.349 10.830 ( -8.529 -33.326 5.407) 34.823 12.717 ( 3.480 -10.547 5.478) 12.384 13.577 ( -14.059 3.338 -9.262) 17.163 14.233 ( 13.279 7.410 -3.845) 15.685 14.748 ( -4.566 -3.613 3.174) 6.632 15.925 ( -3.175 -12.556 3.191) 13.339 17.106 ( -1.108 -4.110 -5.531) 6.979 ======================= Grid point 2354 (634/670) ======================= q-point: ( 0.58 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 1.993 9.739 4.421) 10.880 3.889 ( 22.531 36.056 6.583) 43.024 5.017 ( 4.165 15.357 -3.859) 16.373 5.652 ( 22.418 49.845 -1.546) 54.676 7.106 ( 10.673 23.463 -1.173) 25.804 10.374 ( -11.199 -24.862 2.651) 27.396 12.727 ( 5.274 -7.995 5.375) 10.983 13.363 ( -11.113 4.688 -7.652) 14.284 14.521 ( 11.270 9.461 -2.828) 14.985 14.647 ( -4.137 -2.535 3.066) 5.739 15.681 ( -8.329 -17.815 0.926) 19.687 16.993 ( -3.499 -6.964 -3.369) 8.490 ======================= Grid point 2355 (635/670) ======================= q-point: ( 0.63 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 8.029 12.464 0.584) 14.838 4.701 ( 24.864 38.706 3.033) 46.104 5.257 ( 7.097 16.298 -2.264) 17.920 6.541 ( 25.572 44.041 -0.976) 50.937 7.491 ( 10.819 17.273 -1.266) 20.421 9.999 ( -9.136 -15.408 1.052) 17.944 12.742 ( 1.041 -4.866 1.227) 5.125 13.251 ( -2.419 1.613 -2.394) 3.766 14.592 ( -1.476 -0.521 2.084) 2.606 14.777 ( 7.047 10.905 -0.844) 13.011 15.303 ( -12.448 -20.857 -0.658) 24.299 16.827 ( -5.608 -8.415 -0.938) 10.156 ======================= Grid point 2356 (636/670) ======================= q-point: ( 0.68 0.47 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 15.239 12.961 -1.015) 20.031 5.467 ( 13.236 37.155 -7.198) 40.093 5.613 ( 18.669 19.656 7.284) 28.070 7.360 ( 22.091 34.784 -1.221) 41.224 7.829 ( 13.257 12.005 -1.360) 17.936 9.766 ( -5.157 -7.258 0.565) 8.921 12.657 ( -5.458 -2.291 -4.201) 7.258 13.291 ( 6.589 -3.278 2.496) 7.771 14.601 ( 0.529 2.183 0.446) 2.290 14.845 ( -13.498 -19.092 5.409) 23.999 14.983 ( 2.423 9.084 -3.743) 10.119 16.635 ( -6.772 -8.030 0.932) 10.545 ======================= Grid point 2372 (637/670) ======================= q-point: ( 0.53 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 0.000 9.924 9.253) 13.569 3.395 ( 0.000 35.119 7.731) 35.960 4.959 ( -0.000 13.168 -3.906) 13.735 5.223 ( -0.000 57.042 -2.241) 57.086 6.909 ( -0.000 28.702 0.045) 28.702 10.593 ( 0.000 -30.851 3.026) 30.999 12.614 ( 0.000 -8.566 6.836) 10.960 13.746 ( -0.000 4.825 -9.877) 10.993 14.134 ( -0.000 8.631 -3.554) 9.334 14.762 ( 0.000 -4.726 3.389) 5.815 15.819 ( 0.000 -16.083 1.067) 16.118 17.045 ( -0.000 -6.203 -4.781) 7.831 ======================= Grid point 2373 (638/670) ======================= q-point: ( 0.58 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -3.787 16.036 5.666) 17.424 3.934 ( 16.012 35.828 7.503) 39.954 5.102 ( 2.156 15.641 -4.759) 16.490 5.875 ( 10.985 53.624 -1.362) 54.754 7.224 ( 4.292 25.178 1.550) 25.588 10.272 ( -5.024 -24.417 0.788) 24.941 12.596 ( 3.419 -6.873 7.946) 11.049 13.619 ( -13.389 7.158 -8.432) 17.366 14.355 ( 12.875 7.703 -4.391) 15.633 14.705 ( -2.044 -3.450 3.781) 5.511 15.603 ( -4.413 -19.847 -0.746) 20.345 16.943 ( -1.375 -8.656 -3.863) 9.578 ======================= Grid point 2374 (639/670) ======================= q-point: ( 0.63 0.53 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( -1.377 19.144 2.585) 19.367 4.670 ( 23.398 35.913 6.568) 43.362 5.314 ( 5.033 18.681 -5.593) 20.139 6.623 ( 17.069 46.535 -0.110) 49.567 7.550 ( 5.118 21.462 2.046) 22.159 9.971 ( -5.711 -16.083 -0.388) 17.072 12.638 ( 4.665 -6.193 7.774) 10.979 13.426 ( -12.766 6.667 -6.595) 15.841 14.562 ( 4.319 0.623 -2.465) 5.012 14.745 ( 7.078 6.167 1.753) 9.550 15.269 ( -9.009 -22.360 -1.651) 24.164 16.800 ( -2.759 -10.185 -2.465) 10.836 ======================= Grid point 2392 (640/670) ======================= q-point: ( 0.58 0.58 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 0.000 21.243 5.405) 21.920 4.164 ( 0.000 35.501 7.068) 36.198 5.224 ( -0.000 16.880 -4.784) 17.544 6.311 ( -0.000 52.041 -1.159) 52.054 7.456 ( 0.000 25.827 3.900) 26.120 10.085 ( 0.000 -20.572 -0.842) 20.589 12.540 ( 0.000 -5.372 9.485) 10.901 13.812 ( -0.000 8.276 -8.784) 12.068 14.284 ( -0.000 9.036 -3.839) 9.817 14.681 ( 0.000 -5.992 3.537) 6.958 15.428 ( -0.000 -21.909 -2.316) 22.031 16.843 ( -0.000 -10.611 -4.015) 11.345 ======================= Grid point 2393 (641/670) ======================= q-point: (-0.37 -0.42 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -5.614 24.732 3.854) 25.652 4.687 ( 16.032 32.797 6.775) 37.129 5.413 ( 3.218 19.970 -5.504) 20.963 6.869 ( 7.831 44.845 0.256) 45.525 7.750 ( 1.256 26.330 5.014) 26.832 9.881 ( -2.187 -14.242 -1.614) 14.499 12.551 ( 2.545 -4.957 10.310) 11.720 13.716 ( -13.776 8.177 -7.307) 17.607 14.468 ( 8.521 6.939 -4.637) 11.927 14.664 ( 4.440 -3.407 3.116) 6.406 15.150 ( -4.532 -23.328 -3.136) 23.970 16.707 ( -0.832 -11.926 -3.544) 12.469 ======================= Grid point 2412 (642/670) ======================= q-point: (-0.37 -0.37 -0.68) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.081 ( 0.000 27.332 4.135) 27.643 4.872 ( 0.000 29.048 5.747) 29.611 5.571 ( -0.000 21.947 -4.722) 22.449 7.227 ( -0.000 38.624 1.696) 38.661 8.050 ( 0.000 30.224 6.423) 30.899 9.768 ( -0.000 -9.706 -2.181) 9.948 12.527 ( 0.000 -4.438 11.721) 12.533 13.924 ( -0.000 9.025 -8.164) 12.170 14.425 ( -0.000 7.433 -3.903) 8.396 14.581 ( 0.000 -6.098 3.307) 6.937 14.936 ( -0.000 -24.003 -4.980) 24.514 16.573 ( -0.000 -13.037 -3.865) 13.597 ======================= Grid point 2674 (643/670) ======================= q-point: ( 0.37 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 0.000 -0.000 10.523) 10.523 1.550 ( 0.000 -0.000 10.523) 10.523 3.321 ( 0.000 -0.000 22.671) 22.671 4.468 ( -0.000 0.000 -0.936) 0.936 4.468 ( -0.000 0.000 -0.936) 0.936 12.514 ( -0.000 0.000 -7.946) 7.946 13.761 ( -0.000 0.000 -1.603) 1.603 13.761 ( -0.000 0.000 -1.603) 1.603 14.946 ( 0.000 -0.000 0.780) 0.780 14.946 ( 0.000 -0.000 0.780) 0.780 15.710 ( 0.000 -0.000 7.019) 7.019 16.744 ( -0.000 0.000 -2.821) 2.821 ======================= Grid point 2675 (644/670) ======================= q-point: ( 0.42 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 11.395 6.579 9.005) 15.944 1.992 ( 31.204 18.015 8.353) 36.986 3.329 ( -5.357 -3.093 17.844) 18.885 4.492 ( 2.591 1.496 -0.683) 3.069 4.812 ( 27.317 15.772 -3.256) 31.711 12.377 ( -10.410 -6.010 -4.154) 12.718 13.600 ( -12.074 -6.971 -1.679) 14.042 13.751 ( 0.830 0.479 -0.479) 1.072 14.446 ( -33.795 -19.511 5.686) 39.435 14.966 ( 0.254 0.147 -0.182) 0.346 15.836 ( 6.759 3.902 7.906) 11.110 16.967 ( 14.169 8.180 -7.856) 18.149 ======================= Grid point 2676 (645/670) ======================= q-point: ( 0.47 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 22.303 