----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:00:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.827247680049287 1.054961939952573 4.925538436666661 b -1.827247680049284 1.054961939952573 4.925538436666661 c 0.000000000000002 -2.109923879905149 4.925538436666661 Atomic positions (fractional): *1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 *2 N 0.41643630937243 0.41643630937243 0.41643630937243 14.007 3 N 0.58356369062757 0.58356369062757 0.58356369062757 14.007 *4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.654495360098571 0.000000000000000 0.000000000000000 b -1.827247680049286 3.164885819857723 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776615310000000 Atomic positions (fractional): *1 C 0.33333333333333 0.66666666666667 0.16666666666667 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 3 C 0.66666666666667 0.33333333333333 0.83333333333333 12.011 > 1 *4 N 0.33333333333333 0.66666666666667 0.08310297603910 14.007 > 2 5 N 0.33333333333333 0.66666666666667 0.25023035729424 14.007 > 3 6 N 0.00000000000000 0.00000000000000 0.41643630937243 14.007 > 2 7 N 0.00000000000000 0.00000000000000 0.58356369062757 14.007 > 3 8 N 0.66666666666667 0.33333333333333 0.74976964270576 14.007 > 2 9 N 0.66666666666667 0.33333333333333 0.91689702396090 14.007 > 3 *10 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 4 11 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 4 12 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.963486080295713 0.000000000000000 0.000000000000000 b -5.481743040147858 9.494657459573169 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776615310000000 Atomic positions (fractional): *1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 *28 N 0.11111111111111 0.22222222222222 0.08310297603910 14.007 > 2 29 N 0.44444444444444 0.22222222222222 0.08310297603910 14.007 > 2 30 N 0.77777777777778 0.22222222222222 0.08310297603910 14.007 > 2 31 N 0.11111111111111 0.55555555555556 0.08310297603910 14.007 > 2 32 N 0.44444444444444 0.55555555555556 0.08310297603910 14.007 > 2 33 N 0.77777777777778 0.55555555555556 0.08310297603910 14.007 > 2 34 N 0.11111111111111 0.88888888888889 0.08310297603910 14.007 > 2 35 N 0.44444444444444 0.88888888888889 0.08310297603910 14.007 > 2 36 N 0.77777777777778 0.88888888888889 0.08310297603910 14.007 > 2 37 N 0.11111111111111 0.22222222222222 0.25023035729424 14.007 > 3 38 N 0.44444444444444 0.22222222222222 0.25023035729424 14.007 > 3 39 N 0.77777777777778 0.22222222222222 0.25023035729424 14.007 > 3 40 N 0.11111111111111 0.55555555555556 0.25023035729424 14.007 > 3 41 N 0.44444444444444 0.55555555555556 0.25023035729424 14.007 > 3 42 N 0.77777777777778 0.55555555555556 0.25023035729424 14.007 > 3 43 N 0.11111111111111 0.88888888888889 0.25023035729424 14.007 > 3 44 N 0.44444444444444 0.88888888888889 0.25023035729424 14.007 > 3 45 N 0.77777777777778 0.88888888888889 0.25023035729424 14.007 > 3 46 N 0.00000000000000 0.00000000000000 0.41643630937243 14.007 > 2 47 N 0.33333333333333 0.00000000000000 0.41643630937243 14.007 > 2 48 N 0.66666666666667 0.00000000000000 0.41643630937243 14.007 > 2 49 N 0.00000000000000 0.33333333333333 0.41643630937243 14.007 > 2 50 N 0.33333333333333 0.33333333333333 0.41643630937243 14.007 > 2 51 N 0.66666666666667 0.33333333333333 0.41643630937243 14.007 > 2 52 N 0.00000000000000 0.66666666666667 0.41643630937243 14.007 > 2 53 N 0.33333333333333 0.66666666666667 0.41643630937243 14.007 > 2 54 N 0.66666666666667 0.66666666666667 0.41643630937243 14.007 > 2 55 N 0.00000000000000 0.00000000000000 0.58356369062757 14.007 > 3 56 N 0.33333333333333 0.00000000000000 0.58356369062757 14.007 > 3 57 N 0.66666666666667 0.00000000000000 0.58356369062757 14.007 > 3 58 N 0.00000000000000 0.33333333333333 0.58356369062757 14.007 > 3 59 N 0.33333333333333 0.33333333333333 0.58356369062757 14.007 > 3 60 N 0.66666666666667 0.33333333333333 0.58356369062757 14.007 > 3 61 N 0.00000000000000 0.66666666666667 0.58356369062757 14.007 > 3 62 N 0.33333333333333 0.66666666666667 0.58356369062757 14.007 > 3 63 N 0.66666666666667 0.66666666666667 0.58356369062757 14.007 > 3 64 N 0.22222222222222 0.11111111111111 0.74976964270576 14.007 > 2 65 N 0.55555555555556 0.11111111111111 0.74976964270576 14.007 > 2 66 N 0.88888888888889 0.11111111111111 0.74976964270576 14.007 > 2 67 N 0.22222222222222 0.44444444444444 0.74976964270576 14.007 > 2 68 N 0.55555555555556 0.44444444444444 0.74976964270576 14.007 > 2 69 N 0.88888888888889 0.44444444444444 0.74976964270576 14.007 > 2 70 N 0.22222222222222 0.77777777777778 0.74976964270576 14.007 > 2 71 N 0.55555555555556 0.77777777777778 0.74976964270576 14.007 > 2 72 N 0.88888888888889 0.77777777777778 0.74976964270576 14.007 > 2 73 N 0.22222222222222 0.11111111111111 0.91689702396090 14.007 > 3 74 N 0.55555555555556 0.11111111111111 0.91689702396090 14.007 > 3 75 N 0.88888888888889 0.11111111111111 0.91689702396090 14.007 > 3 76 N 0.22222222222222 0.44444444444444 0.91689702396090 14.007 > 3 77 N 0.55555555555556 0.44444444444444 0.91689702396090 14.007 > 3 78 N 0.88888888888889 0.44444444444444 0.91689702396090 14.007 > 3 79 N 0.22222222222222 0.77777777777778 0.91689702396090 14.007 > 3 80 N 0.55555555555556 0.77777777777778 0.91689702396090 14.007 > 3 81 N 0.88888888888889 0.77777777777778 0.91689702396090 14.007 > 3 *82 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 4 83 Ca 0.33333333333333 0.00000000000000 0.00000000000000 40.078 > 4 84 Ca 0.66666666666667 0.00000000000000 0.00000000000000 40.078 > 4 85 Ca 0.00000000000000 0.33333333333333 0.00000000000000 40.078 > 4 86 Ca 0.33333333333333 0.33333333333333 0.00000000000000 40.078 > 4 87 Ca 0.66666666666667 0.33333333333333 0.00000000000000 40.078 > 4 88 Ca 0.00000000000000 0.66666666666667 0.00000000000000 40.078 > 4 89 Ca 0.33333333333333 0.66666666666667 0.00000000000000 40.078 > 4 90 Ca 0.66666666666667 0.66666666666667 0.00000000000000 40.078 > 4 91 Ca 0.22222222222222 0.11111111111111 0.33333333333333 40.078 > 4 92 Ca 0.55555555555556 0.11111111111111 0.33333333333333 40.078 > 4 93 Ca 0.88888888888889 0.11111111111111 0.33333333333333 40.078 > 4 94 Ca 0.22222222222222 0.44444444444444 0.33333333333333 40.078 > 4 95 Ca 0.55555555555556 0.44444444444444 0.33333333333333 40.078 > 4 96 Ca 0.88888888888889 0.44444444444444 0.33333333333333 40.078 > 4 97 Ca 0.22222222222222 0.77777777777778 0.33333333333333 40.078 > 4 98 Ca 0.55555555555556 0.77777777777778 0.33333333333333 40.078 > 4 99 Ca 0.88888888888889 0.77777777777778 0.33333333333333 40.078 > 4 100 Ca 0.11111111111111 0.22222222222222 0.66666666666667 40.078 > 4 101 Ca 0.44444444444444 0.22222222222222 0.66666666666667 40.078 > 4 102 Ca 0.77777777777778 0.22222222222222 0.66666666666667 40.078 > 4 103 Ca 0.11111111111111 0.55555555555556 0.66666666666667 40.078 > 4 104 Ca 0.44444444444444 0.55555555555556 0.66666666666667 40.078 > 4 105 Ca 0.77777777777778 0.55555555555556 0.66666666666667 40.078 > 4 106 Ca 0.11111111111111 0.88888888888889 0.66666666666667 40.078 > 4 107 Ca 0.44444444444444 0.88888888888889 0.66666666666667 40.078 > 4 108 Ca 0.77777777777778 0.88888888888889 0.66666666666667 40.078 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8035033 -0.0000000 0.0000000 0.0000000 2.8035033 0.0000000 0.0000000 0.0000000 4.7816939 -------------------------- Born effective charges -------------------------- 1 C -0.1035652 0.0000000 0.0000000 0.0000000 -0.1035652 0.0000000 0.0000000 0.0000000 4.5066631 2 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 3 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 4 Ca 2.3929995 -0.0000000 0.0000000 0.0000000 2.3929995 0.0000000 0.0000000 0.0000000 2.8714144 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 80 / 80 - Time: 0.186 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.255 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:00:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:54]------------------------- 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 1.827247680049287 1.054961939952573 4.925538436666661 b -1.827247680049284 1.054961939952573 4.925538436666661 c 0.000000000000002 -2.109923879905149 4.925538436666661 Atomic positions (fractional): 1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 2 N 0.41643630937243 0.41643630937243 0.41643630937243 14.007 3 N 0.58356369062757 0.58356369062757 0.58356369062757 14.007 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.963486080295713 0.000000000000000 0.000000000000000 b -5.481743040147858 9.494657459573169 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776615310000000 Atomic positions (fractional): 1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 28 N 0.11111111111111 0.22222222222222 0.08310297603910 14.007 > 28 29 N 0.44444444444444 0.22222222222222 0.08310297603910 14.007 > 28 30 N 0.77777777777778 0.22222222222222 0.08310297603910 14.007 > 28 31 N 0.11111111111111 0.55555555555556 0.08310297603910 14.007 > 28 32 N 0.44444444444444 0.55555555555556 0.08310297603910 14.007 > 28 33 N 0.77777777777778 0.55555555555556 0.08310297603910 14.007 > 28 34 N 0.11111111111111 0.88888888888889 0.08310297603910 14.007 > 28 35 N 0.44444444444444 0.88888888888889 0.08310297603910 14.007 > 28 36 N 0.77777777777778 0.88888888888889 0.08310297603910 14.007 > 28 37 N 0.11111111111111 0.22222222222222 0.25023035729424 14.007 > 37 38 N 0.44444444444444 0.22222222222222 0.25023035729424 14.007 > 37 39 N 0.77777777777778 0.22222222222222 0.25023035729424 14.007 > 37 40 N 0.11111111111111 0.55555555555556 0.25023035729424 14.007 > 37 41 N 0.44444444444444 0.55555555555556 0.25023035729424 14.007 > 37 42 N 0.77777777777778 0.55555555555556 0.25023035729424 14.007 > 37 43 N 0.11111111111111 0.88888888888889 0.25023035729424 14.007 > 37 44 N 0.44444444444444 0.88888888888889 0.25023035729424 14.007 > 37 45 N 0.77777777777778 0.88888888888889 0.25023035729424 14.007 > 37 46 N 0.00000000000000 0.00000000000000 0.41643630937243 14.007 > 28 47 N 0.33333333333333 0.00000000000000 0.41643630937243 14.007 > 28 48 N 0.66666666666667 0.00000000000000 0.41643630937243 14.007 > 28 49 N 0.00000000000000 0.33333333333333 0.41643630937243 14.007 > 28 50 N 0.33333333333333 0.33333333333333 0.41643630937243 14.007 > 28 51 N 0.66666666666667 0.33333333333333 0.41643630937243 14.007 > 28 52 N 0.00000000000000 0.66666666666667 0.41643630937243 14.007 > 28 53 N 0.33333333333333 0.66666666666667 0.41643630937243 14.007 > 28 54 N 0.66666666666667 0.66666666666667 0.41643630937243 14.007 > 28 55 N 0.00000000000000 0.00000000000000 0.58356369062757 14.007 > 37 56 N 0.33333333333333 0.00000000000000 0.58356369062757 14.007 > 37 57 N 0.66666666666667 0.00000000000000 0.58356369062757 14.007 > 37 58 N 0.00000000000000 0.33333333333333 0.58356369062757 14.007 > 37 59 N 0.33333333333333 0.33333333333333 0.58356369062757 14.007 > 37 60 N 0.66666666666667 0.33333333333333 0.58356369062757 14.007 > 37 61 N 0.00000000000000 0.66666666666667 0.58356369062757 14.007 > 37 62 N 0.33333333333333 0.66666666666667 0.58356369062757 14.007 > 37 63 N 0.66666666666667 0.66666666666667 0.58356369062757 14.007 > 37 64 N 0.22222222222222 0.11111111111111 0.74976964270576 14.007 > 28 65 N 0.55555555555556 0.11111111111111 0.74976964270576 14.007 > 28 66 N 0.88888888888889 0.11111111111111 0.74976964270576 14.007 > 28 67 N 0.22222222222222 0.44444444444444 0.74976964270576 14.007 > 28 68 N 0.55555555555556 0.44444444444444 0.74976964270576 14.007 > 28 69 N 0.88888888888889 0.44444444444444 0.74976964270576 14.007 > 28 70 N 0.22222222222222 0.77777777777778 0.74976964270576 14.007 > 28 71 N 0.55555555555556 0.77777777777778 0.74976964270576 14.007 > 28 72 N 0.88888888888889 0.77777777777778 0.74976964270576 14.007 > 28 73 N 0.22222222222222 0.11111111111111 0.91689702396090 14.007 > 37 74 N 0.55555555555556 0.11111111111111 0.91689702396090 14.007 > 37 75 N 0.88888888888889 0.11111111111111 0.91689702396090 14.007 > 37 76 N 0.22222222222222 0.44444444444444 0.91689702396090 14.007 > 37 77 N 0.55555555555556 0.44444444444444 0.91689702396090 14.007 > 37 78 N 0.88888888888889 0.44444444444444 0.91689702396090 14.007 > 37 79 N 0.22222222222222 0.77777777777778 0.91689702396090 14.007 > 37 80 N 0.55555555555556 0.77777777777778 0.91689702396090 14.007 > 37 81 N 0.88888888888889 0.77777777777778 0.91689702396090 14.007 > 37 82 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 82 83 Ca 0.33333333333333 0.00000000000000 0.00000000000000 40.078 > 82 84 Ca 0.66666666666667 0.00000000000000 0.00000000000000 40.078 > 82 85 Ca 0.00000000000000 0.33333333333333 0.00000000000000 40.078 > 82 86 Ca 0.33333333333333 0.33333333333333 0.00000000000000 40.078 > 82 87 Ca 0.66666666666667 0.33333333333333 0.00000000000000 40.078 > 82 88 Ca 0.00000000000000 0.66666666666667 0.00000000000000 40.078 > 82 89 Ca 0.33333333333333 0.66666666666667 0.00000000000000 40.078 > 82 90 Ca 0.66666666666667 0.66666666666667 0.00000000000000 40.078 > 82 91 Ca 0.22222222222222 0.11111111111111 0.33333333333333 40.078 > 82 92 Ca 0.55555555555556 0.11111111111111 0.33333333333333 40.078 > 82 93 Ca 0.88888888888889 0.11111111111111 0.33333333333333 40.078 > 82 94 Ca 0.22222222222222 0.44444444444444 0.33333333333333 40.078 > 82 95 Ca 0.55555555555556 0.44444444444444 0.33333333333333 40.078 > 82 96 Ca 0.88888888888889 0.44444444444444 0.33333333333333 40.078 > 82 97 Ca 0.22222222222222 0.77777777777778 0.33333333333333 40.078 > 82 98 Ca 0.55555555555556 0.77777777777778 0.33333333333333 40.078 > 82 99 Ca 0.88888888888889 0.77777777777778 0.33333333333333 40.078 > 82 100 Ca 0.11111111111111 0.22222222222222 0.66666666666667 40.078 > 82 101 Ca 0.44444444444444 0.22222222222222 0.66666666666667 40.078 > 82 102 Ca 0.77777777777778 0.22222222222222 0.66666666666667 40.078 > 82 103 Ca 0.11111111111111 0.55555555555556 0.66666666666667 40.078 > 82 104 Ca 0.44444444444444 0.55555555555556 0.66666666666667 40.078 > 82 105 Ca 0.77777777777778 0.55555555555556 0.66666666666667 40.078 > 82 106 Ca 0.11111111111111 0.88888888888889 0.66666666666667 40.078 > 82 107 Ca 0.44444444444444 0.88888888888889 0.66666666666667 40.078 > 82 108 Ca 0.77777777777778 0.88888888888889 0.66666666666667 40.078 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8035033 -0.0000000 0.0000000 0.0000000 2.8035033 0.0000000 0.0000000 0.0000000 4.7816939 -------------------------- Born effective charges -------------------------- 1 C -0.1035652 0.0000000 0.0000000 0.0000000 -0.1035652 0.0000000 0.0000000 0.0000000 4.5066631 2 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 3 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 4 Ca 2.3929995 -0.0000000 0.0000000 0.0000000 2.3929995 0.0000000 0.0000000 0.0000000 2.8714144 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:00:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:00:59]------------------------- 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 1.827247680049287 1.054961939952573 4.925538436666661 b -1.827247680049284 1.054961939952573 4.925538436666661 c 0.000000000000002 -2.109923879905149 4.925538436666661 Atomic positions (fractional): 1 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 2 N 0.41643630937243 0.41643630937243 0.41643630937243 14.007 3 N 0.58356369062757 0.58356369062757 0.58356369062757 14.007 4 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.963486080295713 0.000000000000000 0.000000000000000 b -5.481743040147858 9.494657459573169 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776615310000000 Atomic positions (fractional): 1 C 0.11111111111111 0.22222222222222 0.16666666666667 12.011 > 1 2 C 0.44444444444444 0.22222222222222 0.16666666666667 12.011 > 1 3 C 0.77777777777778 0.22222222222222 0.16666666666667 12.011 > 1 4 C 0.11111111111111 0.55555555555556 0.16666666666667 12.011 > 1 5 C 0.44444444444444 0.55555555555556 0.16666666666667 12.011 > 1 6 C 0.77777777777778 0.55555555555556 0.16666666666667 12.011 > 1 7 C 0.11111111111111 0.88888888888889 0.16666666666667 12.011 > 1 8 C 0.44444444444444 0.88888888888889 0.16666666666667 12.011 > 1 9 C 0.77777777777778 0.88888888888889 0.16666666666667 12.011 > 1 10 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 1 11 C 0.33333333333333 0.00000000000000 0.50000000000000 12.011 > 1 12 C 0.66666666666667 0.00000000000000 0.50000000000000 12.011 > 1 13 C 0.00000000000000 0.33333333333333 0.50000000000000 12.011 > 1 14 C 0.33333333333333 0.33333333333333 0.50000000000000 12.011 > 1 15 C 0.66666666666667 0.33333333333333 0.50000000000000 12.011 > 1 16 C 0.00000000000000 0.66666666666667 0.50000000000000 12.011 > 1 17 C 0.33333333333333 0.66666666666667 0.50000000000000 12.011 > 1 18 C 0.66666666666667 0.66666666666667 0.50000000000000 12.011 > 1 19 C 0.22222222222222 0.11111111111111 0.83333333333333 12.011 > 1 20 C 0.55555555555556 0.11111111111111 0.83333333333333 12.011 > 1 21 C 0.88888888888889 0.11111111111111 0.83333333333333 12.011 > 1 22 C 0.22222222222222 0.44444444444444 0.83333333333333 12.011 > 1 23 C 0.55555555555556 0.44444444444444 0.83333333333333 12.011 > 1 24 C 0.88888888888889 0.44444444444444 0.83333333333333 12.011 > 1 25 C 0.22222222222222 0.77777777777778 0.83333333333333 12.011 > 1 26 C 0.55555555555556 0.77777777777778 0.83333333333333 12.011 > 1 27 C 0.88888888888889 0.77777777777778 0.83333333333333 12.011 > 1 28 N 0.11111111111111 0.22222222222222 0.08310297603910 14.007 > 28 29 N 0.44444444444444 0.22222222222222 0.08310297603910 14.007 > 28 30 N 0.77777777777778 0.22222222222222 0.08310297603910 14.007 > 28 31 N 0.11111111111111 0.55555555555556 0.08310297603910 14.007 > 28 32 N 0.44444444444444 0.55555555555556 0.08310297603910 14.007 > 28 33 N 0.77777777777778 0.55555555555556 0.08310297603910 14.007 > 28 34 N 0.11111111111111 0.88888888888889 0.08310297603910 14.007 > 28 35 N 0.44444444444444 0.88888888888889 0.08310297603910 14.007 > 28 36 N 0.77777777777778 0.88888888888889 0.08310297603910 14.007 > 28 37 N 0.11111111111111 0.22222222222222 0.25023035729424 14.007 > 37 38 N 0.44444444444444 0.22222222222222 0.25023035729424 14.007 > 37 39 N 0.77777777777778 0.22222222222222 0.25023035729424 14.007 > 37 40 N 0.11111111111111 0.55555555555556 0.25023035729424 14.007 > 37 41 N 0.44444444444444 0.55555555555556 0.25023035729424 14.007 > 37 42 N 0.77777777777778 0.55555555555556 0.25023035729424 14.007 > 37 43 N 0.11111111111111 0.88888888888889 0.25023035729424 14.007 > 37 44 N 0.44444444444444 0.88888888888889 0.25023035729424 14.007 > 37 45 N 0.77777777777778 0.88888888888889 0.25023035729424 14.007 > 37 46 N 0.00000000000000 0.00000000000000 0.41643630937243 14.007 > 28 47 N 0.33333333333333 0.00000000000000 0.41643630937243 14.007 > 28 48 N 0.66666666666667 0.00000000000000 0.41643630937243 14.007 > 28 49 N 0.00000000000000 0.33333333333333 0.41643630937243 14.007 > 28 50 N 0.33333333333333 0.33333333333333 0.41643630937243 14.007 > 28 51 N 0.66666666666667 0.33333333333333 0.41643630937243 14.007 > 28 52 N 0.00000000000000 0.66666666666667 0.41643630937243 14.007 > 28 53 N 0.33333333333333 0.66666666666667 0.41643630937243 14.007 > 28 54 N 0.66666666666667 0.66666666666667 0.41643630937243 14.007 > 28 55 N 0.00000000000000 0.00000000000000 0.58356369062757 14.007 > 37 56 N 0.33333333333333 0.00000000000000 0.58356369062757 14.007 > 37 57 N 0.66666666666667 0.00000000000000 0.58356369062757 14.007 > 37 58 N 0.00000000000000 0.33333333333333 0.58356369062757 14.007 > 37 59 N 0.33333333333333 0.33333333333333 0.58356369062757 14.007 > 37 60 N 0.66666666666667 0.33333333333333 0.58356369062757 14.007 > 37 61 N 0.00000000000000 0.66666666666667 0.58356369062757 14.007 > 37 62 N 0.33333333333333 0.66666666666667 0.58356369062757 14.007 > 37 63 N 0.66666666666667 0.66666666666667 0.58356369062757 14.007 > 37 64 N 0.22222222222222 0.11111111111111 0.74976964270576 14.007 > 28 65 N 0.55555555555556 0.11111111111111 0.74976964270576 14.007 > 28 66 N 0.88888888888889 0.11111111111111 0.74976964270576 14.007 > 28 67 N 0.22222222222222 0.44444444444444 0.74976964270576 14.007 > 28 68 N 0.55555555555556 0.44444444444444 0.74976964270576 14.007 > 28 69 N 0.88888888888889 0.44444444444444 0.74976964270576 14.007 > 28 70 N 0.22222222222222 0.77777777777778 0.74976964270576 14.007 > 28 71 N 0.55555555555556 0.77777777777778 0.74976964270576 14.007 > 28 72 N 0.88888888888889 0.77777777777778 0.74976964270576 14.007 > 28 73 N 0.22222222222222 0.11111111111111 0.91689702396090 14.007 > 37 74 N 0.55555555555556 0.11111111111111 0.91689702396090 14.007 > 37 75 N 0.88888888888889 0.11111111111111 0.91689702396090 14.007 > 37 76 N 0.22222222222222 0.44444444444444 0.91689702396090 14.007 > 37 77 N 0.55555555555556 0.44444444444444 0.91689702396090 14.007 > 37 78 N 0.88888888888889 0.44444444444444 0.91689702396090 14.007 > 37 79 N 0.22222222222222 0.77777777777778 0.91689702396090 14.007 > 37 80 N 0.55555555555556 0.77777777777778 0.91689702396090 14.007 > 37 81 N 0.88888888888889 0.77777777777778 0.91689702396090 14.007 > 37 82 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 82 83 Ca 0.33333333333333 0.00000000000000 0.00000000000000 40.078 > 82 84 Ca 0.66666666666667 0.00000000000000 0.00000000000000 40.078 > 82 85 Ca 0.00000000000000 0.33333333333333 0.00000000000000 40.078 > 82 86 Ca 0.33333333333333 0.33333333333333 0.00000000000000 40.078 > 82 87 Ca 0.66666666666667 0.33333333333333 0.00000000000000 40.078 > 82 88 Ca 0.00000000000000 0.66666666666667 0.00000000000000 40.078 > 82 89 Ca 0.33333333333333 0.66666666666667 0.00000000000000 40.078 > 82 90 Ca 0.66666666666667 0.66666666666667 0.00000000000000 40.078 > 82 91 Ca 0.22222222222222 0.11111111111111 0.33333333333333 40.078 > 82 92 Ca 0.55555555555556 0.11111111111111 0.33333333333333 40.078 > 82 93 Ca 0.88888888888889 0.11111111111111 0.33333333333333 40.078 > 82 94 Ca 0.22222222222222 0.44444444444444 0.33333333333333 40.078 > 82 95 Ca 0.55555555555556 0.44444444444444 0.33333333333333 40.078 > 82 96 Ca 0.88888888888889 0.44444444444444 0.33333333333333 40.078 > 82 97 Ca 0.22222222222222 0.77777777777778 0.33333333333333 40.078 > 82 98 Ca 0.55555555555556 0.77777777777778 0.33333333333333 40.078 > 82 99 Ca 0.88888888888889 0.77777777777778 0.33333333333333 40.078 > 82 100 Ca 0.11111111111111 0.22222222222222 0.66666666666667 40.078 > 82 101 Ca 0.44444444444444 0.22222222222222 0.66666666666667 40.078 > 82 102 Ca 0.77777777777778 0.22222222222222 0.66666666666667 40.078 > 82 103 Ca 0.11111111111111 0.55555555555556 0.66666666666667 40.078 > 82 104 Ca 0.44444444444444 0.55555555555556 0.66666666666667 40.078 > 82 105 Ca 0.77777777777778 0.55555555555556 0.66666666666667 40.078 > 82 106 Ca 0.11111111111111 0.88888888888889 0.66666666666667 40.078 > 82 107 Ca 0.44444444444444 0.88888888888889 0.66666666666667 40.078 > 82 108 Ca 0.77777777777778 0.88888888888889 0.66666666666667 40.078 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8035033 -0.0000000 0.0000000 0.0000000 2.8035033 0.0000000 0.0000000 0.0000000 4.7816939 -------------------------- Born effective charges -------------------------- 1 C -0.1035652 0.0000000 0.0000000 0.0000000 -0.1035652 0.0000000 0.0000000 0.0000000 4.5066631 2 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 3 N -1.1447172 0.0000000 0.0000000 0.0000000 -1.1447172 0.0000000 0.0000000 0.0000000 -3.6890387 4 Ca 2.3929995 -0.0000000 0.0000000 0.0000000 2.3929995 0.0000000 0.0000000 0.0000000 2.8714144 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 16 16 16 ] 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: 1.08, Number of G-points: 287, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 417 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 7.483 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 19.206 ( 0.000 0.000 0.000) 0.000 19.206 ( 0.000 0.000 0.000) 0.000 39.131 ( 0.000 0.000 0.000) 0.000 62.314 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 14.886 8.594 36.235) 40.105 0.685 ( 28.754 16.601 7.649) 34.071 1.306 ( 54.289 31.344 14.166) 64.268 7.353 ( -5.345 -3.086 -10.882) 12.511 7.552 ( 5.896 3.404 -0.024) 6.808 7.724 ( 5.436 3.138 8.343) 10.440 8.262 ( 1.588 0.917 -24.838) 24.906 11.365 ( -5.553 -3.206 18.050) 19.156 19.210 ( 0.342 0.198 -0.037) 0.397 19.696 ( 3.426 1.978 -18.554) 18.971 39.123 ( -0.314 -0.181 -2.032) 2.064 62.606 ( -28.928 -16.701 141.892) 145.770 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 20.623 11.907 37.753) 44.636 1.378 ( 29.121 16.813 7.958) 34.555 2.588 ( 53.145 30.683 11.709) 62.474 7.186 ( -4.933 -2.848 -12.167) 13.435 7.736 ( 9.792 5.653 0.231) 11.309 7.877 ( 4.903 2.831 7.433) 9.343 8.159 ( -4.678 -2.701 -6.777) 8.666 11.288 ( -5.241 -3.026 3.251) 6.870 19.221 ( 0.667 0.385 -0.035) 0.771 19.697 ( 1.745 1.007 -8.786) 9.014 39.102 ( -0.416 -0.240 -3.456) 3.489 62.520 ( -18.184 -10.499 71.958) 74.959 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 25.004 14.436 38.446) 48.080 2.076 ( 29.018 16.753 8.191) 34.493 3.819 ( 50.939 29.409 8.367) 59.411 7.027 ( -4.387 -2.533 -12.733) 13.704 7.930 ( -1.893 -1.093 4.471) 4.977 8.007 ( 3.872 2.236 6.423) 7.826 8.045 ( 4.462 2.576 -3.546) 6.255 11.151 ( -6.827 -3.942 -3.310) 8.550 19.240 ( 0.937 0.541 0.018) 1.082 19.703 ( 1.369 0.790 -5.115) 5.354 39.078 ( -0.245 -0.141 -3.968) 3.978 62.391 ( -15.241 -8.799 47.991) 51.116 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 26.774 15.458 37.000) 48.216 2.761 ( 27.752 16.023 8.127) 33.060 4.967 ( 46.825 27.034 4.798) 54.281 6.876 ( -4.154 -2.398 -12.671) 13.548 7.731 ( -12.336 -7.122 7.183) 15.954 8.108 ( 2.754 1.590 5.554) 6.400 8.282 ( 12.210 7.049 -2.863) 14.386 10.946 ( -9.438 -5.449 -6.434) 12.656 19.263 ( 1.095 0.632 0.097) 1.268 19.717 ( 1.324 0.764 -2.946) 3.319 39.060 ( 0.088 0.051 -3.653) 3.654 62.238 ( -13.282 -7.668 34.595) 37.842 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 26.210 15.133 32.895) 44.700 3.397 ( 24.750 14.289 7.617) 29.576 5.953 ( 36.750 21.218 0.373) 42.437 6.728 ( -4.295 -2.480 -11.787) 12.788 7.496 ( -9.747 -5.627 11.300) 15.949 8.181 ( 1.772 1.023 4.674) 5.102 8.536 ( 11.373 6.566 -5.696) 14.315 10.664 ( -12.868 -7.429 -6.511) 16.222 19.289 ( 1.084 0.626 0.156) 1.262 19.737 ( 1.275 0.736 -1.510) 2.109 39.051 ( 0.383 0.221 -2.838) 2.872 62.086 ( -10.916 -6.302 24.727) 27.755 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 23.496 13.566 26.155) 37.686 3.936 ( 19.476 11.245 6.424) 23.389 6.458 ( 4.924 2.843 -5.797) 8.120 6.583 ( -4.350 -2.511 -9.708) 10.931 7.570 ( 14.323 8.269 18.273) 24.646 8.229 ( 1.012 0.585 3.518) 3.707 8.743 ( 9.982 5.763 -12.325) 16.875 10.306 ( -16.582 -9.574 -3.396) 19.446 19.312 ( 0.876 0.506 0.160) 1.024 19.760 ( 1.045 0.604 -0.630) 1.362 39.052 ( 0.478 0.276 -1.854) 1.935 61.957 ( -7.824 -4.517 16.146) 18.502 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 11.232 6.485 3.996) 13.572 4.466 ( 16.758 9.675 16.182) 25.225 6.314 ( -9.498 -5.483 -5.090) 12.091 6.460 ( -3.187 -1.840 -5.830) 6.894 8.118 ( 20.465 11.815 20.589) 31.342 8.257 ( 0.450 0.260 1.926) 1.995 8.881 ( 8.465 4.887 -22.250) 24.303 9.901 ( -17.639 -10.184 2.453) 20.514 19.329 ( 0.490 0.283 0.101) 0.575 19.777 ( 0.594 0.343 -0.189) 0.712 39.055 ( 0.323 0.187 -0.897) 0.972 61.871 ( -4.093 -2.363 8.010) 9.300 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 -0.000) 0.000 6.164 ( 0.000 0.000 -0.000) 0.000 6.407 ( 0.000 0.000 -0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.450 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 -0.000) 0.000 9.653 ( 0.000 0.000 0.000) 0.000 19.335 ( 0.000 0.000 -0.000) 0.000 19.784 ( 0.000 0.000 -0.000) 0.000 39.057 ( 0.000 0.000 -0.000) 0.000 61.841 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 12.087 38.132) 40.002 0.610 ( 0.000 33.140 -3.787) 33.355 1.500 ( 0.000 57.454 41.994) 71.165 7.469 ( 0.000 -3.084 5.224) 6.066 7.500 ( -0.000 6.009 -9.700) 11.410 7.631 ( -0.000 4.427 -4.191) 6.096 8.231 ( -0.000 16.095 -19.561) 25.331 11.402 ( 0.000 -16.751 16.149) 23.268 19.212 ( 0.000 0.461 0.285) 0.542 19.596 ( -0.000 10.093 -24.537) 26.532 39.112 ( -0.000 -0.772 -2.654) 2.764 63.339 ( 0.000 -83.454 188.533) 206.178 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 14.853 11.685 39.961) 44.204 1.190 ( 24.659 28.383 1.147) 37.616 2.429 ( 22.566 52.125 33.276) 65.830 7.320 ( -13.472 6.983 -11.158) 18.835 7.546 ( 9.146 -3.268 4.074) 10.533 7.812 ( 8.665 2.884 -2.062) 9.363 8.283 ( -4.353 9.818 -0.930) 10.780 11.276 ( -0.975 -12.235 0.078) 12.274 19.220 ( 0.191 0.730 0.228) 0.788 19.624 ( 2.990 4.028 -13.854) 14.734 39.086 ( -0.246 -0.832 -4.121) 4.212 63.071 ( -22.287 -39.043 107.666) 116.675 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 22.181 11.379 39.777) 46.943 1.923 ( 25.136 29.302 6.313) 39.119 3.507 ( 32.734 44.207 22.948) 59.602 7.124 ( -11.202 5.824 -11.818) 17.293 7.715 ( 12.653 -6.246 4.375) 14.773 7.923 ( 2.988 0.039 0.948) 3.135 8.293 ( -6.783 11.971 4.481) 14.471 11.125 ( -1.506 -10.901 -8.197) 13.722 19.235 ( 0.509 0.969 0.172) 1.108 19.652 ( 2.486 1.745 -8.163) 8.709 39.056 ( 0.008 -0.679 -4.919) 