12.877 6.684) 26.607 2.850 ( 32.342 18.673 13.085) 39.571 3.298 ( 5.533 3.194 4.270) 7.684 4.576 ( 4.745 2.739 -0.592) 5.511 5.553 ( 35.680 20.600 -5.485) 41.563 11.955 ( -26.573 -15.342 4.002) 30.943 13.303 ( -11.762 -6.791 -3.137) 13.939 13.772 ( -22.274 -12.860 4.207) 26.062 13.797 ( 3.133 1.809 0.791) 3.703 14.955 ( -0.973 -0.562 -1.113) 1.582 15.993 ( 2.731 1.577 8.782) 9.331 17.169 ( 5.531 3.194 -9.737) 11.645 ======================= Grid point 2677 (646/670) ======================= q-point: ( 0.53 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 29.861 17.240 3.226) 34.631 3.114 ( 1.164 0.672 10.552) 10.637 4.082 ( 47.857 27.630 -1.941) 55.294 4.704 ( 6.573 3.795 -0.050) 7.589 6.329 ( 32.555 18.796 -6.084) 38.081 11.255 ( -33.350 -19.254 7.186) 39.173 13.037 ( -9.340 -5.392 -8.348) 13.638 13.501 ( -4.242 -2.449 5.386) 7.281 13.901 ( 5.376 3.104 2.056) 6.540 14.911 ( -2.337 -1.349 -1.942) 3.325 15.994 ( -5.614 -3.241 7.085) 9.604 17.160 ( -2.881 -1.663 -6.951) 7.706 ======================= Grid point 2678 (647/670) ======================= q-point: ( 0.58 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 10.119 5.842 2.206) 11.891 3.502 ( 32.804 18.940 -1.242) 37.899 4.889 ( 9.552 5.515 1.847) 11.184 5.210 ( 49.354 28.494 -0.946) 56.996 6.984 ( 26.415 15.250 -6.504) 31.187 10.566 ( -27.313 -15.769 5.251) 31.973 12.821 ( -6.150 -3.550 -11.034) 13.121 13.536 ( 3.823 2.207 8.176) 9.291 14.055 ( 7.046 4.068 3.096) 8.705 14.832 ( -3.762 -2.172 -2.631) 5.078 15.787 ( -13.897 -8.024 3.810) 16.493 17.015 ( -7.673 -4.430 -2.123) 9.111 ======================= Grid point 2679 (648/670) ======================= q-point: ( 0.63 0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.597 ( 18.781 10.843 -2.531) 21.833 4.235 ( 31.272 18.055 -5.280) 36.493 5.171 ( 14.029 8.100 4.514) 16.816 6.308 ( 45.233 26.115 -0.675) 52.235 7.519 ( 23.104 13.339 -7.082) 27.602 10.061 ( -17.838 -10.299 3.256) 20.854 12.662 ( -4.198 -2.424 -11.878) 12.829 13.705 ( 7.377 4.259 9.880) 13.046 14.240 ( 7.669 4.427 3.768) 9.623 14.719 ( -5.072 -2.928 -3.153) 6.652 15.403 ( -19.697 -11.372 2.053) 22.837 16.808 ( -10.031 -5.791 1.989) 11.752 ======================= Grid point 2694 (649/670) ======================= q-point: ( 0.42 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 12.437 7.815) 14.689 2.013 ( 0.000 35.261 7.555) 36.061 3.391 ( 0.000 -7.030 15.184) 16.732 4.502 ( -0.000 3.591 -1.138) 3.766 4.788 ( -0.000 30.298 -2.142) 30.374 12.358 ( -0.000 -11.434 -3.554) 11.973 13.522 ( 0.000 -19.626 1.485) 19.683 13.795 ( -0.000 3.355 -2.168) 3.995 14.552 ( 0.000 -31.221 1.109) 31.241 14.920 ( 0.000 -1.988 1.580) 2.540 15.870 ( 0.000 9.068 6.929) 11.413 16.927 ( -0.000 14.023 -6.461) 15.440 ======================= Grid point 2695 (650/670) ======================= q-point: ( 0.47 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 11.375 18.271 6.336) 22.436 2.648 ( 23.051 37.625 8.401) 44.917 3.330 ( -2.986 -4.773 7.658) 9.505 4.558 ( 2.078 5.194 -0.955) 5.675 5.306 ( 20.353 33.644 -3.432) 39.471 12.103 ( -11.582 -21.076 1.426) 24.091 13.304 ( -2.756 -18.331 2.164) 18.663 13.735 ( -8.397 -5.348 -2.326) 10.223 14.122 ( -13.198 -9.696 0.839) 16.399 14.902 ( 0.768 -4.537 0.336) 4.614 16.016 ( 2.533 6.020 7.133) 9.671 17.080 ( 5.330 7.115 -7.821) 11.840 ======================= Grid point 2696 (651/670) ======================= q-point: ( 0.53 