4.965 62.790 ( -18.723 -22.542 67.448) 73.538 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 26.296 10.370 36.689) 46.315 2.665 ( 22.179 31.443 10.040) 39.766 4.585 ( 36.726 36.628 14.486) 53.854 6.951 ( -9.368 4.833 -11.620) 15.689 7.780 ( -0.038 -12.786 8.669) 15.448 8.001 ( 7.100 1.014 3.183) 7.846 8.351 ( -2.977 14.594 0.192) 14.896 10.935 ( -3.330 -11.189 -11.315) 16.257 19.258 ( 0.731 1.175 0.177) 1.395 19.677 ( 2.216 0.948 -4.927) 5.485 39.034 ( 0.489 -0.452 -4.709) 4.756 62.545 ( -15.643 -16.529 45.947) 51.274 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 27.643 8.850 30.973) 42.447 3.372 ( 17.931 31.927 11.901) 38.503 5.576 ( 35.044 27.483 7.241) 45.120 6.802 ( -8.096 5.000 -10.332) 14.047 7.618 ( -7.629 -10.934 12.196) 18.069 8.151 ( 6.377 0.725 3.680) 7.398 8.468 ( 2.458 11.442 -5.452) 12.910 10.692 ( -6.149 -12.318 -10.513) 17.322 19.284 ( 0.776 1.321 0.192) 1.544 19.705 ( 2.092 0.535 -2.849) 3.575 39.025 ( 0.939 -0.252 -3.793) 3.916 62.317 ( -12.919 -13.237 31.730) 36.728 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( 26.252 7.568 23.693) 36.163 3.991 ( 12.690 29.345 11.092) 33.841 6.258 ( 17.198 6.760 -1.194) 18.517 6.707 ( -6.571 9.565 -7.490) 13.812 7.533 ( 3.536 -0.555 16.431) 16.817 8.253 ( 1.793 2.995 3.325) 4.821 8.596 ( 6.224 5.881 -11.704) 14.502 10.391 ( -9.650 -14.039 -6.480) 18.227 19.310 ( 0.602 1.364 0.171) 1.501 19.734 ( 1.886 0.166 -1.528) 2.433 39.028 ( 1.164 -0.170 -2.596) 2.850 62.114 ( -9.861 -10.562 20.696) 25.241 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 20.938 7.369 15.516) 27.082 4.450 ( 6.306 21.307 6.718) 23.214 6.318 ( -1.836 -6.555 -1.319) 6.934 6.606 ( -11.359 5.868 -6.537) 14.360 7.952 ( 22.813 13.272 19.118) 32.589 8.305 ( -1.303 4.694 2.099) 5.304 8.682 ( 7.165 1.699 -19.945) 21.261 10.034 ( -12.669 -15.891 -0.544) 20.330 19.331 ( 0.224 1.277 0.098) 1.300 19.758 ( 1.490 -0.241 -0.790) 1.704 39.037 ( 1.099 -0.241 -1.449) 1.834 61.951 ( -6.294 -7.916 11.309) 15.171 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 6.444 11.229 5.911) 14.232 4.637 ( -0.441 2.154 -1.838) 2.865 6.203 ( -4.306 -2.147 2.561) 5.450 6.483 ( -5.523 5.990 -1.755) 8.335 8.321 ( -2.922 5.003 0.466) 5.813 8.431 ( 5.047 3.767 2.809) 6.895 8.792 ( 16.451 5.163 -7.439) 18.778 9.673 ( -9.711 -15.272 2.184) 18.229 19.343 ( -0.284 1.060 -0.012) 1.097 19.772 ( 0.934 -0.651 -0.454) 1.225 39.047 ( 0.816 -0.426 -0.501) 1.048 61.842 ( -2.362 -5.225 3.001) 6.472 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.438 ( -12.496 -10.833 -12.397) 20.669 4.629 ( -11.223 8.766 -3.110) 14.577 6.218 ( 5.139 0.886 5.170) 7.344 6.538 ( 0.328 10.715 6.878) 12.737 8.232 ( -13.926 -7.871 -20.026) 25.631 8.313 ( -4.503 4.592 -2.213) 6.801 9.036 ( -3.666 -6.105 24.143) 25.171 9.619 ( 18.542 0.730 -6.542) 19.676 19.342 ( -0.808 0.753 -0.119) 1.111 19.773 ( 0.335 -0.980 -0.286) 1.074 39.052 ( 0.481 -0.625 0.265) 0.832 61.794 ( 1.625 -2.623 -4.409) 5.382 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( -18.750 -19.209 -20.003) 33.476 4.356 ( -26.466 8.487 -8.129) 28.958 6.381 ( 8.262 -2.242 8.902) 12.351 6.717 ( 0.192 13.553 11.009) 17.462 7.706 ( -21.990 -12.331 -18.897) 31.507 8.270 ( -4.109 3.010 -3.492) 6.175 8.895 ( -9.147 -8.355 12.665) 17.716 10.042 ( 23.374 4.766 0.702) 23.865 19.329 ( -1.233 0.424 -0.178) 1.316 19.763 ( -0.157 -1.150 -0.049) 1.161 39.054 ( 0.273 -0.720 0.952) 1.224 61.807 ( 5.286 -0.329 -10.967) 12.178 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -22.929 -20.790 -25.262) 39.952 3.863 ( -33.882 5.233 -9.284) 35.518 6.325 ( -21.206 -13.160 9.763) 26.799 6.816 ( -3.884 8.313 8.791) 12.707 7.348 ( 2.999 -0.706 -11.228) 11.643 8.197 ( -3.735 -0.589 -5.368) 6.566 8.704 ( -10.363 -3.690 5.037) 12.099 10.456 ( 19.414 2.602 3.393) 19.879 19.308 ( -1.476 0.146 -0.168) 1.492 19.746 ( -0.430 -1.127 0.425) 1.279 39.057 ( 0.283 -0.645 1.620) 1.767 61.871 ( 8.228 1.421 -16.678) 18.651 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -25.420 -19.708 -28.115) 42.720 3.245 ( -37.488 1.779 -8.663) 38.517 5.544 ( -46.550 -19.111 2.219) 50.369 6.934 ( 2.157 7.542 10.236) 12.896 7.517 ( 13.053 2.305 -2.323) 13.457 8.080 ( -3.279 -5.713 -7.093) 9.680 8.518 ( -12.528 2.893 2.221) 13.048 10.781 ( 15.202 0.540 3.009) 15.507 19.282 ( -1.509 -0.031 -0.096) 1.513 19.732 ( -0.452 -0.934 1.175) 1.567 39.066 ( 0.472 -0.422 2.176) 2.266 61.968 ( 10.085 2.416 -21.470) 23.844 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -26.144 -16.805 -27.740) 41.659 2.560 ( -38.732 -1.021 -7.050) 39.381 4.489 ( -54.625 -17.600 -0.722) 57.395 7.096 ( 1.821 8.883 11.150) 14.371 7.723 ( 10.976 -6.023 0.423) 12.527 7.925 ( -2.518 -6.087 -7.954) 10.328 8.361 ( -13.005 8.465 1.575) 15.597 11.015 ( 11.376 -0.723 0.870) 11.432 19.256 ( -1.360 -0.096 -0.008) 1.363 19.724 ( -0.287 -0.633 2.055) 2.169 39.083 ( 0.692 -0.159 2.326) 2.432 62.073 ( 10.482 2.483 -24.829) 27.065 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -24.958 -11.503 -21.888) 35.133 1.855 ( -38.314 -2.422 -4.478) 38.650 3.351 ( -59.974 -12.052 -1.786) 61.199 7.265 ( 1.321 10.571 10.475) 14.940 7.655 ( -0.540 -15.528 -5.594) 16.514 7.904 ( 0.762 -0.319 -1.652) 1.847 8.274 ( -6.754 8.021 2.381) 10.753 11.168 ( 7.893 -0.977 -1.518) 8.097 19.234 ( -1.082 -0.073 0.039) 1.085 19.727 ( -0.021 -0.294 2.532) 2.549 39.104 ( 0.766 0.010 1.684) 1.850 62.156 ( 8.885 1.534 -23.809) 25.459 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -21.934 -0.000 0.000) 21.934 1.185 ( -36.644 -0.000 0.000) 36.644 2.218 ( -63.630 -0.000 0.000) 63.630 7.409 ( 1.608 0.000 -0.000) 1.608 7.501 ( -1.133 -0.000 0.000) 1.133 7.829 ( -7.756 -0.000 0.000) 7.756 8.295 ( 2.012 0.000 -0.000) 2.012 11.263 ( 4.645 0.000 -0.000) 4.645 19.219 ( -0.735 -0.000 0.000) 0.735 19.735 ( 0.240 0.000 -0.000) 0.240 39.120 ( 0.605 0.000 -0.000) 0.605 62.219 ( 5.315 0.000 -0.000) 5.315 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.000 16.611 42.401) 45.539 1.251 ( 0.000 33.897 -1.237) 33.920 2.968 ( 0.000 56.681 37.775) 68.116 7.460 ( 0.000 -2.451 5.591) 6.105 7.558 ( -0.000 9.448 -12.920) 16.006 7.684 ( -0.000 4.286 -4.223) 6.017 8.428 ( 0.000 8.071 7.397) 10.948 11.121 ( -0.000 -15.092 -7.249) 16.743 19.228 ( 0.000 0.805 0.452) 0.923 19.587 ( -0.000 4.819 -12.272) 13.184 39.058 ( -0.000 -1.345 -4.660) 4.850 63.251 ( 0.000 -46.902 94.215) 105.244 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 10.383 16.187 42.531) 46.677 1.803 ( 22.653 31.960 1.576) 39.205 3.764 ( 10.523 53.571 31.973) 63.268 7.387 ( -14.628 9.414 -13.201) 21.838 7.527 ( 6.119 -3.522 7.959) 10.639 7.843 ( 7.593 3.173 -3.936) 9.122 8.507 ( -3.323 6.762 10.456) 12.888 10.942 ( 1.470 -14.483 -13.931) 20.149 19.241 ( 0.250 1.021 0.399) 1.124 19.600 ( 1.758 3.119 -8.909) 9.601 39.024 ( 0.088 -1.250 -5.182) 5.331 63.068 ( -11.560 -35.494 69.815) 79.168 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 17.283 13.854 39.939) 45.670 2.577 ( 28.046 31.446 4.698) 42.397 4.619 ( 17.134 46.807 23.125) 54.948 7.178 ( -13.873 9.098 -11.807) 20.363 7.635 ( 6.814 -7.042 8.735) 13.127 7.943 ( 3.600 1.029 0.565) 3.787 8.549 ( -3.987 8.149 5.263) 10.488 10.761 ( 1.148 -14.025 -16.323) 21.551 19.261 ( 0.559 1.321 0.329) 1.472 19.627 ( 2.204 1.778 -6.044) 6.675 38.997 ( 0.576 -0.882 -4.954) 5.064 62.794 ( -13.565 -26.659 50.154) 58.396 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 21.297 10.836 34.852) 42.257 3.380 ( 25.037 32.509 6.916) 41.612 5.441 ( 20.830 36.315 12.812) 43.781 7.002 ( -11.474 9.086 -9.394) 17.391 7.640 ( -1.446 -10.377 12.039) 15.960 8.042 ( 6.874 1.160 1.144) 7.065 8.580 ( -2.968 8.726 -2.401) 9.525 10.560 ( -0.909 -14.344 -14.101) 20.135 19.288 ( 0.706 1.635 0.299) 1.806 19.658 ( 2.326 0.879 -3.896) 4.621 38.986 ( 1.127 -0.516 -3.967) 4.157 62.513 ( -12.636 -21.170 35.197) 42.973 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 23.076 7.335 28.218) 37.183 4.104 ( 17.310 33.468 6.738) 38.278 6.078 ( 15.450 17.438 1.109) 23.325 6.910 ( -7.524 12.281 -5.542) 15.432 7.556 ( -1.474 -5.619 14.872) 15.966 8.192 ( 8.117 1.577 -0.192) 8.271 8.593 ( -1.949 6.774 -8.272) 10.868 10.322 ( -4.159 -15.679 -8.591) 18.356 19.318 ( 0.585 1.902 0.261) 2.007 19.689 ( 2.303 0.128 -2.387) 3.319 38.991 ( 1.467 -0.310 -2.639) 3.035 62.248 ( -10.509 -17.098 23.305) 30.755 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 22.623 2.872 20.306) 30.535 4.657 ( 5.889 32.341 2.914) 33.002 6.272 ( 1.789 -0.873 -1.396) 2.431 6.848 ( -11.535 7.812 -6.084) 15.202 7.786 ( 18.266 10.459 16.393) 26.679 8.333 ( 5.779 3.505 -2.066) 7.067 8.569 ( -1.522 3.088 -13.078) 13.523 10.031 ( -7.958 -18.013 -1.809) 19.776 19.345 ( 0.185 2.039 0.178) 2.055 19.717 ( 2.101 -0.573 -1.433) 2.607 39.005 ( 1.488 -0.321 -1.406) 2.072 62.019 ( -7.602 -13.458 13.496) 20.520 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.324 ( 17.194 -5.288 8.816) 20.033 4.940 ( -7.405 28.064 -2.260) 29.112 6.260 ( -1.496 -0.929 5.431) 5.709 6.678 ( -10.627 7.053 -4.947) 13.681 8.351 ( 17.208 9.932 13.118) 23.809 8.449 ( 3.066 9.599 -0.012) 10.077 8.493 ( 5.192 -2.016 -20.292) 21.042 9.681 ( -10.699 -20.768 3.738) 23.659 19.364 ( -0.412 1.977 0.053) 2.021 19.737 ( 1.714 -1.164 -0.909) 2.262 39.021 ( 1.256 -0.508 -0.511) 1.448 61.842 ( -4.181 -9.957 5.352) 12.053 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( -1.233 -15.873 -8.852) 18.216 5.018 ( -12.840 25.337 -0.393) 28.407 6.227 ( -3.289 0.039 3.732) 4.975 6.686 ( -0.186 12.915 6.098) 14.284 8.275 ( -8.364 -5.020 -19.974) 22.229 8.457 ( -4.892 8.216 -1.624) 9.700 9.007 ( 22.315 6.394 16.134) 28.269 9.326 ( -3.654 -20.275 -0.759) 20.616 19.370 ( -1.054 1.696 -0.075) 1.998 19.745 ( 1.207 -1.529 -0.640) 2.050 39.033 ( 0.940 -0.744 0.039) 1.200 61.727 ( -0.567 -6.650 -1.251) 6.790 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -15.357 -18.287 -16.932) 29.273 4.916 ( -25.253 19.282 -4.542) 32.096 6.269 ( 6.475 -0.246 7.039) 9.568 6.898 ( 1.668 16.024 12.329) 20.287 7.883 ( -19.580 -9.814 -17.973) 28.332 8.396 ( -8.043 4.134 -3.778) 9.801 8.984 ( -7.167 -12.629 10.954) 18.189 9.623 ( 28.700 1.664 0.739) 28.757 19.361 ( -1.577 1.253 -0.156) 2.020 19.743 ( 0.696 -1.596 -0.438) 1.796 39.039 ( 0.727 -0.874 0.394) 1.203 61.680 ( 2.867 -3.746 -6.295) 7.867 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -22.351 -17.296 -18.999) 34.054 4.518 ( -35.381 12.658 -7.138) 38.249 6.439 ( 4.519 -0.649 13.332) 14.092 7.082 ( -9.527 9.549 9.823) 16.686 7.348 ( -14.017 -6.112 -12.438) 19.711 8.244 ( -6.851 -3.799 -6.723) 10.323 8.837 ( -5.979 -2.222 4.098) 7.581 10.095 ( 24.789 -0.533 2.163) 24.889 19.341 ( -1.872 0.768 -0.161) 2.030 19.735 ( 0.308 -1.379 -0.163) 1.422 39.045 ( 0.718 -0.796 0.701) 1.281 61.695 ( 5.731 -1.492 -9.641) 11.315 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -26.703 -14.247 -17.941) 35.184 3.933 ( -40.283 7.096 -6.347) 41.393 6.166 ( -39.196 -9.948 8.845) 41.394 6.942 ( 6.139 2.018 -3.850) 7.522 7.420 ( 3.910 8.769 9.100) 13.228 8.046 ( -4.725 -8.469 -9.535) 13.601 8.742 ( -8.244 3.812 1.926) 9.285 10.477 ( 20.353 -1.790 1.382) 20.478 19.313 ( -1.914 0.362 -0.101) 1.950 19.727 ( 0.131 -0.959 0.199) 0.988 39.056 ( 0.872 -0.530 0.933) 1.383 61.760 ( 7.659 -0.084 -10.864) 13.293 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -29.223 -8.850 -12.644) 33.048 3.249 ( -42.223 2.564 -3.754) 42.467 5.286 ( -52.032 -7.762 1.740) 52.636 7.131 ( 8.995 4.978 2.466) 10.573 7.582 ( 2.461 2.216 8.571) 9.189 7.859 ( -1.637 -7.078 -10.072) 12.419 8.632 ( -10.324 4.357 1.102) 11.260 10.772 ( 15.781 -1.482 0.265) 15.853 19.283 ( -1.745 0.101 -0.027) 1.749 19.724 ( 0.156 -0.455 0.450) 0.659 39.072 ( 1.035 -0.207 0.827) 1.341 61.858 ( 8.383 0.390 -8.762) 12.132 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -29.272 -0.000 0.000) 29.272 2.530 ( -41.700 -0.000 0.000) 41.700 4.305 ( -57.633 -0.000 0.000) 57.633 7.313 ( 6.057 0.000 -0.000) 6.057 7.567 ( -2.863 -0.000 0.000) 2.863 7.843 ( 4.278 0.000 -0.000) 4.278 8.477 ( -10.719 -0.000 0.000) 10.719 10.996 ( 11.430 0.000 -0.000) 11.430 19.256 ( -1.444 -0.000 0.000) 1.444 19.726 ( 0.244 0.000 -0.000) 0.244 39.092 ( 1.027 0.000 -0.000) 1.027 61.980 ( 8.056 0.000 -0.000) 8.056 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 0.000 17.223 43.749) 47.017 1.918 ( 0.000 33.297 1.055) 33.314 4.360 ( 0.000 54.494 30.502) 62.450 7.462 ( 0.000 -1.427 3.507) 3.786 7.647 ( -0.000 10.336 -12.735) 16.401 7.724 ( -0.000 2.713 -2.626) 3.776 8.624 ( 0.000 0.669 14.896) 14.911 10.715 ( -0.000 -13.454 -18.723) 23.056 19.250 ( 0.000 0.965 0.454) 1.066 19.582 ( -0.000 3.335 -7.685) 8.377 38.988 ( -0.000 -1.342 -5.078) 5.252 63.072 ( 0.000 -37.281 59.733) 70.413 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 7.373 15.016 40.469) 43.791 2.451 ( 21.438 30.827 3.278) 37.692 5.042 ( 4.270 50.748 24.150) 56.363 7.445 ( -8.688 7.295 -12.735) 17.056 7.543 ( -1.504 -1.705 7.666) 7.996 7.874 ( 6.602 3.275 -3.729) 8.259 8.658 ( -0.992 -2.472 10.858) 11.180 10.527 ( 1.489 -11.192 -19.703) 22.709 19.265 ( 0.466 1.106 0.396) 1.264 19.594 ( 1.102 2.644 -5.876) 6.537 38.959 ( 0.396 -0.927 -4.430) 4.543 62.882 ( -6.919 -32.841 46.575) 57.408 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 13.286 10.280 36.741) 40.399 3.218 ( 30.165 29.510 3.047) 42.309 5.679 ( 5.702 42.536 14.317) 45.241 7.268 ( -12.919 9.782 -11.152) 19.671 7.581 ( 3.091 -6.732 10.123) 12.544 7.969 ( 3.811 1.749 -0.609) 4.237 8.649 ( -0.123 -1.772 0.598) 1.874 10.367 ( 0.485 -10.175 -15.566) 18.602 19.291 ( 0.885 1.428 0.372) 1.720 19.618 ( 1.600 1.709 -4.201) 4.810 38.948 ( 0.924 -0.371 -3.210) 3.360 62.610 ( -9.341 -27.610 34.109) 44.866 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 17.329 5.006 29.761) 34.801 4.044 ( 29.271 29.933 3.463) 42.009 6.141 ( 2.838 26.095 0.832) 26.262 7.148 ( -8.734 11.814 -5.673) 15.749 7.578 ( -0.272 -5.652 12.098) 13.357 8.069 ( 6.537 2.125 -1.606) 7.058 8.628 ( 0.311 -0.203 -6.746) 6.757 10.197 ( -2.492 -11.175 -8.409) 14.205 19.326 ( 0.986 1.863 0.377) 2.141 19.645 ( 1.838 0.672 -2.886) 3.487 38.955 ( 1.292 0.013 -1.770) 2.192 62.321 ( -9.189 -22.741 23.218) 33.774 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 19.392 -0.714 20.651) 28.337 4.797 ( 19.805 32.219 3.179) 37.953 6.271 ( -2.406 5.655 -5.772) 8.431 7.092 ( -10.211 8.809 -6.067) 14.787 7.689 ( 9.836 5.901 12.643) 17.071 8.210 ( 7.961 3.031 -4.908) 9.832 8.595 ( -0.751 0.607 -7.755) 7.815 9.979 ( -6.544 -13.825 -0.863) 15.320 19.362 ( 0.643 2.305 0.349) 2.418 19.668 ( 1.953 -0.424 -1.956) 2.796 38.974 ( 1.353 0.085 -0.564) 1.468 62.053 ( -7.566 -18.096 14.041) 24.122 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( 17.544 -7.334 9.388) 21.207 5.317 ( 0.817 32.627 -0.159) 32.638 6.263 ( 2.569 0.339 2.385) 3.522 6.923 ( -12.931 6.316 -7.178) 16.082 8.077 ( 21.348 5.637 2.237) 22.193 8.332 ( 5.049 3.861 -8.873) 10.915 8.564 ( -1.317 2.925 -2.376) 3.992 9.688 ( -10.859 -17.102 5.743) 21.057 19.393 ( -0.111 2.571 0.248) 2.586 19.686 ( 1.975 -1.392 -1.341) 2.764 38.995 ( 1.153 -0.119 0.141) 1.168 61.830 ( -5.072 -13.580 6.614) 15.933 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.131 ( 7.463 -13.971 -3.561) 16.234 5.493 ( -10.858 27.076 -0.448) 29.176 6.339 ( -4.236 3.788 4.152) 7.038 6.833 ( -1.204 10.861 1.339) 11.009 8.231 ( -0.262 -3.624 -20.688) 21.005 8.555 ( 9.181 2.886 2.885) 10.047 8.655 ( 15.072 6.402 -1.732) 16.467 9.333 ( -13.406 -18.259 12.595) 25.918 19.409 ( -1.047 2.448 0.092) 2.665 19.698 ( 1.859 -1.934 -0.929) 2.839 39.011 ( 0.871 -0.434 0.368) 1.041 61.671 ( -2.139 -9.322 0.990) 9.615 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -7.252 -15.619 -11.444) 20.676 5.513 ( -18.863 23.644 -1.162) 30.269 6.246 ( -3.356 -0.516 2.291) 4.096 7.068 ( 4.418 17.172 12.159) 21.500 8.005 ( -11.557 -5.419 -16.657) 20.985 8.556 ( -7.904 -0.794 -5.421) 9.618 8.917 ( 6.520 -13.613 -3.777) 15.559 9.217 ( 15.467 0.785 15.169) 21.678 19.406 ( -1.828 1.878 -0.045) 2.622 19.704 ( 1.541 -1.875 -0.618) 2.504 39.020 ( 0.700 -0.646 0.341) 1.012 61.583 ( 0.851 -5.592 -2.760) 6.294 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( -17.872 -12.529 -11.944) 24.881 5.227 ( -33.676 14.309 -4.652) 36.885 6.345 ( 10.156 1.497 7.413) 12.663 7.342 ( -0.368 15.855 14.966) 21.806 7.577 ( -23.142 -6.451 -11.969) 26.840 8.279 ( -9.257 -12.212 -8.602) 17.574 8.892 ( -0.268 -0.001 1.750) 1.771 9.650 ( 26.006 -1.301 3.740) 26.305 19.385 ( -2.238 1.093 -0.096) 2.492 19.709 ( 1.075 -1.353 -0.340) 1.761 39.027 ( 0.740 -0.611 0.293) 1.003 61.565 ( 3.557 -2.676 -4.496) 6.326 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -24.687 -7.180 -8.003) 26.927 4.671 ( -39.800 5.945 -3.245) 40.373 6.592 ( 5.736 3.671 14.239) 15.784 6.927 ( -28.494 -8.404 -13.563) 32.657 7.584 ( -1.239 14.999 13.653) 20.320 7.984 ( -5.476 -13.070 -11.684) 18.367 8.881 ( -3.718 2.341 0.937) 4.493 10.078 ( 24.307 -1.577 0.965) 24.378 19.352 ( -2.282 0.409 -0.062) 2.319 19.712 ( 0.642 -0.653 -0.089) 0.920 39.038 ( 0.931 -0.342 0.257) 1.024 61.610 ( 5.713 -0.781 -3.857) 6.937 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -28.649 -0.000 0.000) 28.649 3.985 ( -42.344 -0.000 0.000) 42.344 6.103 ( -46.582 -0.000 0.000) 46.582 6.929 ( 15.100 0.000 -0.000) 15.100 7.707 ( -5.408 -0.000 0.000) 5.408 7.769 ( 0.195 0.000 -0.000) 0.195 8.805 ( -7.108 -0.000 0.000) 7.108 10.455 ( 20.346 0.000 -0.000) 20.346 19.317 ( -2.078 -0.000 0.000) 2.078 19.717 ( 0.361 0.000 -0.000) 0.361 39.054 ( 1.094 0.000 -0.000) 1.094 61.709 ( 7.214 0.000 -0.000) 7.214 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.000 11.999 39.577) 41.356 2.562 ( 0.000 30.126 1.922) 30.188 5.603 ( 0.000 48.626 19.755) 52.486 7.458 ( 0.000 -0.830 0.552) 0.997 7.740 ( -0.000 10.105 -13.667) 16.997 7.748 ( -0.000 1.105 -0.458) 1.196 8.631 ( 0.000 -12.724 11.473) 17.133 10.351 ( -0.000 -5.238 -18.837) 19.552 19.272 ( 0.000 0.945 0.333) 1.002 19.590 ( -0.000 2.850 -4.901) 5.670 38.932 ( -0.000 -0.472 -3.280) 3.314 62.788 ( 0.000 -33.414 38.684) 51.117 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 5.498 7.576 34.728) 35.967 3.048 ( 20.937 26.888 1.968) 34.135 6.121 ( -0.445 41.399 11.200) 42.890 7.462 ( -0.732 3.139 -7.113) 7.809 7.573 ( -9.146 0.662 1.248) 9.254 7.913 ( 6.035 4.695 -5.285) 9.295 8.542 ( 2.883 -15.056 3.990) 15.840 10.248 ( -0.758 -1.764 -13.202) 13.341 19.290 ( 0.782 1.019 0.291) 1.317 19.604 ( 0.553 2.415 -3.763) 4.505 38.924 ( 0.476 0.206 -1.739) 1.814 62.573 ( -4.431 -30.479 29.527) 42.666 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 10.437 1.628 28.158) 30.074 3.777 ( 32.200 24.802 1.570) 40.674 6.441 ( -5.390 26.198 -2.071) 26.827 7.378 ( -8.638 9.910 -8.883) 15.866 7.547 ( 2.873 -3.949 8.437) 9.749 8.015 ( 3.313 4.863 -2.754) 6.497 8.488 ( 5.983 -11.035 -4.107) 13.207 10.155 ( -3.858 -1.996 -5.735) 7.194 19.322 ( 1.446 1.321 0.339) 1.987 19.621 ( 0.744 1.540 -2.800) 3.281 38.936 ( 0.801 0.718 -0.227) 1.099 62.305 ( -6.266 -25.972 20.685) 33.789 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 14.084 -3.904 18.990) 23.963 4.609 ( 34.537 24.434 2.605) 42.386 6.428 ( -10.411 7.938 -10.170) 16.578 7.312 ( -8.349 8.945 -7.150) 14.172 7.646 ( 6.158 2.953 7.019) 9.793 8.125 ( 4.820 6.353 -3.677) 8.781 8.485 ( 6.204 -7.434 -5.034) 10.913 10.014 ( -8.144 -4.264 1.235) 9.275 19.366 ( 1.631 1.832 0.433) 2.491 19.634 ( 0.840 0.334 -2.106) 2.292 38.960 ( 0.837 0.832 0.816) 1.435 62.036 ( -6.216 -20.785 12.932) 25.257 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 15.288 -8.532 8.866) 19.624 5.415 ( 26.180 26.800 3.938) 37.672 6.264 ( -5.795 0.061 -6.665) 8.832 7.177 ( -12.595 7.210 -8.454) 16.796 7.843 ( 10.810 2.490 -1.306) 11.170 8.257 ( 5.352 5.459 -6.601) 10.100 8.512 ( 5.493 -4.273 0.110) 6.960 9.798 ( -12.769 -6.742 6.736) 15.934 19.413 ( 1.075 2.478 0.496) 2.746 19.639 ( 1.102 -1.055 -1.632) 2.234 38.984 ( 0.634 0.564 1.179) 1.453 61.801 ( -4.947 -15.384 6.677) 17.485 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 11.523 -11.448 -0.471) 16.250 5.865 ( -4.730 19.238 -0.042) 19.811 6.378 ( 14.490 10.415 5.711) 18.736 6.987 ( -10.499 5.928 -7.009) 13.946 8.007 ( 10.650 -2.844 -13.350) 17.313 8.341 ( 6.089 -2.506 -4.775) 8.134 8.604 ( 5.997 1.314 2.555) 6.650 9.512 ( -16.071 -7.256 10.742) 20.647 19.450 ( -0.315 2.890 0.423) 2.938 19.640 ( 1.734 -2.150 -1.215) 3.018 39.001 ( 0.380 0.125 0.975) 1.054 61.625 ( -2.974 -10.196 2.143) 10.835 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 1.829 -10.924 -5.839) 12.521 5.909 ( -5.073 12.639 1.898) 13.750 6.465 ( -18.094 7.678 -2.022) 19.759 7.143 ( 13.539 15.698 9.626) 22.856 8.002 ( 0.178 -3.558 -16.946) 17.317 8.374 ( 8.993 -17.050 -5.463) 20.036 8.742 ( 5.748 4.730 -0.651) 7.472 9.258 ( -10.131 -3.410 12.764) 16.649 19.459 ( -1.856 2.276 0.181) 2.942 19.649 ( 2.275 -2.045 -0.715) 3.142 39.009 ( 0.278 -0.210 0.541) 0.643 61.518 ( -0.691 -5.668 -0.558) 5.737 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -9.636 -6.500 -5.158) 12.717 5.855 ( -23.183 10.192 -1.047) 25.346 6.253 ( -0.564 -0.278 1.315) 1.457 7.543 ( 4.437 17.318 15.447) 23.626 7.817 ( -11.937 -0.360 -11.816) 16.800 8.190 ( -3.251 -21.159 -8.057) 22.873 8.871 ( 4.248 2.954 -0.847) 5.243 9.301 ( 12.831 -0.865 5.871) 14.136 19.436 ( -2.534 0.966 0.006) 2.712 19.669 ( 1.983 -0.989 -0.277) 2.233 39.013 ( 0.416 -0.249 0.191) 0.521 61.484 ( 1.614 -2.186 -1.336) 3.028 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.346 ( -18.854 -0.000 0.000) 18.854 5.353 ( -36.467 -0.000 0.000) 36.467 6.407 ( 13.279 0.000 -0.000) 13.279 7.410 ( -27.443 -0.000 0.000) 27.443 7.782 ( -0.554 -0.000 0.000) 0.554 7.920 ( -6.304 -0.000 0.000) 6.304 8.923 ( 0.346 0.000 -0.000) 0.346 9.648 ( 24.348 0.000 -0.000) 24.348 19.396 ( -2.545 -0.000 0.000) 2.545 19.692 ( 1.280 0.000 -0.000) 1.280 39.022 ( 0.707 0.000 -0.000) 0.707 61.517 ( 3.762 0.000 -0.000) 3.762 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 0.000 2.691 30.080) 30.200 3.118 ( 0.000 24.223 1.328) 24.259 6.541 ( 0.000 33.345 4.049) 33.590 7.440 ( -0.000 -0.590 -1.374) 1.495 7.762 ( 0.000 0.197 1.035) 1.053 7.796 ( -0.000 8.472 -19.354) 21.127 8.361 ( 0.000 -17.718 7.379) 19.193 10.226 ( -0.000 3.349 -7.939) 8.617 19.292 ( 0.000 0.794 0.176) 0.813 19.611 ( -0.000 2.521 -3.001) 3.919 38.922 ( 0.000 0.959 -0.012) 0.960 62.422 ( 0.000 -29.612 23.232) 37.637 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 4.354 -2.356 23.732) 24.243 3.531 ( 21.048 20.578 0.684) 29.444 6.747 ( -5.944 17.085 -7.880) 19.731 7.455 ( 2.667 1.100 -3.798) 4.770 7.599 ( -8.329 3.048 -2.300) 9.162 7.952 ( 9.083 3.894 -10.688) 14.556 8.281 ( 2.346 -9.090 6.177) 11.238 10.219 ( -3.309 4.158 -2.026) 5.687 19.310 ( 1.130 0.805 0.164) 1.397 19.623 ( 0.022 2.053 -2.287) 3.074 38.941 ( 0.283 1.497 1.423) 2.085 62.203 ( -2.859 -26.011 16.630) 31.005 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 8.334 -6.651 15.691) 18.971 4.211 ( 34.661 17.682 1.084) 38.926 6.624 ( -11.098 1.854 -13.923) 17.901 7.475 ( -3.507 7.948 -10.483) 13.615 7.594 ( 3.679 1.369 5.436) 6.705 8.080 ( 7.366 2.159 -9.215) 11.993 8.298 ( 3.401 -2.467 4.302) 6.013 10.162 ( -7.922 2.848 3.061) 8.957 19.348 ( 2.129 1.020 0.259) 2.374 19.629 ( -0.233 1.171 -1.757) 2.124 38.969 ( 0.267 1.559 2.139) 2.660 61.967 ( -4.080 -20.770 10.617) 23.681 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 11.411 -8.926 7.391) 16.264 5.036 ( 40.449 16.102 2.666) 43.618 6.376 ( -10.250 -1.684 -10.689) 14.905 7.408 ( -9.099 8.299 -8.681) 15.067 7.717 ( 6.694 1.488 -1.249) 6.970 8.166 ( 6.377 -1.735 -7.016) 9.639 8.377 ( 4.970 0.212 3.753) 6.232 10.024 ( -12.792 0.900 6.221) 14.253 19.403 ( 2.632 1.449 0.421) 3.034 19.622 ( -0.513 -0.006 -1.420) 1.510 38.994 ( 0.028 1.161 2.027) 2.336 61.754 ( -4.034 -14.803 5.731) 16.378 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( 12.023 -8.569 0.972) 14.796 5.889 ( 34.436 16.187 5.298) 38.418 6.195 ( -1.463 -1.186 -5.404) 5.723 7.248 ( -14.375 6.497 -7.449) 17.445 7.816 ( 5.401 0.028 -6.326) 8.318 8.203 ( 4.592 -5.136 -4.051) 7.992 8.499 ( 7.138 0.559 2.971) 7.752 9.799 ( -16.626 -0.531 6.878) 18.000 19.466 ( 2.196 2.208 0.629) 3.178 19.601 ( -0.371 -1.454 -1.244) 1.949 39.008 ( -0.219 0.561 1.341) 1.470 61.592 ( -3.155 -8.912 2.262) 9.720 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 8.336 -5.447 -1.734) 10.108 6.044 ( -4.086 2.516 0.061) 4.799 6.747 ( 25.144 15.548 7.162) 30.417 7.001 ( -7.999 -0.449 -6.098) 10.069 7.839 ( 2.703 -3.255 -8.141) 9.175 8.186 ( 1.195 -5.952 -1.452) 6.242 8.649 ( 8.136 0.901 1.227) 8.277 9.522 ( -17.097 -0.661 4.938) 17.808 19.512 ( -0.964 2.713 0.627) 2.947 19.584 ( 2.103 -2.465 -0.923) 3.369 39.011 ( -0.256 0.099 0.537) 0.603 61.492 ( -1.793 -3.799 0.334) 4.214 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 0.252 0.000 -0.000) 0.252 6.031 ( 0.166 0.000 -0.000) 0.166 6.549 ( -25.578 -0.000 0.000) 25.578 7.480 ( 27.424 0.000 -0.000) 27.424 7.799 ( -0.398 -0.000 0.000) 0.398 8.120 ( -4.053 -0.000 0.000) 4.053 8.790 ( 6.948 0.000 -0.000) 6.948 9.289 ( -8.966 -0.000 0.000) 8.966 19.487 ( -2.685 -0.000 0.000) 2.685 19.621 ( 2.954 0.000 -0.000) 2.954 39.010 ( -0.003 -0.000 0.000) 0.003 61.457 ( -0.170 -0.000 0.000) 0.170 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 0.000 -6.050 17.721) 18.725 3.528 ( 0.000 16.456 0.204) 16.457 6.856 ( -0.000 3.172 -16.563) 16.864 7.415 ( -0.000 -0.487 -1.687) 1.756 7.727 ( -0.000 1.756 -12.086) 12.213 7.775 ( 0.000 0.064 1.426) 1.428 8.285 ( 0.000 4.371 4.391) 6.195 10.303 ( 0.000 6.119 1.687) 6.348 19.306 ( 0.000 0.563 0.059) 0.566 19.636 ( -0.000 1.946 -1.716) 2.595 38.965 ( 0.000 1.963 2.560) 3.226 62.042 ( 0.000 -23.059 12.052) 26.019 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 3.530 -8.242 11.311) 14.434 3.862 ( 21.750 12.521 0.037) 25.097 6.695 ( -6.655 -5.149 -17.635) 19.539 7.448 ( 4.560 1.327 -3.847) 6.112 7.656 ( -3.718 3.352 -1.143) 5.135 7.877 ( 8.233 -2.482 -2.981) 9.101 8.350 ( -1.149 7.585 0.605) 7.696 10.335 ( -4.865 5.558 4.309) 8.551 19.324 ( 1.426 0.512 0.070) 1.517 19.643 ( -0.422 1.390 -1.244) 1.913 38.996 ( -0.053 1.879 2.796) 3.369 61.863 ( -1.851 -17.934 7.715) 19.611 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 6.999 -7.844 5.240) 11.746 4.484 ( 37.055 9.090 0.649) 38.159 6.453 ( -7.697 -4.461 -11.336) 14.410 7.532 ( 1.943 5.757 -8.319) 10.301 7.641 ( 0.288 0.549 1.880) 1.979 7.971 ( 7.967 -4.656 -1.545) 9.356 8.395 ( -0.951 5.289 -0.389) 5.388 10.273 ( -10.174 3.555 4.904) 11.840 19.365 ( 2.716 0.558 0.144) 2.776 19.636 ( -1.043 0.623 -0.875) 1.497 39.019 ( -0.335 1.303 2.153) 2.538 61.701 ( -2.724 -11.687 4.108) 12.684 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 9.983 -4.780 1.153) 11.128 5.272 ( 44.930 5.659 1.304) 45.304 6.265 ( -6.932 -1.613 -4.571) 8.459 7.486 ( -9.160 4.390 -4.181) 10.984 7.717 ( 5.696 0.697 -2.056) 6.096 8.046 ( 6.537 -4.269 -0.232) 7.811 8.435 ( 2.237 1.753 0.251) 2.853 10.099 ( -14.778 1.272 3.333) 15.203 19.426 ( 3.610 0.585 0.199) 3.663 19.612 ( -1.709 -0.082 -0.540) 1.794 39.027 ( -0.597 0.547 1.033) 1.313 61.579 ( -2.867 -5.391 1.499) 6.287 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 10.917 0.000 -0.000) 10.917 6.101 ( 46.687 0.000 -0.000) 46.687 6.139 ( -5.911 -0.000 0.000) 5.911 7.286 ( -15.804 -0.000 0.000) 15.804 7.784 ( 2.218 0.000 -0.000) 2.218 8.114 ( 4.017 0.000 -0.000) 4.017 8.522 ( 6.769 0.000 -0.000) 6.769 9.832 ( -17.505 -0.000 0.000) 17.505 19.497 ( 4.005 0.000 -0.000) 4.005 19.574 ( -2.316 -0.000 0.000) 2.316 39.021 ( -0.597 -0.000 0.000) 0.597 61.510 ( -2.516 -0.000 0.000) 2.516 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 0.000 -7.744 6.723) 10.255 3.769 ( 0.000 8.132 -0.326) 8.139 6.612 ( -0.000 -6.969 -15.886) 17.348 7.395 ( -0.000 -0.304 -1.002) 1.048 7.712 ( -0.000 1.596 -2.834) 3.252 7.788 ( 0.000 0.136 0.954) 0.963 8.434 ( -0.000 6.857 -1.890) 7.113 10.452 ( 0.000 5.099 4.311) 6.677 19.315 ( 0.000 0.290 0.007) 0.290 19.655 ( -0.000 1.061 -0.792) 1.324 39.026 ( 0.000 1.604 2.489) 2.961 61.751 ( 0.000 -12.825 4.764) 13.681 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 3.108 -4.724 2.709) 6.270 4.026 ( 22.425 4.144 -0.099) 22.805 6.467 ( -3.925 -3.813 -7.907) 9.616 7.442 ( 5.642 0.388 -1.449) 5.838 7.695 ( -2.142 1.372 -0.747) 2.651 7.832 ( 4.338 -1.095 0.131) 4.476 8.463 ( -1.639 3.494 -1.415) 4.111 10.459 ( -5.621 2.714 2.753) 6.822 19.331 ( 1.596 0.175 0.017) 1.606 19.655 ( -0.677 0.490 -0.401) 0.927 39.044 ( -0.308 0.854 1.380) 1.652 61.658 ( -1.340 -6.447 2.125) 6.919 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 6.583 0.000 -0.000) 6.583 4.577 ( 38.103 0.000 -0.000) 38.103 6.350 ( -5.586 -0.000 0.000) 5.586 7.554 ( 5.354 0.000 -0.000) 5.354 7.656 ( -2.094 -0.000 0.000) 2.094 7.915 ( 6.122 0.000 -0.000) 6.122 8.445 ( -1.567 -0.000 0.000) 1.567 10.336 ( -10.888 -0.000 0.000) 10.888 19.371 ( 2.952 0.000 -0.000) 2.952 19.639 ( -1.363 -0.000 0.000) 1.363 39.043 ( -0.596 -0.000 0.000) 0.596 61.599 ( -2.258 -0.000 0.000) 2.258 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 0.000 0.000 -0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 6.462 ( 0.000 0.000 0.000) 0.000 7.388 ( -0.000 0.000 -0.000) 0.000 7.717 ( 0.000 0.000 -0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 19.318 ( 0.000 0.000 -0.000) 0.000 19.663 ( 0.000 0.000 -0.000) 0.000 39.055 ( 0.000 0.000 0.000) 0.000 61.641 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 0.000 -0.000 13.511) 13.511 0.168 ( 0.000 -0.000 13.511) 13.511 1.207 ( 0.000 -0.000 94.796) 94.796 7.391 ( -0.000 0.000 -10.315) 10.315 7.391 ( -0.000 0.000 -10.315) 10.315 7.681 ( 0.000 -0.000 8.908) 8.908 7.681 ( 0.000 -0.000 8.908) 8.908 11.844 ( -0.000 0.000 -8.530) 8.530 19.208 ( 0.000 -0.000 0.251) 0.251 19.208 ( 0.000 -0.000 0.251) 0.251 39.129 ( -0.000 0.000 -0.302) 0.302 66.595 ( 0.000 -0.000 0.064) 0.064 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 29.265 16.896 12.849) 36.152 0.797 ( 28.185 16.272 9.825) 33.996 1.920 ( 27.428 15.836 73.319) 79.867 7.210 ( -5.878 -3.393 -11.404) 13.271 7.522 ( 7.287 4.207 -5.367) 9.980 7.827 ( 4.903 2.831 7.676) 9.538 7.982 ( 14.970 8.643 -11.067) 20.526 11.531 ( -14.564 -8.408 1.854) 16.918 19.211 ( 0.282 0.163 0.214) 0.389 19.430 ( 11.387 6.574 -15.018) 19.960 39.094 ( -1.770 -1.022 -1.647) 2.625 64.716 ( -94.380 -54.490 124.704) 165.614 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 25.618 14.790 31.023) 42.865 1.490 ( 28.890 16.680 9.626) 34.721 2.954 ( 39.362 22.726 45.603) 64.385 7.033 ( -5.300 -3.060 -11.758) 13.256 7.709 ( 10.693 6.174 -4.570) 13.166 7.963 ( 4.455 2.572 6.163) 8.028 8.129 ( 0.814 0.470 1.415) 1.699 11.262 ( -8.824 -5.094 -7.696) 12.769 19.222 ( 0.632 0.365 0.201) 0.757 19.558 ( 5.642 3.257 -11.029) 12.810 39.050 ( -0.986 -0.569 -3.836) 4.001 63.656 ( -47.081 -27.182 90.903) 105.920 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 28.696 16.567 9.415) 34.447 2.200 ( 25.386 14.657 38.895) 48.704 4.051 ( 42.566 24.576 28.163) 56.648 6.871 ( -4.582 -2.646 -11.756) 12.892 7.946 ( 10.124 5.845 -4.135) 12.400 8.077 ( -5.636 -3.254 9.060) 11.155 8.079 ( 3.608 2.083 5.030) 6.531 11.037 ( -7.172 -4.141 -14.105) 16.357 19.241 ( 0.925 0.534 0.208) 1.088 19.621 ( 3.581 2.068 -7.026) 8.153 39.019 ( -0.110 -0.064 -4.550) 4.552 63.121 ( -30.321 -17.506 61.343) 70.632 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 27.264 15.741 8.610) 32.638 2.938 ( 24.531 14.163 38.578) 47.861 5.109 ( 41.120 23.741 17.293) 50.532 6.724 ( -4.043 -2.334 -11.166) 12.103 7.869 ( -11.948 -6.898 13.080) 19.011 8.170 ( 2.568 1.483 4.218) 5.156 8.218 ( 11.471 6.623 -7.389) 15.167 10.807 ( -7.804 -4.505 -14.784) 17.314 19.265 ( 1.091 0.630 0.208) 1.277 19.669 ( 2.753 1.589 -4.322) 5.365 39.007 ( 0.622 0.359 -4.063) 4.126 62.740 ( -22.775 -13.149 41.860) 49.435 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 24.073 13.899 7.018) 28.669 3.628 ( 22.380 12.921 32.662) 41.649 6.019 ( 31.362 18.107 9.471) 37.431 6.592 ( -3.698 -2.135 -9.580) 10.488 7.667 ( -8.274 -4.777 14.321) 17.215 8.232 ( 1.488 0.859 3.429) 3.836 8.422 ( 9.644 5.568 -12.300) 16.592 10.551 ( -10.004 -5.776 -10.676) 15.729 19.291 ( 1.073 0.620 0.168) 1.251 19.711 ( 2.205 1.273 -2.538) 3.595 39.012 ( 1.040 0.601 -2.973) 3.207 62.426 ( -17.725 -10.233 27.485) 34.268 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 18.476 10.667 4.409) 21.785 4.218 ( 18.576 10.725 22.806) 31.308 6.442 ( 1.580 0.912 2.334) 2.963 6.479 ( -3.020 -1.743 -6.455) 7.337 7.799 ( 16.264 9.390 17.036) 25.356 8.267 ( 0.486 0.280 2.325) 2.392 8.542 ( 6.560 3.787 -18.788) 20.258 10.257 ( -13.131 -7.581 -4.035) 15.690 19.314 ( 0.851 0.491 0.080) 0.986 19.746 ( 1.606 0.927 -1.469) 2.365 39.027 ( 1.083 0.625 -1.801) 2.192 62.165 ( -13.154 -7.594 15.902) 21.990 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( 9.694 5.597 0.513) 11.205 4.626 ( 9.863 5.695 8.649) 14.301 6.300 ( -9.171 -5.295 2.306) 10.838 6.413 ( -0.940 -0.543 -1.377) 1.753 8.275 ( -0.330 -0.190 0.749) 0.841 8.339 ( 14.535 8.392 9.447) 19.260 8.611 ( 12.899 7.447 -15.612) 21.577 9.922 ( -15.386 -8.883 1.131) 17.802 19.329 ( 0.456 0.263 -0.040) 0.528 19.770 ( 0.907 0.524 -0.941) 1.408 39.043 ( 0.827 0.477 -0.871) 1.292 61.963 ( -8.546 -4.934 6.258) 11.685 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( -1.630 -0.941 -3.834) 4.271 4.653 ( -8.225 -4.749 -9.738) 13.602 6.226 ( 2.254 1.301 9.294) 9.651 6.437 ( 2.526 1.458 4.678) 5.513 8.259 ( -0.890 -0.514 -1.163) 1.551 8.278 ( -8.869 -5.121 -20.140) 22.595 9.114 ( 16.584 9.575 20.604) 28.128 9.614 ( -7.038 -4.063 -5.456) 9.788 19.334 ( -0.029 -0.017 -0.152) 0.156 19.779 ( 0.212 0.123 -0.738) 0.778 39.056 ( 0.459 0.265 -0.283) 0.600 61.830 ( -3.965 -2.289 -1.667) 4.872 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( -21.348 -12.326 -21.214) 32.522 4.247 ( -12.126 -7.001 -6.552) 15.459 6.436 ( 9.451 5.457 14.109) 17.837 6.557 ( 4.903 2.831 9.286) 10.876 7.863 ( -19.527 -11.274 -18.626) 29.247 8.226 ( -1.242 -0.717 -3.084) 3.401 9.121 ( -14.015 -8.092 13.742) 21.230 9.868 ( 22.000 12.702 -1.794) 25.466 19.327 ( -0.500 -0.289 -0.213) 0.616 19.774 ( -0.327 -0.189 -0.633) 0.737 39.062 ( 0.192 0.111 0.041) 0.226 61.768 ( 0.276 0.159 -7.832) 7.838 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -26.648 -15.385 -25.981) 40.272 3.847 ( -19.817 -11.442 -7.363) 24.038 6.606 ( -8.450 -4.879 17.726) 20.234 6.720 ( 5.234 3.022 11.828) 13.283 7.355 ( -11.243 -6.491 -14.981) 19.823 8.177 ( -1.573 -0.908 -4.730) 5.067 8.844 ( -12.803 -7.392 3.281) 15.143 10.336 ( 18.329 10.582 1.266) 21.202 19.310 ( -0.860 -0.496 -0.192) 1.011 19.761 ( -0.593 -0.342 -0.462) 0.826 39.066 ( 0.167 0.096 0.231) 0.301 61.774 ( 3.773 2.178 -12.056) 12.819 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -28.805 -16.631 -26.921) 42.791 3.302 ( -24.929 -14.393 -7.202) 29.673 6.007 ( -41.445 -23.928 8.319) 48.574 6.887 ( 4.650 2.685 13.038) 14.100 7.416 ( 12.139 7.009 0.008) 14.017 8.113 ( -2.109 -1.218 -6.024) 6.498 8.568 ( -11.931 -6.888 -0.544) 13.787 10.703 ( 13.704 7.912 -0.759) 15.843 19.287 ( -1.049 -0.605 -0.091) 1.214 19.746 ( -0.549 -0.317 -0.213) 0.669 39.073 ( 0.368 0.213 0.308) 0.525 61.833 ( 6.123 3.535 -13.878) 15.576 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -28.909 -16.691 -23.941) 41.079 2.666 ( -27.919 -16.119 -6.649) 32.917 4.983 ( -49.845 -28.778 6.757) 57.952 7.042 ( 4.133 2.386 13.388) 14.213 7.714 ( 11.541 6.663 4.824) 14.172 8.028 ( -2.973 -1.716 -7.057) 7.847 8.301 ( -11.174 -6.451 0.579) 12.915 10.958 ( 9.765 5.638 -4.805) 12.257 19.263 ( -1.058 -0.611 0.055) 1.223 19.736 ( -0.270 -0.156 -0.136) 0.340 39.086 ( 0.640 0.369 0.077) 0.743 61.929 ( 7.012 4.049 -11.886) 14.382 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -26.679 -15.403 -14.924) 34.230 1.985 ( -29.205 -16.862 -5.951) 34.244 3.826 ( -53.902 -31.120 8.745) 62.852 7.191 ( 4.051 2.339 12.986) 13.803 7.874 ( -1.897 -1.095 -5.050) 5.505 7.916 ( -4.079 -2.355 -7.903) 9.200 8.153 ( -0.259 -0.150 14.254) 14.258 11.115 ( 6.778 3.914 -8.851) 11.815 19.241 ( -0.922 -0.532 0.193) 1.082 19.732 ( 0.059 0.034 -1.059) 1.061 39.101 ( 0.770 0.444 -0.807) 1.201 62.053 ( 6.556 3.785 -1.049) 7.643 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -20.801 -12.009 8.050) 25.332 1.293 ( -29.332 -16.935 -5.202) 34.267 2.624 ( -55.457 -32.018 15.892) 65.979 7.338 ( 4.274 2.467 11.611) 12.616 7.691 ( -8.088 -4.669 -7.341) 11.879 7.776 ( -5.091 -2.939 -8.334) 10.199 8.294 ( 3.176 1.834 12.681) 13.201 11.210 ( 5.408 3.122 -7.373) 9.662 19.223 ( -0.690 -0.398 0.274) 0.842 19.720 ( -0.268 -0.155 -6.001) 6.009 39.111 ( 0.638 0.368 -2.433) 2.542 62.275 ( 8.955 5.170 40.023) 41.337 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 31.126 2.308) 31.211 0.903 ( 0.000 28.094 23.437) 36.587 2.290 ( 0.000 30.313 76.146) 81.958 7.330 ( -0.000 6.913 -14.892) 16.418 7.421 ( -0.000 5.007 -9.818) 11.021 7.682 ( 0.000 -2.579 9.158) 9.514 8.097 ( 0.000 22.875 -2.335) 22.994 11.486 ( -0.000 -20.961 -3.823) 21.307 19.217 ( 0.000 0.510 0.466) 0.691 19.369 ( -0.000 11.050 -10.545) 15.274 39.087 ( -0.000 -2.835 -1.286) 3.113 65.164 ( 0.000 -98.363 89.435) 132.943 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 28.720 25.910 4.559) 38.948 1.406 ( 14.091 22.226 31.481) 41.032 3.037 ( 13.819 35.424 59.996) 71.030 7.163 ( -12.511 6.752 -12.890) 19.190 7.548 ( 9.119 3.043 -5.095) 10.880 7.816 ( 9.805 -2.077 4.119) 10.836 8.286 ( -2.141 17.312 1.315) 17.494 11.221 ( -3.470 -17.285 -9.499) 20.026 19.224 ( 0.043 0.793 0.394) 0.886 19.464 ( 4.515 6.235 -10.048) 12.658 39.041 ( -0.913 -2.255 -2.633) 3.584 64.352 ( -33.642 -59.147 83.922) 108.042 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 24.029 22.087 14.506) 35.717 2.086 ( 25.859 20.345 30.073) 44.575 3.925 ( 23.326 34.837 41.838) 59.229 6.971 ( -10.831 5.740 -11.902) 17.086 7.738 ( 12.392 0.654 -2.629) 12.684 7.944 ( 5.550 -2.897 3.743) 7.294 8.364 ( -7.197 12.435 6.013) 15.576 10.967 ( -2.248 -13.083 -16.478) 21.160 19.239 ( 0.425 1.006 0.330) 1.140 19.547 ( 4.109 3.325 -7.662) 9.308 38.999 ( -0.266 -1.235 -3.633) 3.846 63.665 ( -29.591 -35.646 64.973) 79.798 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 22.847 17.754 21.079) 35.799 2.867 ( 25.457 22.093 25.804) 42.450 4.849 ( 29.421 30.514 26.350) 49.910 6.807 ( -9.068 5.368 -10.691) 15.012 7.905 ( 5.288 -10.492 8.341) 14.409 7.996 ( 5.459 2.414 -2.754) 6.574 8.370 ( -7.041 11.739 2.737) 13.960 10.743 ( -1.861 -10.610 -18.348) 21.277 19.261 ( 0.681 1.196 0.289) 1.407 19.610 ( 3.531 1.996 -5.257) 6.640 38.979 ( 0.659 -0.425 -3.506) 3.593 63.150 ( -23.953 -25.092 46.761) 58.223 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 22.269 15.356 19.260) 33.206 3.581 ( 20.252 21.636 22.617) 37.279 5.716 ( 29.883 21.412 13.986) 39.333 6.683 ( -7.569 6.924 -7.994) 13.005 7.788 ( -6.928 -10.643 13.143) 18.276 8.153 ( 9.168 1.212 -4.671) 10.360 8.395 ( -2.435 10.050 -4.903) 11.445 10.531 ( -3.231 -9.983 -14.187) 17.646 19.287 ( 0.729 1.334 0.228) 1.537 19.664 ( 3.073 1.219 -3.396) 4.739 38.982 ( 1.321 0.064 -2.590) 2.908 62.729 ( -19.370 -19.275 31.714) 41.863 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 19.365 14.119 14.584) 28.054 4.158 ( 14.260 17.964 15.724) 27.808 6.269 ( 13.389 1.174 1.663) 13.543 6.643 ( -5.886 11.226 -2.235) 12.871 7.732 ( 5.566 1.124 13.998) 15.105 8.268 ( 4.383 1.750 -2.798) 5.487 8.426 ( 0.858 5.715 -12.890) 14.126 10.304 ( -6.262 -11.143 -6.743) 14.451 19.312 ( 0.544 1.371 0.126) 1.481 19.710 ( 2.549 0.586 -2.142) 3.380 39.000 ( 1.543 0.212 -1.479) 2.148 62.373 ( -15.078 -14.989 19.267) 28.692 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.320 ( 12.009 15.109 7.532) 20.718 4.527 ( 7.815 7.541 5.400) 12.129 6.332 ( 0.087 -4.111 2.863) 5.010 6.550 ( -11.204 4.222 -2.466) 12.224 8.170 ( 23.555 13.257 14.311) 30.584 8.318 ( -0.368 3.664 -1.330) 3.916 8.416 ( 3.083 1.131 -19.773) 20.044 10.030 ( -10.087 -13.470 0.178) 16.829 19.332 ( 0.159 1.279 -0.008) 1.289 19.743 ( 1.886 0.000 -1.428) 2.366 39.023 ( 1.375 0.087 -0.640) 1.519 62.083 ( -10.660 -11.146 9.030) 17.872 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( -7.425 9.789 -7.230) 14.255 4.612 ( 3.934 -1.605 -1.254) 4.430 6.270 ( -3.715 -1.825 7.227) 8.328 6.496 ( -0.916 7.823 4.040) 8.852 8.267 ( -4.559 -2.756 -19.613) 20.324 8.318 ( -3.525 4.612 -1.187) 5.925 8.873 ( 29.519 12.312 10.502) 33.664 9.696 ( -12.719 -15.475 2.743) 20.218 19.342 ( -0.341 1.064 -0.135) 1.125 19.762 ( 1.157 -0.496 -1.105) 1.674 39.041 ( 1.012 -0.160 -0.273) 1.060 61.868 ( -6.127 -7.494 0.980) 9.729 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( -14.249 -15.656 -17.568) 27.509 4.562 ( -16.609 12.220 -7.115) 21.813 6.327 ( 7.527 -1.308 11.407) 13.729 6.655 ( 2.160 13.135 11.365) 17.504 7.982 ( -13.979 -7.681 -17.798) 23.900 8.282 ( -4.705 4.243 -2.912) 6.973 9.309 ( -13.466 -13.506 12.805) 22.972 9.531 ( 27.702 7.687 -2.267) 28.837 19.340 ( -0.841 0.766 -0.211) 1.157 19.765 ( 0.505 -0.820 -0.988) 1.380 39.052 ( 0.693 -0.350 -0.318) 0.839 61.735 ( -1.748 -4.131 -4.713) 6.506 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.676 ( -21.249 -19.475 -21.257) 35.814 4.247 ( -27.732 9.386 -8.879) 30.594 6.540 ( 10.801 -2.934 15.553) 19.162 6.888 ( 0.632 14.266 16.011) 21.454 7.492 ( -21.886 -12.062 -14.196) 28.741 8.217 ( -4.796 2.200 -4.840) 7.160 8.984 ( -11.749 -10.228 0.748) 15.595 10.057 ( 23.948 5.642 1.992) 24.684 19.327 ( -1.230 0.449 -0.203) 1.325 19.756 ( 0.070 -0.914 -0.936) 1.310 39.057 ( 0.591 -0.349 -0.585) 0.902 61.685 ( 2.108 -1.286 -7.738) 8.123 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -25.678 -19.038 -20.191) 37.808 3.752 ( -33.800 5.440 -8.149) 35.191 6.498 ( -30.463 -16.490 16.256) 38.265 6.907 ( 0.720 2.093 5.507) 5.935 7.296 ( 8.358 6.845 4.576) 11.732 8.118 ( -4.010 -2.070 -7.046) 8.367 8.721 ( -10.975 -3.019 -2.425) 11.638 10.469 ( 19.083 3.014 -1.581) 19.384 19.306 ( -1.441 0.176 -0.107) 1.456 19.743 ( -0.085 -0.775 -0.936) 1.218 39.062 ( 0.718 -0.142 -0.959) 1.206 61.713 ( 5.089 0.814 -7.497) 9.098 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -28.059 -16.648 -14.082) 35.535 3.148 ( -37.250 2.348 -6.581) 37.900 5.622 ( -48.863 -21.536 9.555) 54.246 7.065 ( 5.446 4.147 10.952) 12.915 7.574 ( 11.462 3.554 10.689) 16.070 7.976 ( -3.021 -7.547 -9.197) 12.274 8.525 ( -11.991 4.486 -0.889) 12.834 10.760 ( 14.464 1.684 -6.374) 15.896 19.282 ( -1.458 -0.019 0.040) 1.458 19.732 ( -0.019 -0.465 -1.211) 1.298 39.071 ( 0.924 0.154 -1.535) 1.798 61.810 ( 7.044 2.050 -2.534) 7.761 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -28.099 -11.859 -0.652) 30.506 2.485 ( -38.794 0.644 -4.649) 39.077 4.558 ( -55.142 -20.905 11.120) 60.010 7.239 ( 3.314 6.120 11.699) 13.613 7.749 ( 3.025 -13.700 -3.260) 14.403 7.842 ( 2.907 -0.022 0.205) 2.915 8.398 ( -10.678 7.955 5.017) 14.229 10.953 ( 10.503 2.072 -10.360) 14.898 19.257 ( -1.311 -0.134 0.177) 1.330 19.722 ( 0.023 -0.103 -2.411) 2.414 39.082 ( 0.988 0.366 -2.557) 2.766 61.980 ( 8.621 2.574 11.016) 14.224 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -24.207 -2.966 23.009) 33.529 1.811 ( -38.815 1.209 -2.350) 38.905 3.450 ( -58.598 -16.668 16.822) 63.202 7.395 ( 2.004 5.823 10.143) 11.866 7.552 ( -1.406 -13.840 -10.631) 17.508 7.885 ( -2.562 1.789 -2.047) 3.736 8.362 ( -3.731 0.766 10.774) 11.428 11.094 ( 8.161 4.254 -9.578) 13.283 19.236 ( -1.051 -0.193 0.248) 1.097 19.702 ( -0.713 0.142 -6.045) 6.088 39.088 ( 0.815 0.382 -3.940) 4.041 62.295 ( 14.260 3.024 43.235) 45.626 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 33.352 3.589) 33.544 1.672 ( 0.000 22.849 39.230) 45.399 3.560 ( 0.000 40.812 54.246) 67.884 7.379 ( -0.000 10.365 -14.723) 18.005 7.423 ( -0.000 3.649 -9.673) 10.338 7.725 ( 0.000 -1.110 8.872) 8.941 8.486 ( 0.000 16.383 2.519) 16.576 11.000 ( -0.000 -21.071 -12.726) 24.616 19.234 ( 0.000 0.793 0.526) 0.952 19.452 ( -0.000 6.326 -8.437) 10.545 39.011 ( -0.000 -2.861 -2.563) 3.841 64.330 ( 0.000 -61.564 70.825) 93.842 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 23.257 30.631 5.178) 38.807 2.141 ( 9.488 19.163 42.589) 47.655 4.241 ( 7.161 41.459 42.313) 59.670 7.212 ( -13.452 9.045 -13.734) 21.246 7.562 ( 8.308 2.532 -4.337) 9.707 7.832 ( 7.099 -0.296 4.093) 8.200 8.607 ( -4.188 11.231 5.151) 13.046 10.741 ( 0.829 -18.221 -17.983) 25.614 19.246 ( 0.174 1.015 0.455) 1.125 19.497 ( 2.347 4.452 -6.912) 8.550 38.972 ( -0.114 -2.094 -2.721) 3.435 63.904 ( -15.439 -47.718 58.618) 77.145 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 22.005 25.164 16.771) 37.399 2.738 ( 22.312 18.034 31.425) 42.551 4.954 ( 12.268 37.659 28.597) 48.852 7.025 ( -12.353 9.288 -11.586) 19.316 7.712 ( 9.324 -2.114 0.417) 9.569 7.939 ( 3.979 -0.334 1.474) 4.256 8.610 ( -7.375 6.717 3.639) 10.618 10.529 ( 2.202 -13.687 -20.028) 24.358 19.265 ( 0.502 1.330 0.388) 1.474 19.553 ( 2.975 2.835 -5.251) 6.668 38.949 ( 0.518 -1.014 -2.326) 2.590 63.413 ( -18.494 -36.252 45.223) 60.839 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.191 ( 17.302 13.550 30.957) 37.965 3.494 ( 26.696 25.132 12.615) 38.775 5.617 ( 15.689 27.900 13.871) 34.885 6.891 ( -9.588 10.788 -7.188) 16.124 7.785 ( 1.566 -9.182 8.648) 12.710 8.006 ( 5.675 2.296 -5.492) 8.224 8.550 ( -6.139 5.678 -2.560) 8.745 10.369 ( 1.630 -10.953 -15.621) 19.148 19.292 ( 0.649 1.661 0.333) 1.814 19.608 ( 3.062 1.629 -3.740) 5.101 38.950 ( 1.198 -0.216 -1.374) 1.835 62.949 ( -17.434 -28.494 32.217) 46.409 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 18.368 6.458 27.060) 33.337 4.186 ( 17.390 28.567 6.210) 34.016 6.089 ( 12.194 10.155 -0.306) 15.872 6.863 ( -6.502 12.917 -1.348) 14.523 7.727 ( 0.154 -4.541 10.710) 11.634 8.126 ( 8.214 2.369 -9.985) 13.145 8.502 ( -4.040 5.408 -5.612) 8.779 10.218 ( -1.232 -11.393 -7.584) 13.742 19.321 ( 0.503 1.941 0.249) 2.021 19.657 ( 2.897 0.611 -2.580) 3.927 38.971 ( 1.521 0.116 -0.322) 1.559 62.531 ( -14.843 -22.557 20.567) 33.943 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 17.809 -1.288 17.610) 25.079 4.670 ( 3.341 30.064 -1.006) 30.265 6.265 ( 5.899 0.093 -0.272) 5.906 6.791 ( -12.263 5.206 -3.282) 13.721 7.953 ( 18.717 8.349 8.854) 22.325 8.222 ( 5.728 2.221 -13.782) 15.089 8.464 ( -4.105 5.143 -3.609) 7.505 10.021 ( -5.544 -14.192 0.321) 15.240 19.347 ( 0.078 2.084 0.126) 2.090 19.696 ( 2.516 -0.281 -1.818) 3.117 38.998 ( 1.433 0.030 0.363) 1.479 62.175 ( -11.404 -17.294 10.727) 23.328 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 9.090 -11.762 -0.182) 14.867 4.905 ( -7.290 29.587 -2.665) 30.588 6.339 ( -0.763 -0.472 5.883) 5.951 6.642 ( -5.873 8.022 -0.516) 9.955 8.198 ( 1.204 -1.699 -19.982) 20.090 8.443 ( -3.923 6.651 -1.252) 7.823 8.510 ( 26.963 9.654 6.216) 29.306 9.745 ( -10.001 -17.428 6.692) 21.179 19.364 ( -0.521 2.021 -0.008) 2.087 19.722 ( 1.968 -0.964 -1.390) 2.595 39.020 ( 1.103 -0.277 0.466) 1.229 61.896 ( -7.452 -12.341 3.059) 14.738 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.210 ( -7.326 -16.394 -15.197) 23.525 4.999 ( -14.425 25.615 -2.918) 29.542 6.291 ( -1.098 -2.103 5.928) 6.385 6.796 ( 3.747 15.051 10.786) 18.892 8.034 ( -7.558 -4.440 -16.619) 18.789 8.426 ( -5.868 7.531 -3.289) 10.098 9.064 ( 27.210 0.063 -7.864) 28.323 9.432 ( -9.171 -14.367 17.473) 24.409 19.369 ( -1.136 1.737 -0.104) 2.079 19.733 ( 1.355 -1.330 -1.182) 2.237 39.033 ( 0.779 -0.545 0.065) 0.953 61.706 ( -3.330 -7.779 -2.087) 8.716 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( -17.488 -16.116 -17.842) 29.731 4.840 ( -27.635 19.922 -7.167) 34.813 6.389 ( 9.980 -1.675 11.135) 15.046 7.074 ( 3.020 16.812 15.047) 22.764 7.694 ( -18.603 -8.676 -11.012) 23.294 8.338 ( -8.622 2.565 -5.469) 10.527 9.015 ( -5.059 -13.026 -6.264) 15.313 9.685 ( 24.052 1.222 8.967) 25.698 19.359 ( -1.617 1.297 -0.123) 2.076 19.733 ( 0.805 -1.330 -1.089) 1.898 39.038 ( 0.655 -0.569 -0.593) 1.051 61.611 ( 0.603 -3.872 -4.338) 5.846 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -23.659 -13.529 -14.104) 30.687 4.425 ( -35.937 14.287 -7.368) 39.369 6.637 ( 11.515 -0.987 16.249) 19.940 7.112 ( -30.244 -12.598 -3.451) 32.944 7.353 ( 2.454 14.014 12.925) 19.222 8.144 ( -7.409 -6.237 -8.829) 13.105 8.834 ( -5.621 -0.701 -4.718) 7.372 10.114 ( 22.817 -0.796 0.764) 22.843 19.339 ( -1.871 0.809 -0.058) 2.040 19.727 ( 0.416 -1.008 -1.096) 1.546 39.042 ( 0.758 -0.300 -1.314) 1.546 61.612 ( 4.056 -0.892 -3.171) 5.225 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -27.430 -9.023 -5.057) 29.315 3.859 ( -40.330 9.665 -5.252) 41.803 6.283 ( -44.263 -14.759 8.216) 47.377 6.953 ( 13.848 -0.650 7.383) 15.707 7.579 ( 2.068 10.007 14.493) 17.732 7.913 ( -4.539 -10.239 -11.106) 15.773 8.737 ( -7.445 5.287 -2.764) 9.541 10.453 ( 18.899 -0.590 -4.894) 19.532 19.312 ( -1.889 0.380 0.054) 1.928 19.720 ( 0.189 -0.481 -1.348) 1.444 39.048 ( 0.934 0.125 -2.115) 2.315 61.705 ( 6.976 0.990 2.399) 7.443 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -28.444 -2.210 9.984) 30.226 3.211 ( -42.220 6.176 -2.142) 42.723 5.354 ( -51.391 -12.488 8.646) 53.589 7.204 ( 10.787 -0.108 9.229) 14.197 7.633 ( -3.612 -6.827 -6.423) 10.045 7.806 ( 2.482 1.780 6.645) 7.314 8.639 ( -9.021 3.846 0.098) 9.807 10.716 ( 14.715 1.886 -8.809) 17.254 19.284 ( -1.721 0.069 0.153) 1.729 19.712 ( -0.048 0.102 -2.240) 2.243 39.057 ( 0.959 0.477 -3.161) 3.338 61.896 ( 9.977 1.702 14.341) 17.552 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -25.576 6.595 28.934) 39.177 2.540 ( -41.677 4.620 1.659) 41.965 4.388 ( -55.471 -5.468 12.771) 57.184 7.295 ( 2.463 -13.576 -5.049) 14.692 7.555 ( 1.182 7.871 1.868) 8.175 7.898 ( 1.451 1.391 5.933) 6.264 8.494 ( -8.988 -3.444 2.899) 10.052 10.931 ( 11.487 4.890 -9.807) 15.875 19.257 ( -1.439 -0.095 0.190) 1.454 19.696 ( -0.754 0.623 -4.418) 4.525 39.061 ( 0.740 0.580 -4.381) 4.480 62.223 ( 15.466 0.844 35.844) 39.047 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.000 32.413 5.031) 32.801 2.434 ( 0.000 16.314 46.636) 49.407 4.777 ( 0.000 43.635 34.349) 55.533 7.405 ( -0.000 3.233 -10.511) 10.997 7.471 ( -0.000 10.995 -14.487) 18.187 7.777 ( 0.000 -1.431 8.873) 8.988 8.752 ( 0.000 5.399 5.424) 7.652 10.473 ( -0.000 -16.373 -19.853) 25.733 19.255 ( 0.000 0.902 0.438) 1.003 19.496 ( -0.000 4.442 -5.749) 7.266 38.942 ( -0.000 -1.878 -1.872) 2.652 63.779 ( 0.000 -47.731 49.553) 68.803 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 21.085 29.899 5.749) 37.035 2.825 ( 6.500 11.011 45.331) 47.099 5.348 ( 2.317 41.455 23.055) 47.491 7.272 ( -10.901 8.440 -13.298) 19.155 7.572 ( 5.531 2.474 -5.345) 8.080 7.862 ( 5.577 -0.315 4.149) 6.959 8.749 ( -3.854 -2.405 3.042) 5.467 10.278 ( 2.254 -9.773 -19.474) 21.905 19.270 ( 0.467 1.053 0.377) 1.212 19.527 ( 1.352 3.583 -4.555) 5.951 38.925 ( 0.320 -0.939 -0.820) 1.287 63.438 ( -8.820 -41.898 39.708) 58.395 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 15.350 13.738 30.796) 37.051 3.292 ( 25.790 19.019 14.934) 35.354 5.833 ( 2.047 33.484 8.794) 34.680 7.136 ( -9.689 10.628 -8.563) 16.737 7.660 ( 6.022 -3.290 -0.355) 6.871 7.948 ( 2.980 0.568 0.167) 3.039 8.636 ( -3.590 -4.698 -3.417) 6.829 10.179 ( 2.264 -5.228 -13.851) 14.977 19.296 ( 0.895 1.413 0.363) 1.712 19.569 ( 1.941 2.436 -3.477) 4.668 38.929 ( 0.815 -0.021 0.390) 0.904 63.019 ( -12.112 -35.160 29.508) 47.472 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 13.442 -1.204 31.722) 34.473 4.095 ( 29.659 28.407 4.494) 41.313 6.112 ( -0.276 18.129 -6.103) 19.131 7.094 ( -6.594 11.837 -2.229) 13.731 7.692 ( 2.701 -4.814 3.772) 6.686 8.007 ( 4.252 3.308 -5.817) 7.928 8.547 ( -0.510 -1.422 -6.292) 6.470 10.106 ( -0.406 -5.644 -5.888) 8.166 19.330 ( 0.962 1.900 0.363) 2.160 19.609 ( 2.185 1.165 -2.611) 3.599 38.952 ( 1.096 0.429 1.405) 1.833 62.597 ( -12.213 -28.645 19.728) 36.863 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 14.872 -7.798 19.236) 25.534 4.835 ( 18.025 32.546 2.880) 37.315 6.180 ( 1.832 4.550 -8.510) 9.823 7.029 ( -10.943 5.543 -4.430) 13.042 7.789 ( 9.616 2.558 2.200) 10.190 8.110 ( 5.878 5.439 -8.211) 11.470 8.527 ( 0.161 1.546 -3.840) 4.143 9.985 ( -4.565 -9.142 1.632) 10.348 19.367 ( 0.552 2.388 0.326) 2.473 19.643 ( 2.264 -0.123 -1.991) 3.017 38.982 ( 1.026 0.344 1.867) 2.158 62.214 ( -10.480 -22.295 11.133) 27.034 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 11.625 -13.179 3.933) 18.009 5.310 ( -1.866 33.474 -0.642) 33.532 6.293 ( 9.409 2.330 1.748) 9.850 6.842 ( -11.277 5.051 -5.618) 13.574 7.991 ( 11.142 -1.311 -12.510) 16.804 8.276 ( 10.970 6.594 -1.212) 12.856 8.543 ( -0.483 4.649 -1.791) 5.005 9.778 ( -8.950 -13.256 8.255) 17.999 19.396 ( -0.259 2.671 0.241) 2.695 19.667 ( 2.227 -1.184 -1.573) 2.973 39.007 ( 0.727 -0.065 1.647) 1.801 61.901 ( -7.655 -16.109 4.346) 18.357 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 1.533 -14.982 -9.263) 17.681 5.490 ( -10.674 28.696 -0.189) 30.617 6.368 ( -6.513 1.094 0.159) 6.606 6.888 ( 7.318 13.677 7.064) 17.045 7.998 ( 0.343 -2.928 -15.654) 15.929 8.540 ( 6.477 0.508 -4.467) 7.885 8.612 ( 11.984 3.487 -4.889) 13.404 9.515 ( -9.799 -14.035 15.369) 23.005 19.410 ( -1.198 2.525 0.137) 2.798 19.683 ( 2.036 -1.703 -1.286) 2.949 39.019 ( 0.440 -0.462 0.904) 1.106 61.676 ( -4.243 -10.341 -0.146) 11.179 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -9.887 -12.091 -13.146) 20.415 5.483 ( -22.613 24.540 -3.546) 33.558 6.290 ( 1.844 -2.267 4.213) 5.128 7.236 ( 6.287 18.462 13.832) 23.910 7.832 ( -9.459 -4.221 -10.071) 14.447 8.470 ( -7.844 -4.796 -8.098) 12.252 8.807 ( 11.081 -5.073 -11.488) 16.748 9.435 ( 7.502 -6.217 17.175) 19.747 19.406 ( -1.929 1.920 0.073) 2.723 19.693 ( 1.637 -1.552 -1.082) 2.502 39.022 ( 0.358 -0.561 -0.051) 0.668 61.552 ( -0.639 -5.385 -1.951) 5.763 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( -18.418 -6.886 -8.853) 21.564 5.163 ( -34.575 16.580 -5.243) 38.701 6.440 ( 13.121 -1.831 6.901) 14.937 7.476 ( -21.526 -4.401 -3.457) 22.242 7.550 ( -0.141 15.257 17.525) 23.237 8.154 ( -9.797 -14.496 -10.822) 20.572 8.853 ( 1.550 3.004 -7.664) 8.377 9.713 ( 21.473 -4.182 5.739) 22.617 19.385 ( -2.279 1.117 0.080) 2.539 19.700 ( 1.102 -0.929 -0.970) 1.738 39.023 ( 0.505 -0.276 -0.974) 1.131 61.532 ( 2.889 -1.612 -0.678) 3.377 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -23.918 -0.662 0.881) 23.943 4.632 ( -39.824 9.645 -2.813) 41.072 6.666 ( 8.606 -6.968 -5.524) 12.375 6.934 ( -29.511 -2.916 16.940) 34.153 7.766 ( -1.235 13.683 14.647) 20.082 7.826 ( -5.715 -14.355 -13.109) 20.263 8.853 ( -2.776 4.126 -5.331) 7.290 10.072 ( 22.325 -1.767 -1.776) 22.465 19.353 ( -2.289 0.419 0.134) 2.331 19.705 ( 0.571 -0.146 -1.050) 1.204 39.027 ( 0.715 0.242 -1.850) 1.998 61.613 ( 6.286 0.712 4.209) 7.598 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -26.165 6.224 14.537) 30.572 3.990 ( -42.150 4.232 0.868) 42.371 6.101 ( -41.850 -5.992 0.128) 42.276 7.020 ( 10.993 -2.175 12.648) 16.898 7.569 ( -2.570 -10.707 -11.918) 16.226 7.905 ( -2.193 9.349 11.743) 15.170 8.781 ( -6.234 0.242 -3.651) 7.229 10.414 ( 19.178 2.132 -6.163) 20.257 19.318 ( -2.082 -0.017 0.183) 2.090 19.707 ( 0.054 0.566 -1.557) 1.657 39.035 ( 0.748 0.708 -2.827) 3.009 61.798 ( 9.899 1.387 13.482) 16.783 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -24.934 12.871 28.801) 40.210 3.305 ( -41.839 1.443 5.083) 42.171 5.315 ( -48.640 2.927 6.334) 49.138 7.100 ( 2.460 -12.076 -4.729) 13.200 7.532 ( 7.924 1.466 2.789) 8.527 7.980 ( -2.882 6.363 8.008) 10.626 8.610 ( -9.304 -5.267 -2.249) 10.925 10.711 ( 15.182 4.511 -8.912) 18.174 19.285 ( -1.763 -0.148 0.191) 1.780 19.702 ( -0.667 1.081 -2.821) 3.094 39.040 ( 0.491 0.879 -3.925) 4.052 62.100 ( 14.734 -0.063 27.804) 31.466 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 0.000 28.585 5.090) 29.035 3.051 ( 0.000 5.366 45.514) 45.829 5.822 ( 0.000 40.209 13.613) 42.450 7.375 ( -0.000 3.286 -11.380) 11.845 7.552 ( -0.000 9.301 -14.374) 17.121 7.815 ( 0.000 -2.336 8.886) 9.188 8.708 ( -0.000 -12.921 0.240) 12.923 10.131 ( -0.000 -0.735 -15.736) 15.753 19.276 ( 0.000 0.864 0.280) 0.908 19.536 ( -0.000 3.652 -3.624) 5.145 38.916 ( 0.000 -0.228 0.795) 0.827 63.247 ( 0.000 -41.590 32.607) 52.849 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 20.828 25.535 4.923) 33.318 3.293 ( 4.290 -1.247 40.563) 40.808 6.204 ( -2.619 32.888 0.548) 32.997 7.321 ( -4.963 6.980 -11.293) 14.173 7.567 ( 0.981 1.993 -5.773) 6.185 7.889 ( 5.082 -0.261 3.631) 6.252 8.546 ( -0.181 -14.588 -4.237) 15.192 10.105 ( 0.075 4.119 -9.414) 10.276 19.293 ( 0.837 0.953 0.244) 1.291 19.562 ( 0.619 3.065 -2.789) 4.190 38.927 ( 0.358 0.587 2.230) 2.333 62.923 ( -5.563 -37.605 24.937) 45.464 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.506 ( 7.653 -7.592 31.657) 33.442 3.816 ( 32.668 23.371 4.910) 40.466 6.346 ( -7.725 19.162 -13.073) 24.450 7.282 ( -4.685 8.763 -6.109) 11.664 7.598 ( 3.870 -0.837 -1.135) 4.119 7.976 ( 2.957 2.910 -0.820) 4.229 8.433 ( 3.613 -8.651 -5.769) 11.008 10.101 ( -2.519 3.301 -2.882) 5.055 19.326 ( 1.532 1.293 0.288) 2.025 19.589 ( 0.806 2.028 -2.161) 3.072 38.955 ( 0.531 0.987 3.132) 3.327 62.549 ( -8.006 -31.778 17.325) 37.069 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 10.307 -12.393 19.664) 25.427 4.661 ( 35.206 23.630 5.628) 42.773 6.261 ( -8.473 7.913 -15.785) 19.585 7.227 ( -8.063 5.913 -7.029) 12.222 7.679 ( 5.739 1.396 -1.556) 6.108 8.065 ( 3.710 6.383 -3.530) 8.183 8.441 ( 5.950 -3.854 -2.987) 7.693 10.041 ( -6.529 -0.366 2.769) 7.101 19.371 ( 1.697 1.863 0.375) 2.548 19.609 ( 0.887 0.667 -1.755) 2.076 38.987 ( 0.415 0.808 3.269) 3.392 62.185 ( -8.161 -25.045 10.424) 28.329 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 10.829 -14.463 6.882) 19.334 5.478 ( 24.554 27.629 5.966) 37.442 6.162 ( 1.049 1.738 -8.992) 9.219 7.072 ( -12.394 6.045 -8.600) 16.251 7.782 ( 6.938 -0.059 -7.095) 9.924 8.190 ( 5.434 4.760 -3.419) 7.992 8.513 ( 5.517 -0.465 -0.679) 5.578 9.888 ( -10.760 -4.853 7.244) 13.850 19.420 ( 1.047 2.592 0.464) 2.834 19.619 ( 1.178 -0.846 -1.521) 2.101 39.009 ( 0.124 0.247 2.668) 2.683 61.875 ( -6.780 -18.020 4.848) 19.855 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( 7.160 -12.794 -3.292) 15.026 5.870 ( -5.132 18.916 0.970) 19.624 6.437 ( 15.345 13.254 2.818) 20.471 6.909 ( -3.804 5.623 -4.940) 8.396 7.839 ( 5.571 -2.461 -12.056) 13.507 8.294 ( 6.685 -2.869 -2.895) 7.829 8.606 ( 4.119 3.224 -1.855) 5.550 9.651 ( -12.984 -8.333 10.760) 18.810 19.456 ( -0.500 3.032 0.489) 3.111 19.624 ( 1.914 -1.957 -1.328) 3.042 39.018 ( -0.113 -0.308 1.618) 1.651 61.645 ( -4.444 -11.315 1.091) 12.206 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -0.732 -7.484 -7.151) 10.377 