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 20.937 22.745 3.814) 31.148 3.140 ( 0.372 -2.480 12.320) 12.572 3.696 ( 33.219 39.329 -3.519) 51.601 4.668 ( 4.113 6.778 -0.631) 7.954 6.026 ( 26.212 28.749 -3.989) 39.109 11.543 ( -24.070 -28.400 5.066) 37.571 13.095 ( -5.892 -9.806 -2.575) 11.726 13.455 ( -4.864 -11.996 0.046) 12.945 14.042 ( -4.331 12.699 1.968) 13.561 14.865 ( 1.355 -6.188 -1.223) 6.452 16.068 ( -2.919 -1.510 6.096) 6.925 17.143 ( 0.627 0.318 -6.477) 6.515 ======================= Grid point 2697 (652/670) ======================= q-point: ( 0.58 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 13.469 4.744 1.554) 14.364 3.310 ( 17.841 23.576 1.382) 29.598 4.703 ( 31.098 25.845 0.297) 40.437 4.878 ( 16.481 21.694 -0.380) 27.247 6.704 ( 24.113 21.791 -4.198) 32.771 10.846 ( -25.339 -24.660 4.029) 35.586 12.881 ( -8.169 -3.168 -8.222) 12.015 13.399 ( 7.294 -8.685 5.566) 12.634 14.148 ( -1.575 15.212 3.525) 15.694 14.815 ( 0.383 -5.610 -2.528) 6.165 15.922 ( -9.997 -8.903 3.525) 13.843 17.071 ( -4.508 -3.518 -2.669) 6.311 ======================= Grid point 2698 (653/670) ======================= q-point: ( 0.63 0.42 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 16.596 4.019 -2.201) 17.217 4.002 ( 24.305 31.897 -4.312) 40.333 5.053 ( 11.521 9.114 3.709) 15.151 5.870 ( 40.711 36.661 -0.416) 54.787 7.260 ( 20.757 16.242 -4.715) 26.775 10.262 ( -19.036 -16.635 2.381) 25.392 12.699 ( -6.765 -0.639 -9.995) 12.087 13.525 ( 12.475 -7.192 7.973) 16.459 14.303 ( 0.265 14.414 4.682) 15.158 14.746 ( -1.970 -3.088 -3.426) 5.015 15.589 ( -15.652 -13.913 1.713) 21.012 16.914 ( -7.831 -5.594 1.261) 9.706 ======================= Grid point 2714 (654/670) ======================= q-point: ( 0.47 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 0.000 23.262 5.704) 23.951 2.893 ( 0.000 38.924 11.759) 40.661 3.338 ( 0.000 1.535 0.940) 1.800 4.590 ( -0.000 6.226 -1.463) 6.396 5.500 ( -0.000 39.801 -2.287) 39.867 11.966 ( 0.000 -28.455 2.997) 28.613 13.133 ( 0.000 -19.593 5.148) 20.258 13.862 ( -0.000 5.236 -2.746) 5.912 13.980 ( -0.000 -20.622 -6.291) 21.560 14.891 ( 0.000 -2.485 2.401) 3.455 16.072 ( 0.000 4.103 5.389) 6.773 17.083 ( -0.000 6.276 -5.872) 8.595 ======================= Grid point 2715 (655/670) ======================= q-point: ( 0.53 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 10.853 27.513 4.571) 29.927 3.148 ( 0.255 -3.704 12.164) 12.718 3.699 ( 16.159 49.264 -4.270) 52.022 4.678 ( 2.741 7.853 -1.515) 8.455 6.001 ( 12.741 36.111 -1.799) 38.335 11.555 ( -11.889 -34.670 4.036) 36.873 12.991 ( 1.527 -14.954 5.079) 15.867 13.553 ( -15.493 -5.159 -7.018) 17.773 14.096 ( 9.635 4.359 -2.646) 10.901 14.829 ( -3.754 -3.569 1.873) 5.508 16.099 ( -0.896 -3.063 3.724) 4.904 17.116 ( 0.726 1.320 -4.441) 4.689 ======================= Grid point 2716 (656/670) ======================= q-point: ( 0.58 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 7.579 11.362 2.533) 13.891 3.275 ( 13.315 20.830 3.485) 24.966 4.555 ( 23.745 42.012 -0.895) 48.267 4.858 ( 9.175 16.728 -0.998) 19.105 6.584 ( 16.867 28.214 -1.444) 32.903 10.957 ( -18.185 -31.490 2.445) 36.446 12.907 ( -0.532 -8.229 1.357) 8.357 13.305 ( -5.562 -2.356 -3.083) 6.781 14.298 ( 4.756 11.694 0.197) 12.626 14.737 ( -1.491 -5.345 -0.029) 5.549 15.978 ( -6.518 -10.816 1.892) 12.769 17.084 ( -2.022 -3.097 -2.276) 4.343 ======================= Grid point 2717 (657/670) ======================= q-point: ( 0.63 0.47 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 8.527 5.222 -0.891) 10.038 3.938 ( 22.312 36.641 -1.765) 42.936 4.985 ( 9.199 11.556 1.653) 14.863 5.645 ( 31.947 44.433 -0.307) 54.727 7.109 ( 16.135 20.534 -1.605) 26.164 10.384 ( -16.445 -22.359 0.847) 27.768 12.789 ( -6.547 -1.117 -5.307) 8.501 13.293 ( 7.147 -5.479 4.458) 10.048 14.480 ( -0.471 14.286 4.140) 14.881 14.686 ( 2.539 -4.202 -3.496) 6.027 15.682 ( -12.022 -16.379 0.682) 20.329 16.972 ( -5.102 -5.992 0.396) 7.879 ======================= Grid point 2734 (658/670) ======================= q-point: ( 0.53 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 31.531 4.791) 31.893 3.149 ( 0.000 -2.848 8.413) 8.882 4.078 ( -0.000 55.950 -2.453) 56.003 4.728 ( -0.000 8.932 -2.094) 9.174 6.261 ( -0.000 36.234 -0.121) 36.235 11.305 ( 0.000 -37.578 2.827) 37.684 12.852 ( 0.000 -13.131 6.838) 14.805 13.683 ( -0.000 -3.718 -9.615) 10.308 13.962 ( -0.000 7.078 -3.189) 7.764 14.854 ( 0.000 -3.328 2.952) 4.449 16.066 ( 0.000 -7.400 1.370) 7.526 17.104 ( -0.000 -0.814 -2.603) 2.727 ======================= Grid point 2735 (659/670) ======================= q-point: ( 0.58 0.53 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -1.377 13.651 3.758) 14.225 3.293 ( 12.187 24.491 4.489) 27.722 4.715 ( 7.466 43.181 -1.748) 43.856 4.885 ( 9.047 22.932 -1.489) 24.697 6.674 ( 7.386 31.012 1.127) 31.899 10.865 ( -8.703 -34.135 0.693) 35.234 12.791 ( 2.897 -9.909 7.349) 12.672 13.478 ( -13.196 2.983 -7.991) 15.712 14.190 ( 13.779 6.920 -3.808) 15.882 14.783 ( -4.833 -3.039 2.991) 6.445 15.943 ( -3.102 -13.457 -0.125) 13.810 17.065 ( -0.846 -4.395 -1.548) 4.736 ======================= Grid point 2754 (660/670) ======================= q-point: (-0.42 -0.42 -0.63) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 0.000 9.835 3.478) 10.432 3.467 ( 0.000 36.167 4.799) 36.484 4.918 ( -0.000 12.209 -3.143) 12.607 5.207 ( -0.000 57.057 -0.527) 57.060 6.928 ( 0.000 29.573 3.333) 29.761 10.603 ( 0.000 -31.668 -1.192) 31.690 12.705 ( 0.000 -7.971 9.226) 12.192 13.636 ( -0.000 5.028 -9.348) 10.614 14.093 ( -0.000 8.459 -3.503) 9.156 14.799 ( 0.000 -4.555 3.167) 5.547 15.817 ( -0.000 -16.774 -1.425) 16.834 17.010 ( -0.000 -7.052 -1.348) 7.180 ======================= Grid point 3057 (661/670) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 -0.000 6.520) 6.520 1.647 ( 0.000 -0.000 6.520) 6.520 3.530 ( 0.000 -0.000 14.061) 14.061 4.459 ( -0.000 0.000 -0.650) 0.650 4.459 ( -0.000 0.000 -0.650) 0.650 12.438 ( -0.000 0.000 -5.183) 5.183 13.746 ( -0.000 0.000 -1.020) 1.020 13.746 ( -0.000 0.000 -1.020) 1.020 14.953 ( 0.000 -0.000 0.488) 0.488 14.953 ( 0.000 -0.000 0.488) 0.488 15.778 ( 0.000 -0.000 4.785) 4.785 16.716 ( -0.000 0.000 -2.126) 2.126 ======================= Grid point 3058 (662/670) ======================= q-point: ( 0.47 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 11.146 6.435 5.035) 13.819 2.066 ( 31.071 17.939 4.584) 36.170 3.487 ( -7.130 -4.116 9.852) 12.839 4.486 ( 2.634 1.521 -0.289) 3.056 4.783 ( 25.956 14.985 -1.847) 30.028 12.337 ( -8.117 -4.687 -2.677) 9.748 13.580 ( -12.392 -7.155 -1.836) 14.427 13.750 ( 1.340 0.774 0.293) 1.575 14.501 ( -32.004 -18.477 3.968) 37.167 14.961 ( -0.185 -0.107 -0.659) 0.693 15.911 ( 7.873 4.545 5.020) 10.384 16.894 ( 11.674 6.740 -4.894) 14.341 ======================= Grid point 3059 (663/670) ======================= q-point: ( 0.53 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 21.530 12.430 2.711) 25.008 2.961 ( 41.720 24.087 6.037) 48.551 3.330 ( -6.091 -3.517 1.575) 7.208 4.573 ( 4.806 2.775 0.065) 5.550 5.506 ( 34.837 20.113 -2.795) 40.323 11.983 ( -23.488 -13.561 1.241) 27.150 13.255 ( -13.719 -7.921 -4.959) 16.600 13.811 ( 3.636 2.099 1.615) 4.498 13.833 ( -22.447 -12.960 6.167) 26.643 14.939 ( -1.335 -0.771 -1.708) 2.301 16.075 ( 3.040 1.755 5.181) 6.258 17.080 ( 5.415 3.126 -5.632) 8.415 ======================= Grid point 3060 (664/670) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 28.516 16.464 -0.802) 32.937 3.187 ( -2.070 -1.195 1.842) 3.018 4.066 ( 48.825 28.189 -0.416) 56.380 4.709 ( 7.067 4.080 1.074) 8.231 6.277 ( 31.915 18.426 -2.983) 36.973 11.308 ( -32.820 -18.949 2.191) 37.961 12.940 ( -10.754 -6.209 -8.339) 14.958 13.581 ( -3.683 -2.127 8.232) 9.266 13.928 ( 5.799 3.348 2.752) 7.239 14.886 ( -2.607 -1.505 -2.561) 3.953 16.055 ( -6.355 -3.669 3.348) 8.066 17.104 ( -1.500 -0.866 -2.665) 3.179 ======================= Grid point 3077 (665/670) ======================= q-point: ( 0.47 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.000 12.525 3.615) 13.036 2.077 ( 0.000 35.558 3.639) 35.743 3.519 ( 0.000 -8.740 7.110) 11.266 4.491 ( -0.000 3.346 -0.724) 3.424 4.771 ( -0.000 29.394 -0.806) 29.405 12.327 ( -0.000 -9.083 -1.832) 9.266 13.540 ( 0.000 -17.262 1.616) 17.337 13.773 ( -0.000 2.804 -1.678) 3.268 14.554 ( 0.000 -32.960 -0.671) 32.967 14.937 ( 0.000 -1.407 1.385) 1.975 15.931 ( 0.000 9.883 3.489) 10.481 16.872 ( -0.000 12.143 -3.100) 12.532 ======================= Grid point 3078 (666/670) ======================= q-point: ( 0.53 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 10.939 18.479 2.161) 21.583 2.712 ( 24.186 41.215 2.830) 47.871 3.389 ( -5.391 -9.319 2.638) 11.084 4.550 ( 2.442 4.768 -0.344) 5.368 5.280 ( 19.577 33.397 -1.131) 38.729 12.112 ( -10.439 -18.380 0.292) 21.139 13.321 ( -5.915 -15.275 0.810) 16.400 13.717 ( -6.604 -7.966 -0.849) 10.382 14.129 ( -10.105 -12.971 0.318) 16.445 14.905 ( -0.896 -3.583 0.110) 3.695 16.074 ( 3.157 6.094 2.710) 7.379 17.018 ( 4.452 6.931 -2.929) 8.743 ======================= Grid point 3079 (667/670) ======================= q-point: ( 0.58 0.47 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 3430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 19.621 22.960 -0.383) 30.204 3.219 ( -4.036 -5.134 0.542) 6.553 3.671 ( 35.921 41.416 -0.058) 54.823 4.667 ( 4.704 6.364 0.457) 7.927 5.997 ( 25.471 28.879 -1.068) 38.521 11.575 ( -23.648 -27.511 0.503) 36.281 13.050 ( -11.066 -7.363 -4.953) 14.185 13.484 ( 0.071 -15.241 4.656) 15.937 14.067 ( -2.833 11.765 2.392) 12.336 14.849 ( 0.142 -5.664 -1.629) 5.896 16.113 ( -2.776 -2.138 1.441) 3.789 17.098 ( 0.918 1.005 -1.269) 1.860 ======================= Grid point 3097 (668/670) ======================= q-point: ( 0.53 0.53 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 24.013 1.521) 24.061 2.979 ( 0.000 49.805 3.080) 49.900 3.340 ( 0.000 -9.762 -0.444) 9.772 4.577 ( -0.000 5.811 -0.798) 5.865 5.489 ( -0.000 39.762 0.207) 39.762 11.986 ( 0.000 -26.354 0.715) 26.363 13.195 ( 0.000 -18.123 5.510) 18.942 13.833 ( -0.000 4.756 -2.290) 5.279 13.907 ( -0.000 -23.929 -6.579) 24.817 14.917 ( 0.000 -2.010 2.153) 2.946 16.104 ( -0.000 