5.937 ( -5.029 12.889 2.444) 14.049 6.426 ( -18.155 7.574 -4.145) 20.104 7.277 ( 19.608 17.046 10.789) 28.132 7.814 ( 1.161 -3.958 -12.565) 13.225 8.305 ( 4.107 -13.210 -4.832) 14.653 8.697 ( 2.995 6.520 -5.803) 9.228 9.423 ( -7.092 -9.285 12.673) 17.238 19.462 ( -2.050 2.266 0.364) 3.077 19.638 ( 2.438 -1.650 -1.022) 3.116 39.016 ( -0.111 -0.506 0.496) 0.717 61.512 ( -1.574 -5.545 -0.479) 5.784 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -9.912 -0.383 -3.964) 10.682 5.840 ( -26.288 11.989 -1.357) 28.925 6.269 ( 3.170 -2.196 1.057) 3.998 7.690 ( -6.476 -2.759 -8.445) 10.994 7.747 ( 5.985 18.304 16.083) 25.090 8.093 ( -7.817 -16.603 -6.377) 19.428 8.801 ( 4.802 6.614 -9.193) 12.301 9.399 ( 10.023 -8.437 8.672) 15.711 19.438 ( -2.601 0.893 0.244) 2.761 19.663 ( 2.006 -0.471 -0.737) 2.189 39.012 ( 0.134 -0.227 -0.451) 0.522 61.478 ( 1.568 -1.222 0.433) 2.035 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -17.411 6.576 4.266) 19.094 5.354 ( -36.433 3.779 0.121) 36.629 6.393 ( 11.765 -5.112 -1.965) 12.977 7.446 ( -19.458 0.120 3.408) 19.754 7.709 ( -8.982 -16.430 -5.700) 19.573 8.018 ( -3.282 16.360 11.122) 20.053 8.871 ( 1.308 2.886 -7.954) 8.561 9.655 ( 22.682 -3.473 1.212) 22.978 19.398 ( -2.554 -0.042 0.221) 2.564 19.688 ( 1.194 0.527 -0.645) 1.456 39.014 ( 0.432 0.360 -1.229) 1.352 61.544 ( 4.898 1.317 4.105) 6.525 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.169 ( -21.727 12.446 15.166) 29.274 4.713 ( -39.386 -2.405 3.331) 39.600 6.432 ( -2.395 -5.815 -9.932) 11.755 7.133 ( -18.686 2.708 15.173) 24.222 7.436 ( -2.419 -11.870 -7.606) 14.304 8.118 ( -5.239 10.864 9.238) 15.193 8.832 ( -3.041 -1.336 -6.755) 7.527 10.049 ( 23.341 1.746 -3.274) 23.634 19.354 ( -2.287 -0.431 0.227) 2.338 19.707 ( 0.388 1.172 -0.866) 1.508 39.022 ( 0.518 0.916 -2.027) 2.284 61.706 ( 8.543 1.862 10.775) 13.876 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -22.656 16.739 25.699) 38.131 4.017 ( -39.508 -4.341 6.820) 40.327 6.087 ( -30.903 6.159 -3.233) 31.676 6.970 ( -3.722 -9.672 -1.941) 10.543 7.399 ( 6.908 -1.750 7.078) 10.044 8.148 ( -4.829 6.747 6.270) 10.400 8.689 ( -7.255 -3.716 -6.181) 10.230 10.423 ( 19.160 3.210 -6.652) 20.535 19.315 ( -1.933 -0.383 0.214) 1.982 19.715 ( -0.450 1.487 -1.578) 2.215 39.029 ( 0.246 1.145 -2.955) 3.178 61.964 ( 12.822 0.123 20.359) 24.060 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.000 22.306 4.099) 22.680 3.382 ( 0.000 -7.632 37.255) 38.028 6.506 ( -0.000 24.812 -10.664) 27.006 7.345 ( -0.000 3.590 -11.636) 12.177 7.596 ( -0.000 6.061 -9.950) 11.651 7.837 ( 0.000 -2.979 8.797) 9.287 8.382 ( -0.000 -12.483 -4.276) 13.195 10.148 ( -0.000 8.732 -4.545) 9.844 19.294 ( 0.000 0.725 0.136) 0.738 19.578 ( -0.000 3.049 -2.062) 3.681 38.946 ( 0.000 1.216 3.645) 3.843 62.696 ( 0.000 -35.981 19.573) 40.961 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 3.172 -11.938 27.810) 30.430 3.564 ( 21.053 17.568 5.962) 28.061 6.563 ( -6.321 11.557 -20.357) 24.247 7.342 ( 0.538 4.670 -11.373) 12.306 7.592 ( -1.518 3.674 -0.387) 3.994 7.913 ( 6.265 -0.839 3.793) 7.371 8.291 ( 1.101 -3.842 -4.211) 5.806 10.206 ( -2.685 8.461 -0.256) 8.881 19.311 ( 1.199 0.753 0.125) 1.421 19.599 ( -0.004 2.469 -1.499) 2.888 38.978 ( 0.107 1.431 4.259) 4.494 62.399 ( -3.578 -31.350 14.076) 34.550 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( 5.655 -15.867 19.199) 25.541 4.249 ( 35.449 15.767 4.984) 39.116 6.409 ( -8.819 3.918 -18.767) 21.103 7.343 ( -1.991 6.804 -11.280) 13.323 7.625 ( 1.575 1.901 0.594) 2.539 8.031 ( 5.932 0.828 0.913) 6.059 8.304 ( 3.564 0.725 -2.704) 4.532 10.202 ( -6.922 5.470 2.884) 9.282 19.350 ( 2.249 0.982 0.179) 2.461 19.611 ( -0.320 1.511 -1.121) 1.909 39.009 ( -0.066 1.068 3.961) 4.103 62.092 ( -5.168 -24.846 8.957) 26.912 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( 8.198 -15.148 9.235) 19.544 5.090 ( 41.940 14.294 5.653) 44.668 6.229 ( -7.651 2.531 -11.575) 14.104 7.294 ( -8.255 9.452 -9.804) 15.926 7.677 ( 3.618 0.783 -3.884) 5.365 8.130 ( 4.727 -0.076 0.395) 4.744 8.391 ( 6.110 0.847 -0.760) 6.215 10.093 ( -11.513 1.197 4.513) 12.423 19.407 ( 2.802 1.415 0.270) 3.151 19.607 ( -0.683 0.317 -0.903) 1.175 39.027 ( -0.373 0.329 2.963) 3.005 61.821 ( -5.175 -17.509 4.680) 18.848 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 9.101 -10.546 1.760) 14.041 5.972 ( 35.952 14.822 7.595) 39.623 6.121 ( 1.531 0.973 -5.993) 6.261 7.157 ( -14.779 9.637 -7.061) 19.003 7.723 ( 3.098 1.303 -7.280) 8.018 8.189 ( 3.424 -2.896 1.143) 4.628 8.511 ( 7.165 0.555 -0.703) 7.221 9.874 ( -15.017 -3.026 4.779) 16.047 19.473 ( 2.454 2.190 0.449) 3.320 19.587 ( -0.660 -1.121 -0.860) 1.560 39.028 ( -0.572 -0.365 1.693) 1.824 61.616 ( -4.064 -10.315 1.639) 11.207 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 6.605 -3.363 -1.423) 7.547 6.047 ( -2.889 2.195 0.296) 3.640 6.829 ( 25.956 14.934 5.474) 30.442 6.926 ( -6.636 0.159 -5.510) 8.627 7.746 ( 0.658 3.526 -5.975) 6.969 8.197 ( 0.529 -4.332 2.805) 5.187 8.633 ( 6.753 1.457 -3.485) 7.737 9.581 ( -15.171 -6.294 4.182) 16.949 19.520 ( -1.443 2.653 0.778) 3.118 19.571 ( 2.534 -2.046 -1.013) 3.411 39.018 ( -0.488 -0.627 0.574) 0.980 61.495 ( -2.207 -4.132 0.147) 4.687 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 0.363 4.611 0.039) 4.625 6.033 ( 0.264 -2.215 0.330) 2.255 6.547 ( -25.565 3.165 -0.120) 25.761 7.402 ( 20.859 -12.721 -9.545) 26.230 7.885 ( 7.499 19.123 9.762) 22.742 8.142 ( -5.620 -0.467 4.134) 6.992 8.736 ( 5.447 3.077 -8.049) 10.195 9.311 ( -7.380 -9.235 3.090) 12.219 19.488 ( -2.659 -0.357 0.224) 2.692 19.619 ( 2.878 0.754 -0.312) 2.992 39.008 ( -0.134 -0.328 -0.188) 0.402 61.460 ( 0.168 0.386 0.452) 0.618 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.707 ( -7.756 11.679 5.430) 15.035 5.866 ( -20.097 -9.865 0.569) 22.395 6.242 ( -4.588 -0.206 -0.138) 4.594 7.361 ( 3.996 -17.351 -13.088) 22.098 7.982 ( -15.282 2.393 13.286) 20.391 8.290 ( -0.647 22.284 7.842) 23.632 8.807 ( 4.058 2.042 -10.461) 11.405 9.269 ( 14.645 -8.075 0.858) 16.746 19.437 ( -2.473 -1.081 0.191) 2.706 19.670 ( 1.852 1.513 -0.202) 2.400 39.008 ( 0.270 0.336 -0.685) 0.809 61.511 ( 2.982 2.864 2.752) 4.966 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -14.747 16.547 13.233) 25.814 5.278 ( -32.197 -13.055 3.332) 34.903 6.269 ( 6.615 -2.937 -4.063) 8.300 7.169 ( 0.203 -16.422 -12.357) 20.553 7.762 ( -23.102 8.906 16.304) 29.645 8.370 ( -8.680 9.812 5.578) 14.238 8.810 ( 0.237 0.317 -10.608) 10.616 9.623 ( 26.570 -0.004 -0.566) 26.576 19.387 ( -2.206 -1.131 0.211) 2.488 19.709 ( 0.882 1.783 -0.327) 2.016 39.017 ( 0.428 0.981 -1.182) 1.594 61.641 ( 6.252 3.147 7.127) 9.989 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( -18.689 18.739 20.939) 33.747 4.601 ( -33.734 -11.418 5.716) 36.070 6.316 ( 1.649 0.643 -6.138) 6.388 6.949 ( -3.160 -14.038 -9.740) 17.375 7.558 ( -18.268 9.895 18.557) 27.857 8.313 ( -6.304 2.296 4.037) 7.830 8.736 ( -4.212 1.131 -11.445) 12.248 10.062 ( 23.258 1.338 -2.803) 23.464 19.343 ( -1.869 -0.787 0.201) 2.038 19.731 ( -0.060 1.772 -0.746) 1.924 39.028 ( 0.163 1.268 -1.860) 2.257 61.845 ( 10.005 1.157 13.374) 16.742 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 0.000 -17.141 25.427) 30.665 3.549 ( 0.000 14.689 3.148) 15.023 6.590 ( -0.000 2.487 -23.576) 23.707 7.323 ( -0.000 3.986 -11.315) 11.996 7.649 ( -0.000 3.770 -1.202) 3.957 7.849 ( 0.000 -3.216 8.566) 9.150 8.280 ( -0.000 5.091 -4.544) 6.823 10.326 ( 0.000 9.123 1.535) 9.251 19.307 ( 0.000 0.521 0.057) 0.524 19.619 ( -0.000 2.269 -0.937) 2.455 39.011 ( 0.000 1.416 4.422) 4.643 62.186 ( 0.000 -27.683 10.525) 29.616 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 1.996 -17.721 18.178) 25.465 3.886 ( 22.282 10.648 3.724) 24.974 6.461 ( -4.492 -0.121 -17.789) 18.348 7.340 ( 2.445 5.435 -11.695) 13.126 7.661 ( -1.663 2.241 1.245) 3.056 7.909 ( 5.932 -3.701 6.565) 9.591 8.325 ( -0.615 7.923 -4.095) 8.940 10.377 ( -4.476 6.765 2.062) 8.369 19.324 ( 1.472 0.479 0.055) 1.549 19.632 ( -0.468 1.659 -0.518) 1.800 39.038 ( -0.204 0.848 3.651) 3.754 61.957 ( -2.281 -21.673 7.047) 22.904 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 4.934 -14.494 11.027) 18.868 4.514 ( 37.643 7.158 4.010) 38.526 6.321 ( -5.761 1.587 -8.772) 10.614 7.406 ( 1.860 9.225 -11.501) 14.860 7.652 ( -1.315 0.581 0.709) 1.603 8.008 ( 7.068 -4.939 6.181) 10.609 8.373 ( -0.150 6.079 -2.654) 6.635 10.313 ( -9.574 2.786 1.244) 10.048 19.366 ( 2.783 0.511 0.044) 2.829 19.629 ( -1.135 0.904 -0.188) 1.463 39.049 ( -0.532 -0.033 2.328) 2.388 61.752 ( -3.303 -14.468 3.936) 15.353 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( 8.183 -8.123 5.528) 12.787 5.302 ( 45.311 3.133 3.192) 45.532 6.223 ( -6.093 3.220 -1.743) 7.109 7.438 ( -7.493 10.330 -4.144) 13.417 7.661 ( 3.261 1.787 -4.873) 6.129 8.095 ( 5.497 -4.903 6.566) 9.867 8.425 ( 2.734 2.276 -1.614) 3.907 10.117 ( -14.086 -1.260 -0.511) 14.152 19.427 ( 3.682 0.444 -0.062) 3.709 19.609 ( -1.832 0.321 0.142) 1.865 39.041 ( -0.720 -0.786 0.996) 1.459 61.598 ( -3.316 -7.266 1.457) 8.119 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 10.106 -0.614 2.323) 10.387 6.066 ( 29.363 -3.454 -3.247) 29.744 6.182 ( 10.000 2.038 4.493) 11.151 7.306 ( -15.849 4.983 3.194) 16.918 7.750 ( 3.783 7.148 -4.574) 9.291 8.162 ( 3.265 -1.407 6.662) 7.551 8.502 ( 6.239 -0.428 -2.833) 6.866 9.816 ( -16.869 -3.983 -2.585) 17.525 19.494 ( 3.837 -0.549 -0.506) 3.909 19.579 ( -2.215 0.852 0.731) 2.483 39.022 ( -0.586 -1.026 0.085) 1.185 61.509 ( -2.567 -1.129 -0.131) 2.807 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 9.125 6.451 1.530) 11.279 6.044 ( -4.816 -2.457 -0.016) 5.407 6.657 ( 23.083 -16.400 -6.600) 29.075 7.080 ( -11.559 1.355 6.571) 13.365 7.933 ( 8.776 11.865 5.901) 15.894 8.241 ( 0.174 5.340 7.214) 8.977 8.598 ( 7.697 -0.662 -6.627) 10.179 9.461 ( -16.974 -5.010 -4.562) 18.277 19.504 ( -0.417 -2.736 -0.532) 2.819 19.595 ( 1.484 2.816 0.835) 3.291 39.006 ( -0.158 -0.645 -0.291) 0.725 61.486 ( -1.189 3.182 -0.569) 3.444 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.880 ( 4.600 12.552 3.307) 13.771 5.890 ( -5.968 -12.515 -1.032) 13.904 6.480 ( -14.394 -9.619 0.441) 17.318 7.046 ( 5.741 -12.262 -5.411) 14.581 8.234 ( -1.111 4.357 18.855) 19.384 8.431 ( 12.928 18.259 3.256) 22.608 8.694 ( 7.345 1.816 -8.703) 11.532 9.125 ( -11.610 -6.107 -7.105) 14.919 19.457 ( -1.642 -2.344 -0.064) 2.863 19.656 ( 1.987 2.434 0.365) 3.164 39.003 ( 0.327 0.129 -0.354) 0.499 61.525 ( 0.795 5.285 0.376) 5.358 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( -2.880 17.175 7.848) 19.102 5.515 ( -16.457 -23.357 -0.609) 28.579 6.240 ( -6.043 -1.327 1.404) 6.345 6.935 ( 1.732 -15.182 -8.618) 17.543 8.235 ( -12.412 7.403 18.707) 23.639 8.603 ( -4.981 -2.974 1.469) 5.985 8.820 ( -7.069 15.930 -17.212) 24.494 9.142 ( 28.138 -2.581 2.530) 28.369 19.407 ( -1.733 -1.907 0.093) 2.578 19.709 ( 1.340 2.187 0.081) 2.566 39.015 ( 0.549 0.870 -0.470) 1.132 61.619 ( 3.398 5.125 2.821) 6.765 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.176 ( -11.020 18.729 14.123) 25.917 4.951 ( -22.244 -19.480 0.864) 29.581 6.223 ( 3.653 -0.732 -0.118) 3.727 6.765 ( 0.626 -14.771 -8.691) 17.150 8.128 ( -20.251 11.242 19.646) 30.372 8.433 ( -7.537 -5.061 2.092) 9.317 8.772 ( -3.282 8.415 -20.890) 22.759 9.642 ( 26.139 0.795 2.672) 26.287 19.363 ( -1.539 -1.272 0.123) 2.000 19.744 ( 0.458 1.859 -0.270) 1.933 39.031 ( 0.306 1.218 -0.870) 1.528 61.764 ( 6.555 2.814 6.636) 9.743 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 -16.778 15.992) 23.178 3.787 ( 0.000 6.789 3.056) 7.445 6.435 ( -0.000 0.758 -11.282) 11.307 7.312 ( -0.000 4.406 -10.691) 11.563 7.702 ( 0.000 1.613 1.064) 1.933 7.854 ( 0.000 -3.411 8.050) 8.743 8.400 ( -0.000 8.137 -2.965) 8.661 10.482 ( 0.000 4.826 0.276) 4.834 19.315 ( 0.000 0.269 0.040) 0.272 19.650 ( 0.000 1.276 -0.060) 1.278 39.059 ( 0.000 0.134 2.504) 2.507 61.812 ( 0.000 -16.150 4.895) 16.876 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 2.077 -12.062 11.864) 17.046 4.048 ( 22.633 2.687 3.525) 23.063 6.399 ( -3.367 4.085 -2.498) 5.854 7.357 ( 4.859 5.731 -10.496) 12.908 7.704 ( -1.870 0.929 2.027) 2.910 7.890 ( 4.238 -4.091 7.666) 9.668 8.446 ( -1.636 5.359 -0.934) 5.680 10.464 ( -5.429 1.317 -2.171) 5.994 19.331 ( 1.595 0.152 0.024) 1.602 19.654 ( -0.699 0.700 0.312) 1.038 39.060 ( -0.342 -0.791 1.040) 1.351 61.688 ( -1.528 -9.348 2.639) 9.833 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 5.618 -5.598 7.372) 10.829 4.598 ( 37.806 -1.798 3.232) 37.987 6.374 ( -6.110 6.147 3.340) 9.288 7.498 ( 7.679 8.005 -8.262) 13.831 7.668 ( -4.001 -0.465 2.688) 4.842 7.976 ( 6.303 -3.594 8.136) 10.901 8.443 ( -2.107 1.308 -0.172) 2.485 10.306 ( -10.676 -1.911 -4.662) 11.805 19.371 ( 2.900 -0.052 -0.092) 2.902 19.643 ( -1.369 0.262 0.676) 1.549 39.042 ( -0.541 -1.486 -0.134) 1.587 61.602 ( -2.376 -2.521 0.439) 3.492 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 9.792 0.425 3.181) 10.304 5.271 ( 43.368 -7.842 1.151) 44.086 6.327 ( -8.293 5.517 4.751) 11.036 7.556 ( -9.141 -1.721 6.790) 11.516 7.694 ( 8.138 5.795 -4.884) 11.120 8.109 ( 6.568 1.534 8.381) 10.758 8.416 ( 0.895 -2.239 -2.437) 3.428 10.035 ( -14.761 -3.134 -6.567) 16.457 19.423 ( 3.430 -0.686 -0.391) 3.519 19.623 ( -1.619 0.429 1.105) 2.006 39.016 ( -0.404 -1.600 -0.637) 1.769 61.560 ( -2.646 3.179 -1.465) 4.388 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 13.144 4.942 -0.270) 14.045 5.838 ( 32.932 -17.030 -2.723) 37.175 6.251 ( -5.315 2.597 3.228) 6.739 7.352 ( -14.075 -5.088 9.075) 17.503 7.868 ( 9.073 2.823 2.119) 9.736 8.299 ( 4.783 7.622 10.154) 13.567 8.429 ( 6.247 -2.494 -7.764) 10.273 9.706 ( -17.187 -1.047 -7.621) 18.830 19.457 ( 2.093 -2.124 -0.675) 3.057 19.618 ( -0.382 1.641 1.397) 2.189 38.997 ( 0.044 -1.072 -0.486) 1.178 61.559 ( -2.344 6.933 -2.742) 7.815 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 14.461 8.140 -2.410) 16.768 5.868 ( -3.156 -19.606 0.297) 19.861 6.306 ( 9.944 -8.462 -5.130) 14.029 7.086 ( -13.859 -5.862 8.730) 17.397 8.134 ( 18.540 1.046 4.925) 19.211 8.432 ( 2.472 -1.412 8.986) 9.426 8.542 ( 6.878 5.692 -5.562) 10.519 9.390 ( -17.961 6.603 -8.137) 20.795 19.445 ( -0.093 -2.788 -0.376) 2.815 19.654 ( 1.382 2.313 0.983) 2.868 38.994 ( 0.561 -0.171 -0.054) 0.589 61.592 ( -1.371 8.386 -3.042) 9.025 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.137 ( 12.868 10.622 -2.615) 16.890 5.503 ( -11.847 -25.838 1.005) 28.442 6.279 ( -0.373 -6.045 -4.515) 7.554 6.853 ( -8.985 -8.043 4.222) 12.777 8.448 ( 12.611 -5.464 -13.138) 19.013 8.502 ( -1.429 5.015 19.395) 20.084 8.670 ( 15.270 -9.995 2.202) 18.383 9.207 ( -14.425 22.782 -7.264) 27.926 19.408 ( -0.903 -2.428 -0.092) 2.592 19.706 ( 1.577 2.133 0.457) 2.692 39.010 ( 0.820 0.659 0.192) 1.070 61.651 ( 0.362 7.597 -2.125) 7.896 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( 7.213 12.493 -0.000) 14.426 5.018 ( -14.175 -24.552 -0.000) 28.350 6.203 ( -1.425 -2.468 -0.000) 2.849 6.647 ( -5.648 -9.782 0.000) 11.296 8.448 ( -3.976 -6.886 -0.000) 7.951 8.469 ( -0.501 -0.867 -0.000) 1.002 8.845 ( 1.614 2.796 0.000) 3.228 9.343 ( 8.819 15.275 -0.000) 17.638 19.370 ( -0.985 -1.706 0.000) 1.970 19.749 ( 0.982 1.701 0.000) 1.964 39.032 ( 0.607 1.052 0.000) 1.214 61.735 ( 2.811 4.868 -0.000) 5.621 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 0.000 -8.050 10.719) 13.406 3.870 ( 0.000 -1.202 3.528) 3.727 6.499 ( 0.000 8.380 5.402) 9.971 7.316 ( -0.000 4.843 -10.004) 11.115 7.736 ( 0.000 0.267 2.867) 2.879 7.849 ( 0.000 -3.708 7.372) 8.252 8.501 ( 0.000 1.697 1.486) 2.256 10.495 ( -0.000 -1.332 -5.187) 5.356 19.318 ( 0.000 -0.019 0.050) 0.054 19.667 ( 0.000 0.188 0.702) 0.727 39.053 ( -0.000 -1.639 -0.299) 1.666 61.646 ( 0.000 -3.080 0.794) 3.180 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 2.660 -3.586 6.764) 8.105 4.050 ( 22.251 -5.631 3.648) 23.240 6.585 ( -5.433 10.409 9.762) 15.269 7.388 ( 7.026 5.501 -8.515) 12.333 7.729 ( -2.302 -1.389 4.208) 4.994 7.887 ( 4.754 -2.147 7.471) 9.112 8.482 ( -2.243 -3.270 1.901) 4.397 10.396 ( -5.637 -3.234 -7.078) 9.609 19.331 ( 1.545 -0.207 -0.001) 1.558 19.664 ( -0.668 -0.274 1.063) 1.285 39.028 ( -0.215 -2.166 -1.088) 2.433 61.634 ( -1.289 3.154 -1.505) 3.725 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 7.038 -0.358 1.209) 7.150 4.498 ( 36.131 -10.862 2.794) 37.832 6.584 ( -10.044 8.433 8.359) 15.552 7.558 ( 9.296 3.301 -5.985) 11.538 7.664 ( -4.338 -4.763 7.942) 10.226 8.045 ( 8.543 4.331 8.507) 12.811 8.383 ( -2.580 -7.498 -1.439) 8.059 10.193 ( -10.468 -2.818 -7.372) 13.110 19.363 ( 2.574 -0.607 -0.199) 2.652 19.651 ( -1.003 -0.349 1.431) 1.782 38.998 ( -0.107 -2.083 -1.039) 2.330 61.649 ( -2.355 8.200 -3.988) 9.418 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 12.427 1.197 -4.454) 13.255 5.023 ( 38.572 -17.669 0.499) 42.429 6.483 ( -12.335 4.422 5.832) 14.343 7.516 ( -8.052 -7.234 7.006) 12.894 7.713 ( 8.246 -3.518 0.150) 8.966 8.274 ( 2.176 -7.229 -7.533) 10.664 8.316 ( 8.751 9.882 10.769) 17.035 9.942 ( -13.646 0.970 -6.358) 15.086 19.397 ( 2.468 -1.450 -0.472) 2.901 19.642 ( -0.515 0.275 1.707) 1.804 38.979 ( 0.311 -1.391 -0.324) 1.462 61.678 ( -3.079 11.219 -6.203) 13.184 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 17.471 1.560 -9.196) 19.805 5.377 ( 25.922 -26.951 -2.147) 37.456 6.328 ( -10.054 1.648 3.674) 10.831 7.294 ( -12.480 -8.374 9.998) 18.051 7.811 ( 13.013 -8.738 -5.776) 16.704 8.282 ( 8.060 -3.671 -5.034) 10.187 8.570 ( 3.865 7.258 10.601) 13.416 9.724 ( -14.142 9.638 -4.659) 17.737 19.407 ( 1.138 -2.371 -0.478) 2.673 19.659 ( 0.813 1.227 1.523) 2.118 38.981 ( 0.812 -0.391 0.546) 1.053 61.709 ( -3.202 11.868 -7.614) 14.460 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 20.920 1.166 -12.470) 24.382 5.309 ( 3.479 -33.001 -1.535) 33.219 6.245 ( -3.033 1.717 -0.112) 3.487 7.029 ( -13.826 -7.465 9.698) 18.465 7.961 ( 21.075 -12.457 -13.856) 28.130 8.409 ( 10.240 -3.060 0.530) 10.700 8.653 ( -2.605 0.332 12.089) 12.371 9.635 ( -12.306 20.597 -2.522) 24.125 19.390 ( 0.025 -2.506 -0.253) 2.519 19.701 ( 1.579 1.569 0.916) 2.407 39.002 ( 1.080 0.478 1.027) 1.565 61.737 ( -2.473 10.322 -7.796) 13.170 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 0.000 -2.642 3.458) 4.352 3.794 ( 0.000 -9.672 3.520) 10.292 6.810 ( 0.000 11.972 14.115) 18.508 7.333 ( -0.000 5.185 -9.437) 10.768 7.770 ( 0.000 0.309 5.457) 5.466 7.834 ( 0.000 -3.802 6.961) 7.932 8.450 ( 0.000 -9.028 1.587) 9.166 10.378 ( -0.000 -3.669 -7.118) 8.008 19.315 ( -0.000 -0.330 0.038) 0.332 19.670 ( 0.000 -0.820 1.434) 1.652 39.001 ( -0.000 -2.472 -1.328) 2.806 61.693 ( -0.000 8.727 -4.312) 9.734 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 3.382 -2.817 -2.654) 5.140 3.883 ( 21.537 -14.303 3.231) 26.055 6.875 ( -8.953 6.445 9.947) 14.854 7.415 ( 6.920 3.107 -7.561) 10.710 7.718 ( -4.802 -4.247 7.405) 9.795 7.969 ( 9.880 4.793 8.384) 13.816 8.319 ( -2.147 -12.741 -1.752) 13.039 10.275 ( -5.202 -2.306 -4.924) 7.525 19.323 ( 1.343 -0.566 -0.057) 1.459 19.663 ( -0.416 -1.075 1.824) 2.157 38.973 ( 0.079 -2.195 -0.694) 2.304 61.764 ( -1.523 13.123 -7.665) 15.274 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 8.912 -3.864 -9.645) 13.688 4.218 ( 33.743 -19.456 2.180) 39.011 6.749 ( -11.749 -1.641 6.032) 13.309 7.483 ( 3.984 -3.616 -11.350) 12.561 7.624 ( -3.024 -7.982 12.386) 15.042 8.145 ( -0.633 -7.899 -10.876) 13.456 8.291 ( 11.410 9.041 14.242) 20.366 10.131 ( -8.906 1.465 -1.726) 9.189 19.344 ( 1.985 -1.064 -0.272) 2.269 19.654 ( -0.279 -0.789 2.153) 2.310 38.959 ( 0.447 -1.396 0.505) 1.551 61.828 ( -3.114 15.475 -10.962) 19.218 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 15.640 -5.115 -15.525) 22.623 4.592 ( 33.097 -25.848 -0.186) 41.995 6.522 ( -10.353 -8.409 5.317) 14.358 7.377 ( -3.204 -10.076 -3.019) 10.995 7.553 ( 0.442 -8.323 -1.311) 8.437 8.098 ( 6.206 -2.059 -8.156) 10.453 8.596 ( 6.747 6.549 11.922) 15.184 10.014 ( -9.722 9.051 1.245) 13.341 19.360 ( 1.582 -1.800 -0.414) 2.432 19.661 ( 0.567 0.021 2.144) 2.217 38.966 ( 0.902 -0.385 1.657) 1.926 61.866 ( -4.353 15.382 -13.411) 20.866 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 21.754 -6.115 -19.381) 29.770 4.755 ( 19.509 -33.377 -3.346) 38.804 6.338 ( -3.789 -6.329 5.577) 9.248 7.180 ( -7.601 -11.836 6.282) 15.405 7.499 ( 7.945 -7.703 -15.233) 18.829 8.209 ( 9.845 -0.789 -4.484) 10.847 8.718 ( -0.178 -1.576 10.410) 10.530 10.006 ( -8.493 18.123 3.158) 20.262 19.358 ( 0.722 -2.239 -0.325) 2.374 19.691 ( 1.439 0.728 1.588) 2.263 38.993 ( 1.159 0.435 2.182) 2.509 61.869 ( -4.730 13.064 -14.304) 19.941 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -0.000 -6.197 -7.765) 9.935 3.543 ( -0.000 -18.366 2.587) 18.547 6.991 ( 0.000 -9.451 5.472) 10.921 7.357 ( -0.000 5.147 -9.310) 10.638 7.821 ( 0.000 -3.528 7.146) 7.969 7.918 ( 0.000 10.447 9.828) 14.343 8.193 ( -0.000 -13.420 -3.463) 13.860 10.290 ( -0.000 -1.151 -0.252) 1.178 19.305 ( -0.000 -0.635 -0.036) 0.636 19.661 ( 0.000 -1.521 2.305) 2.761 38.951 ( 0.000 -1.806 0.435) 1.857 61.887 ( -0.000 17.028 -12.161) 20.925 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 4.193 -9.464 -14.495) 17.812 3.541 ( 21.061 -22.484 2.191) 30.885 6.781 ( -3.739 -24.713 -1.133) 25.020 7.382 ( 1.344 4.163 -11.873) 12.654 7.703 ( -8.550 -5.073 10.435) 14.413 8.050 ( -1.195 -6.345 -9.301) 11.323 8.235 ( 12.362 11.202 11.782) 20.423 10.262 ( -4.070 1.587 4.876) 6.547 19.308 ( 1.048 -0.884 -0.156) 1.380 19.656 ( -0.042 -1.497 2.787) 3.164 38.944 ( 0.333 -1.014 1.942) 2.216 61.988 ( -2.148 19.038 -16.751) 25.450 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 11.244 -11.621 -20.732) 26.292 3.774 ( 31.386 -26.667 1.074) 41.199 6.423 ( -1.191 -33.981 -3.754) 34.208 7.344 ( -5.100 4.085 -15.483) 16.805 7.561 ( -4.800 -8.366 11.960) 15.365 7.977 ( 1.982 -0.546 -9.258) 9.483 8.567 ( 9.263 6.706 8.278) 14.117 10.247 ( -5.569 7.681 8.660) 12.845 19.317 ( 1.368 -1.358 -0.312) 1.953 19.659 ( 0.460 -0.919 2.999) 3.170 38.959 ( 0.743 -0.114 3.178) 3.265 62.040 ( -4.441 18.551 -20.343) 27.887 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 19.262 -12.168 -24.590) 33.522 4.008 ( 27.558 -32.067 -2.096) 42.334 6.116 ( 8.286 -33.398 -2.207) 34.481 7.171 ( -8.470 -3.543 -6.305) 11.138 7.471 ( -4.444 -0.243 0.043) 4.451 8.030 ( 7.561 0.643 -7.264) 10.505 8.715 ( 2.221 -2.863 6.499) 7.441 10.312 ( -4.978 15.442 9.207) 18.655 19.321 ( 1.010 -1.832 -0.318) 2.116 19.680 ( 1.217 -0.094 2.585) 2.858 38.991 ( 0.980 0.558 3.577) 3.751 62.029 ( -6.038 15.624 -21.753) 27.454 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.000 -14.450 -18.986) 23.860 3.119 ( -0.000 -26.026 1.482) 26.068 6.441 ( -0.000 -40.773 -10.458) 42.093 7.374 ( -0.000 4.618 -9.939) 10.960 7.817 ( 0.000 -3.291 7.814) 8.478 7.969 ( -0.000 -7.092 -0.869) 7.145 8.267 ( 0.000 15.836 0.716) 15.852 10.351 ( 0.000 2.905 11.605) 11.963 19.289 ( -0.000 -0.893 -0.168) 0.909 19.653 ( 0.000 -1.756 3.529) 3.942 38.946 ( 0.000 -0.353 3.543) 3.560 62.124 ( -0.000 21.133 -22.871) 31.140 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 5.350 -17.542 -23.996) 30.202 3.044 ( 20.950 -28.874 1.290) 35.697 5.952 ( 1.778 -48.006 -14.500) 50.179 7.387 ( 0.727 5.806 -12.314) 13.633 7.679 ( -11.587 -7.146 12.027) 18.165 7.926 ( 0.518 -0.752 -5.695) 5.768 8.492 ( 8.970 8.123 -1.919) 12.252 10.435 ( -2.092 7.022 15.794) 17.411 19.286 ( 0.739 -1.102 -0.269) 1.354 19.655 ( 0.319 -1.477 4.083) 4.353 38.967 ( 0.383 0.334 4.685) 4.712 62.200 ( -3.066 20.900 -27.988) 35.065 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 14.351 -17.663 -27.811) 35.936 3.198 ( 28.754 -31.640 -0.174) 42.755 5.497 ( 10.033 -48.406 -13.425) 51.226 7.331 ( -10.946 2.179 -6.619) 12.976 7.517 ( -1.512 -3.111 5.977) 6.906 7.923 ( 2.293 1.641 -7.932) 8.418 8.640 ( 4.849 -2.635 -0.342) 5.530 10.562 ( -2.207 12.863 14.543) 19.541 19.287 ( 0.894 -1.443 -0.299) 1.723 19.671 ( 0.926 -0.735 3.940) 4.114 39.002 ( 0.603 0.784 4.863) 4.963 62.190 ( -5.994 17.835 -30.162) 35.550 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -0.000 -21.703 -25.803) 33.717 2.559 ( -0.000 -31.306 1.371) 31.336 5.348 ( -0.000 -54.521 -19.616) 57.942 7.370 ( -0.000 4.014 -11.044) 11.751 7.819 ( 0.000 -3.653 8.445) 9.201 7.862 ( 0.000 -5.945 4.122) 7.234 8.450 ( -0.000 8.232 -14.774) 16.913 10.600 ( 0.000 8.057 19.821) 21.396 19.268 ( -0.000 -1.044 -0.308) 1.088 19.656 ( 0.000 -1.583 5.134) 5.373 38.991 ( 0.000 0.767 5.619) 5.671 62.306 ( -0.000 21.599 -35.148) 41.254 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 7.180 -22.373 -27.773) 36.379 2.445 ( 20.914 -32.448 1.540) 38.634 4.758 ( 6.695 -56.343 -19.749) 60.078 7.393 ( 2.799 5.280 -12.124) 13.517 7.624 ( -13.167 -8.779 12.436) 20.127 7.892 ( 1.420 0.213 -2.154) 2.588 8.504 ( 5.846 -0.005 -11.561) 12.955 10.769 ( -0.473 10.719 17.733) 20.726 19.261 ( 0.492 -1.159 -0.326) 1.301 19.669 ( 0.543 -1.141 5.510) 5.653 39.027 ( 0.209 0.988 5.558) 5.649 62.317 ( -4.093 19.341 -39.081) 43.797 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 -24.800 -24.530) 34.882 1.929 ( -0.000 -33.702 2.787) 33.817 4.024 ( -0.000 -60.644 -21.751) 64.427 7.350 ( -0.000 4.021 -11.776) 12.443 7.786 ( 0.000 -7.742 8.995) 11.868 7.809 ( 0.000 -4.700 8.571) 9.775 8.388 ( -0.000 2.809 -20.772) 20.961 10.945 ( 0.000 9.514 16.782) 19.292 19.244 ( -0.000 -1.023 -0.367) 1.086 19.678 ( 0.000 -1.171 6.706) 6.807 39.059 ( 0.000 1.040 5.284) 5.386 62.365 ( -0.000 18.821 -46.009) 49.710 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 -0.000 14.554) 14.554 0.345 ( 0.000 -0.000 14.554) 14.554 2.401 ( 0.000 -0.000 93.307) 93.307 7.251 ( -0.000 0.000 -11.458) 11.458 7.251 ( -0.000 0.000 -11.458) 11.458 7.795 ( 0.000 -0.000 8.761) 8.761 7.795 ( 0.000 -0.000 8.761) 8.761 11.682 ( -0.000 0.000 -16.928) 16.928 19.212 ( 0.000 -0.000 0.439) 0.439 19.212 ( 0.000 -0.000 0.439) 0.439 39.123 ( -0.000 0.000 -0.617) 0.617 66.596 ( 0.000 -0.000 0.130) 0.130 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 36.027 20.800 12.373) 43.401 0.930 ( 27.342 15.786 11.109) 33.469 2.943 ( 13.170 7.604 84.321) 85.682 7.066 ( -5.950 -3.435 -11.258) 13.189 7.411 ( 10.259 5.923 -11.280) 16.358 7.918 ( 4.067 2.348 6.770) 8.240 7.954 ( 11.265 6.504 3.705) 13.526 11.436 ( -12.084 -6.977 -15.090) 20.552 19.215 ( 0.230 0.133 0.405) 0.484 19.314 ( 7.150 4.128 -4.919) 9.611 39.080 ( -2.828 -1.633 -0.798) 3.361 65.717 ( -62.288 -35.962 46.004) 85.378 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 28.608 16.517 10.318) 34.607 1.799 ( 34.678 20.021 22.656) 46.008 3.677 ( 22.870 13.204 64.919) 70.084 6.889 ( -5.387 -3.110 -10.825) 12.485 7.616 ( 11.705 6.758 -9.904) 16.756 8.034 ( 3.879 2.240 5.076) 6.770 8.180 ( 5.097 2.943 6.006) 8.409 11.096 ( -10.777 -6.222 -18.277) 22.112 19.226 ( 0.591 0.341 0.374) 0.778 19.443 ( 6.110 3.528 -6.888) 9.861 39.014 ( -2.123 -1.225 -1.774) 3.026 64.626 ( -51.564 -29.771 60.517) 84.897 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 28.237 16.303 9.532) 33.970 2.654 ( 29.642 17.114 32.486) 47.190 4.514 ( 30.067 17.359 43.268) 55.475 6.731 ( -4.567 -2.637 -10.122) 11.413 7.849 ( 12.006 6.932 -10.544) 17.418 8.136 ( 3.294 1.902 3.897) 5.446 8.215 ( -5.078 -2.932 11.248) 12.685 10.806 ( -7.035 -4.061 -21.905) 23.362 19.245 ( 0.888 0.513 0.333) 1.078 19.538 ( 4.719 2.725 -5.751) 7.923 38.975 ( -0.568 -0.328 -2.262) 2.355 63.845 ( -38.739 -22.366 50.532) 67.486 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 26.477 15.286 7.932) 31.585 3.408 ( 23.682 13.673 35.043) 44.450 5.389 ( 33.087 19.103 25.909) 46.162 6.597 ( -3.707 -2.140 -8.782) 9.769 8.010 ( -3.701 -2.137 3.673) 5.635 8.110 ( 2.386 1.378 -5.327) 5.997 8.216 ( 2.368 1.367 3.061) 4.104 10.587 ( -4.779 -2.759 -19.292) 20.066 19.268 ( 1.049 0.606 0.256) 1.238 19.614 ( 3.782 2.183 -4.132) 6.012 38.968 ( 0.668 0.386 -1.816) 1.973 63.247 ( -30.392 -17.547 36.647) 50.741 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( 22.914 13.229 5.249) 26.974 4.022 ( 18.160 10.485 29.185) 35.937 6.171 ( 25.307 14.611 13.345) 32.125 6.490 ( -2.773 -1.601 -6.266) 7.037 7.829 ( -7.223 -4.170 10.190) 13.168 8.229 ( 7.801 4.504 -17.678) 19.840 8.268 ( 1.200 0.693 2.208) 2.607 10.408 ( -5.686 -3.283 -11.416) 13.170 19.293 ( 1.021 0.589 0.135) 1.186 19.676 ( 2.968 1.713 -2.808) 4.430 38.985 ( 1.262 0.729 -0.929) 1.728 62.755 ( -24.101 -13.915 23.547) 36.454 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.043 ( 16.873 9.742 1.357) 19.531 4.472 ( 12.252 7.074 16.969) 22.093 6.424 ( -1.261 -0.728 -2.077) 2.537 6.485 ( -1.380 -0.797 3.070) 3.459 7.985 ( 18.044 10.418 11.729) 23.911 8.286 ( 4.372 2.524 -20.725) 21.331 8.288 ( -0.031 -0.018 1.026) 1.027 10.210 ( -9.371 -5.410 -3.037) 11.239 19.314 ( 0.793 0.458 -0.017) 0.916 19.724 ( 2.093 1.208 -1.949) 3.105 39.013 ( 1.249 0.721 -0.210) 1.458 62.346 ( -18.348 -10.593 12.272) 24.483 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( 7.849 4.532 -3.308) 9.648 4.676 ( 1.137 0.656 -1.063) 1.689 6.353 ( -6.243 -3.604 5.096) 8.828 6.427 ( 1.470 0.849 3.534) 3.921 8.219 ( -1.215 -0.701 -18.878) 18.930 8.276 ( -1.077 -0.622 -0.580) 1.372 8.622 ( 28.713 16.577 7.713) 34.040 9.942 ( -14.194 -8.195 2.705) 16.611 19.328 ( 0.408 0.235 -0.164) 0.499 19.754 ( 1.183 0.683 -1.507) 2.034 39.037 ( 0.869 0.502 -0.031) 1.004 62.025 ( -12.639 -7.297 3.325) 14.969 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.362 ( -2.803 -1.619 -6.898) 7.620 4.475 ( -14.498 -8.371 -18.059) 24.625 6.380 ( 5.300 3.060 13.915) 15.201 6.523 ( 4.538 2.620 8.653) 10.116 8.033 ( -8.597 -4.964 -16.909) 19.608 8.237 ( -1.737 -1.003 -2.457) 3.172 9.293 ( 26.767 15.454 -0.010) 30.908 9.595 ( -17.264 -9.968 9.031) 21.885 19.331 ( -0.051 -0.030 -0.259) 0.266 19.766 ( 0.376 0.217 -1.351) 1.419 39.051 ( 0.446 0.257 -0.429) 0.670 61.801 ( -7.049 -4.070 -2.830) 8.617 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( -23.257 -13.428 -23.806) 35.888 4.153 ( -12.302 -7.103 -8.012) 16.309 6.659 ( 11.412 6.589 19.841) 23.818 6.691 ( 5.982 3.454 11.655) 13.548 7.667 ( -18.559 -10.715 -11.600) 24.368 8.179 ( -2.020 -1.166 -4.343) 4.930 9.183 ( -16.084 -9.286 -4.979) 19.228 9.891 ( 21.383 12.346 6.346) 25.494 19.324 ( -0.484 -0.279 -0.264) 0.618 19.762 ( -0.181 -0.104 -1.363) 1.379 39.055 ( 0.251 0.145 -1.196) 1.231 61.681 ( -1.900 -1.097 -5.699) 6.107 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -26.878 -15.518 -21.751) 37.899 3.753 ( -19.540 -11.281 -7.355) 23.731 6.879 ( 5.728 3.307 13.001) 14.587 6.893 ( -17.094 -9.869 25.610) 32.334 7.209 ( -0.973 -0.562 -6.445) 6.542 8.109 ( -2.175 -1.256 -6.036) 6.537 8.820 ( -13.174 -7.606 -7.342) 16.892 10.337 ( 16.656 9.616 -0.968) 19.257 19.308 ( -0.806 -0.465 -0.167) 0.945 19.748 ( -0.414 -0.239 -1.532) 1.605 39.054 ( 0.372 0.215 -2.100) 2.144 61.666 ( 2.462 1.421 -4.597) 5.405 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -28.005 -16.169 -13.709) 35.123 3.218 ( -24.607 -14.207 -5.946) 29.029 6.142 ( -43.451 -25.087 11.941) 51.574 7.056 ( 4.815 2.780 13.459) 14.562 7.514 ( 13.668 7.891 15.133) 21.865 8.027 ( -2.518 -1.454 -7.442) 7.990 8.522 ( -10.277 -5.933 -6.812) 13.683 10.644 ( 12.060 6.963 -8.272) 16.197 19.287 ( -0.973 -0.562 0.008) 1.124 19.731 ( -0.385 -0.222 -2.050) 2.098 39.055 ( 0.673 0.388 -3.081) 3.177 61.755 ( 5.943 3.431 1.808) 7.097 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -26.655 -15.389 1.402) 30.811 2.596 ( -27.721 -16.005 -4.333) 32.302 5.124 ( -49.966 -28.848 14.978) 59.609 7.212 ( 3.994 2.306 13.207) 13.989 7.822 ( 6.154 3.553 9.169) 11.600 7.929 ( -3.205 -1.851 -8.450) 9.225 8.322 ( -4.887 -2.821 4.505) 7.220 10.828 ( 8.796 5.078 -14.982) 18.100 19.265 ( -0.989 -0.571 0.206) 1.161 19.712 ( -0.357 -0.206 -3.443) 3.468 39.058 ( 0.893 0.515 -4.226) 4.350 61.962 ( 9.298 5.368 16.541) 19.720 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 27.008 8.856) 28.423 1.160 ( 0.000 39.860 18.326) 43.871 3.317 ( 0.000 14.389 83.398) 84.630 7.149 ( -0.000 5.492 -13.482) 14.558 7.277 ( -0.000 5.782 -12.240) 13.537 7.806 ( 0.000 -2.564 9.865) 10.193 8.110 ( 0.000 18.794 3.014) 19.034 11.339 ( -0.000 -16.632 -18.167) 24.630 19.223 ( 0.000 0.532 0.539) 0.757 19.289 ( -0.000 6.360 -3.438) 7.230 39.075 ( -0.000 -3.633 -0.680) 3.696 65.881 ( 0.000 -61.579 33.629) 70.163 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 30.421 23.697 8.434) 39.473 1.754 ( 13.846 35.046 24.329) 44.853 3.880 ( 7.814 18.625 70.587) 73.420 7.003 ( -11.011 5.653 -12.034) 17.263 7.432 ( 11.314 5.949 -11.941) 17.492 7.901 ( 7.459 -3.110 8.026) 11.389 8.312 ( -0.162 17.923 2.596) 18.111 11.032 ( -4.894 -17.179 -20.148) 26.926 19.230 ( -0.048 0.814 0.466) 0.939 19.371 ( 3.931 5.161 -5.012) 8.198 39.020 ( -1.460 -3.226 -0.811) 3.633 65.164 ( -29.478 -52.268 46.447) 75.883 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 27.984 24.344 8.976) 38.162 2.497 ( 23.762 24.836 30.671) 46.067 4.530 ( 14.753 20.975 51.924) 57.911 6.828 ( -9.859 5.168 -10.340) 15.193 7.644 ( 12.545 5.037 -11.215) 17.565 8.018 ( 6.047 -4.168 6.841) 10.037 8.435 ( -5.328 11.747 4.990) 13.831 10.711 ( -3.239 -13.120 -23.773) 27.346 19.243 ( 0.366 1.006 0.405) 1.145 19.465 ( 4.404 3.645 -5.105) 7.664 38.970 ( -0.794 -1.767 -0.899) 2.135 64.372 ( -32.181 -38.997 45.811) 68.228 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 22.178 25.741 9.644) 35.320 3.267 ( 25.626 15.603 32.929) 44.547 5.227 ( 21.784 20.139 31.930) 43.585 6.688 ( -8.260 5.892 -7.876) 12.844 7.853 ( 12.456 3.238 -12.144) 17.695 8.057 ( 0.442 -7.691 8.219) 11.265 8.408 ( -9.440 7.809 2.519) 12.507 10.481 ( 0.114 -8.200 -22.544) 23.989 19.265 ( 0.621 1.191 0.329) 1.383 19.549 ( 4.148 2.558 -4.189) 6.426 38.953 ( 0.403 -0.477 -0.464) 0.778 63.685 ( -28.829 -30.076 36.587) 55.446 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.442 ( 17.976 24.728 8.727) 31.793 3.920 ( 20.223 9.771 28.614) 36.376 5.899 ( 24.452 11.740 13.429) 30.266 6.611 ( -6.348 9.998 -2.840) 12.179 7.923 ( -5.966 -10.576 6.741) 13.889 8.025 ( 9.093 3.113 -13.424) 16.510 8.357 ( -4.717 7.022 -1.651) 8.619 10.346 ( 0.625 -6.075 -14.627) 15.851 19.289 ( 0.652 1.331 0.213) 1.497 19.622 ( 3.676 1.705 -3.131) 5.121 38.967 ( 1.209 0.244 0.322) 1.275 63.094 ( -24.520 -23.864 25.174) 42.478 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 12.830 23.080 5.361) 26.945 4.376 ( 13.262 4.001 17.552) 22.360 6.280 ( 11.231 -2.492 -0.097) 11.504 6.642 ( -5.851 10.539 0.979) 12.094 7.870 ( 7.720 2.533 7.224) 10.872 8.123 ( 6.545 1.656 -16.559) 17.883 8.349 ( -3.011 4.919 -1.499) 5.959 10.227 ( -2.568 -7.481 -5.227) 9.481 19.313 ( 0.451 1.374 0.061) 1.447 19.681 ( 3.004 0.928 -2.310) 3.902 38.996 ( 1.379 0.387 0.927) 1.706 62.588 ( -19.774 -18.677 14.299) 30.730 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.359 ( 3.843 22.153 -1.008) 22.507 4.581 ( 6.101 -5.713 2.411) 8.699 6.376 ( 3.163 -1.195 3.390) 4.788 6.533 ( -9.590 2.918 -0.583) 10.041 8.133 ( 2.134 0.008 -18.180) 18.305 8.307 ( 20.708 11.070 5.616) 24.143 8.336 ( 2.214 5.437 -0.173) 5.873 10.045 ( -7.821 -10.693 2.401) 13.464 19.331 ( 0.067 1.292 -0.095) 1.297 19.723 ( 2.172 0.218 -1.809) 2.835 39.024 ( 1.062 0.149 0.932) 1.421 62.174 ( -14.574 -13.786 5.284) 20.745 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( -8.146 -5.422 -14.386) 17.398 4.567 ( -4.976 10.321 -6.060) 12.962 6.364 ( 0.195 -2.024 6.997) 7.287 6.583 ( 2.828 10.085 9.207) 13.945 8.035 ( -3.954 -2.526 -15.582) 16.273 8.296 ( -4.273 3.870 -2.494) 6.281 8.932 ( 28.756 10.107 -2.312) 30.568 9.775 ( -12.176 -12.867 10.156) 20.420 19.339 ( -0.410 1.093 -0.208) 1.186 19.744 ( 1.308 -0.349 -1.574) 2.076 39.041 ( 0.589 -0.181 0.255) 0.667 61.867 ( -9.082 -9.074 -1.004) 12.878 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.998 ( -16.010 -16.595 -21.341) 31.419 4.456 ( -18.845 13.918 -9.283) 25.199 6.487 ( 10.919 -2.559 12.879) 17.078 6.819 ( 3.897 14.904 13.926) 20.766 7.803 ( -12.356 -6.603 -9.784) 17.088 8.237 ( -5.300 3.579 -4.301) 7.707 9.220 ( -1.083 -9.085 -17.990) 20.183 9.696 ( 12.608 2.001 19.518) 23.322 19.337 ( -0.870 0.817 -0.237) 1.217 19.748 ( 0.573 -0.688 -1.530) 1.773 39.044 ( 0.279 -0.343 -0.883) 0.987 61.679 ( -3.626 -4.727 -3.875) 7.107 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( -21.649 -16.776 -19.280) 33.494 4.134 ( -27.345 9.700 -8.743) 30.303 6.744 ( 13.803 -2.679 15.218) 20.719 7.118 ( 5.438 15.370 18.082) 24.347 7.370 ( -24.581 -12.815 -2.502) 27.834 8.147 ( -5.466 1.210 -6.159) 8.323 8.908 ( -10.554 -9.284 -12.348) 18.710 10.095 ( 19.333 3.763 3.951) 20.088 19.324 ( -1.214 0.519 -0.164) 1.330 19.739 ( 0.077 -0.761 -1.668) 1.835 39.039 ( 0.282 -0.216 -2.167) 2.196 61.619 ( 1.467 -1.006 -2.642) 3.186 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -24.753 -14.626 -9.962) 30.428 3.658 ( -32.933 5.685 -6.677) 34.081 6.675 ( -38.372 -19.376 9.266) 43.974 7.007 ( 10.673 -0.312 12.572) 16.495 7.454 ( 9.247 10.001 18.766) 23.188 8.019 ( -4.322 -3.963 -8.438) 10.275 8.640 ( -9.401 -0.048 -10.512) 14.102 10.420 ( 15.586 2.065 -5.668) 16.713 19.305 ( -1.389 0.247 -0.009) 1.411 19.723 ( -0.199 -0.600 -2.123) 2.215 39.033 ( 0.506 0.127 -3.422) 3.462 61.689 ( 6.123 1.922 3.664) 7.390 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -25.423 -10.801 6.330) 28.338 3.079 ( -36.575 2.938 -4.161) 36.928 5.771 ( -47.339 -22.743 13.437) 54.211 7.220 ( 6.372 2.643 13.240) 14.929 7.745 ( 8.532 -0.957 11.880) 14.657 7.857 ( -2.512 -7.114 -7.230) 10.449 8.502 ( -7.993 8.076 -2.305) 11.594 10.628 ( 11.582 2.179 -13.684) 18.060 19.283 ( -1.390 0.023 0.176) 1.402 19.702 ( -0.469 -0.319 -3.237) 3.286 39.030 ( 0.707 0.481 -4.629) 4.707 61.905 ( 11.010 4.148 16.740) 20.461 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 32.112 8.225) 33.149 2.118 ( 0.000 34.757 31.115) 46.650 4.308 ( 0.000 22.327 62.183) 66.070 7.196 ( -0.000 10.222 -13.699) 17.093 7.272 ( -0.000 4.686 -13.165) 13.974 7.851 ( 0.000 -1.714 10.184) 10.328 8.506 ( 0.000 18.229 0.877) 18.250 10.783 ( -0.000 -21.432 -21.662) 30.472 19.241 ( 0.000 0.764 0.487) 0.906 19.372 ( -0.000 5.511 -4.392) 7.047 38.994 ( -0.000 -3.656 -0.306) 3.668 65.034 ( 0.000 -56.574 41.684) 70.273 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 23.811 29.629 8.303) 38.907 2.647 ( 7.920 27.695 36.501) 46.498 4.813 ( 4.394 24.509 46.841) 53.048 7.047 ( -12.093 8.474 -11.928) 18.982 7.443 ( 11.074 5.685 -12.431) 17.592 7.924 ( 4.757 -2.117 8.726) 10.161 8.645 ( -3.171 12.552 1.277) 13.009 10.476 ( -0.177 -18.207 -24.105) 30.209 19.252 ( 0.144 0.989 0.418) 1.084 19.427 ( 2.326 4.486 -4.167) 6.550 38.957 ( -0.365 -2.478 0.311) 2.524 64.524 ( -15.771 -49.263 39.258) 64.937 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 27.892 28.967 8.427) 41.086 3.217 ( 14.083 16.947 37.982) 43.911 5.319 ( 8.116 23.337 27.983) 37.330 6.898 ( -10.303 9.506 -7.950) 16.116 7.627 ( 11.150 3.104 -11.594) 16.382 8.006 ( 2.995 -3.472 7.424) 8.726 8.630 ( -8.204 4.277 -0.783) 9.285 10.256 ( 3.112 -10.291 -22.881) 25.281 19.270 ( 0.474 1.320 0.370) 1.451 19.497 ( 3.165 3.251 -3.660) 5.829 38.942 ( 0.227 -0.956 1.147) 1.511 63.912 ( -20.782 -40.667 33.063) 56.381 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 19.792 29.693 11.640) 37.535 3.772 ( 19.718 7.230 30.243) 36.820 5.762 ( 11.378 15.475 7.969) 20.796 6.836 ( -6.996 12.719 -1.363) 14.580 7.772 ( 9.195 -1.388 -10.687) 14.166 7.993 ( -2.386 -4.217 4.212) 6.420 8.503 ( -6.696 2.857 -5.172) 8.930 10.173 ( 4.396 -5.315 -14.966) 16.479 19.296 ( 0.591 1.676 0.308) 1.803 19.565 ( 3.366 2.078 -2.981) 4.953 38.955 ( 0.890 0.063 2.022) 2.210 63.309 ( -20.849 -33.251 24.201) 46.108 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.031 ( 12.429 16.149 20.340) 28.792 4.271 ( 15.582 14.186 8.634) 22.772 6.058 ( 11.860 3.733 -4.556) 13.242 6.865 ( -6.662 11.213 0.454) 13.051 7.794 ( 3.895 -3.214 -1.745) 5.342 7.989 ( 4.204 3.013 -8.257) 9.743 8.445 ( -2.926 4.520 -3.874) 6.633 10.134 ( 1.749 -6.195 -5.545) 8.497 19.324 ( 0.405 1.982 0.208) 2.034 19.626 ( 3.196 0.962 -2.369) 4.093 38.985 ( 1.110 0.349 2.535) 2.789 62.758 ( -18.534 -26.566 14.833) 35.627 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 10.712 -8.106 12.221) 18.161 4.635 ( 0.325 30.946 -4.074) 31.215 6.257 ( 11.148 1.195 -1.291) 11.286 6.748 ( -12.256 3.174 -4.043) 13.290 7.952 ( 11.441 0.619 -9.617) 14.959 8.110 ( 10.908 8.642 -1.273) 13.975 8.432 ( -3.082 5.223 -2.352) 6.504 10.039 ( -3.105 -9.981 2.525) 10.753 19.349 ( -0.046 2.148 0.084) 2.150 19.672 ( 2.745 -0.032 -1.933) 3.358 39.015 ( 0.856 0.077 2.360) 2.511 62.285 ( -14.780 -20.114 6.578) 25.812 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( -0.696 -15.507 -10.223) 18.587 4.877 ( -6.819 30.623 -2.146) 31.446 6.382 ( -0.557 -1.137 0.184) 1.280 6.674 ( 1.881 10.178 5.668) 11.800 7.980 ( 1.210 -1.518 -13.888) 14.023 8.415 ( -4.224 6.164 -3.142) 8.106 8.531 ( 24.375 6.156 -2.525) 25.267 9.853 ( -7.697 -13.310 10.067) 18.378 19.364 ( -0.641 2.102 -0.023) 2.198 19.702 ( 2.108 -0.773 -1.673) 2.800 39.033 ( 0.391 -0.378 1.460) 1.558 61.918 ( -10.103 -13.846 0.582) 17.150 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( -10.791 -15.020 -18.897) 26.441 4.941 ( -17.616 26.293 -6.110) 32.233 6.368 ( 4.117 -3.046 5.873) 7.792 6.946 ( 6.213 16.262 12.366) 21.354 7.870 ( -5.719 -3.420 -9.068) 11.254 8.373 ( -6.271 6.432 -5.061) 10.311 8.901 ( 17.869 -5.107 -15.872) 24.440 9.674 ( -2.416 -9.752 19.000) 21.492 19.367 ( -1.226 1.835 -0.068) 2.208 19.716 ( 1.412 -1.144 -1.552) 2.390 39.034 ( 0.037 -0.641 0.091) 0.648 61.677 ( -4.944 -8.044 -2.320) 9.723 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( -17.379 -12.047 -16.633) 26.904 4.741 ( -28.766 21.101 -8.204) 36.606 6.529 ( 13.206 -3.201 10.055) 16.904 7.258 ( 3.944 16.620 12.577) 21.212 7.627 ( -15.369 -6.450 1.294) 16.718 8.259 ( -9.091 0.617 -6.795) 11.367 8.857 ( -0.685 -9.177 -17.018) 19.347 9.823 ( 15.500 -2.940 11.677) 19.628 19.358 ( -1.661 1.403 -0.028) 2.174 19.716 ( 0.773 -1.110 -1.572) 2.074 39.025 ( -0.021 -0.506 -1.393) 1.482 61.574 ( 0.332 -3.101 -1.473) 3.449 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -21.548 -7.661 -6.716) 23.835 4.336 ( -35.638 16.014 -6.533) 39.614 6.784 ( 13.897 -4.922 4.917) 15.541 7.143 ( -26.750 -9.855 10.154) 30.262 7.568 ( 1.338 12.738 18.930) 22.856 8.024 ( -7.882 -9.034 -9.610) 15.365 8.719 ( -3.471 3.227 -13.102) 13.933 10.117 ( 17.655 -2.511 -0.014) 17.833 19.339 ( -1.874 0.904 0.081) 2.083 19.708 ( 0.238 -0.737 -1.823) 1.981 39.014 ( 0.159 -0.029 -2.759) 2.764 61.617 ( 5.585 0.653 3.763) 6.766 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -23.346 -2.280 9.245) 25.213 3.803 ( -39.787 11.902 -3.442) 41.672 6.365 ( -38.361 -17.410 5.199) 42.447 7.122 ( 11.189 -1.313 17.445) 20.766 7.703 ( -3.523 -3.870 -4.926) 7.187 7.831 ( 0.208 -0.301 7.583) 7.592 8.672 ( -4.440 8.137 -7.216) 11.748 10.363 ( 14.957 -0.255 -8.820) 17.366 19.314 ( -1.868 0.432 0.207) 1.929 19.694 ( -0.288 -0.169 -2.522) 2.544 39.007 ( 0.346 0.537 -3.954) 4.006 61.814 ( 11.181 3.014 14.130) 18.269 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 31.143 8.382) 32.251 3.005 ( 0.000 22.002 42.392) 47.762 5.212 ( 0.000 27.457 33.502) 43.316 7.244 ( -0.000 4.212 -13.954) 14.576 7.299 ( -0.000 10.706 -11.714) 15.870 7.901 ( 0.000 -2.034 9.906) 10.113 8.776 ( 0.000 6.532 -1.012) 6.610 10.199 ( -0.000 -14.985 -23.716) 28.053 19.260 ( 0.000 0.844 0.337) 0.909 19.438 ( -0.000 4.605 -3.439) 5.748 38.941 ( 0.000 -1.903 1.545) 2.451 64.309 ( 0.000 -50.290 34.073) 60.746 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 21.365 28.645 7.961) 36.611 3.400 ( 4.118 12.335 44.411) 46.276 5.602 ( 0.615 27.332 16.078) 31.716 7.122 ( -8.692 8.277 -10.169) 15.731 7.451 ( 8.029 5.372 -10.989) 14.631 7.954 ( 3.261 -2.420 8.584) 9.496 8.734 ( -4.538 -4.391 -5.240) 8.206 10.030 ( 2.710 -4.324 -19.697) 20.348 19.275 ( 0.497 1.005 0.288) 1.157 19.480 ( 1.338 3.934 -2.884) 5.058 38.938 ( 0.150 -0.666 2.776) 2.859 63.872 ( -9.723 -45.965 28.510) 54.956 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 30.249 27.361 7.237) 41.425 3.745 ( 6.773 1.594 40.661) 41.252 5.876 ( -0.654 21.280 -2.442) 21.430 7.062 ( -5.872 11.179 -3.660) 13.147 7.576 ( 7.770 1.349 -9.623) 12.442 7.996 ( 0.295 -3.220 5.709) 6.561 8.552 ( -3.828 -6.313 -9.649) 12.149 10.017 ( 3.664 1.687 -11.650) 12.329 19.300 ( 0.928 1.396 0.291) 1.702 19.531 ( 1.961 2.839 -2.417) 4.213 38.957 ( 0.502 0.322 3.731) 3.778 63.345 ( -14.051 -39.672 21.642) 47.325 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 8.387 -8.004 30.895) 32.999 4.157 ( 28.183 29.342 5.790) 41.095 5.986 ( -0.015 11.222 -13.392) 17.472 7.073 ( -5.686 9.131 -2.720) 11.095 7.658 ( 6.030 -0.751 -6.583) 8.959 7.969 ( -0.577 1.017 -1.068) 1.584 8.465 ( 1.178 -0.555 -6.338) 6.471 10.045 ( 1.466 0.092 -3.796) 4.071 19.335 ( 0.952 1.933 0.300) 2.176 19.580 ( 2.237 1.507 -2.047) 3.385 38.989 ( 0.622 0.596 4.091) 4.181 62.813 ( -14.774 -32.611 14.152) 38.498 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.124 ( 8.178 -15.159 14.862) 22.750 4.872 ( 14.200 34.690 3.232) 37.623 6.060 ( 8.532 3.674 -10.217) 13.808 6.958 ( -11.191 2.849 -7.376) 13.702 7.753 ( 7.920 0.438 -5.580) 9.698 8.043 ( 5.451 7.225 -3.187) 9.595 8.484 ( 1.169 2.587 -3.031) 4.152 10.015 ( -2.429 -4.843 2.906) 6.148 19.371 ( 0.474 2.480 0.288) 2.541 19.619 ( 2.335 0.126 -1.788) 2.943 39.019 ( 0.384 0.225 3.681) 3.707 62.331 ( -13.124 -25.136 7.209) 29.258 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( 3.762 -17.131 -2.682) 17.743 5.307 ( -3.851 34.876 0.144) 35.088 6.292 ( 13.345 3.816 -2.501) 14.103 6.783 ( -5.996 4.704 -3.092) 8.225 7.839 ( 6.251 -2.077 -10.266) 12.197 8.254 ( 12.204 5.126 -2.766) 13.523 8.513 ( -0.889 4.976 -2.956) 5.856 9.889 ( -6.311 -10.070 8.892) 14.843 19.399 ( -0.392 2.804 0.257) 2.843 19.647 ( 2.306 -0.989 -1.614) 2.983 39.034 ( -0.039 -0.393 2.584) 2.614 61.940 ( -9.886 -17.604 1.890) 20.278 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( -3.602 -13.477 -13.018) 19.081 5.483 ( -12.787 30.669 -1.236) 33.250 6.347 ( -3.440 -0.362 -3.135) 4.669 6.998 ( 12.864 15.137 9.733) 22.121 7.838 ( 1.576 -3.004 -9.738) 10.312 8.456 ( 7.678 -2.857 -7.996) 11.448 8.543 ( 3.858 4.791 -5.781) 8.441 9.707 ( -6.036 -12.397 14.413) 19.946 19.413 ( -1.341 2.662 0.231) 2.989 19.666 ( 2.094 -1.492 -1.488) 2.971 39.032 ( -0.362 -0.795 1.111) 1.413 61.669 ( -5.634 -10.546 -0.963) 11.996 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -10.749 -7.054 -12.853) 18.180 5.426 ( -25.899 26.190 -5.176) 37.195 6.343 ( 6.972 -3.768 3.711) 8.750 7.401 ( 6.618 18.742 11.489) 22.958 7.754 ( -4.338 -3.189 -2.638) 5.995 8.358 ( -7.133 -7.869 -8.857) 13.829 8.648 ( 7.578 0.236 -12.951) 15.007 9.637 ( 5.138 -9.966 14.501) 18.330 19.408 ( -2.034 2.031 0.235) 2.884 19.678 ( 1.633 -1.276 -1.412) 2.507 39.019 ( -0.405 -0.699 -0.378) 0.892 61.535 ( -0.799 -4.551 -0.741) 4.680 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -16.219 -0.286 -4.463) 16.824 5.098 ( -34.906 19.247 -4.769) 40.145 6.506 ( 13.510 -5.589 3.356) 15.000 7.480 ( -14.687 -0.539 3.370) 15.078 7.770 ( -0.176 12.938 14.528) 19.455 8.022 ( -11.116 -16.136 -7.527) 20.990 8.711 ( 2.907 6.505 -14.027) 15.732 9.788 ( 15.839 -7.379 6.028) 18.485 19.387 ( -2.335 1.188 0.270) 2.634 19.685 ( 0.976 -0.579 -1.457) 1.847 39.005 ( -0.213 -0.139 -1.666) 1.685 61.547 ( 4.391 -0.118 3.000) 5.320 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -19.397 5.818 9.294) 22.282 4.602 ( -39.482 12.992 -1.669) 41.598 6.585 ( -1.410 -11.793 -5.460) 13.072 7.193 ( -15.061 -1.279 20.508) 25.476 7.658 ( -6.096 -13.377 -12.715) 19.437 7.950 ( -2.027 9.605 13.923) 17.036 8.749 ( -0.514 6.652 -10.846) 12.733 10.041 ( 17.967 -2.654 -2.690) 18.360 19.356 ( -2.311 0.444 0.308) 2.374 19.687 ( 0.217 0.258 -1.784) 1.815 38.996 ( -0.013 0.590 -2.732) 2.795 61.710 ( 10.016 2.387 10.544) 14.737 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.000 26.928 7.613) 27.983 3.642 ( 0.000 2.846 47.128) 47.214 5.919 ( 0.000 28.068 0.742) 28.077 7.207 ( -0.000 4.349 -14.410) 15.052 7.416 ( -0.000 8.789 -5.818) 10.540 7.936 ( 0.000 -2.763 9.547) 9.938 8.641 ( -0.000 -14.107 -10.448) 17.555 9.948 ( -0.000 6.281 -13.213) 14.630 19.279 ( 0.000 0.809 0.178) 0.828 19.499 ( -0.000 4.006 -2.172) 4.557 38.949 ( 0.000 0.148 4.164) 4.167 63.604 ( 0.000 -45.822 23.685) 51.582 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 20.775 23.791 6.797) 32.308 3.833 ( 2.008 -7.103 43.995) 44.610 6.116 ( -3.891 22.883 -14.172) 27.196 7.183 ( -1.081 6.391 -11.530) 13.226 7.494 ( 1.945 5.583 -2.546) 6.437 7.972 ( 2.114 -2.661 7.651) 8.372 8.435 ( -0.351 -12.704 -12.651) 17.931 10.004 ( 0.624 10.120 -6.759) 12.186 19.295 ( 0.892 0.910 0.152) 1.284 19.534 ( 0.551 3.426 -1.666) 3.849 38.975 ( 0.173 0.831 4.995) 5.066 63.198 ( -6.428 -41.847 18.384) 46.157 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 21.180 6.496 11.568) 24.992 3.986 ( 14.862 0.180 29.166) 32.735 6.125 ( -7.068 14.955 -20.753) 26.538 7.186 ( -1.638 5.584 -10.576) 12.071 7.572 ( 2.786 3.394 -0.312) 4.402 7.990 ( -0.405 0.691 1.122) 1.379 8.343 ( 5.192 -5.022 -7.198) 10.197 10.075 ( -1.403 7.764 -1.581) 8.046 19.329 ( 1.619 1.268 0.187) 2.065 19.567 ( 0.676 2.372 -1.350) 2.812 39.009 ( 0.167 0.901 5.045) 5.127 62.740 ( -9.561 -35.503 12.729) 38.909 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 4.924 -19.318 17.599) 26.593 4.754 ( 34.740 22.827 9.037) 42.540 6.046 ( -5.283 9.355 -17.194) 20.274 7.111 ( -7.087 4.113 -11.539) 14.152 7.648 ( 3.589 1.292 -1.838) 4.234 8.035 ( 2.253 6.717 -2.316) 7.454 8.406 ( 6.726 -1.482 -2.081) 7.195 10.076 ( -4.840 2.408 2.512) 5.962 19.375 ( 1.789 1.875 0.260) 2.605 19.590 ( 0.709 0.971 -1.202) 1.700 39.037 ( -0.093 0.350 4.313) 4.328 62.298 ( -10.038 -27.792 7.318) 30.442 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( 4.532 -18.295 4.192) 19.309 5.565 ( 20.899 29.341 7.616) 36.819 6.046 ( 8.501 3.329 -9.031) 12.842 6.952 ( -10.836 5.692 -9.970) 15.787 7.698 ( 3.811 -0.896 -5.353) 6.632 8.158 ( 5.042 5.441 -2.187) 7.734 8.498 ( 4.868 0.813 -1.329) 5.112 9.973 ( -8.314 -4.006 5.792) 10.896 19.425 ( 1.103 2.682 0.386) 2.925 19.601 ( 1.005 -0.610 -1.204) 1.683 39.047 ( -0.466 -0.440 3.037) 3.104 61.924 ( -8.532 -19.570 2.917) 21.547 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( 2.065 -11.846 -5.082) 13.054 5.891 ( -4.788 18.330 2.306) 19.085 6.432 ( 8.372 17.298 -3.920) 19.613 6.873 ( 9.087 4.421 -0.287) 10.110 7.713 ( 2.972 -2.304 -7.635) 8.511 8.265 ( 5.012 -0.893 -1.791) 5.397 8.569 ( 2.047 3.350 -3.694) 5.391 9.776 ( -9.579 -9.689 8.636) 16.131 19.462 ( -0.593 3.213 0.555) 3.314 19.607 ( 1.877 -1.785 -1.293) 2.895 39.039 ( -0.715 -0.969 1.587) 1.992 61.653 ( -5.622 -11.706 0.222) 12.987 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( -2.794 -2.871 -7.191) 8.232 5.969 ( -6.606 13.888 2.512) 15.583 6.365 ( -15.490 8.349 -5.207) 18.351 7.396 ( 25.312 14.396 6.972) 29.943 7.685 ( 0.458 -3.045 -7.530) 8.135 8.266 ( -0.245 -7.692 -0.968) 7.756 8.606 ( 0.499 5.709 -8.146) 9.960 9.570 ( -4.471 -12.914 10.374) 17.158 19.468 ( -2.224 2.318 0.570) 3.263 19.624 ( 2.483 -1.319 -1.240) 3.073 39.021 ( -0.688 -0.914 0.289) 1.180 61.507 ( -1.754 -5.021 -0.228) 5.323 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -8.584 5.692 -2.329) 10.560 5.824 ( -28.818 14.720 -1.007) 32.375 6.278 ( 5.647 -4.131 0.394) 7.008 7.588 ( -0.537 -8.712 -8.210) 11.983 7.890 ( 5.824 16.965 3.163) 18.214 8.092 ( -10.057 -6.516 9.501) 15.293 8.656 ( 3.790 6.951 -13.127) 15.330 9.507 ( 8.222 -12.610 8.243) 17.162 19.442 ( -2.681 0.838 0.465) 2.847 19.651 ( 1.933 -0.015 -1.114) 2.231 39.004 ( -0.439 -0.296 -0.725) 0.897 61.494 ( 2.790 -0.164 1.931) 3.397 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -13.365 12.124 7.567) 19.568 5.359 ( -36.354 6.961 0.812) 37.024 6.365 ( 9.113 -7.905 -2.376) 12.296 7.417 ( -3.512 -11.709 -8.028) 14.625 7.721 ( -19.382 -0.983 6.741) 20.545 8.165 ( -3.816 11.902 11.471) 16.965 8.733 ( 3.049 5.022 -13.072) 14.332 9.679 ( 19.090 -6.030 2.607) 20.188 19.402 ( -2.580 -0.106 0.389) 2.611 19.676 ( 0.962 0.985 -1.182) 1.815 38.995 ( -0.199 0.555 -1.516) 1.626 61.615 ( 7.916 2.428 6.852) 10.748 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 0.000 20.587 6.424) 21.566 3.885 ( 0.000 -16.226 41.587) 44.641 6.280 ( -0.000 17.780 -23.246) 29.266 7.176 ( -0.000 4.874 -14.499) 15.296 7.552 ( 0.000 6.387 1.803) 6.637 7.955 ( 0.000 -3.315 9.393) 9.961 8.268 ( -0.000 -8.146 -12.651) 15.046 10.103 ( -0.000 13.085 -2.910) 13.405 19.295 ( 0.000 0.693 0.075) 0.697 19.558 ( -0.000 3.362 -1.051) 3.523 39.007 ( 0.000 1.151 5.474) 5.594 62.914 ( 0.000 -39.911 14.750) 42.550 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( 18.457 14.660 6.259) 24.388 3.874 ( 3.482 -19.897 33.633) 39.233 6.272 ( -4.858 11.112 -23.677) 26.602 7.176 ( 1.121 5.109 -14.363) 15.286 7.610 ( -0.624 4.146 3.257) 5.309 7.990 ( 2.437 -1.234 6.461) 7.015 8.200 ( 2.411 -0.199 -8.670) 9.001 10.204 ( -2.158 11.260 -0.357) 11.471 19.313 ( 1.239 0.729 0.067) 1.439 19.585 ( -0.092 2.756 -0.637) 2.830 39.040 ( -0.064 0.929 5.073) 5.157 62.558 ( -4.284 -34.751 10.865) 36.661 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 1.935 -21.765 19.632) 29.374 4.338 ( 35.295 12.532 9.099) 38.544 6.179 ( -6.301 8.354 -16.269) 19.344 7.180 ( -0.935 6.984 -14.196) 15.848 7.638 ( -0.533 1.450 1.919) 2.464 8.061 ( 2.174 3.719 2.019) 4.757 8.260 ( 6.153 0.956 -2.651) 6.768 10.228 ( -5.885 6.516 0.993) 8.837 19.352 ( 2.322 0.948 0.068) 2.509 19.601 ( -0.496 1.809 -0.378) 1.913 39.062 ( -0.343 0.179 3.979) 3.998 62.193 ( -6.325 -27.467 6.999) 29.042 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 3.300 -18.979 10.448) 21.915 5.174 ( 42.685 12.123 7.118) 44.941 6.104 ( -5.734 7.626 -7.431) 12.094 7.154 ( -6.589 11.512 -12.157) 17.993 7.643 ( 0.457 -0.203 -1.089) 1.198 8.146 ( 2.293 3.742 1.162) 4.541 8.380 ( 7.337 0.096 -0.232) 7.341 10.132 ( -9.887 0.352 1.440) 9.997 19.409 ( 2.944 1.333 0.058) 3.232 19.600 ( -0.974 0.679 -0.234) 1.210 39.064 ( -0.677 -0.732 2.584) 2.769 61.873 ( -6.425 -19.213 3.587) 20.574 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( 4.738 -10.762 2.977) 12.129 6.038 ( 25.892 3.687 -3.976) 26.454 6.090 ( 13.742 12.424 8.068) 20.206 7.065 ( -14.361 14.472 -7.411) 21.693 7.649 ( 1.545 0.548 -4.053) 4.372 8.214 ( 2.077 0.751 2.146) 3.080 8.496 ( 6.235 -0.082 -1.120) 6.336 9.916 ( -12.644 -5.755 1.625) 13.987 19.476 ( 2.853 1.970 0.097) 3.468 19.580 ( -1.226 -0.596 -0.226) 1.382 39.048 ( -0.849 -1.309 1.297) 2.029 61.634 ( -4.999 -11.141 1.117) 12.262 ======================= Grid point 645 (247/417) ======================= q-point: (-0.25 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 4.077 -0.805 -0.772) 4.226 6.051 ( -1.404 1.461 0.318) 2.051 6.866 ( 9.362 -4.250 -3.208) 10.770 6.882 ( 7.314 20.405 2.422) 21.811 7.691 ( 2.200 7.352 -2.718) 8.141 8.247 ( 0.115 -0.766 4.378) 4.445 8.574 ( 3.985 0.734 -4.921) 6.375 9.624 ( -11.989 -10.764 2.344) 16.282 19.531 ( -1.792 2.621 0.940) 3.311 19.558 ( 2.724 -1.689 -1.070) 3.379 39.024 ( -0.739 -1.234 0.366) 1.484 61.496 ( -2.416 -4.271 0.044) 4.907 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 0.655 8.368 -0.270) 8.398 6.038 ( 0.465 -4.080 0.423) 4.128 6.553 ( -25.523 6.197 1.382) 26.301 7.279 ( 15.015 -13.832 -9.312) 22.439 7.973 ( 11.308 23.985 3.285) 26.719 8.241 ( -4.095 1.389 10.664) 11.507 8.607 ( 2.257 2.460 -11.131) 11.621 9.357 ( -4.288 -14.679 3.876) 15.775 19.492 ( -2.573 -0.763 0.387) 2.711 19.613 ( 2.643 1.485 -0.565) 3.084 39.005 ( -0.421 -0.541 -0.210) 0.717 61.468 ( 1.067 0.639 0.724) 1.439 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -4.447 15.189 4.509) 16.456 5.870 ( -17.395 -10.907 0.053) 20.532 6.256 ( -8.429 1.319 2.561) 8.908 7.210 ( 3.171 -16.656 -10.818) 20.113 8.119 ( -14.356 10.839 6.882) 19.260 8.398 ( -1.956 15.399 9.113) 18.000 8.637 ( 5.596 2.746 -14.796) 16.056 9.308 ( 14.761 -11.890 4.840) 19.562 19.441 ( -2.417 -1.253 0.313) 2.740 19.664 ( 1.617 1.986 -0.638) 2.639 38.999 ( -0.133 0.413 -0.617) 0.755 61.550 ( 5.301 3.142 3.344) 7.011 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( 0.000 13.324 5.806) 14.534 3.747 ( 0.000 -26.258 29.915) 39.805 6.304 ( -0.000 6.907 -20.027) 21.185 7.156 ( -0.000 5.523 -14.309) 15.338 7.667 ( 0.000 2.829 3.034) 4.149 7.965 ( 0.000 -3.696 9.269) 9.979 8.196 ( -0.000 8.371 -7.518) 11.251 10.334 ( 0.000 10.291 -0.332) 10.296 19.308 ( 0.000 0.512 0.051) 0.514 19.612 ( 0.000 2.505 -0.123) 2.508 39.068 ( 0.000 0.466 4.216) 4.242 62.308 ( 0.000 -30.683 8.668) 31.884 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( -0.783 -23.183 21.627) 31.715 3.959 ( 22.883 7.620 7.849) 25.364 6.272 ( -3.095 6.616 -11.387) 13.528 7.173 ( 2.078 6.863 -14.248) 15.950 7.688 ( -1.527 1.670 2.994) 3.753 8.009 ( 4.516 -3.650 8.370) 10.187 8.266 ( -0.355 10.432 -4.280) 11.281 10.382 ( -4.028 6.353 -1.378) 7.648 19.325 ( 1.469 0.469 0.041) 1.543 19.630 ( -0.535 1.883 0.238) 1.972 39.081 ( -0.283 -0.407 2.845) 2.888 62.041 ( -2.797 -24.189 6.222) 25.132 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( 1.401 -18.690 15.646) 24.414 4.582 ( 37.531 5.320 6.590) 38.474 6.244 ( -4.748 7.420 -3.196) 9.371 7.246 ( 2.887 11.165 -13.352) 17.643 7.674 ( -2.908 0.665 2.816) 4.102 8.100 ( 5.878 -3.634 7.729) 10.368 8.341 ( 0.018 7.628 -1.787) 7.834 10.301 ( -8.701 1.073 -3.031) 9.276 19.366 ( 2.757 0.469 -0.047) 2.797 19.631 ( -1.246 1.166 0.516) 1.782 39.074 ( -0.593 -1.320 1.472) 2.064 61.800 ( -4.058 -16.463 3.715) 17.358 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 4.697 -10.381 9.633) 14.920 5.350 ( 44.068 1.152 4.299) 44.292 6.221 ( -5.581 6.489 1.389) 8.671 7.363 ( -1.860 17.470 -7.864) 19.249 7.632 ( -1.963 -0.668 0.778) 2.215 8.188 ( 3.880 -2.544 7.520) 8.836 8.404 ( 2.653 2.107 -1.048) 3.546 10.085 ( -12.776 -3.867 -4.562) 14.106 19.425 ( 3.611 0.305 -0.279) 3.635 19.615 ( -1.945 0.696 0.787) 2.211 39.050 ( -0.717 -1.817 0.507) 2.019 61.617 ( -3.963 -8.780 1.458) 9.742 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( 7.679 -1.529 4.460) 9.011 6.030 ( 23.584 -2.492 -2.522) 23.849 6.240 ( 12.443 -0.799 4.607) 13.292 7.363 ( -15.688 11.537 5.505) 20.237 7.687 ( 6.254 9.060 -4.897) 12.049 8.250 ( 2.097 0.236 5.663) 6.043 8.467 ( 5.014 -1.956 -1.317) 5.541 9.767 ( -15.079 -7.183 -5.135) 17.475 19.486 ( 3.542 -0.801 -0.734) 3.705 19.591 ( -2.117 1.349 1.162) 2.767 39.023 ( -0.555 -1.626 0.080) 1.720 61.507 ( -2.730 -2.265 -0.159) 3.551 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 8.721 6.159 0.914) 10.716 6.043 ( -4.767 -2.146 -0.241) 5.234 6.587 ( 20.617 -17.580 -4.163) 27.412 7.170 ( -15.773 3.152 7.761) 17.860 7.980 ( 13.568 18.156 1.650) 22.726 8.329 ( 1.831 5.703 1.961) 6.303 8.518 ( 4.012 -2.407 -1.639) 4.958 9.407 ( -14.649 -9.078 -4.018) 17.696 19.498 ( 0.136 -2.701 -0.474) 2.746 19.605 ( 0.743 3.017 0.732) 3.192 39.004 ( -0.193 -0.820 0.017) 0.842 61.478 ( -0.520 2.281 -0.742) 2.454 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 7.068 12.242 -0.000) 14.136 5.884 ( -7.007 -12.136 -0.000) 14.014 6.482 ( -7.717 -13.367 -0.000) 15.435 7.011 ( -4.030 -6.980 0.000) 8.060 8.422 ( 3.342 5.789 0.000) 6.685 8.443 ( 7.762 13.444 -0.000) 15.524 8.578 ( 6.316 10.938 0.000) 12.631 9.082 ( -7.508 -13.004 -0.000) 15.015 19.457 ( -1.418 -2.456 -0.000) 2.836 19.658 ( 1.587 2.748 0.000) 3.173 39.001 ( 0.129 0.223 0.000) 0.258 61.527 ( 2.564 4.442 -0.000) 5.129 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( 0.000 -23.124 22.799) 32.473 3.845 ( 0.000 5.784 6.088) 8.398 6.337 ( -0.000 8.426 -4.001) 9.327 7.152 ( -0.000 6.143 -13.920) 15.215 7.731 ( 0.000 1.395 3.138) 3.435 7.965 ( 0.000 -4.128 8.897) 9.808 8.373 ( 0.000 10.858 -0.702) 10.881 10.457 ( -0.000 3.396 -4.268) 5.454 19.316 ( 0.000 0.267 0.080) 0.278 19.654 ( 0.000 1.460 0.661) 1.602 39.085 ( 0.000 -1.265 1.419) 1.901 61.875 ( 0.000 -18.600 4.912) 19.237 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( -0.130 -17.355 19.119) 25.822 4.114 ( 22.800 1.362 6.737) 23.813 6.400 ( -3.638 10.517 2.168) 11.338 7.203 ( 5.074 7.888 -13.261) 16.242 7.742 ( -1.736 1.014 3.537) 4.069 7.998 ( 4.257 -4.454 8.696) 10.657 8.451 ( -2.279 7.438 2.264) 8.102 10.405 ( -5.079 -0.469 -7.058) 8.708 19.332 ( 1.541 0.137 0.048) 1.548 19.663 ( -0.730 0.885 0.976) 1.506 39.069 ( -0.303 -2.036 0.283) 2.077 61.724 ( -1.839 -11.771 3.086) 12.307 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 3.010 -10.636 13.739) 17.634 4.657 ( 36.972 -3.248 6.043) 37.603 6.421 ( -7.303 9.791 3.550) 12.720 7.373 ( 9.244 11.219 -10.655) 18.024 7.719 ( -3.974 0.559 4.647) 6.140 8.090 ( 6.630 -3.693 9.236) 11.954 8.453 ( -3.923 1.742 2.534) 4.984 10.219 ( -10.080 -3.325 -8.933) 13.873 19.369 ( 2.762 -0.097 -0.131) 2.767 19.655 ( -1.397 0.485 1.239) 1.929 39.040 ( -0.418 -2.327 -0.202) 2.373 61.611 ( -2.713 -4.939 0.940) 5.713 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 7.632 -4.511 7.285) 11.475 5.301 ( 41.139 -9.327 3.586) 42.335 6.372 ( -9.378 7.113 2.052) 11.948 7.605 ( 6.466 3.298 -5.138) 8.893 7.665 ( -4.007 7.365 6.227) 10.444 8.215 ( 5.098 -0.446 6.436) 8.222 8.399 ( -0.547 -3.005 1.863) 3.578 9.935 ( -14.073 -3.705 -9.190) 17.211 19.417 ( 3.202 -0.739 -0.451) 3.317 19.639 ( -1.618 0.671 1.454) 2.276 39.012 ( -0.253 -1.944 -0.059) 1.961 61.543 ( -2.676 0.774 -1.152) 3.015 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 12.206 0.269 0.801) 12.235 5.819 ( 30.450 -17.557 -0.433) 35.151 6.276 ( -7.198 3.107 0.914) 7.893 7.474 ( -12.860 -4.521 9.709) 16.736 7.886 ( 11.128 5.327 1.222) 12.398 8.264 ( 5.390 0.244 -13.693) 14.718 8.481 ( 4.145 3.694 13.680) 14.764 9.608 ( -16.604 -1.003 -7.740) 18.347 19.449 ( 2.067 -2.011 -0.617) 2.949 19.635 ( -0.613 1.712 1.347) 2.263 38.996 ( 0.103 -1.008 0.361) 1.076 61.524 ( -1.751 4.590 -2.719) 5.615 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 0.000 -14.882 19.468) 24.505 3.935 ( 0.000 -2.310 6.505) 6.903 6.582 ( 0.000 14.355 6.923) 15.937 7.163 ( -0.000 6.673 -13.387) 14.958 7.778 ( 0.000 0.630 3.078) 3.142 7.953 ( 0.000 -4.472 8.399) 9.515 8.545 ( 0.000 2.491 6.174) 6.658 10.399 ( -0.000 -2.211 -9.886) 10.130 19.319 ( 0.000 -0.039 0.115) 0.122 19.680 ( 0.000 0.357 1.307) 1.355 39.048 ( -0.000 -2.558 -0.397) 2.588 61.661 ( 0.000 -6.016 1.599) 6.225 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 0.899 -11.499 14.919) 18.857 4.116 ( 22.188 -7.051 6.658) 24.215 6.689 ( -7.697 13.569 5.795) 16.641 7.260 ( 8.684 8.190 -10.821) 16.111 7.779 ( -1.522 -0.330 2.462) 2.913 7.992 ( 5.191 -3.049 8.317) 10.267 8.535 ( -3.517 -4.699 7.724) 9.701 10.283 ( -5.499 -2.335 -10.614) 12.180 19.331 ( 1.452 -0.245 0.045) 1.473 19.681 ( -0.682 -0.075 1.572) 1.715 39.019 ( -0.126 -2.583 -0.298) 2.603 61.621 ( -1.373 -0.292 -0.613) 1.531 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 5.141 -8.808 7.648) 12.748 4.553 ( 35.085 -12.438 5.713) 37.661 6.650 ( -11.551 9.961 1.717) 15.349 7.466 ( 9.874 4.256 -7.453) 13.083 7.753 ( -1.051 -1.219 3.390) 3.753 8.128 ( 7.055 -0.054 3.199) 7.746 8.420 ( -3.950 -8.226 9.987) 13.528 10.089 ( -10.504 -0.070 -8.978) 13.818 19.360 ( 2.392 -0.656 -0.179) 2.487 19.671 ( -1.040 -0.110 1.761) 2.049 38.994 ( 0.002 -2.002 0.399) 2.041 61.602 ( -2.223 4.369 -3.147) 5.825 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 11.139 -6.925 -0.310) 13.120 5.047 ( 36.444 -19.191 3.115) 41.305 6.524 ( -12.892 6.483 0.730) 14.449 7.534 ( 2.354 -6.816 -3.536) 8.031 7.778 ( 1.979 -5.010 8.748) 10.274 8.100 ( 2.007 -6.273 -15.472) 16.815 8.513 ( 6.341 6.550 16.468) 18.824 9.864 ( -14.109 4.655 -5.999) 16.023 19.391 ( 2.321 -1.439 -0.415) 2.762 19.664 ( -0.688 0.470 1.720) 1.911 38.985 ( 0.304 -0.981 1.180) 1.564 61.602 ( -2.437 7.245 -5.417) 9.368 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.000 -12.649 12.783) 17.983 3.856 ( 0.000 -11.237 6.084) 12.779 6.950 ( 0.000 13.587 7.590) 15.563 7.187 ( -0.000 6.911 -12.855) 14.595 7.798 ( -0.000 0.959 -3.376) 3.510 7.934 ( 0.000 -4.354 8.165) 9.254 8.522 ( 0.000 -12.414 11.748) 17.092 10.276 ( -0.000 -0.026 -8.960) 8.960 19.316 ( 0.000 -0.386 0.104) 0.400 19.691 ( 0.000 -0.569 1.876) 1.961 38.995 ( 0.000 -2.378 0.383) 2.409 61.645 ( -0.000 4.272 -3.102) 5.280 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 1.769 -13.576 6.338) 15.087 3.942 ( 21.580 -16.064 5.870) 27.536 6.945 ( -10.729 7.013 1.106) 12.866 7.305 ( 8.069 1.728 -8.305) 11.708 7.751 ( -1.657 -0.166 -7.563) 7.744 8.005 ( 6.671 -1.644 0.717) 6.908 8.422 ( -1.403 -13.049 18.270) 22.495 10.213 ( -5.524 3.171 -4.839) 7.999 19.322 ( 1.240 -0.639 -0.002) 1.395 19.688 ( -0.464 -0.741 2.133) 2.305 38.979 ( 0.091 -1.684 1.524) 2.273 61.675 ( -1.328 7.857 -6.083) 10.025 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 7.352 -14.168 -1.763) 16.059 4.263 ( 32.778 -21.252 4.753) 39.353 6.794 ( -11.568 0.358 1.641) 11.689 7.316 ( 4.550 -11.207 -14.580) 18.944 7.738 ( 2.563 -1.026 -0.150) 2.764 7.972 ( -1.861 -8.175 -8.154) 11.695 8.515 ( 7.785 2.954 18.192) 20.007 10.118 ( -9.918 7.372 -0.373) 12.363 19.341 ( 1.842 -1.117 -0.205) 2.164 19.682 ( -0.465 -0.418 2.191) 2.279 38.979 ( 0.319 -0.687 2.500) 2.612 61.699 ( -2.413 9.798 -8.824) 13.405 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 0.000 -17.888 3.319) 18.193 3.591 ( 0.000 -20.160 4.889) 20.745 7.030 ( -0.000 -17.048 1.931) 17.157 7.213 ( -0.000 6.492 -12.646) 14.215 7.750 ( -0.000 9.694 -27.474) 29.134 7.923 ( 0.000 -3.790 8.337) 9.158 8.384 ( 0.000 -12.465 23.664) 26.746 10.297 ( 0.000 5.642 1.264) 5.782 19.305 ( -0.000 -0.732 0.022) 0.732 19.693 ( 0.000 -1.040 2.532) 2.738 38.974 ( 0.000 -1.019 2.924) 3.097 61.746 ( -0.000 10.513 -9.507) 14.174 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 2.543 -20.699 -2.654) 21.023 3.585 ( 21.184 -24.270 4.679) 32.553 6.747 ( -0.803 -33.786 -3.694) 33.996 7.202 ( -2.466 5.933 -15.895) 17.145 7.714 ( -1.638 7.872 -16.862) 18.681 7.923 ( -1.236 -5.726 3.197) 6.673 8.458 ( 7.818 -2.264 17.641) 19.428 10.338 ( -4.983 8.363 6.695) 11.815 19.306 ( 0.969 -0.981 -0.092) 1.382 19.692 ( -0.201 -0.897 2.774) 2.922 38.984 ( 0.177 -0.182 3.931) 3.939 61.796 ( -1.576 11.712 -12.553) 17.241 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -0.000 -25.533 -3.459) 25.766 3.154 ( -0.000 -27.473 3.986) 27.760 6.296 ( -0.000 -47.124 -12.067) 48.645 7.224 ( -0.000 5.477 -12.899) 14.013 7.767 ( -0.000 11.996 -22.465) 25.468 7.925 ( 0.000 -3.375 8.581) 9.221 8.396 ( 0.000 -5.233 12.575) 13.621 10.508 ( 0.000 9.231 12.371) 15.435 19.288 ( -0.000 -1.010 -0.106) 1.016 19.697 ( 0.000 -0.935 3.267) 3.398 39.002 ( 0.000 0.390 4.830) 4.845 61.871 ( -0.000 12.436 -15.682) 20.015 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 -0.000 15.454) 15.454 0.536 ( 0.000 -0.000 15.454) 15.454 3.571 ( 0.000 -0.000 90.777) 90.777 7.103 ( -0.000 0.000 -11.742) 11.742 7.103 ( -0.000 0.000 -11.742) 11.742 7.902 ( 0.000 -0.000 8.010) 8.010 7.902 ( 0.000 -0.000 8.010) 8.010 11.415 ( -0.000 0.000 -25.112) 25.112 19.218 ( 0.000 -0.000 0.524) 0.524 19.218 ( 0.000 -0.000 0.524) 0.524 39.113 ( -0.000 0.000 -0.923) 0.923 66.598 ( 0.000 -0.000 0.192) 0.192 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 26.176 15.113 11.590) 32.371 1.083 ( 37.991 21.934 15.211) 46.430 4.018 ( 5.983 3.455 84.257) 84.540 6.927 ( -5.630 -3.251 -10.632) 12.462 7.254 ( 10.938 6.315 -13.071) 18.176 7.999 ( 3.138 1.811 5.920) 6.941 8.028 ( 9.114 5.262 6.946) 12.609 11.174 ( -10.124 -5.845 -25.803) 28.327 19.221 ( 0.195 0.113 0.498) 0.547 19.277 ( 4.374 2.525 -1.619) 5.304 39.071 ( -2.864 -1.654 -0.543) 3.351 66.100 ( -39.381 -22.737 18.989) 49.279 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 28.163 16.260 9.941) 34.005 2.072 ( 40.089 23.146 20.793) 50.747 4.537 ( 10.993 6.347 69.120) 70.276 6.761 ( -5.135 -2.965 -9.336) 11.060 7.466 ( 12.301 7.102 -13.292) 19.453 8.093 ( 3.234 1.867 4.214) 5.631 8.266 ( 7.047 4.069 7.177) 10.850 10.804 ( -11.068 -6.390 -27.509) 30.333 19.231 ( 0.550 0.318 0.455) 0.782 19.378 ( 5.194 2.999 -3.594) 6.992 39.003 ( -2.580 -1.489 0.000) 2.979 65.217 ( -45.144 -26.064 34.539) 62.532 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 27.609 15.940 8.405) 32.969 3.033 ( 34.232 19.764 27.610) 48.216 5.106 ( 17.241 9.954 48.445) 52.376 6.617 ( -4.236 -2.446 -7.741) 9.157 7.689 ( 11.959 6.905 -14.135) 19.761 8.179 ( 2.907 1.679 2.974) 4.485 8.342 ( -4.108 -2.372 8.278) 9.541 10.489 ( -5.441 -3.141 -27.921) 28.619 19.249 ( 0.835 0.482 0.377) 1.035 19.478 ( 4.859 2.806 -3.831) 6.794 38.964 ( -0.915 -0.528 0.577) 1.204 64.382 ( -40.693 -23.494 34.222) 58.129 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 25.409 14.670 5.979) 29.942 3.825 ( 23.764 13.720 30.813) 41.260 5.734 ( 23.337 13.474 26.900) 38.076 6.505 ( -3.032 -1.751 -5.427) 6.459 7.877 ( 9.891 5.711 -15.704) 19.418 8.157 ( -13.034 -7.525 4.071) 15.592 8.247 ( 2.084 1.203 1.972) 3.111 10.330 ( 0.013 0.008 -20.771) 20.771 19.272 ( 0.979 0.565 0.249) 1.158 19.566 ( 4.231 2.443 -3.273) 5.881 38.965 ( 0.506 0.292 1.330) 1.453 63.649 ( -34.951 -20.179 26.304) 48.173 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 21.341 12.321 2.353) 24.754 4.366 ( 13.342 7.703 25.009) 29.373 6.319 ( 17.998 10.391 8.071) 22.295 6.437 ( -1.472 -0.850 -1.898) 2.548 7.906 ( -5.420 -3.129 0.728) 6.301 8.000 ( 6.596 3.808 -15.957) 17.681 8.288 ( 0.841 0.485 0.888) 1.316 10.270 ( -0.538 -0.311 -10.045) 10.065 19.295 ( 0.940 0.542 0.081) 1.088 19.641 ( 3.403 1.965 -2.611) 4.718 38.992 ( 1.082 0.625 1.916) 2.288 63.009 ( -28.985 -16.734 16.333) 37.242 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 14.918 8.613 -2.259) 17.373 4.642 ( 4.045 2.335 9.682) 10.750 6.429 ( 0.733 0.423 2.954) 3.073 6.485 ( -2.369 -1.368 -4.255) 5.058 8.043 ( 3.177 1.834 -16.339) 16.746 8.090 ( 19.778 11.419 4.767) 23.330 8.292 ( -0.566 -0.327 -0.485) 0.814 10.184 ( -5.489 -3.169 -0.929) 6.405 19.314 ( 0.716 0.413 -0.096) 0.832 19.698 ( 2.408 1.391 -2.117) 3.495 39.023 ( 0.879 0.507 1.886) 2.141 62.470 ( -22.571 -13.031 7.096) 27.012 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.263 ( 6.185 3.571 -6.593) 9.719 4.597 ( -8.188 -4.727 -11.379) 14.794 6.407 ( -0.257 -0.148 2.636) 2.652 6.501 ( 3.550 2.050 8.061) 9.044 8.003 ( -1.080 -0.624 -13.903) 13.959 8.259 ( -1.774 -1.024 -2.148) 2.969 8.668 ( 26.601 15.358 -1.160) 30.739 10.004 ( -11.234 -6.486 7.131) 14.803 19.325 ( 0.355 0.205 -0.236) 0.473 19.733 ( 1.372 0.792 -1.836) 2.425 39.044 ( 0.293 0.169 1.066) 1.118 62.047 ( -15.699 -9.064 0.205) 18.128 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.205 ( -18.067 -10.431 -23.979) 31.783 4.261 ( -3.333 -1.924 -8.761) 9.569 6.549 ( 9.492 5.480 11.620) 15.973 6.652 ( 5.808 3.353 11.571) 13.374 7.868 ( -6.882 -3.973 -8.793) 11.852 8.196 ( -2.504 -1.446 -3.957) 4.901 9.144 ( 13.509 7.799 -18.103) 23.896 9.809 ( -6.112 -3.529 19.658) 20.887 19.328 ( -0.062 -0.036 -0.296) 0.304 19.746 ( 0.464 0.268 -1.746) 1.826 39.046 ( -0.210 -0.121 -0.355) 0.429 61.761 ( -8.663 -5.002 -3.250) 10.518 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( -22.116 -12.769 -23.480) 34.691 4.048 ( -11.859 -6.847 -8.399) 16.064 6.848 ( 6.478 3.740 13.056) 15.047 6.894 ( 14.891 8.597 14.869) 22.732 7.593 ( -16.433 -9.487 0.962) 18.999 8.115 ( -2.752 -1.589 -5.746) 6.566 9.018 ( -11.571 -6.681 -19.114) 23.321 10.011 ( 12.683 7.323 11.175) 18.422 19.320 ( -0.444 -0.257 -0.248) 0.570 19.741 ( -0.180 -0.104 -1.855) 1.867 39.034 ( -0.328 -0.189 -1.994) 2.030 61.629 ( -1.863 -1.075 -2.427) 3.243 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -23.136 -13.358 -13.782) 30.061 3.664 ( -18.719 -10.807 -6.509) 22.574 7.047 ( 5.875 3.392 13.346) 14.971 7.055 ( -25.232 -14.568 -1.147) 29.158 7.363 ( 11.398 6.581 30.005) 32.765 8.024 ( -2.789 -1.610 -7.374) 8.046 8.658 ( -11.323 -6.537 -17.954) 22.210 10.318 ( 11.481 6.629 -1.850) 13.386 19.306 ( -0.725 -0.418 -0.100) 0.843 19.724 ( -0.549 -0.317 -2.277) 2.364 39.017 ( -0.063 -0.037 -3.536) 3.537 61.660 ( 4.488 2.591 3.520) 6.265 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 0.000 22.930 13.257) 26.486 1.378 ( 0.000 46.058 16.063) 48.778 4.375 ( 0.000 5.109 82.644) 82.802 6.989 ( -0.000 4.229 -11.638) 12.382 7.117 ( -0.000 5.343 -12.807) 13.877 7.926 ( 0.000 -1.742 8.919) 9.087 8.156 ( 0.000 15.560 3.929) 16.048 11.041 ( -0.000 -13.622 -28.366) 31.468 19.230 ( 0.000 0.524 0.502) 0.726 19.263 ( -0.000 3.854 -1.074) 4.001 39.068 ( -0.000 -3.364 -0.450) 3.394 66.167 ( 0.000 -40.349 14.546) 42.891 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 30.100 22.038 10.902) 38.866 2.035 ( 14.484 43.419 20.005) 49.952 4.787 ( 3.299 5.987 71.335) 71.662 6.862 ( -9.605 4.812 -10.040) 14.704 7.267 ( 11.771 6.313 -13.435) 18.945 8.003 ( 5.507 -2.245 7.647) 9.688 8.348 ( 1.452 16.181 3.057) 16.532 10.714 ( -5.331 -15.559 -29.800) 34.037 19.236 ( -0.071 0.794 0.450) 0.916 19.327 ( 3.136 3.904 -2.266) 5.497 39.018 ( -1.500 -3.106 0.406) 3.473 65.600 ( -23.625 -42.284 24.510) 54.284 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 27.785 23.873 8.889) 37.695 2.853 ( 24.907 31.832 25.527) 47.805 5.203 ( 7.311 6.868 52.822) 53.766 6.715 ( -8.702 5.137 -7.336) 12.488 7.480 ( 12.368 5.831 -13.532) 19.237 8.101 ( 4.983 -2.723 5.941) 8.219 8.489 ( -3.421 9.354 3.344) 10.506 10.365 ( -3.014 -11.212 -30.680) 32.803 19.249 ( 0.335 0.977 0.403) 1.109 19.415 ( 4.084 3.399 -2.961) 6.083 38.975 ( -0.978 -1.672 1.480) 2.438 64.837 ( -30.886 -37.597 28.292) 56.284 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 21.408 26.710 6.929) 34.925 3.665 ( 25.668 17.942 29.485) 43.013 5.624 ( 13.916 6.409 29.215) 32.988 6.616 ( -7.235 7.688 -3.172) 11.023 7.677 ( 11.311 4.139 -14.232) 18.645 8.144 ( 0.656 -6.294 5.205) 8.194 8.419 ( -10.357 3.322 -1.361) 10.961 10.180 ( 3.686 -3.663 -24.437) 24.984 19.269 ( 0.559 1.168 0.311) 1.331 19.505 ( 4.219 2.716 -2.913) 5.802 38.967 ( 0.173 -0.316 2.496) 2.522 64.071 ( -30.979 -32.105 24.311) 50.808 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 15.614 27.107 4.030) 31.541 4.278 ( 17.182 5.785 27.410) 32.863 6.024 ( 18.507 0.123 5.466) 19.297 6.610 ( -5.165 13.352 1.810) 14.430 7.812 ( 7.969 0.765 -14.943) 16.952 7.991 ( -7.281 -6.714 0.213) 9.906 8.337 ( -2.954 4.722 -1.809) 5.856 10.169 ( 5.194 -1.162 -12.987) 14.036 19.292 ( 0.557 1.319 0.172) 1.442 19.586 ( 3.888 1.949 -2.558) 5.046 38.990 ( 0.875 0.356 3.167) 3.305 63.359 ( -28.103 -26.742 16.533) 42.169 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 8.995 25.674 -0.454) 27.208 4.584 ( 7.168 -4.117 14.787) 16.940 6.265 ( 12.337 -3.636 -2.817) 13.167 6.633 ( -7.981 8.137 -3.041) 11.797 7.886 ( 10.071 2.337 -6.992) 12.481 7.965 ( 5.324 4.246 -4.365) 8.089 8.333 ( -2.265 3.615 -1.435) 4.501 10.174 ( 1.190 -3.608 -3.058) 4.877 19.314 ( 0.340 1.378 0.009) 1.419 19.652 ( 3.211 1.141 -2.198) 4.055 39.023 ( 0.826 0.321 3.142) 3.264 62.731 ( -23.474 -21.251 8.174) 32.702 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.307 ( -0.023 20.872 -6.670) 21.912 4.573 ( -1.892 -10.121 -4.080) 11.075 6.385 ( 3.979 -0.144 -3.465) 5.278 6.551 ( -2.496 4.877 4.782) 7.272 7.940 ( 1.939 0.005 -11.679) 11.839 8.309 ( -3.489 3.156 -2.390) 5.277 8.348 ( 24.276 11.060 -0.856) 26.690 10.094 ( -4.704 -7.468 5.281) 10.286 19.330 ( -0.037 1.319 -0.136) 1.326 19.698 ( 2.316 0.376 -1.942) 3.045 39.046 ( 0.263 -0.113 2.271) 2.289 62.216 ( -17.561 -15.523 1.366) 23.478 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.193 ( -10.991 -12.495 -20.134) 26.121 4.466 ( -9.933 16.238 -9.393) 21.226 6.437 ( 6.493 -1.019 4.164) 7.781 6.716 ( 4.804 11.373 11.273) 16.719 7.885 ( -2.569 -1.791 -8.064) 8.651 8.254 ( -4.783 3.122 -4.183) 7.080 8.831 ( 21.733 5.638 -12.237) 25.571 9.939 ( -6.852 -8.753 14.653) 18.392 19.337 ( -0.482 1.150 -0.215) 1.265 19.723 ( 1.373 -0.236 -1.810) 2.284 39.048 ( -0.362 -0.540 0.745) 0.989 61.844 ( -10.808 -9.754 -2.463) 14.766 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -16.372 -14.502 -22.592) 31.444 4.334 ( -19.060 14.655 -9.726) 25.935 6.634 ( 14.147 -2.718 9.640) 17.334 6.988 ( 5.069 15.665 12.080) 20.420 7.741 ( -8.806 -4.690 -0.106) 9.978 8.173 ( -5.739 2.975 -5.789) 8.677 8.959 ( 1.080 -6.728 -21.830) 22.869 9.932 ( 6.077 -2.127 17.174) 18.341 19.334 ( -0.895 0.905 -0.197) 1.288 19.727 ( 0.541 -0.608 -1.828) 2.001 39.031 ( -0.675 -0.658 -1.022) 1.391 61.640 ( -3.681 -4.306 -2.331) 6.126 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -18.779 -11.765 -14.091) 26.261 4.029 ( -26.187 10.061 -7.729) 29.098 6.899 ( 14.275 -3.902 8.364) 16.999 7.232 ( -2.717 7.521 3.349) 8.669 7.527 ( -9.419 -2.278 22.227) 24.247 8.064 ( -6.160 0.560 -6.655) 9.085 8.689 ( -8.764 -7.197 -20.957) 23.828 10.152 ( 12.102 0.187 4.770) 13.010 19.323 ( -1.192 0.627 -0.083) 1.349 19.715 ( -0.112 -0.717 -2.088) 2.210 39.007 ( -0.576 -0.402 -2.650) 2.741 61.618 ( 3.513 0.491 2.483) 4.330 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 30.524 11.439) 32.597 2.463 ( 0.000 45.121 23.369) 50.813 5.106 ( 0.000 5.500 62.420) 62.662 7.044 ( -0.000 9.884 -9.449) 13.673 7.099 ( -0.000 4.383 -13.810) 14.489 7.974 ( 0.000 -1.303 8.949) 9.043 8.514 ( 0.000 17.061 0.579) 17.071 10.449 ( -0.000 -19.395 -30.961) 36.535 19.246 ( 0.000 0.723 0.366) 0.810 19.333 ( -0.000 4.505 -1.995) 4.927 39.000 ( 0.000 -3.225 1.223) 3.449 65.435 ( 0.000 -48.536 23.169) 53.782 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 23.298 28.583 10.232) 38.268 3.057 ( 7.448 37.900 27.914) 47.656 5.404 ( 1.540 5.457 45.102) 45.457 6.919 ( -10.131 8.008 -8.062) 15.223 7.283 ( 11.034 6.440 -11.436) 17.146 8.032 ( 3.578 -1.755 7.953) 8.896 8.647 ( -2.341 10.709 -0.820) 10.993 10.126 ( -0.303 -14.972 -30.950) 34.382 19.256 ( 0.164 0.947 0.320) 1.013 19.388 ( 2.069 4.127 -2.179) 5.105 38.976 ( -0.418 -1.962 2.468) 3.181 64.918 ( -14.910 -46.799 23.798) 54.578 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 27.442 28.588 8.313) 40.490 3.664 ( 12.127 23.830 31.836) 41.575 5.640 ( 3.647 4.547 21.826) 22.591 6.830 ( -7.625 10.313 -2.852) 13.139 7.474 ( 10.333 4.220 -10.613) 15.402 8.097 ( 2.192 -3.363 6.451) 7.598 8.586 ( -8.586 -0.259 -6.287) 10.645 9.955 ( 5.286 -3.368 -24.070) 24.873 19.274 ( 0.477 1.293 0.302) 1.411 19.460 ( 3.006 3.312 -2.248) 5.006 38.974 ( 0.056 -0.471 3.655) 3.686 64.254 ( -21.609 -41.841 21.196) 51.642 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 20.528 32.172 5.948) 38.624 4.175 ( 13.392 5.969 31.571) 34.810 5.809 ( 7.934 1.532 -0.428) 8.091 6.840 ( -4.983 12.997 0.390) 13.925 7.621 ( 8.559 1.271 -10.021) 13.240 8.035 ( -5.558 -6.886 0.538) 8.865 8.422 ( -4.066 1.629 -6.960) 8.224 9.996 ( 7.495 1.529 -12.701) 14.827 19.299 ( 0.545 1.680 0.253) 1.784 19.533 ( 3.331 2.286 -2.140) 4.572 38.997 ( 0.552 0.373 4.352) 4.403 63.560 ( -23.165 -35.760 15.475) 45.331 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 9.629 35.013 3.144) 36.448 4.460 ( 7.780 -8.867 20.122) 23.325 5.975 ( 14.231 -0.334 -8.704) 16.685 6.841 ( -8.272 7.566 -4.975) 12.265 7.719 ( 7.619 0.531 -5.872) 9.634 7.928 ( 0.659 1.902 -3.927) 4.413 8.401 ( -1.306 4.090 -2.971) 5.221 10.077 ( 4.674 -1.127 -3.479) 5.935 19.326 ( 0.309 2.026 0.167) 2.056 19.598 ( 3.223 1.178 -1.976) 3.960 39.030 ( 0.545 0.368 4.269) 4.320 62.906 ( -21.461 -28.996 8.584) 37.082 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.427 ( -1.418 -14.995 -2.202) 15.222 4.604 ( 0.283 32.801 1.269) 32.826 6.215 ( 14.521 2.143 -6.206) 15.936 6.699 ( -8.247 3.361 -2.394) 9.222 7.828 ( 5.926 -0.657 -7.862) 9.867 8.100 ( 14.332 8.614 -1.793) 16.818 8.399 ( -2.937 4.886 -2.809) 6.355 10.082 ( -0.252 -6.079 4.062) 7.316 19.350 ( -0.169 2.230 0.073) 2.238 19.648 ( 2.785 0.149 -1.832) 3.337 39.053 ( 0.050 -0.185 3.353) 3.358 62.342 ( -17.473 -21.736 2.451) 27.996 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( -8.035 -15.996 -16.504) 24.348 4.839 ( -9.293 30.862 -4.160) 32.498 6.350 ( 3.641 -0.368 -4.480) 5.785 6.775 ( 6.899 11.142 9.790) 16.358 7.846 ( 1.720 -1.483 -7.620) 7.951 8.362 ( -3.870 5.086 -5.103) 8.178 8.467 ( 18.817 3.915 -6.676) 20.346 9.991 ( -4.043 -10.021 11.215) 15.574 19.364 ( -0.761 2.221 0.010) 2.348 19.680 ( 2.131 -0.623 -1.732) 2.816 39.055 ( -0.585 -0.782 1.836) 2.079 61.912 ( -11.877 -14.374 -1.436) 18.701 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( -12.353 -12.048 -19.943) 26.372 4.849 ( -20.167 27.459 -7.988) 34.993 6.430 ( 9.387 -2.981 3.468) 10.442 7.098 ( 7.125 16.621 11.353) 21.352 7.798 ( -2.420 -2.364 -2.941) 4.482 8.298 ( -6.400 5.285 -6.777) 10.715 8.693 ( 11.471 -5.683 -15.720) 20.273 9.898 ( -0.076 -9.487 16.138) 18.720 19.367 ( -1.316 1.983 0.015) 2.380 19.695 ( 1.383 -1.008 -1.701) 2.413 39.036 ( -0.988 -1.002 0.136) 1.413 61.649 ( -5.253 -7.473 -2.045) 9.361 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( -14.902 -6.366 -13.101) 20.838 4.639 ( -28.849 22.557 -7.638) 37.409 6.628 ( 14.699 -4.596 5.021) 16.198 7.376 ( 0.302 12.879 7.040) 14.680 7.710 ( -5.208 -0.716 8.632) 10.107 8.175 ( -8.805 -0.226 -5.693) 10.487 8.619 ( -0.933 -6.385 -19.047) 20.110 9.966 ( 9.331 -6.593 10.543) 15.546 19.359 ( -1.710 1.560 0.090) 2.317 19.694 ( 0.630 -0.978 -1.809) 2.151 39.007 ( -1.003 -0.706 -1.371) 1.840 61.573 ( 1.973 -1.601 1.273) 2.842 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.000 29.775 10.405) 31.540 3.489 ( 0.000 32.739 33.106) 46.560 5.610 ( 0.000 6.115 28.598) 29.245 7.062 ( -0.000 4.071 -14.497) 15.058 7.203 ( -0.000 10.777 -2.091) 10.978 8.019 ( 0.000 -1.715 8.499) 8.670 8.736 ( -0.000 2.972 -5.155) 5.951 9.870 ( -0.000 -8.562 -27.787) 29.076 19.264 ( 0.000 0.798 0.194) 0.821 19.406 ( -0.000 4.433 -1.713) 4.753 38.976 ( 0.000 -1.177 3.642) 3.828 64.656 ( 0.000 -49.364 21.255) 53.745 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 20.934 27.417 9.267) 35.718 3.930 ( 2.281 20.096 38.103) 43.138 5.746 ( -1.052 7.264 7.053) 10.180 7.003 ( -3.882 6.986 -9.733) 12.593 7.356 ( 5.381 7.187 -1.765) 9.151 8.059 ( 2.203 -2.373 7.568) 8.231 8.620 ( -4.647 -9.364 -12.714) 16.460 9.785 ( 3.536 5.174 -18.230) 19.277 19.277 ( 0.549 0.963 0.164) 1.121 19.452 ( 1.177 4.003 -1.514) 4.438 38.988 ( 0.057 -0.023 4.668) 4.669 64.167 ( -10.154 -47.049 18.353) 51.513 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 29.517 26.326 7.394) 40.237 4.255 ( 2.330 3.484 39.052) 39.277 5.781 ( -1.605 7.551 -11.608) 13.940 7.002 ( -1.912 8.892 -7.454) 11.759 7.495 ( 5.180 3.920 -1.110) 6.590 8.051 ( -3.028 -5.395 1.510) 6.368 8.409 ( -0.688 -5.510 -11.445) 12.721 9.885 ( 4.923 8.868 -8.956) 13.531 19.303 ( 0.984 1.372 0.186) 1.699 19.507 ( 1.759 3.049 -1.424) 3.797 39.015 ( 0.259 0.662 5.132) 5.181 63.570 ( -15.475 -41.813 13.960) 46.719 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( 24.242 20.009 4.538) 31.758 4.411 ( 2.883 -2.804 30.320) 30.586 5.786 ( 3.017 6.705 -17.550) 19.028 6.991 ( -4.963 5.007 -10.163) 12.369 7.606 ( 4.859 2.240 -0.339) 5.361 7.935 ( -2.071 0.438 -5.036) 5.463 8.401 ( 3.175 0.878 -3.211) 4.600 10.007 ( 3.199 4.932 -2.382) 6.343 19.338 ( 0.972 1.953 0.214) 2.192 19.558 ( 2.045 1.746 -1.393) 3.028 39.048 ( 0.194 0.538 4.819) 4.853 62.956 ( -16.922 -34.753 8.603) 39.600 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( -0.398 -20.563 7.238) 21.803 4.923 ( 9.033 36.531 4.812) 37.938 5.926 ( 15.149 3.985 -10.737) 18.991 6.850 ( -8.607 1.816 -8.569) 12.280 7.696 ( 4.891 -0.461 -2.892) 5.700 8.002 ( 6.239 7.830 -3.477) 10.598 8.452 ( 1.043 3.134 -1.982) 3.852 10.053 ( -0.102 -1.620 2.927) 3.347 19.374 ( 0.439 2.566 0.242) 2.614 19.598 ( 2.182 0.332 -1.409) 2.619 39.068 ( -0.226 -0.170 3.789) 3.799 62.398 ( -15.393 -26.588 3.498) 30.921 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( -4.392 -18.016 -7.989) 20.191 5.311 ( -6.232 36.354 0.309) 36.886 6.221 ( 12.612 4.648 -8.301) 15.798 6.782 ( 3.645 4.799 3.275) 6.859 7.738 ( 4.068 -2.554 -5.936) 7.636 8.210 ( 10.637 4.781 -3.697) 12.234 8.472 ( -1.980 4.805 -3.301) 6.156 9.996 ( -3.209 -8.170 7.747) 11.707 19.403 ( -0.482 2.960 0.281) 3.012 19.627 ( 2.210 -0.830 -1.451) 2.770 39.067 ( -0.781 -0.936 2.335) 2.634 61.950 ( -11.621 -18.071 -0.140) 21.485 ======================= Grid point 887 (308/417) ======================= q-point: (-0.25 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( -7.464 -10.109 -14.147) 18.922 5.455 ( -16.636 33.196 -3.128) 37.263 6.300 ( 2.719 -0.803 -3.974) 4.882 7.125 ( 15.462 14.916 9.984) 23.691 7.740 ( 2.985 -3.794 -6.276) 7.918 8.357 ( 4.708 -1.899 -7.037) 8.677 8.469 ( 0.066 4.318 -5.622) 7.089 9.874 ( -2.846 -12.296 11.774) 17.261 19.416 ( -1.460 2.853 0.333) 3.222 19.646 ( 2.037 -1.347 -1.493) 2.862 39.045 ( -1.160 -1.269 0.851) 1.919 61.654 ( -6.246 -10.042 -1.373) 11.905 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( -9.942 -1.239 -10.726) 14.678 5.358 ( -27.871 28.407 -5.165) 40.130 6.376 ( 10.156 -4.584 1.358) 11.225 7.520 ( 3.662 15.646 7.605) 17.777 7.732 ( 4.180 -2.056 -2.713) 5.390 8.269 ( -6.328 -5.174 -4.558) 9.359 8.491 ( 2.189 1.406 -11.145) 11.445 9.803 ( 4.020 -12.515 11.691) 17.592 19.412 ( -2.142 2.198 0.383) 3.093 19.658 ( 1.545 -1.100 -1.551) 2.450 39.014 ( -1.203 -0.976 -0.356) 1.590 61.533 ( 0.226 -3.302 0.400) 3.334 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 0.000 25.485 9.030) 27.038 4.230 ( 0.000 6.447 44.744) 45.206 5.846 ( -0.000 11.629 -10.776) 15.854 7.020 ( -0.000 4.388 -14.864) 15.498 7.414 ( 0.000 8.673 5.037) 10.030 8.049 ( 0.000 -2.315 8.185) 8.506 8.458 ( -0.000 -15.646 -17.766) 23.673 9.798 ( -0.000 14.161 -10.165) 17.431 19.281 ( 0.000 0.783 0.066) 0.786 19.479 ( -0.000 4.133 -0.975) 4.247 39.012 ( 0.000 0.651 5.285) 5.325 63.852 ( 0.000 -47.421 15.593) 49.918 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 20.361 22.462 8.027) 31.361 4.400 ( -0.635 -10.186 44.991) 46.134 5.874 ( -3.531 14.742 -22.629) 27.237 7.016 ( 1.378 5.086 -14.310) 15.249 7.519 ( 0.490 6.523 5.489) 8.539 8.052 ( -1.597 -3.839 3.171) 5.229 8.257 ( 2.633 -8.922 -12.856) 15.869 9.931 ( 1.010 15.097 -4.703) 15.845 19.297 ( 0.935 0.891 0.054) 1.293 19.519 ( 0.408 3.629 -0.673) 3.713 39.043 ( 0.058 0.958 5.261) 5.348 63.392 ( -7.151 -43.836 12.288) 46.084 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 28.089 15.882 7.222) 33.066 4.410 ( 1.995 -17.292 34.029) 38.223 5.849 ( -4.976 15.413 -21.557) 26.963 7.019 ( -0.160 3.901 -14.394) 14.914 7.602 ( 0.642 3.709 4.238) 5.669 7.962 ( -2.666 1.553 -5.891) 6.650 8.288 ( 7.305 -2.246 -0.804) 7.684 10.057 ( -0.469 10.790 -1.266) 10.874 19.330 ( 1.691 1.245 0.071) 2.101 19.555 ( 0.425 2.636 -0.534) 2.722 39.073 ( -0.064 0.591 4.549) 4.587 62.873 ( -10.984 -37.380 8.394) 39.854 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -0.903 -22.767 13.342) 26.404 4.882 ( 32.647 20.467 10.432) 39.920 5.848 ( -2.616 13.071 -13.015) 18.630 6.950 ( -5.260 3.747 -12.756) 14.297 7.644 ( 0.796 0.278 0.868) 1.210 7.995 ( 2.328 8.506 -3.662) 9.549 8.397 ( 6.307 -0.377 0.532) 6.340 10.100 ( -3.154 3.775 1.096) 5.040 19.378 ( 1.902 1.849 0.109) 2.655 19.579 ( 0.363 1.273 -0.529) 1.426 39.087 ( -0.418 -0.278 3.345) 3.382 62.372 ( -11.801 -29.104 4.468) 31.722 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( -2.749 -19.193 1.818) 19.474 5.664 ( 16.528 31.960 7.399) 36.733 5.940 ( 12.671 4.882 -7.253) 15.395 6.836 ( -6.554 4.593 -7.465) 10.944 7.652 ( 1.269 -1.407 -2.118) 2.842 8.131 ( 4.776 6.888 -1.817) 8.577 8.486 ( 3.261 1.309 -0.579) 3.562 10.030 ( -5.647 -4.180 3.138) 7.695 19.429 ( 1.270 2.701 0.231) 2.994 19.589 ( 0.586 -0.328 -0.681) 0.956 39.080 ( -0.852 -1.153 1.995) 2.457 61.950 ( -10.112 -20.104 1.307) 22.541 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -3.158 -9.061 -5.363) 10.993 5.928 ( -4.400 17.427 3.487) 18.309 6.344 ( 0.927 21.696 -9.253) 23.605 6.902 ( 19.777 2.096 4.359) 20.360 7.644 ( 1.064 -1.801 -3.500) 4.078 8.248 ( 3.882 1.803 -0.924) 4.379 8.522 ( -0.534 2.911 -3.250) 4.395 9.866 ( -6.041 -11.203 5.495) 13.863 19.470 ( -0.521 3.410 0.530) 3.490 19.592 ( 1.570 -1.665 -1.040) 2.514 39.055 ( -1.131 -1.541 0.838) 2.088 61.652 ( -6.464 -11.494 -0.353) 13.191 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( -4.259 1.913 -6.184) 7.748 6.000 ( -9.954 16.072 2.309) 19.045 6.300 ( -11.212 9.347 -4.943) 15.412 7.425 ( 25.515 1.085 -2.701) 25.680 7.642 ( 0.704 6.373 1.097) 6.505 8.274 ( -0.990 -1.562 1.167) 2.187 8.504 ( -2.472 3.834 -6.849) 8.229 9.685 ( -1.814 -15.352 7.719) 17.279 19.476 ( -2.373 2.441 0.722) 3.479 19.607 ( 2.417 -1.126 -1.308) 2.970 39.023 ( -1.129 -1.237 0.058) 1.676 61.506 ( -1.351 -4.278 0.028) 4.487 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 0.000 19.377 7.898) 20.925 4.425 ( 0.000 -24.014 42.801) 49.078 5.964 ( -0.000 16.966 -24.961) 30.181 6.987 ( -0.000 5.098 -14.980) 15.824 7.605 ( 0.000 5.496 5.406) 7.709 8.068 ( 0.000 -2.803 8.153) 8.622 8.090 ( -0.000 -3.727 -14.213) 14.693 10.070 ( 0.000 15.868 -2.181) 16.018 19.296 ( 0.000 0.696 0.023) 0.696 19.551 ( 0.000 3.559 -0.152) 3.563 39.074 ( 0.000 0.893 4.674) 4.758 63.072 ( 0.000 -41.817 10.301) 43.067 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 19.035 14.959 7.551) 25.360 4.305 ( -0.261 -29.211 32.998) 44.070 6.001 ( -3.350 15.442 -17.738) 23.755 6.988 ( 1.160 5.299 -14.907) 15.864 7.661 ( -0.835 2.962 4.342) 5.322 8.014 ( -2.248 5.311 -4.778) 7.489 8.145 ( 6.236 -1.918 2.793) 7.097 10.194 ( -1.735 12.301 -1.306) 12.491 19.313 ( 1.243 0.732 0.021) 1.443 19.583 ( -0.206 2.974 0.173) 2.986 39.097 ( -0.134 0.293 3.537) 3.552 62.676 ( -4.986 -36.436 7.870) 37.609 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -0.323 -21.729 17.308) 27.782 4.471 ( 32.117 6.703 11.064) 34.624 6.022 ( -4.475 13.736 -7.765) 16.402 6.996 ( -0.358 7.246 -14.264) 16.003 7.671 ( -1.894 0.894 3.004) 3.662 8.059 ( -0.365 9.864 -1.630) 10.004 8.264 ( 7.748 -1.419 2.939) 8.408 10.224 ( -4.896 6.053 -1.543) 7.936 19.352 ( 2.327 0.922 -0.027) 2.503 19.601 ( -0.708 2.073 0.366) 2.221 39.102 ( -0.431 -0.660 2.201) 2.338 62.270 ( -7.513 -28.744 5.166) 30.156 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( -2.487 -19.902 11.128) 22.937 5.257 ( 41.669 10.444 5.512) 43.310 6.056 ( -4.254 11.775 0.334) 12.524 6.998 ( -4.608 12.690 -11.934) 18.019 7.648 ( -2.016 -0.325 1.601) 2.595 8.154 ( 0.883 7.866 0.558) 7.935 8.394 ( 7.110 -1.012 2.295) 7.540 10.128 ( -8.100 -1.350 -2.104) 8.477 19.409 ( 3.001 1.220 -0.142) 3.243 19.601 ( -1.297 1.040 0.468) 1.728 39.088 ( -0.754 -1.520 1.041) 1.991 61.912 ( -7.710 -19.993 2.614) 21.587 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -0.611 -9.536 4.413) 10.525 5.978 ( 16.550 4.212 -4.475) 17.654 6.215 ( 22.464 11.647 10.474) 27.386 6.974 ( -12.310 18.562 -6.721) 23.264 7.623 ( -0.279 -0.300 -0.176) 0.446 8.236 ( 1.237 3.810 1.247) 4.195 8.494 ( 4.389 -0.579 1.052) 4.551 9.914 ( -9.779 -8.387 -1.953) 13.030 19.475 ( 3.165 1.585 -0.304) 3.553 19.582 ( -1.818 0.039 0.503) 1.887 39.059 ( -0.922 -1.847 0.300) 2.086 61.645 ( -5.908 -11.470 0.734) 12.923 ======================= Grid point 920 (322/417) ======================= q-point: (-0.19 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 0.871 1.508 -0.000) 1.742 6.053 ( 0.283 0.489 -0.000) 0.565 6.843 ( -0.724 -1.265 0.000) 1.458 6.898 ( 11.682 20.243 0.000) 23.372 7.674 ( 4.545 7.872 -0.000) 9.090 8.282 ( 0.920 1.594 0.000) 1.841 8.536 ( 0.289 0.500 -0.000) 0.577 9.639 ( -8.023 -13.896 -0.000) 16.046 19.543 ( 1.724 2.985 -0.000) 3.447 19.546 ( -1.051 -1.819 0.000) 2.100 39.027 ( -0.848 -1.469 0.000) 1.696 61.496 ( -2.483 -4.300 -0.000) 4.966 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 0.000 12.571 7.711) 14.747 4.130 ( 0.000 -32.413 29.422) 43.775 6.108 ( -0.000 12.913 -10.152) 16.426 6.969 ( -0.000 5.927 -14.881) 16.018 7.712 ( 0.000 2.050 3.679) 4.211 8.076 ( 0.000 -3.323 8.066) 8.724 8.113 ( -0.000 12.402 -4.867) 13.323 10.315 ( -0.000 9.681 -2.614) 10.028 19.308 ( 0.000 0.532 0.061) 0.535 19.615 ( 0.000 2.691 0.634) 2.765 39.110 ( 0.000 -0.407 2.147) 2.185 62.407 ( 0.000 -32.211 6.857) 32.933 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -1.072 -18.160 19.136) 26.403 4.091 ( 20.211 -1.558 13.310) 24.250 6.183 ( -2.342 12.019 -2.523) 12.502 6.988 ( 2.144 7.355 -14.606) 16.493 7.731 ( -1.544 1.508 3.564) 4.167 8.110 ( 3.481 -2.433 7.423) 8.552 8.233 ( -0.314 13.057 -0.478) 13.069 10.343 ( -3.581 4.565 -4.774) 7.514 19.326 ( 1.421 0.479 0.051) 1.501 19.637 ( -0.609 2.067 0.933) 2.348 39.106 ( -0.265 -1.297 0.854) 1.575 62.115 ( -3.367 -25.559 5.309) 26.320 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -2.659 -20.048 18.504) 27.411 4.675 ( 36.347 4.289 7.689) 37.398 6.238 ( -4.278 10.295 2.060) 11.337 7.076 ( 3.871 12.350 -13.290) 18.551 7.718 ( -3.355 1.120 3.977) 5.322 8.196 ( 4.672 -1.508 7.317) 8.811 8.339 ( -0.553 8.896 1.753) 9.084 10.237 ( -7.702 -1.317 -7.032) 10.512 19.365 ( 2.646 0.440 -0.085) 2.684 19.642 ( -1.362 1.378 1.126) 2.240 39.084 ( -0.520 -1.985 0.029) 2.052 61.846 ( -4.923 -17.684 3.399) 18.669 ======================= Grid point 936 (326/417) ======================= q-point: (-0.25 -0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 0.069 -11.566 12.795) 17.248 5.406 ( 41.166 0.754 4.377) 41.405 6.252 ( -4.513 6.074 3.277) 8.246 7.249 ( 2.729 20.420 -9.611) 22.733 7.670 ( -5.037 0.105 4.613) 6.831 8.276 ( 0.740 0.669 6.323) 6.401 8.412 ( 2.984 1.179 2.682) 4.182 10.003 ( -11.053 -6.274 -8.400) 15.235 19.421 ( 3.430 0.206 -0.369) 3.456 19.629 ( -2.054 0.965 1.260) 2.596 39.052 ( -0.620 -2.119 -0.219) 2.219 61.635 ( -4.747 -9.888 1.477) 11.067 ======================= Grid point 950 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 0.000 -25.883 26.084) 36.747 3.937 ( 0.000 5.224 8.263) 9.776 6.327 ( 0.000 13.244 1.882) 13.377 6.969 ( -0.000 6.706 -14.570) 16.039 7.773 ( 0.000 1.243 3.178) 3.412 8.071 ( 0.000 -3.920 7.695) 8.636 8.396 ( 0.000 14.150 4.544) 14.862 10.376 ( -0.000 1.001 -8.244) 8.305 19.317 ( 0.000 0.281 0.137) 0.312 19.666 ( 0.000 1.603 1.282) 2.053 39.093 ( -0.000 -1.970 -0.147) 1.975 61.936 ( 0.000 -20.166 4.700) 20.706 ======================= Grid point 951 (328/417) ======================= q-point: (-0.31 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( -2.880 -19.942 23.263) 30.776 4.215 ( 22.790 0.274 9.096) 24.539 6.438 ( -4.389 13.130 3.146) 14.197 7.031 ( 5.850 9.135 -13.469) 17.294 7.784 ( -1.236 0.704 2.867) 3.200 8.103 ( 4.404 -4.005 7.624) 9.673 8.517 ( -3.586 9.947 8.401) 13.505 10.287 ( -4.637 -2.551 -11.235) 12.419 19.332 ( 1.449 0.132 0.101) 1.458 19.678 ( -0.772 1.023 1.493) 1.968 39.067 ( -0.236 -2.360 -0.477) 2.419 61.765 ( -2.236 -13.590 3.351) 14.175 ======================= Grid point 952 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.497 ( -0.541 -14.522 18.157) 23.257 4.747 ( 35.671 -4.021 7.851) 36.745 6.449 ( -8.087 9.737 0.463) 12.666 7.237 ( 10.331 13.353 -10.700) 19.988 7.768 ( -2.435 0.100 2.744) 3.670 8.202 ( 7.050 -3.288 8.235) 11.328 8.527 ( -7.118 3.081 9.660) 12.389 10.082 ( -9.202 -4.111 -12.706) 16.218 19.368 ( 2.573 -0.131 -0.098) 2.578 19.674 ( -1.460 0.635 1.597) 2.255 39.038 ( -0.330 -2.220 -0.189) 2.253 61.626 ( -3.224 -7.004 1.511) 7.857 ======================= Grid point 967 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 0.000 -19.632 24.933) 31.734 4.031 ( 0.000 -3.214 8.508) 9.095 6.653 ( 0.000 16.633 3.384) 16.974 6.987 ( -0.000 7.334 -14.065) 15.862 7.801 ( 0.000 -0.743 0.470) 0.879 8.053 ( 0.000 -4.229 7.278) 8.417 8.673 ( 0.000 4.048 14.313) 14.874 10.247 ( -0.000 -2.607 -13.936) 14.178 19.321 ( 0.000 -0.057 0.194) 0.202 19.699 ( 0.000 0.484 1.720) 1.787 39.044 ( -0.000 -2.418 -0.232) 2.429 61.687 ( 0.000 -8.499 2.382) 8.826 ======================= Grid point 968 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( -1.665 -17.743 20.448) 27.124 4.215 ( 22.249 -8.296 8.767) 25.312 6.714 ( -9.642 13.199 -2.286) 16.504 7.126 ( 10.490 10.594 -10.293) 18.117 7.772 ( -0.334 -3.402 -3.072) 4.596 8.091 ( 5.280 -3.651 7.154) 9.612 8.699 ( -5.040 -4.011 17.831) 18.959 10.128 ( -5.238 0.151 -13.818) 14.778 19.332 ( 1.340 -0.286 0.120) 1.376 19.703 ( -0.726 0.080 1.842) 1.981 39.021 ( -0.120 -2.022 0.561) 2.102 61.621 ( -1.577 -3.372 0.694) 3.787 ======================= Grid point 984 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 0.000 -20.643 19.753) 28.571 3.945 ( 0.000 -12.641 7.747) 14.826 6.995 ( 0.000 15.783 -1.203) 15.829 7.018 ( -0.000 7.484 -13.547) 15.477 7.687 ( -0.000 -8.560 -11.487) 14.325 8.033 ( 0.000 -3.908 7.177) 8.172 8.747 ( 0.000 -11.668 21.690) 24.629 10.152 ( -0.000 5.975 -10.589) 12.158 19.318 ( 0.000 -0.451 0.183) 0.487 19.716 ( 0.000 -0.348 2.030) 2.060 39.009 ( 0.000 -1.484 1.719) 2.271 61.619 ( -0.000 0.290 -0.796) 0.847 ======================= Grid point 1105 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 -0.000 15.426) 15.426 0.734 ( 0.000 -0.000 15.426) 15.426 4.701 ( 0.000 -0.000 87.167) 87.167 6.956 ( -0.000 0.000 -11.318) 11.318 6.956 ( -0.000 0.000 -11.318) 11.318 7.997 ( 0.000 -0.000 6.979) 6.979 7.997 ( 0.000 -0.000 6.979) 6.979 11.046 ( -0.000 0.000 -33.067) 33.067 19.225 ( 0.000 -0.000 0.504) 0.504 19.225 ( 0.000 -0.000 0.504) 0.504 39.100 ( -0.000 0.000 -1.147) 1.147 66.601 ( 0.000 -0.000 0.238) 0.238 ======================= Grid point 1106 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 24.665 14.241 10.916) 30.501 1.284 ( 39.112 22.581 16.021) 47.920 5.068 ( 0.552 0.319 80.839) 80.842 6.799 ( -4.945 -2.855 -9.353) 10.959 7.089 ( 10.362 5.982 -12.621) 17.391 8.068 ( 2.252 1.300 5.057) 5.686 8.117 ( 8.458 4.883 6.791) 11.895 10.789 ( -8.989 -5.190 -34.671) 36.191 19.227 ( 0.180 0.104 0.492) 0.534 19.265 ( 3.004 1.735 -0.502) 3.505 39.065 ( -2.321 -1.340 -0.399) 2.710 66.267 ( -27.648 -15.963 8.855) 33.130 ======================= Grid point 1107 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 27.487 15.869 8.288) 32.803 2.327 ( 43.395 25.054 19.295) 53.695 5.401 ( 1.476 0.852 65.950) 65.972 6.655 ( -4.500 -2.598 -7.135) 8.827 7.296 ( 12.058 6.962 -12.606) 18.782 8.142 ( 2.568 1.483 3.439) 4.541 8.353 ( 7.589 4.382 6.222) 10.747 10.401 ( -10.277 -5.933 -35.798) 37.714 19.237 ( 0.516 0.298 0.448) 0.746 19.345 ( 4.298 2.481 -1.798) 5.278 39.012 ( -2.175 -1.256 1.177) 2.774 65.547 ( -38.575 -22.271 18.815) 48.353 ======================= Grid point 1108 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 26.800 15.473 5.957) 31.514 3.359 ( 37.856 21.856 23.777) 49.760 5.705 ( 5.164 2.981 44.508) 44.906 6.538 ( -3.503 -2.022 -4.531) 6.073 7.513 ( 11.188 6.459 -12.309) 17.844 8.211 ( 2.422 1.398 2.092) 3.493 8.415 ( -5.389 -3.111 2.933) 6.879 10.106 ( -1.377 -0.795 -31.917) 31.957 19.254 ( 0.776 0.448 0.355) 0.963 19.439 ( 4.584 2.647 -2.369) 5.799 38.986 ( -0.730 -0.421 2.678) 2.808 64.725 ( -40.060 -23.128 20.492) 50.593 ======================= Grid point 1109 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 24.123 13.927 2.856) 28.001 4.192 ( 24.418 14.098 27.184) 39.166 6.031 ( 11.736 6.776 18.068) 22.586 6.463 ( -1.955 -1.129 -1.200) 2.556 7.688 ( 8.582 4.955 -12.381) 15.858 8.156 ( -14.187 -8.191 -4.380) 16.957 8.265 ( 1.656 0.956 0.798) 2.072 10.073 ( 6.426 3.710 -19.186) 20.571 19.274 ( 0.897 0.518 0.211) 1.057 19.531 ( 4.275 2.468 -2.402) 5.489 38.998 ( 0.470 0.271 3.682) 3.722 63.915 ( -37.404 -21.595 15.887) 46.020 ======================= Grid point 1110 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 19.557 11.291 -1.212) 22.615 4.660 ( 7.329 4.232 21.625) 23.222 6.328 ( 9.612 5.549 -8.083) 13.730 6.444 ( 0.118 0.068 3.060) 3.063 7.797 ( 6.074 3.507 -9.406) 11.733 7.916 ( -1.876 -1.083 -4.023) 4.569 8.289 ( 0.362 0.209 -0.635) 0.761 10.158 ( 4.707 2.717 -7.488) 9.253 19.295 ( 0.847 0.489 0.036) 0.979 19.611 ( 3.546 2.047 -2.232) 4.663 39.030 ( 0.737 0.425 3.889) 3.981 63.168 ( -32.376 -18.692 8.766) 38.399 ======================= Grid point 1111 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.987 ( 13.033 7.525 -5.563) 16.044 4.713 ( -6.772 -3.910 1.215) 7.913 6.368 ( 1.111 0.641 -13.605) 13.665 6.498 ( 2.607 1.505 7.763) 8.326 7.882 ( 2.620 1.512 -8.987) 9.482 8.116 ( 19.590 11.310 -0.363) 22.623 8.275 ( -1.134 -0.655 -2.250) 2.603 10.189 ( -1.276 -0.736 1.606) 2.179 19.312 ( 0.634 0.366 -0.131) 0.744 19.671 ( 2.546 1.470 -2.045) 3.581 39.057 ( 0.182 0.105 3.167) 3.174 62.527 ( -25.561 -14.758 2.031) 29.585 ======================= Grid point 1112 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.165 ( 5.041 2.911 -8.648) 10.424 4.394 ( -16.184 -9.344 -20.063) 27.418 6.411 ( 6.752 3.898 -1.905) 8.026 6.627 ( 4.976 2.873 11.546) 12.897 7.873 ( -0.351 -0.203 -6.950) 6.962 8.220 ( -2.408 -1.390 -3.954) 4.834 8.602 ( 21.404 12.357 -8.295) 26.070 10.118 ( -6.494 -3.749 10.423) 12.840 19.322 ( 0.307 0.177 -0.244) 0.430 19.709 ( 1.461 0.844 -1.909) 2.548 39.062 ( -0.664 -0.383 1.697) 1.862 62.033 ( -17.459 -10.080 -2.331) 20.294 ======================= Grid point 1113 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -18.839 -10.877 -26.467) 34.259 4.145 ( -3.276 -1.892 -9.294) 10.035 6.651 ( 13.213 7.628 4.036) 15.781 6.812 ( 6.371 3.678 13.377) 15.266 7.807 ( -3.934 -2.272 -1.590) 4.813 8.135 ( -3.161 -1.825 -5.628) 6.708 8.895 ( 7.093 4.095 -19.687) 21.323 10.047 ( -2.897 -1.672 17.451) 17.768 19.324 ( -0.060 -0.035 -0.265) 0.274 19.723 ( 0.476 0.275 -1.874) 1.953 39.043 ( -1.245 -0.719 -0.085) 1.440 61.721 ( -8.673 -5.007 -3.013) 10.458 ======================= Grid point 1122 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 20.343 14.746) 25.125 1.566 ( 0.000 49.343 13.260) 51.094 5.400 ( 0.000 -2.325 78.273) 78.308 6.859 ( -0.000 4.368 -8.422) 9.487 6.957 ( -0.000 4.458 -12.294) 13.077 8.030 ( 0.000 -0.945 7.368) 7.428 8.205 ( 0.000 13.196 3.764) 13.722 10.625 ( -0.000 -11.784 -37.107) 38.933 19.236 ( 0.000 0.491 0.387) 0.625 19.255 ( 0.000 2.681 -0.218) 2.690 39.063 ( -0.000 -2.496 -0.303) 2.515 66.297 ( 0.000 -29.573 6.995) 30.389 ======================= Grid point 1123 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 28.038 21.339 11.208) 36.975 2.262 ( 16.241 48.101 15.664) 53.131 5.663 ( -0.736 -4.897 65.169) 65.357 6.755 ( -8.581 4.936 -6.418) 11.798 7.110 ( 11.463 6.353 -10.169) 16.588 8.090 ( 3.788 -1.188 6.047) 7.234 8.387 ( 2.798 13.944 2.974) 14.529 10.280 ( -5.219 -13.697 -38.362) 41.067 19.241 ( -0.035 0.741 0.373) 0.831 19.307 ( 2.537 3.120 -0.974) 4.137 39.028 ( -1.129 -2.192 1.080) 2.692 65.829 ( -19.591 -35.236 12.867) 42.319 ======================= Grid point 1124 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 25.927 24.202 7.276) 36.206 3.144 ( 27.330 36.302 20.172) 49.716 5.832 ( 0.468 -6.755 44.210) 44.726 6.650 ( -7.630 6.321 -2.606) 10.245 7.333 ( 11.371 5.852 -7.783) 14.971 8.165 ( 3.468 -1.175 4.171) 5.550 8.515 ( -3.193 5.464 0.542) 6.352 9.940 ( -0.736 -7.244 -35.774) 36.508 19.253 ( 0.330 0.930 0.346) 1.045 19.387 ( 3.638 3.097 -1.641) 5.052 39.003 ( -0.677 -0.978 2.790) 3.033 65.112 ( -29.101 -35.331 15.991) 48.486 ======================= Grid point 1125 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 19.692 27.180 3.790) 33.778 4.010 ( 27.221 21.280 24.685) 42.464 5.933 ( 5.263 -8.438 18.407) 20.922 6.607 ( -6.305 9.910 1.098) 11.797 7.532 ( 9.514 3.885 -6.654) 12.242 8.185 ( -2.103 -6.278 0.799) 6.669 8.366 ( -9.797 0.097 -6.781) 11.916 9.878 ( 9.105 2.812 -22.368) 24.313 19.272 ( 0.504 1.135 0.261) 1.269 19.474 ( 4.016 2.692 -1.927) 5.205 39.010 ( 0.233 0.097 4.027) 4.035 64.310 ( -31.948 -32.648 13.896) 47.746 ======================= Grid point 1126 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.546 ( 13.358 27.570 -0.119) 30.636 4.614 ( 13.777 4.245 25.715) 29.480 6.028 ( 12.781 -7.786 -5.345) 15.892 6.622 ( -5.903 11.854 -0.629) 13.257 7.674 ( 7.174 1.822 -5.342) 9.128 7.947 ( -7.390 -5.556 -6.761) 11.453 8.314 ( -1.169 3.342 -1.763) 3.955 10.023 ( 9.688 3.707 -9.737) 14.227 19.294 ( 0.462 1.305 0.131) 1.391 19.557 ( 3.832 2.034 -1.968) 4.764 39.040 ( 0.615 0.451 4.396) 4.462 63.517 ( -30.578 -28.321 8.548) 42.546 ======================= Grid point 1127 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.970 ( 6.367 25.470 -4.652) 26.663 4.743 ( -3.011 -10.596 9.828) 14.763 6.170 ( 13.009 -1.830 -13.542) 18.868 6.600 ( -5.648 6.404 0.411) 8.549 7.797 ( 5.737 1.120 -4.777) 7.549 7.935 ( 10.190 6.354 -2.227) 12.213 8.309 ( -2.308 2.901 -2.507) 4.475 10.150 ( 4.906 -0.030 -0.745) 4.962 19.314 ( 0.227 1.389 -0.012) 1.408 19.626 ( 3.216 1.247 -1.911) 3.944 39.069 ( 0.218 0.104 3.807) 3.815 62.798 ( -26.173 -22.752 2.591) 34.777 ======================= Grid point 1128 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.199 ( -2.261 15.373 -10.144) 18.556 4.472 ( -11.831 -8.923 -11.677) 18.866 6.299 ( 7.790 2.680 -8.572) 11.889 6.654 ( 2.951 5.741 10.636) 12.442 7.833 ( 1.840 -0.111 -5.850) 6.133 8.265 ( -2.639 2.605 -4.542) 5.863 8.310 ( 19.451 8.931 -4.381) 21.848 10.175 ( -0.808 -4.395 7.131) 8.415 19.328 ( -0.140 1.362 -0.125) 1.375 19.674 ( 2.331 0.470 -1.833) 3.003 39.077 ( -0.629 -0.549 2.480) 2.617 62.212 ( -19.494 -16.328 -1.825) 25.494 ======================= Grid point 1129 (349/417) ======================= q-point: (-0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.913 ( -14.221 -14.227 -23.566) 30.984 4.339 ( -11.413 18.874 -10.172) 24.290 6.463 ( 11.892 1.183 -0.215) 11.952 6.866 ( 5.258 10.976 12.455) 17.414 7.819 ( -0.532 -1.020 -3.184) 3.385 8.189 ( -5.238 2.405 -5.965) 8.295 8.660 ( 15.066 2.855 -13.392) 20.359 10.125 ( -2.600 -6.390 14.123) 15.718 19.334 ( -0.551 1.230 -0.167) 1.358 19.700 ( 1.357 -0.171 -1.784) 2.248 39.058 ( -1.390 -1.049 0.867) 1.945 61.808 ( -11.259 -9.572 -3.216) 15.124 ======================= Grid point 1139 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 29.119 12.499) 31.688 2.710 ( 0.000 52.150 15.517) 54.410 5.852 ( 0.000 -9.277 52.734) 53.544 6.927 ( -0.000 3.582 -13.066) 13.548 6.988 ( 0.000 10.704 2.928) 11.097 8.076 ( 0.000 -0.756 6.974) 7.015 8.521 ( 0.000 14.951 0.554) 14.961 10.002 ( -0.000 -16.428 -39.108) 42.419 19.250 ( 0.000 0.675 0.208) 0.707 19.317 ( -0.000 3.849 -0.759) 3.924 39.021 ( 0.000 -1.975 1.886) 2.731 65.655 ( 0.000 -42.451 12.565) 44.271 ======================= Grid point 1140 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 21.901 27.962 10.287) 36.978 3.349 ( 8.185 46.137 18.023) 50.204 5.919 ( -1.557 -11.728 34.235) 36.222 6.836 ( -6.395 6.307 -6.292) 10.967 7.208 ( 8.072 7.649 2.939) 11.502 8.121 ( 2.611 -1.049 6.003) 6.630 8.623 ( -2.659 5.992 -3.342) 7.359 9.702 ( 1.007 -8.251 -35.120) 36.090 19.260 ( 0.230 0.892 0.193) 0.941 19.368 ( 1.758 3.830 -0.995) 4.330 39.014 ( -0.242 -0.846 3.199) 3.318 65.150 ( -14.134 -43.968 13.427) 48.096 ======================= Grid point 1141 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 25.382 28.839 6.870) 39.027 4.011 ( 12.987 31.838 22.370) 41.021 5.866 ( -1.545 -13.355 14.119) 19.496 6.798 ( -4.249 8.707 -3.909) 10.447 7.413 ( 7.186 4.516 3.123) 9.044 8.161 ( 0.149 -3.583 3.169) 4.786 8.465 ( -8.548 -5.204 -12.667) 16.143 9.667 ( 8.725 6.371 -20.217) 22.922 19.278 ( 0.513 1.251 0.207) 1.368 19.438 ( 2.692 3.290 -1.253) 4.432 39.026 ( 0.147 0.262 4.226) 4.237 64.462 ( -22.057 -41.645 11.987) 48.627 ======================= Grid point 1142 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 18.065 32.846 2.529) 37.572 4.555 ( 11.437 9.862 27.866) 31.696 5.762 ( 3.892 -11.175 -6.737) 13.617 6.808 ( -3.929 9.401 -5.581) 11.617 7.567 ( 5.924 1.966 2.004) 6.556 7.984 ( -8.079 -7.575 -8.485) 13.952 8.351 ( -0.175 2.469 -3.564) 4.339 9.858 ( 10.224 7.710 -8.822) 15.550 19.302 ( 0.523 1.675 0.187) 1.765 19.511 ( 3.091 2.391 -1.410) 4.154 39.056 ( 0.418 0.651 4.471) 4.538 63.708 ( -24.906 -36.785 8.074) 45.151 ======================= Grid point 1143 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( 6.677 34.623 -3.165) 35.403 4.721 ( -2.452 -13.465 19.562) 23.875 5.826 ( 16.884 -0.421 -15.118) 22.667 6.762 ( -6.710 4.916 -5.391) 9.913 7.687 ( 5.951 0.771 0.403) 6.014 7.867 ( 2.333 3.081 -5.263) 6.529 8.369 ( -1.134 4.008 -2.219) 4.720 10.045 ( 7.324 2.910 -1.542) 8.031 19.328 ( 0.234 2.069 0.135) 2.086 19.576 ( 3.055 1.312 -1.490) 3.643 39.084 ( 0.144 0.240 3.858) 3.868 62.979 ( -23.752 -30.108 3.201) 38.482 ======================= Grid point 1144 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( -9.397 -7.878 -11.299) 16.675 4.632 ( -4.926 22.378 0.578) 22.921 6.099 ( 15.179 4.138 -10.583) 18.962 6.717 ( -0.335 3.947 5.588) 6.850 7.755 ( 3.698 -1.311 -4.170) 5.726 8.068 ( 13.725 7.595 -2.649) 15.909 8.360 ( -3.595 4.772 -3.409) 6.879 10.138 ( 2.849 -3.174 4.505) 6.203 19.351 ( -0.274 2.326 0.081) 2.343 19.627 ( 2.672 0.271 -1.528) 3.090 39.093 ( -0.577 -0.573 2.643) 2.766 62.351 ( -19.442 -22.269 -0.868) 29.574 ======================= Grid point 1145 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( -12.964 -14.939 -18.978) 27.412 4.769 ( -12.705 31.959 -6.754) 35.048 6.286 ( 9.076 1.126 -4.975) 10.412 6.914 ( 8.562 10.689 11.992) 18.204 7.772 ( 2.481 -1.855 -4.607) 5.552 8.286 ( -2.491 3.843 -6.788) 8.188 8.386 ( 11.699 3.635 -5.389) 13.384 10.128 ( -0.413 -8.165 9.979) 12.900 19.364 ( -0.866 2.367 0.062) 2.521 19.659 ( 2.047 -0.528 -1.549) 2.621 39.075 ( -1.337 -1.243 1.277) 2.228 61.885 ( -12.762 -14.051 -2.733) 19.177 ======================= Grid point 1156 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 28.665 10.679) 30.589 3.827 ( 0.000 44.550 19.605) 48.673 5.927 ( 0.000 -13.961 21.142) 25.336 6.882 ( -0.000 3.381 -13.558) 13.973 7.272 ( 0.000 9.024 13.324) 16.092 8.114 ( 0.000 -1.111 6.435) 6.531 8.636 ( -0.000 -5.615 -11.654) 12.937 9.519 ( -0.000 3.947 -25.790) 26.090 19.265 ( 0.000 0.767 0.051) 0.768 19.392 ( 0.000 4.268 -0.629) 4.315 39.025 ( 0.000 -0.073 3.834) 3.835 64.865 ( 0.000 -47.638 12.263) 49.191 ======================= Grid point 1157 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 20.030 26.693 9.051) 34.578 4.334 ( 1.752 34.065 24.154) 41.796 5.815 ( -2.935 -14.804 5.741) 16.147 6.861 ( 0.062 4.712 -12.166) 13.046 7.424 ( 1.966 6.087 11.488) 13.149 8.139 ( 0.579 -2.471 4.668) 5.313 8.416 ( -3.606 -12.915 -18.850) 23.133 9.587 ( 4.342 15.285 -12.303) 20.096 19.279 ( 0.610 0.933 0.042) 1.115 19.440 ( 0.959 4.025 -0.553) 4.175 39.047 ( 0.102 0.712 4.232) 4.292 64.348 ( -10.512 -46.803 10.631) 49.133 ======================= Grid point 1158 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 27.711 26.281 6.488) 38.739 4.715 ( -0.279 13.134 32.008) 34.599 5.613 ( -2.797 -9.225 -13.249) 16.385 6.873 ( 0.523 5.525 -11.369) 12.651 7.547 ( 2.149 3.530 7.855) 8.876 7.997 ( -6.828 -7.797 -10.285) 14.601 8.313 ( 4.007 -0.945 -2.783) 4.969 9.794 ( 5.725 14.204 -5.278) 16.199 19.305 ( 1.054 1.342 0.074) 1.708 19.494 ( 1.442 3.209 -0.600) 3.569 39.076 ( 0.221 0.900 4.023) 4.129 63.705 ( -16.693 -42.439 7.693) 46.248 ======================= Grid point 1159 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.242 ( 20.750 24.151 2.341) 31.926 4.781 ( -5.900 -11.111 26.678) 29.495 5.550 ( 7.263 7.120 -18.991) 21.543 6.853 ( -3.025 2.707 -9.533) 10.362 7.636 ( 2.245 1.370 3.817) 4.635 7.853 ( -0.422 2.360 -6.825) 7.234 8.381 ( 2.984 1.941 -0.463) 3.590 9.984 ( 4.585 8.037 -1.183) 9.328 19.340 ( 1.028 1.947 0.112) 2.204 19.545 ( 1.693 1.962 -0.709) 2.687 39.101 ( 0.022 0.353 3.191) 3.210 63.035 ( -18.764 -35.471 3.941) 40.322 ======================= Grid point 1160 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.304 ( -9.023 -20.393 -1.275) 22.337 4.985 ( 3.406 35.049 3.882) 35.428 5.797 ( 18.310 6.181 -8.629) 21.164 6.777 ( -2.790 0.830 -1.729) 3.386 7.674 ( 2.034 -1.404 -1.148) 2.725 7.963 ( 7.113 8.313 -2.102) 11.142 8.431 ( -0.203 3.675 -1.492) 3.971 10.085 ( 2.176 0.104 2.074) 3.008 19.377 ( 0.465 2.622 0.168) 2.668 19.584 ( 1.850 0.529 -0.868) 2.110 39.107 ( -0.518 -0.588 2.017) 2.164 62.423 ( -17.253 -26.862 0.488) 31.929 ======================= Grid point 1161 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -11.255 -16.106 -10.646) 22.348 5.304 ( -9.654 38.571 -1.850) 39.804 6.111 ( 12.549 4.356 -7.633) 15.321 6.862 ( 10.712 4.012 8.929) 14.511 7.680 ( 2.308 -2.728 -3.428) 4.952 8.171 ( 8.792 5.045 -2.229) 10.379 8.430 ( -3.482 4.899 -3.239) 6.827 10.080 ( -0.034 -7.498 5.342) 9.206 19.406 ( -0.504 3.110 0.258) 3.162 19.611 ( 1.948 -0.707 -1.062) 2.329 39.089 ( -1.138 -1.375 0.913) 2.004 61.939 ( -12.825 -17.689 -1.576) 21.906 ======================= Grid point 1173 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 0.000 24.578 9.037) 26.187 4.739 ( 0.000 22.615 32.537) 39.624 5.704 ( -0.000 -11.573 -8.284) 14.233 6.836 ( -0.000 3.811 -13.853) 14.367 7.519 ( 0.000 5.453 10.583) 11.905 8.141 ( 0.000 -1.532 6.264) 6.449 8.209 ( -0.000 -14.181 -20.699) 25.091 9.698 ( -0.000 19.854 -5.415) 20.579 19.281 ( 0.000 0.785 -0.025) 0.786 19.473 ( 0.000 4.216 -0.098) 4.217 39.072 ( 0.000 1.077 3.881) 4.028 64.008 ( 0.000 -47.575 9.258) 48.467 ======================= Grid point 1174 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 19.769 21.901 8.036) 30.579 4.963 ( -3.569 -9.282 43.154) 44.285 5.568 ( -2.798 8.911 -24.814) 26.514 6.837 ( 2.001 4.103 -13.387) 14.143 7.606 ( 0.016 4.176 7.458) 8.547 7.975 ( -4.212 -5.878 -12.961) 14.842 8.206 ( 5.242 -1.937 2.987) 6.336 9.887 ( 1.140 17.845 -2.106) 18.005 19.297 ( 0.957 0.895 -0.023) 1.310 19.516 ( 0.242 3.793 0.134) 3.803 39.098 ( 0.062 0.956 3.080) 3.226 63.515 ( -7.827 -44.310 7.263) 45.579 ======================= Grid point 1175 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.023 ( 27.960 17.508 7.121) 33.749 4.798 ( -5.250 -27.423 24.056) 36.854 5.616 ( -2.956 22.483 -12.504) 25.896 6.849 ( 0.807 2.816 -11.582) 11.947 7.660 ( -0.605 1.889 4.317) 4.751 7.872 ( -1.250 4.784 -6.723) 8.346 8.306 ( 6.231 -0.761 2.604) 6.796 10.043 ( 0.099 11.837 -0.925) 11.874 19.331 ( 1.729 1.225 -0.029) 2.120 19.553 ( 0.130 2.878 0.226) 2.889 39.116 ( -0.078 0.257 1.958) 1.976 62.955 ( -12.298 -37.826 4.658) 40.047 ======================= Grid point 1176 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.243 ( -6.777 -21.982 7.966) 24.344 4.987 ( 29.971 17.715 4.505) 35.105 5.746 ( -2.165 18.043 -1.972) 18.279 6.815 ( -2.304 2.128 -7.497) 8.127 7.659 ( -1.151 -0.229 1.278) 1.735 7.959 ( 3.183 10.106 -1.507) 10.702 8.412 ( 4.806 0.601 1.503) 5.071 10.103 ( -1.735 3.587 -0.621) 4.033 19.378 ( 2.000 1.787 -0.046) 2.682 19.577 ( -0.060 1.584 0.194) 1.596 39.115 ( -0.445 -0.729 0.821) 1.184 62.413 ( -13.384 -29.227 1.998) 32.208 ======================= Grid point 1177 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.895 ( -9.782 -16.943 -0.000) 19.564 5.724 ( 19.135 33.142 -0.000) 38.269 5.883 ( 4.787 8.291 -0.000) 9.574 6.785 ( 0.606 1.049 -0.000) 1.212 7.639 ( -0.621 -1.075 -0.000) 1.241 8.118 ( 4.471 7.744 -0.000) 8.942 8.482 ( 1.239 2.147 0.000) 2.479 10.051 ( -3.026 -5.241 -0.000) 6.052 19.431 ( 1.509 2.614 -0.000) 3.018 19.584 ( 0.006 0.010 -0.000) 0.011 39.094 ( -0.874 -1.515 -0.000) 1.749 61.958 ( -11.432 -19.802 -0.000) 22.865 ======================= Grid point 1191 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 0.000 18.931 8.187) 20.625 4.935 ( 0.000 -33.783 34.284) 48.132 5.691 ( -0.000 24.631 -15.009) 28.844 6.802 ( -0.000 4.653 -13.983) 14.737 7.673 ( 0.000 3.602 5.193) 6.320 7.929 ( -0.000 1.321 -10.646) 10.727 8.160 ( 0.000 -2.005 6.338) 6.648 10.049 ( 0.000 16.443 -1.019) 16.474 19.296 ( 0.000 0.729 -0.003) 0.729 19.554 ( 0.000 3.728 0.605) 3.776 39.116 ( 0.000 0.607 1.816) 1.915 63.178 ( -0.000 -42.238 6.427) 42.724 ======================= Grid point 1192 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 19.039 15.213 8.102) 25.681 4.666 ( -3.990 -33.618 21.530) 40.121 5.862 ( -2.423 20.612 -2.339) 20.885 6.807 ( 1.654 4.672 -13.217) 14.115 7.712 ( -1.002 1.982 3.629) 4.254 7.943 ( -1.170 10.537 -4.334) 11.453 8.208 ( 4.693 -2.033 5.327) 7.385 10.173 ( -1.532 11.351 -1.791) 11.593 19.313 ( 1.212 0.761 0.004) 1.431 19.589 ( -0.323 3.163 0.885) 3.300 39.123 ( -0.096 -0.147 0.532) 0.560 62.758 ( -5.662 -36.749 5.035) 37.522 ======================= Grid point 1193 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( -0.420 -16.922 14.367) 22.202 4.592 ( 25.866 2.653 6.928) 26.909 5.997 ( -3.473 16.544 3.891) 17.347 6.830 ( 0.868 5.996 -11.503) 13.001 7.710 ( -2.611 1.245 3.188) 4.305 8.047 ( -0.411 13.483 0.288) 13.492 8.312 ( 6.771 -1.483 4.067) 8.036 10.191 ( -4.201 4.118 -3.607) 6.901 19.352 ( 2.264 0.912 -0.076) 2.442 19.610 ( -0.915 2.297 1.026) 2.677 39.114 ( -0.343 -1.039 -0.448) 1.183 62.324 ( -8.643 -28.876 3.282) 30.320 ======================= Grid point 1209 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( 0.000 12.578 8.453) 15.155 4.463 ( 0.000 -32.289 21.848) 38.986 6.062 ( 0.000 15.482 3.217) 15.812 6.785 ( -0.000 5.632 -13.939) 15.034 7.756 ( 0.000 1.862 3.313) 3.800 8.081 ( 0.000 16.551 -0.270) 16.553 8.167 ( 0.000 -2.699 6.237) 6.796 10.272 ( -0.000 7.300 -3.946) 8.298 19.309 ( 0.000 0.578 0.091) 0.585 19.628 ( 0.000 2.843 1.279) 3.117 39.119 ( -0.000 -0.790 -0.649) 1.022 62.481 ( -0.000 -32.484 4.819) 32.839 ======================= Grid point 1211 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.052 ( 7.325 -2.761 13.300) 15.433 4.288 ( 8.488 -14.928 16.422) 23.761 6.203 ( -1.875 12.798 5.339) 13.993 6.808 ( 2.573 7.039 -13.428) 15.378 7.776 ( -1.295 1.539 3.644) 4.162 8.196 ( 2.686 -0.227 6.140) 6.705 8.256 ( -0.548 15.390 3.581) 15.811 10.267 ( -3.293 1.441 -6.948) 7.823 19.326 ( 1.342 0.510 0.086) 1.438 19.653 ( -0.684 2.200 1.486) 2.742 39.102 ( -0.195 -1.434 -1.271) 1.926 62.174 ( -3.929 -25.859 3.986) 26.458 ======================= Grid point 1228 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( 0.000 5.204 9.193) 10.563 4.103 ( 0.000 -24.445 25.224) 35.125 6.369 ( 0.000 13.115 4.027) 13.719 6.788 ( -0.000 6.581 -13.728) 15.225 7.812 ( 0.000 0.612 3.369) 3.424 8.158 ( 0.000 -3.420 5.884) 6.806 8.485 ( 0.000 18.653 9.009) 20.715 10.255 ( -0.000 -2.548 -10.614) 10.916 19.319 ( 0.000 0.310 0.201) 0.369 19.685 ( 0.000 1.687 1.719) 2.408 39.083 ( -0.000 -1.727 -1.377) 2.208 61.992 ( 0.000 -20.758 3.943) 21.129 ======================= Grid point 1383 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 -0.000 13.893) 13.893 0.921 ( 0.000 -0.000 13.893) 13.893 5.778 ( 0.000 -0.000 82.480) 82.480 6.820 ( -0.000 0.000 -9.974) 9.974 6.820 ( -0.000 0.000 -9.974) 9.974 8.077 ( 0.000 -0.000 5.647) 5.647 8.077 ( 0.000 -0.000 5.647) 5.647 10.577 ( -0.000 0.000 -40.828) 40.828 19.231 ( 0.000 -0.000 0.408) 0.408 19.231 ( 0.000 -0.000 0.408) 0.408 39.085 ( -0.000 0.000 -1.196) 1.196 66.604 ( 0.000 -0.000 0.246) 0.246 ======================= Grid point 1384 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 22.897 13.220 8.725) 27.842 1.481 ( 40.012 23.101 14.650) 48.469 6.052 ( -5.134 -2.964 72.674) 72.916 6.693 ( -3.940 -2.275 -7.203) 8.519 6.950 ( 10.274 5.932 -7.539) 14.056 8.126 ( 1.515 0.875 4.028) 4.391 8.196 ( 8.268 4.774 5.455) 10.996 10.297 ( -8.257 -4.767 -42.718) 43.769 19.233 ( 0.185 0.107 0.413) 0.465 19.261 ( 2.318 1.338 -0.139) 2.680 39.061 ( -1.480 -0.855 -0.266) 1.730 66.347 ( -21.744 -12.554 4.368) 25.485 ======================= Grid point 1385 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 26.604 15.360 5.255) 31.166 2.555 ( 45.754 26.416 16.426) 55.327 6.169 ( -7.145 -4.125 51.796) 52.449 6.583 ( -3.483 -2.011 -4.099) 5.743 7.188 ( 11.267 6.505 -0.881) 13.039 8.180 ( 1.924 1.111 2.538) 3.373 8.419 ( 6.938 4.006 3.946) 8.931 9.902 ( -8.289 -4.786 -42.570) 43.633 19.243 ( 0.494 0.285 0.381) 0.686 19.329 ( 3.677 2.123 -0.936) 4.347 39.030 ( -1.221 -0.705 1.656) 2.175 65.723 ( -34.241 -19.769 9.721) 40.716 ======================= Grid point 1386 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 25.873 14.938 2.348) 29.968 3.634 ( 40.935 23.634 19.408) 51.097 6.185 ( -6.034 -3.484 28.476) 29.316 6.505 ( -2.359 -1.362 -0.574) 2.784 7.426 ( 9.075 5.239 1.330) 10.563 8.232 ( 1.830 1.056 1.043) 2.356 8.403 ( -9.594 -5.539 -5.591) 12.409 9.701 ( 6.242 3.604 -30.596) 31.434 19.258 ( 0.721 0.417 0.297) 0.884 19.415 ( 4.234 2.445 -1.468) 5.105 39.026 ( -0.094 -0.054 3.332) 3.334 64.919 ( -39.163 -22.611 10.661) 46.461 ======================= Grid point 1387 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 22.793 13.160 -0.956) 26.337 4.516 ( 26.364 15.221 23.847) 38.671 6.146 ( -2.208 -1.275 -1.234) 2.832 6.477 ( -0.545 -0.314 3.475) 3.531 7.606 ( 6.428 3.711 0.580) 7.445 8.051 ( -13.537 -7.815 -11.701) 19.526 8.267 ( 1.059 0.612 -0.598) 1.362 9.858 ( 12.917 7.457 -14.260) 20.635 19.277 ( 0.817 0.472 0.166) 0.958 19.505 ( 4.127 2.383 -1.710) 5.063 39.050 ( 0.653 0.377 4.095) 4.164 64.060 ( -38.847 -22.428 7.419) 45.466 ======================= Grid point 1388 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( 17.914 10.343 -4.621) 21.196 4.918 ( -1.212 -0.700 19.007) 19.058 6.106 ( 4.924 2.843 -25.691) 26.313 6.514 ( 1.745 1.008 7.799) 8.055 7.742 ( 5.712 3.298 -0.225) 6.599 7.850 ( 1.165 0.673 -5.358) 5.525 8.270 ( -0.252 -0.146 -2.397) 2.414 10.083 ( 9.308 5.374 -4.272) 11.566 19.296 ( 0.758 0.438 0.013) 0.876 19.585 ( 3.504 2.023 -1.778) 4.419 39.081 ( 0.463 0.267 3.815) 3.852 63.237 ( -34.622 -19.989 2.395) 40.050 ======================= Grid point 1389 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 11.621 6.709 -7.750) 15.496 4.663 ( -19.342 -11.167 -9.563) 24.296 6.179 ( 8.561 4.943 -13.977) 17.120 6.622 ( 4.035 2.329 11.550) 12.454 7.802 ( 1.833 1.058 -4.377) 4.862 8.096 ( 17.640 10.185 -2.047) 20.472 8.234 ( -1.734 -1.001 -4.217) 4.668 10.223 ( 2.914 1.683 3.556) 4.896 19.311 ( 0.559 0.323 -0.123) 0.658 19.647 ( 2.547 1.470 -1.761) 3.428 39.096 ( -0.457 -0.264 2.744) 2.794 62.526 ( -27.371 -15.803 -1.991) 31.668 ======================= Grid point 1400 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 0.000 19.298 13.595) 23.606 1.710 ( 0.000 50.587 9.304) 51.436 6.311 ( 0.000 -11.786 57.940) 59.127 6.810 ( -0.000 3.269 -10.617) 11.109 6.822 ( 0.000 8.611 10.157) 13.316 8.111 ( 0.000 -0.329 5.411) 5.421 8.249 ( 0.000 11.566 3.091) 11.972 10.103 ( -0.000 -10.497 -45.017) 46.225 19.240 ( 0.000 0.440 0.237) 0.500 19.255 ( 0.000 2.159 0.074) 2.160 39.060 ( -0.000 -1.396 -0.187) 1.409 66.361 ( -0.000 -24.100 3.501) 24.353 ======================= Grid point 1401 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 24.556 21.786 9.223) 34.099 2.429 ( 19.109 49.874 10.696) 54.470 6.343 ( -2.825 -13.715 34.238) 36.991 6.709 ( -7.380 4.705 -1.578) 8.894 7.101 ( 8.785 6.688 17.499) 20.691 8.155 ( 2.334 -0.292 4.101) 4.727 8.421 ( 3.544 11.802 2.175) 12.513 9.747 ( -4.514 -11.366 -45.363) 46.982 19.245 ( 0.046 0.668 0.261) 0.719 19.299 ( 2.105 2.735 -0.404) 3.475 39.043 ( -0.553 -0.988 1.188) 1.641 65.948 ( -17.342 -31.059 6.494) 36.160 ======================= Grid point 1402 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 23.003 25.348 4.025) 34.465 3.363 ( 30.794 38.200 14.281) 51.102 6.257 ( -3.913 -15.415 20.960) 26.311 6.642 ( -6.198 6.031 -0.191) 8.650 7.362 ( 6.988 3.997 15.924) 17.843 8.206 ( 2.015 -0.170 2.290) 3.055 8.486 ( -6.233 -0.497 -6.282) 8.864 9.483 ( 5.080 0.426 -34.485) 34.859 19.257 ( 0.350 0.875 0.260) 0.977 19.371 ( 3.229 2.904 -0.907) 4.437 39.040 ( -0.081 -0.077 2.716) 2.718 65.260 ( -28.013 -33.583 7.930) 44.446 ======================= Grid point 1403 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 17.466 27.795 -0.104) 32.827 4.286 ( 30.792 24.278 18.691) 43.439 6.081 ( -3.981 -17.717 4.960) 18.824 6.614 ( -5.063 8.044 -0.489) 9.517 7.551 ( 5.329 1.928 10.125) 11.603 8.124 ( -11.007 -10.060 -12.070) 19.185 8.286 ( -2.045 2.280 -3.620) 4.742 9.634 ( 14.540 9.442 -15.255) 23.093 19.275 ( 0.464 1.102 0.201) 1.213 19.454 ( 3.723 2.638 -1.233) 4.727 39.060 ( 0.541 0.563 3.502) 3.588 64.435 ( -32.684 -32.664 6.104) 46.610 ======================= Grid point 1404 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 11.276 27.565 -3.884) 30.035 4.934 ( 11.526 3.820 24.881) 27.686 5.860 ( 3.874 -11.221 -22.137) 25.119 6.618 ( -3.771 7.475 1.863) 8.577 7.679 ( 4.801 0.974 4.872) 6.909 7.842 ( -4.287 -3.016 -8.520) 10.004 8.289 ( -1.161 2.786 -2.294) 3.791 9.925 ( 13.164 7.486 -5.569) 16.135 19.295 ( 0.380 1.296 0.100) 1.354 19.536 ( 3.639 2.050 -1.403) 4.406 39.091 ( 0.563 0.519 3.306) 3.394 63.583 ( -32.384 -29.053 2.196) 43.561 ======================= Grid point 1405 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.893 ( 4.602 24.646 -7.223) 26.092 4.808 ( -17.217 -17.721 -1.279) 24.741 5.959 ( 15.788 4.826 -15.845) 22.883 6.664 ( 0.341 4.498 8.906) 9.983 7.753 ( 2.591 -0.040 -2.931) 3.913 7.916 ( 11.857 6.461 -0.044) 13.503 8.268 ( -3.010 2.715 -3.955) 5.664 10.153 ( 8.228 2.749 1.089) 8.744 19.313 ( 0.128 1.409 -0.009) 1.415 19.604 ( 3.092 1.288 -1.472) 3.659 39.111 ( -0.134 -0.106 2.389) 2.395 62.802 ( -27.997 -23.372 -1.758) 36.513 ======================= Grid point 1417 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 28.279 11.284) 30.447 2.856 ( 0.000 55.864 7.514) 56.367 6.343 ( 0.000 -14.477 22.014) 26.347 6.773 ( -0.000 2.409 -11.038) 11.298 7.216 ( 0.000 5.353 35.220) 35.625 8.150 ( 0.000 -0.205 4.689) 4.693 8.525 ( 0.000 12.068 -0.251) 12.071 9.468 ( -0.000 -11.593 -44.425) 45.913 19.252 ( 0.000 0.629 0.056) 0.632 19.311 ( 0.000 3.527 -0.164) 3.531 39.044 ( 0.000 -0.567 1.663) 1.758 65.772 ( 0.000 -38.674 6.419) 39.203 ======================= Grid point 1418 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 19.713 28.042 8.381) 35.287 3.514 ( 10.056 50.491 8.069) 52.111 6.240 ( -3.508 -17.444 16.838) 24.497 6.736 ( -1.621 3.259 -8.948) 9.660 7.414 ( 2.111 2.096 28.348) 28.503 8.183 ( 1.667 -0.378 3.728) 4.101 8.535 ( -4.972 -3.699 -12.481) 13.934 9.278 ( 4.612 5.420 -28.813) 29.679 19.261 ( 0.322 0.834 0.062) 0.896 19.360 ( 1.461 3.704 -0.325) 3.995 39.051 ( 0.050 0.272 2.443) 2.459 65.275 ( -13.800 -41.872 6.686) 44.591 ======================= Grid point 1419 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 22.189 29.977 3.922) 37.501 4.224 ( 16.689 37.054 11.104) 42.129 6.008 ( -7.049 -22.543 8.409) 25.072 6.722 ( -1.085 5.391 -6.832) 8.770 7.559 ( 2.095 0.137 18.018) 18.140 8.135 ( -7.569 -9.518 -11.199) 16.532 8.307 ( -1.233 -1.041 -7.622) 7.791 9.466 ( 11.212 15.014 -10.803) 21.630 19.280 ( 0.578 1.201 0.104) 1.337 19.427 ( 2.333 3.321 -0.562) 4.097 39.072 ( 0.409 0.871 2.759) 2.922 64.569 ( -22.620 -41.064 5.289) 47.180 ======================= Grid point 1420 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.625 ( 14.520 33.962 -1.065) 36.951 4.865 ( 16.358 17.131 19.956) 30.972 5.639 ( -6.596 -22.647 -12.313) 26.608 6.737 ( -1.681 5.927 -3.466) 7.068 7.649 ( 2.274 -0.577 9.057) 9.355 7.849 ( -5.740 -5.084 -10.880) 13.310 8.324 ( 0.348 3.140 -1.293) 3.413 9.775 ( 11.747 11.748 -4.064) 17.103 19.304 ( 0.534 1.658 0.113) 1.746 19.497 ( 2.754 2.495 -0.757) 3.793 39.101 ( 0.505 0.794 2.331) 2.514 63.772 ( -26.374 -36.922 2.285) 45.431 ======================= Grid point 1421 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 3.490 33.460 -5.978) 34.168 4.912 ( -16.194 -20.269 7.029) 26.879 5.621 ( 21.681 7.036 -13.250) 26.366 6.747 ( -1.587 3.184 3.712) 5.142 7.696 ( 1.994 -1.187 -0.641) 2.408 7.823 ( 5.629 4.433 -0.105) 7.166 8.340 ( -2.174 4.341 -2.496) 5.459 10.036 ( 9.325 5.354 0.012) 10.753 19.330 ( 0.195 2.101 0.095) 2.113 19.561 ( 2.769 1.425 -0.907) 3.244 39.119 ( 0.065 0.091 1.396) 1.400 62.992 ( -25.491 -30.222 -1.048) 39.551 ======================= Grid point 1435 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 28.099 9.124) 29.543 3.983 ( 0.000 51.696 5.284) 51.965 6.153 ( 0.000 -21.275 15.076) 26.075 6.723 ( -0.000 2.221 -11.312) 11.528 7.529 ( 0.000 -0.143 25.716) 25.717 8.182 ( 0.000 -0.355 4.206) 4.221 8.411 ( -0.000 -14.224 -24.270) 28.131 9.268 ( -0.000 18.750 -12.112) 22.322 19.265 ( 0.000 0.753 -0.065) 0.756 19.388 ( 0.000 4.225 0.026) 4.225 39.066 ( 0.000 0.832 2.302) 2.448 64.979 ( -0.000 -46.132 6.077) 46.530 ======================= Grid point 1436 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 18.723 26.724 7.240) 33.424 4.517 ( 3.096 44.754 4.558) 45.092 5.923 ( -5.945 -27.037 11.254) 29.882 6.715 ( 1.697 3.075 -10.083) 10.677 7.615 ( 0.140 -1.072 17.304) 17.338 8.093 ( -5.874 -11.338 -18.068) 22.125 8.242 ( 3.487 -1.451 -1.284) 3.989 9.485 ( 4.272 21.095 -3.494) 21.805 19.279 ( 0.663 0.918 -0.059) 1.134 19.437 ( 0.743 4.111 0.125) 4.179 39.087 ( 0.223 1.171 1.884) 2.230 64.445 ( -10.946 -46.096 4.834) 47.624 ======================= Grid point 1437 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 25.134 27.413 4.290) 37.438 4.987 ( 4.521 32.370 5.853) 33.204 5.514 ( -11.282 -30.346 1.867) 32.429 6.753 ( 2.461 3.415 -6.177) 7.475 7.663 ( 0.082 -0.711 9.013) 9.041 7.841 ( -4.560 -4.801 -11.505) 13.274 8.310 ( 3.657 1.082 0.995) 3.942 9.755 ( 5.627 16.628 -0.800) 17.572 19.305 ( 1.121 1.312 -0.028) 1.726 19.491 ( 1.097 3.399 0.105) 3.573 39.109 ( 0.336 0.950 1.042) 1.449 63.770 ( -17.821 -42.157 2.601) 45.843 ======================= Grid point 1438 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( 15.630 27.071 -0.000) 31.259 5.003 ( -13.362 -23.144 -0.000) 26.724 5.379 ( 10.626 18.405 0.000) 21.253 6.787 ( 0.427 0.740 -0.000) 0.854 7.670 ( -0.393 -0.680 -0.000) 0.786 7.798 ( 2.557 4.428 -0.000) 5.114 8.379 ( 1.633 2.828 0.000) 3.265 9.977 ( 5.219 9.040 -0.000) 10.438 19.341 ( 1.105 1.913 -0.000) 2.209 19.540 ( 1.270 2.199 -0.000) 2.540 39.122 ( 0.109 0.190 -0.000) 0.219 63.060 ( -20.289 -35.141 -0.000) 40.577 ======================= Grid point 1453 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 0.000 24.426 7.533) 25.561 4.947 ( 0.000 42.754 -1.594) 42.784 5.746 ( 0.000 -31.964 16.435) 35.942 6.674 ( -0.000 2.686 -11.500) 11.809 7.667 ( 0.000 -0.887 11.868) 11.901 7.954 ( -0.000 -8.656 -18.152) 20.111 8.208 ( 0.000 -0.594 4.216) 4.258 9.667 ( 0.000 21.805 0.716) 21.817 19.280 ( 0.000 0.814 -0.086) 0.818 19.476 ( 0.000 4.344 0.564) 4.380 39.103 ( 0.000 1.225 0.827) 1.478 64.092 ( -0.000 -47.000 4.113) 47.179 ======================= Grid point 1454 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 19.060 22.279 6.646) 30.063 5.248 ( -1.850 15.562 -24.396) 28.996 5.480 ( -7.709 -14.321 36.061) 39.559 6.690 ( 3.709 2.637 -9.145) 10.215 7.698 ( -0.485 0.298 6.127) 6.154 7.821 ( -2.031 -1.092 -9.061) 9.350 8.252 ( 3.605 -0.480 3.497) 5.045 9.882 ( 0.819 17.823 1.408) 17.897 19.296 ( 0.955 0.923 -0.070) 1.330 19.522 ( 0.088 3.977 0.808) 4.059 39.116 ( 0.134 0.853 -0.346) 0.931 63.578 ( -8.457 -43.798 2.773) 44.693 ======================= Grid point 1472 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.000 19.381 7.084) 20.635 5.115 ( -0.000 -21.913 -7.919) 23.300 5.748 ( 0.000 16.521 25.011) 29.975 6.638 ( -0.000 3.596 -11.567) 12.114 7.732 ( 0.000 1.458 3.511) 3.802 7.830 ( -0.000 6.076 -4.134) 7.349 8.228 ( 0.000 -1.125 4.344) 4.488 10.049 ( 0.000 14.619 1.192) 14.668 19.296 ( 0.000 0.790 -0.009) 0.791 19.566 ( 0.000 3.898 1.242) 4.092 39.118 ( -0.000 0.451 -1.573) 1.637 63.235 ( -0.000 -41.569 2.487) 41.643 ======================= Grid point 1663 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 -0.000 10.616) 10.616 1.079 ( 0.000 -0.000 10.616) 10.616 6.708 ( -0.000 0.000 -7.546) 7.546 6.708 ( -0.000 0.000 -7.546) 7.546 6.789 ( 0.000 -0.000 76.754) 76.754 8.139 ( 0.000 -0.000 3.997) 3.997 8.139 ( 0.000 -0.000 3.997) 3.997 10.010 ( -0.000 0.000 -48.401) 48.401 19.235 ( 0.000 -0.000 0.274) 0.274 19.235 ( 0.000 -0.000 0.274) 0.274 39.071 ( -0.000 0.000 -1.005) 1.005 66.607 ( 0.000 -0.000 0.206) 0.206 ======================= Grid point 1664 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 21.026 12.139 4.946) 24.778 1.648 ( 40.864 23.593 11.428) 48.550 6.620 ( -2.682 -1.549 -4.085) 5.126 6.658 ( -4.295 -2.480 7.438) 8.940 7.153 ( 4.048 2.337 54.815) 55.014 8.169 ( 0.973 0.562 2.695) 2.920 8.253 ( 8.160 4.711 3.579) 10.079 9.708 ( -7.471 -4.313 -49.991) 50.730 19.238 ( 0.206 0.119 0.298) 0.381 19.260 ( 1.957 1.130 -0.060) 2.260 39.059 ( -0.622 -0.359 -0.143) 0.733 66.387 ( -18.864 -10.891 2.069) 21.881 ======================= Grid point 1665 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 25.644 14.806 1.050) 29.630 2.738 ( 47.536 27.445 12.164) 56.221 6.555 ( -2.157 -1.245 -0.302) 2.509 6.567 ( -7.237 -4.178 9.234) 12.454 7.423 ( 2.214 1.278 39.439) 39.522 8.205 ( 1.329 0.768 1.314) 2.021 8.444 ( 3.864 2.231 -0.711) 4.518 9.338 ( -3.126 -1.805 -44.990) 45.135 19.247 ( 0.485 0.280 0.286) 0.629 19.320 ( 3.286 1.897 -0.537) 3.832 39.050 ( -0.194 -0.112 1.363) 1.381 65.809 ( -31.980 -18.464 4.287) 37.175 ======================= Grid point 1666 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 24.999 14.433 -1.907) 28.929 3.846 ( 43.721 25.242 13.777) 52.331 6.378 ( -12.286 -7.093 2.515) 14.408 6.525 ( -0.922 -0.532 3.772) 3.919 7.594 ( 1.227 0.708 23.938) 23.980 8.236 ( 1.147 0.662 -0.336) 1.366 8.255 ( -14.018 -8.093 -17.811) 24.067 9.371 ( 15.945 9.206 -19.736) 26.991 19.261 ( 0.680 0.393 0.227) 0.818 19.400 ( 3.939 2.274 -0.911) 4.639 39.063 ( 0.613 0.354 2.338) 2.443 65.009 ( -38.806 -22.405 3.880) 44.977 ======================= Grid point 1667 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 21.707 12.533 -4.677) 25.498 4.792 ( 31.232 18.032 18.874) 40.704 6.005 ( -16.790 -9.693 -19.072) 27.195 6.550 ( 0.975 0.563 7.920) 8.000 7.694 ( 1.365 0.788 10.530) 10.648 7.889 ( -9.303 -5.371 -11.367) 15.639 8.249 ( 0.313 0.181 -2.281) 2.310 9.719 ( 17.375 10.031 -7.531) 21.430 19.279 ( 0.751 0.434 0.127) 0.877 19.487 ( 3.930 2.269 -1.134) 4.678 39.093 ( 0.922 0.532 2.330) 2.562 64.112 ( -39.887 -23.029 1.032) 46.069 ======================= Grid point 1681 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 19.464 10.278) 22.011 1.797 ( 0.000 50.403 4.291) 50.586 6.583 ( 0.000 -5.235 1.376) 5.413 6.692 ( -0.000 1.836 -7.766) 7.980 7.401 ( 0.000 -1.560 64.549) 64.568 8.166 ( 0.000 0.096 3.229) 3.230 8.282 ( 0.000 10.621 2.022) 10.812 9.486 ( -0.000 -9.053 -51.951) 52.734 19.242 ( 0.000 0.382 0.088) 0.392 19.256 ( 0.000 1.960 0.139) 1.965 39.058 ( -0.000 -0.434 -0.099) 0.445 66.393 ( -0.000 -21.405 1.630) 21.467 ======================= Grid point 1682 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 20.018 23.386 5.229) 31.225 2.532 ( 22.958 49.364 5.372) 54.706 6.527 ( -1.496 -6.667 4.445) 8.151 6.659 ( -2.012 1.294 -5.807) 6.280 7.613 ( -1.406 -4.203 52.744) 52.930 8.194 ( 1.270 0.352 2.124) 2.500 8.435 ( 2.606 8.857 -0.695) 9.258 9.146 ( -1.984 -6.461 -47.942) 48.416 19.247 ( 0.158 0.586 0.132) 0.621 19.296 ( 1.781 2.609 -0.148) 3.162 39.056 ( -0.030 -0.014 0.761) 0.762 66.005 ( -16.356 -28.892 2.708) 33.311 ======================= Grid point 1683 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 19.667 27.076 -0.332) 33.467 3.504 ( 34.664 38.056 7.896) 52.079 6.403 ( -5.653 -13.142 4.434) 14.977 6.616 ( -2.720 3.173 -2.482) 4.861 7.716 ( -2.506 -4.920 34.312) 34.754 8.220 ( -0.196 -0.923 -0.891) 1.298 8.318 ( -9.924 -6.354 -20.025) 23.235 9.133 ( 13.606 12.057 -17.917) 25.524 19.260 ( 0.396 0.816 0.162) 0.922 19.363 ( 2.893 2.845 -0.462) 4.084 39.067 ( 0.458 0.573 1.372) 1.556 65.324 ( -27.779 -32.607 2.482) 42.908 ======================= Grid point 1684 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 15.324 28.598 -4.063) 32.698 4.473 ( 35.631 26.214 10.115) 45.377 6.060 ( -14.786 -20.442 -7.876) 26.430 6.624 ( -1.298 4.723 3.634) 6.099 7.734 ( -1.745 -3.260 11.293) 11.883 7.939 ( -9.179 -8.073 -9.360) 15.397 8.259 ( -0.512 2.508 -1.768) 3.111 9.500 ( 17.157 13.514 -5.857) 22.612 19.277 ( 0.450 1.069 0.136) 1.168 19.442 ( 3.433 2.630 -0.678) 4.377 39.091 ( 0.854 0.836 1.176) 1.676 64.474 ( -33.522 -32.577 0.275) 46.745 ======================= Grid point 1699 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 28.146 8.128) 29.296 2.903 ( 0.000 56.939 -0.061) 56.939 6.495 ( 0.000 -8.251 6.624) 10.581 6.652 ( -0.000 0.921 -7.856) 7.910 7.780 ( 0.000 -8.892 47.260) 48.089 8.194 ( 0.000 0.344 2.393) 2.418 8.481 ( -0.000 1.769 -11.392) 11.529 8.930 ( -0.000 3.312 -33.962) 34.123 19.251 ( 0.000 0.592 -0.074) 0.597 19.311 ( 0.000 3.443 0.130) 3.445 39.060 ( 0.000 0.377 0.749) 0.838 65.827 ( -0.000 -36.684 2.508) 36.769 ======================= Grid point 1700 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 16.865 28.943 4.818) 33.843 3.560 ( 12.744 51.023 -0.650) 52.594 6.384 ( -4.828 -14.206 6.821) 16.481 6.635 ( 0.666 1.559 -5.813) 6.055 7.828 ( -2.357 -10.132 30.087) 31.835 8.209 ( -1.388 -3.167 -3.161) 4.685 8.274 ( -3.171 -7.794 -21.762) 23.332 9.053 ( 6.982 19.786 -5.334) 21.649 19.261 ( 0.420 0.784 -0.056) 0.891 19.359 ( 1.208 3.743 0.100) 3.935 39.071 ( 0.274 0.859 0.644) 1.108 65.328 ( -13.902 -40.668 1.897) 43.021 ======================= Grid point 1701 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 18.416 31.897 -0.000) 36.832 4.294 ( 21.410 37.083 -0.000) 42.820 6.067 ( -13.107 -22.702 -0.000) 26.214 6.669 ( 1.918 3.322 0.000) 3.836 7.762 ( -3.265 -5.655 -0.000) 6.530 7.959 ( -6.022 -10.431 0.000) 12.045 8.277 ( 1.245 2.157 0.000) 2.490 9.398 ( 10.788 18.686 0.000) 21.576 19.280 ( 0.663 1.148 -0.000) 1.326 19.423 ( 1.993 3.452 -0.000) 3.985 39.091 ( 0.614 1.063 -0.000) 1.228 64.602 ( -23.385 -40.504 -0.000) 46.770 ======================= Grid point 1717 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 28.193 6.004) 28.825 3.974 ( 0.000 52.718 -5.988) 53.057 6.315 ( 0.000 -18.296 10.069) 20.884 6.600 ( -0.000 0.676 -7.925) 7.954 7.833 ( 0.000 -10.147 9.665) 14.013 8.090 ( -0.000 -12.256 -13.700) 18.382 8.221 ( 0.000 0.480 2.109) 2.163 9.220 ( 0.000 23.498 4.130) 23.858 19.264 ( -0.000 0.759 -0.154) 0.774 19.391 ( 0.000 4.321 0.483) 4.348 39.080 ( 0.000 1.118 -0.134) 1.126 65.025 ( -0.000 -45.145 1.206) 45.162 ======================= Grid point 1947 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 -0.000 5.777) 5.777 1.184 ( 0.000 -0.000 5.777) 5.777 6.633 ( -0.000 0.000 -4.094) 4.094 6.633 ( -0.000 0.000 -4.094) 4.094 7.721 ( 0.000 -0.000 69.775) 69.775 8.178 ( 0.000 -0.000 2.077) 2.077 8.178 ( 0.000 -0.000 2.077) 2.077 9.351 ( -0.000 0.000 -55.405) 55.405 19.238 ( 0.000 -0.000 0.135) 0.135 19.238 ( 0.000 -0.000 0.135) 0.135 39.060 ( -0.000 0.000 -0.576) 0.576 66.609 ( 0.000 -0.000 0.118) 0.118 ======================= Grid point 1948 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 19.247 11.113 -0.049) 22.225 1.765 ( 41.800 24.133 6.785) 48.741 6.593 ( -1.265 -0.731 -0.186) 1.473 6.630 ( -0.231 -0.133 -4.281) 4.289 7.948 ( -5.078 -2.932 61.999) 62.276 8.193 ( 0.609 0.352 0.996) 1.219 8.285 ( 7.849 4.532 1.486) 9.184 9.037 ( -5.673 -3.275 -54.588) 54.979 19.241 ( 0.239 0.138 0.174) 0.327 19.259 ( 1.763 1.018 -0.079) 2.037 39.057 ( -0.037 -0.022 -0.046) 0.063 66.404 ( -17.675 -10.205 0.680) 20.421 ======================= Grid point 1949 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 24.821 14.330 -3.712) 28.900 2.859 ( 48.806 28.178 6.684) 56.751 6.565 ( -4.751 -2.743 -4.569) 7.139 6.577 ( -0.669 -0.386 3.883) 3.959 8.000 ( -9.719 -5.611 40.713) 42.231 8.211 ( 0.792 0.457 -0.339) 0.975 8.343 ( -6.418 -3.705 -17.327) 18.845 8.857 ( 11.791 6.808 -22.582) 26.369 19.250 ( 0.492 0.284 0.185) 0.597 19.314 ( 3.063 1.768 -0.320) 3.551 39.062 ( 0.424 0.245 0.431) 0.653 65.839 ( -31.265 -18.051 0.653) 36.108 ======================= Grid point 1965 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 0.000 20.531 5.459) 21.244 1.816 ( 0.000 49.441 -1.305) 49.458 6.592 ( 0.000 -1.522 1.498) 2.136 6.617 ( -0.000 0.227 -3.985) 3.992 8.186 ( 0.000 -7.800 49.408) 50.020 8.193 ( 0.000 0.402 1.026) 1.102 8.306 ( 0.000 9.091 5.059) 10.404 8.808 ( -0.000 -5.465 -50.097) 50.395 19.242 ( 0.000 0.326 -0.048) 0.329 19.258 ( 0.000 1.937 0.119) 1.941 39.057 ( -0.000 0.071 -0.028) 0.076 66.405 ( -0.000 -20.318 0.409) 20.322 ======================= Grid point 1966 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 14.978 25.942 -0.000) 29.955 2.566 ( 27.330 47.337 -0.000) 54.660 6.564 ( -2.273 -3.937 -0.000) 4.545 6.604 ( 0.161 0.279 0.000) 0.322 8.160 ( -5.714 -9.896 -0.000) 11.427 8.225 ( -0.805 -1.395 -0.000) 1.611 8.334 ( -1.732 -3.001 0.000) 3.465 8.719 ( 5.690 9.855 0.000) 11.380 19.248 ( 0.291 0.504 -0.000) 0.581 19.295 ( 1.534 2.657 -0.000) 3.068 39.061 ( 0.199 0.345 -0.000) 0.399 66.021 ( -16.245 -28.138 -0.000) 32.491 ======================= Grid point 2237 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 1.84e-05 1.84e-05 2.98e-04 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 -0.000 0.000) 0.000 1.221 ( 0.000 -0.000 0.000) 0.000 6.607 ( 0.000 -0.000 0.000) 0.000 6.607 ( 0.000 -0.000 0.000) 0.000 8.191 ( 0.000 -0.000 0.000) 0.000 8.191 ( 0.000 -0.000 0.000) 0.000 8.457 ( 0.000 -0.000 0.000) 0.000 8.706 ( -0.000 0.000 -0.000) 0.000 19.239 ( 0.000 -0.000 0.000) 0.000 19.239 ( 0.000 -0.000 0.000) 0.000 39.057 ( 0.000 -0.000 0.000) 0.000 66.610 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 82.522 82.522 55.719 0.000 -0.000 0.000 3/49152 20.0 108.828 108.828 63.759 0.000 -0.000 0.000 3/49152 30.0 127.841 127.841 77.951 0.000 -0.000 0.000 3/49152 40.0 129.101 129.101 83.359 0.000 -0.000 0.000 3/49152 50.0 117.612 117.612 80.024 0.000 -0.000 0.000 3/49152 60.0 102.355 102.355 72.683 0.000 -0.000 0.000 3/49152 70.0 88.283 88.283 64.831 0.000 -0.000 0.000 3/49152 80.0 76.709 76.709 57.845 0.000 -0.000 0.000 3/49152 90.0 67.492 67.492 51.994 0.000 -0.000 0.000 3/49152 100.0 60.154 60.154 47.164 0.000 -0.000 0.000 3/49152 110.0 54.243 54.243 43.158 0.000 -0.000 0.000 3/49152 120.0 49.405 49.405 39.801 0.000 -0.000 0.000 3/49152 130.0 45.381 45.381 36.949 0.000 -0.000 0.000 3/49152 140.0 41.985 41.985 34.495 0.000 -0.000 0.000 3/49152 150.0 39.079 39.079 32.360 0.000 -0.000 0.000 3/49152 160.0 36.563 36.563 30.483 0.000 -0.000 0.000 3/49152 170.0 34.362 34.362 28.818 0.000 -0.000 0.000 3/49152 180.0 32.420 32.420 27.329 0.000 -0.000 0.000 3/49152 190.0 30.691 30.691 25.990 0.000 -0.000 0.000 3/49152 200.0 29.143 29.143 24.777 0.000 -0.000 0.000 3/49152 210.0 27.748 27.748 23.674 0.000 -0.000 0.000 3/49152 220.0 26.483 26.483 22.665 0.000 -0.000 0.000 3/49152 230.0 25.330 25.330 21.740 0.000 -0.000 0.000 3/49152 240.0 24.276 24.276 20.888 0.000 -0.000 0.000 3/49152 250.0 23.309 23.309 20.100 0.000 -0.000 0.000 3/49152 260.0 22.416 22.416 19.371 0.000 -0.000 0.000 3/49152 270.0 21.592 21.592 18.693 0.000 -0.000 0.000 3/49152 280.0 20.827 20.827 18.062 0.000 -0.000 0.000 3/49152 290.0 20.116 20.116 17.473 0.000 -0.000 0.000 3/49152 300.0 19.453 19.453 16.922 0.000 -0.000 0.000 3/49152 310.0 18.834 18.834 16.407 0.000 -0.000 0.000 3/49152 320.0 18.255 18.255 15.923 0.000 -0.000 0.000 3/49152 330.0 17.712 17.712 15.469 0.000 -0.000 0.000 3/49152 340.0 17.201 17.201 15.042 0.000 -0.000 0.000 3/49152 350.0 16.722 16.722 14.640 0.000 -0.000 0.000 3/49152 360.0 16.269 16.269 14.262 0.000 -0.000 0.000 3/49152 370.0 15.843 15.843 13.904 0.000 -0.000 0.000 3/49152 380.0 15.440 15.440 13.567 0.000 -0.000 0.000 3/49152 390.0 15.059 15.059 13.248 0.000 -0.000 0.000 3/49152 400.0 14.698 14.698 12.947 0.000 -0.000 0.000 3/49152 410.0 14.357 14.357 12.661 0.000 -0.000 0.000 3/49152 420.0 14.032 14.032 12.391 0.000 -0.000 0.000 3/49152 430.0 13.724 13.724 12.135 0.000 -0.000 0.000 3/49152 440.0 13.431 13.431 11.892 0.000 -0.000 0.000 3/49152 450.0 13.153 13.153 11.662 0.000 -0.000 0.000 3/49152 460.0 12.887 12.887 11.443 0.000 -0.000 0.000 3/49152 470.0 12.635 12.635 11.235 0.000 -0.000 0.000 3/49152 480.0 12.393 12.393 11.038 0.000 -0.000 0.000 3/49152 490.0 12.163 12.163 10.850 0.000 -0.000 0.000 3/49152 500.0 11.943 11.943 10.671 0.000 -0.000 0.000 3/49152 510.0 11.733 11.733 10.501 0.000 -0.000 0.000 3/49152 520.0 11.531 11.531 10.338 0.000 -0.000 0.000 3/49152 530.0 11.338 11.338 10.183 0.000 -0.000 0.000 3/49152 540.0 11.154 11.154 10.036 0.000 -0.000 0.000 3/49152 550.0 10.976 10.976 9.894 0.000 -0.000 0.000 3/49152 560.0 10.806 10.806 9.760 0.000 -0.000 0.000 3/49152 570.0 10.643 10.643 9.631 0.000 -0.000 0.000 3/49152 580.0 10.486 10.486 9.507 0.000 -0.000 0.000 3/49152 590.0 10.334 10.334 9.389 0.000 -0.000 0.000 3/49152 600.0 10.189 10.189 9.276 0.000 -0.000 0.000 3/49152 610.0 10.049 10.049 9.167 0.000 -0.000 0.000 3/49152 620.0 9.914 9.914 9.063 0.000 -0.000 0.000 3/49152 630.0 9.783 9.783 8.963 0.000 -0.000 0.000 3/49152 640.0 9.658 9.658 8.867 0.000 -0.000 0.000 3/49152 650.0 9.536 9.536 8.774 0.000 -0.000 0.000 3/49152 660.0 9.418 9.418 8.685 0.000 -0.000 0.000 3/49152 670.0 9.305 9.305 8.599 0.000 -0.000 0.000 3/49152 680.0 9.195 9.195 8.516 0.000 -0.000 0.000 3/49152 690.0 9.088 9.088 8.437 0.000 -0.000 0.000 3/49152 700.0 8.985 8.985 8.360 0.000 -0.000 0.000 3/49152 710.0 8.885 8.885 8.285 0.000 -0.000 0.000 3/49152 720.0 8.788 8.788 8.213 0.000 -0.000 0.000 3/49152 730.0 8.694 8.694 8.144 0.000 -0.000 0.000 3/49152 740.0 8.602 8.602 8.076 0.000 -0.000 0.000 3/49152 750.0 8.513 8.513 8.011 0.000 -0.000 0.000 3/49152 760.0 8.427 8.427 7.947 0.000 -0.000 0.000 3/49152 770.0 8.343 8.343 7.886 0.000 -0.000 0.000 3/49152 780.0 8.261 8.261 7.826 0.000 -0.000 0.000 3/49152 790.0 8.181 8.181 7.768 0.000 -0.000 0.000 3/49152 800.0 8.103 8.103 7.712 0.000 -0.000 0.000 3/49152 810.0 8.028 8.028 7.657 0.000 -0.000 0.000 3/49152 820.0 7.954 7.954 7.603 0.000 -0.000 0.000 3/49152 830.0 7.882 7.882 7.551 0.000 -0.000 0.000 3/49152 840.0 7.811 7.811 7.500 0.000 -0.000 0.000 3/49152 850.0 7.742 7.742 7.451 0.000 -0.000 0.000 3/49152 860.0 7.675 7.675 7.402 0.000 -0.000 0.000 3/49152 870.0 7.610 7.610 7.355 0.000 -0.000 0.000 3/49152 880.0 7.545 7.545 7.309 0.000 -0.000 0.000 3/49152 890.0 7.483 7.483 7.264 0.000 -0.000 0.000 3/49152 900.0 7.421 7.421 7.220 0.000 -0.000 0.000 3/49152 910.0 7.361 7.361 7.176 0.000 -0.000 0.000 3/49152 920.0 7.302 7.302 7.134 0.000 -0.000 0.000 3/49152 930.0 7.244 7.244 7.092 0.000 -0.000 0.000 3/49152 940.0 7.188 7.188 7.052 0.000 -0.000 0.000 3/49152 950.0 7.132 7.132 7.012 0.000 -0.000 0.000 3/49152 960.0 7.078 7.078 6.973 0.000 -0.000 0.000 3/49152 970.0 7.024 7.024 6.934 0.000 -0.000 0.000 3/49152 980.0 6.972 6.972 6.896 0.000 -0.000 0.000 3/49152 990.0 6.921 6.921 6.859 0.000 -0.000 0.000 3/49152 1000.0 6.870 6.870 6.823 0.000 -0.000 0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:03:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|