3.867 0.125) 3.869 17.048 ( -0.000 6.166 -0.156) 6.168 ======================= Grid point 3440 (669/670) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 -0.000 2.210) 2.210 1.697 ( 0.000 -0.000 2.210) 2.210 3.638 ( 0.000 -0.000 4.769) 4.769 4.454 ( -0.000 0.000 -0.233) 0.233 4.454 ( -0.000 0.000 -0.233) 0.233 12.398 ( -0.000 0.000 -1.802) 1.802 13.738 ( -0.000 0.000 -0.350) 0.350 13.738 ( -0.000 0.000 -0.350) 0.350 14.957 ( 0.000 -0.000 0.166) 0.166 14.957 ( 0.000 -0.000 0.166) 0.166 15.816 ( 0.000 -0.000 1.714) 1.714 16.699 ( -0.000 0.000 -0.804) 0.804 ======================= Grid point 3441 (670/670) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 3.36e-05 3.36e-05 0.00e+00 Number of triplets: 1810 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 10.971 6.334 0.752) 12.691 2.095 ( 30.951 17.870 0.495) 35.743 3.552 ( -7.890 -4.555 1.383) 9.215 4.486 ( 2.737 1.580 0.211) 3.167 4.770 ( 25.360 14.642 -0.505) 29.288 12.319 ( -7.315 -4.223 -0.462) 8.459 13.559 ( -13.395 -7.734 -1.773) 15.569 13.757 ( 1.889 1.091 1.034) 2.414 14.537 ( -30.184 -17.427 2.328) 34.931 14.951 ( -0.690 -0.398 -1.070) 1.334 15.946 ( 8.593 4.961 0.904) 9.964 16.859 ( 10.322 5.959 -1.011) 11.961 =================== 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 3/82308 10.0 436.377 436.377 1367.932 -0.000 0.000 -0.000 3/82308 20.0 344.526 344.526 605.152 -0.000 0.000 -0.000 3/82308 30.0 265.753 265.753 252.335 -0.000 0.000 -0.000 3/82308 40.0 179.842 179.842 122.057 0.000 0.000 -0.000 3/82308 50.0 123.866 123.866 67.819 0.000 0.000 -0.000 3/82308 60.0 91.929 91.929 42.310 0.000 0.000 -0.000 3/82308 70.0 73.116 73.116 28.937 0.000 0.000 -0.000 3/82308 80.0 61.047 61.047 21.252 0.000 -0.000 -0.000 3/82308 90.0 52.608 52.608 16.490 0.000 -0.000 -0.000 3/82308 100.0 46.304 46.304 13.352 0.000 -0.000 -0.000 3/82308 110.0 41.374 41.374 11.177 0.000 -0.000 -0.000 3/82308 120.0 37.397 37.397 9.607 0.000 -0.000 -0.000 3/82308 130.0 34.118 34.118 8.432 0.000 -0.000 -0.000 3/82308 140.0 31.369 31.369 7.528 0.000 -0.000 -0.000 3/82308 150.0 29.034 29.034 6.813 0.000 -0.000 -0.000 3/82308 160.0 27.027 27.027 6.236 0.000 -0.000 -0.000 3/82308 170.0 25.284 25.284 5.760 0.000 -0.000 -0.000 3/82308 180.0 23.759 23.759 5.362 0.000 -0.000 -0.000 3/82308 190.0 22.412 22.412 5.022 0.000 -0.000 -0.000 3/82308 200.0 21.215 21.215 4.730 0.000 -0.000 -0.000 3/82308 210.0 20.143 20.143 4.474 0.000 -0.000 -0.000 3/82308 220.0 19.178 19.178 4.249 0.000 -0.000 -0.000 3/82308 230.0 18.305 18.305 4.048 0.000 -0.000 -0.000 3/82308 240.0 17.510 17.510 3.868 0.000 -0.000 -0.000 3/82308 250.0 16.783 16.783 3.705 0.000 -0.000 -0.000 3/82308 260.0 16.117 16.117 3.557 0.000 -0.000 -0.000 3/82308 270.0 15.503 15.503 3.422 0.000 -0.000 -0.000 3/82308 280.0 14.935 14.935 3.298 0.000 -0.000 -0.000 3/82308 290.0 14.409 14.409 3.183 0.000 -0.000 -0.000 3/82308 300.0 13.919 13.919 3.076 0.000 -0.000 -0.000 3/82308 310.0 13.463 13.463 2.977 0.000 -0.000 -0.000 3/82308 320.0 13.036 13.036 2.885 0.000 -0.000 -0.000 3/82308 330.0 12.636 12.636 2.798 0.000 -0.000 -0.000 3/82308 340.0 12.260 12.260 2.717 0.000 -0.000 -0.000 3/82308 350.0 11.906 11.906 2.640 0.000 -0.000 -0.000 3/82308 360.0 11.573 11.573 2.568 0.000 -0.000 -0.000 3/82308 370.0 11.258 11.258 2.500 0.000 -0.000 -0.000 3/82308 380.0 10.960 10.960 2.436 0.000 -0.000 -0.000 3/82308 390.0 10.677 10.677 2.374 0.000 -0.000 -0.000 3/82308 400.0 10.409 10.409 2.316 0.000 -0.000 -0.000 3/82308 410.0 10.154 10.154 2.261 0.000 -0.000 -0.000 3/82308 420.0 9.912 9.912 2.209 0.000 -0.000 -0.000 3/82308 430.0 9.681 9.681 2.158 0.000 -0.000 -0.000 3/82308 440.0 9.460 9.460 2.111 0.000 -0.000 -0.000 3/82308 450.0 9.250 9.250 2.065 0.000 -0.000 -0.000 3/82308 460.0 9.049 9.049 2.021 0.000 -0.000 -0.000 3/82308 470.0 8.856 8.856 1.979 0.000 -0.000 -0.000 3/82308 480.0 8.672 8.672 1.939 0.000 -0.000 -0.000 3/82308 490.0 8.495 8.495 1.900 0.000 -0.000 -0.000 3/82308 500.0 8.325 8.325 1.863 0.000 -0.000 -0.000 3/82308 510.0 8.162 8.162 1.827 0.000 -0.000 -0.000 3/82308 520.0 8.005 8.005 1.793 0.000 -0.000 -0.000 3/82308 530.0 7.854 7.854 1.760 0.000 -0.000 -0.000 3/82308 540.0 7.709 7.709 1.728 0.000 -0.000 -0.000 3/82308 550.0 7.569 7.569 1.697 0.000 -0.000 -0.000 3/82308 560.0 7.434 7.434 1.668 0.000 -0.000 -0.000 3/82308 570.0 7.304 7.304 1.639 0.000 -0.000 -0.000 3/82308 580.0 7.178 7.178 1.611 0.000 -0.000 -0.000 3/82308 590.0 7.057 7.057 1.585 0.000 -0.000 -0.000 3/82308 600.0 6.940 6.940 1.559 0.000 -0.000 -0.000 3/82308 610.0 6.826 6.826 1.534 0.000 -0.000 -0.000 3/82308 620.0 6.716 6.716 1.510 0.000 -0.000 -0.000 3/82308 630.0 6.610 6.610 1.486 0.000 -0.000 -0.000 3/82308 640.0 6.507 6.507 1.463 0.000 -0.000 -0.000 3/82308 650.0 6.407 6.407 1.441 0.000 -0.000 -0.000 3/82308 660.0 6.310 6.310 1.420 0.000 -0.000 -0.000 3/82308 670.0 6.216 6.216 1.399 0.000 -0.000 -0.000 3/82308 680.0 6.125 6.125 1.379 0.000 -0.000 -0.000 3/82308 690.0 6.037 6.037 1.359 0.000 -0.000 -0.000 3/82308 700.0 5.951 5.951 1.340 0.000 -0.000 -0.000 3/82308 710.0 5.867 5.867 1.321 0.000 -0.000 -0.000 3/82308 720.0 5.786 5.786 1.303 0.000 -0.000 -0.000 3/82308 730.0 5.707 5.707 1.286 0.000 -0.000 -0.000 3/82308 740.0 5.630 5.630 1.269 0.000 -0.000 -0.000 3/82308 750.0 5.555 5.555 1.252 0.000 -0.000 -0.000 3/82308 760.0 5.482 5.482 1.236 0.000 -0.000 -0.000 3/82308 770.0 5.411 5.411 1.220 0.000 -0.000 -0.000 3/82308 780.0 5.342 5.342 1.205 0.000 -0.000 -0.000 3/82308 790.0 5.275 5.275 1.190 0.000 -0.000 -0.000 3/82308 800.0 5.209 5.209 1.175 0.000 -0.000 -0.000 3/82308 810.0 5.145 5.145 1.161 0.000 -0.000 -0.000 3/82308 820.0 5.082 5.082 1.147 0.000 -0.000 -0.000 3/82308 830.0 5.021 5.021 1.133 0.000 -0.000 -0.000 3/82308 840.0 4.962 4.962 1.120 0.000 -0.000 -0.000 3/82308 850.0 4.903 4.903 1.107 0.000 -0.000 -0.000 3/82308 860.0 4.846 4.846 1.094 0.000 -0.000 -0.000 3/82308 870.0 4.791 4.791 1.082 0.000 -0.000 -0.000 3/82308 880.0 4.737 4.737 1.070 0.000 -0.000 -0.000 3/82308 890.0 4.684 4.684 1.058 0.000 -0.000 -0.000 3/82308 900.0 4.632 4.632 1.046 0.000 -0.000 -0.000 3/82308 910.0 4.581 4.581 1.035 0.000 -0.000 -0.000 3/82308 920.0 4.531 4.531 1.024 0.000 -0.000 -0.000 3/82308 930.0 4.483 4.483 1.013 0.000 -0.000 -0.000 3/82308 940.0 4.435 4.435 1.002 0.000 -0.000 -0.000 3/82308 950.0 4.389 4.389 0.992 0.000 -0.000 -0.000 3/82308 960.0 4.343 4.343 0.981 0.000 -0.000 -0.000 3/82308 970.0 4.298 4.298 0.971 0.000 -0.000 -0.000 3/82308 980.0 4.255 4.255 0.962 0.000 -0.000 -0.000 3/82308 990.0 4.212 4.212 0.952 0.000 -0.000 -0.000 3/82308 1000.0 4.170 4.170 0.943 0.000 -0.000 -0.000 3/82308 Thermal conductivity related properties were written into "kappa-m191919.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:28:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|