----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:50:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.746002749316928 1.008055157323953 5.537886353333326 b -1.746002749316925 1.008055157323953 5.537886353333326 c 0.000000000000002 -2.016110314647909 5.537886353333326 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 *2 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 *3 O 0.76152949238444 0.76152949238444 0.76152949238445 15.999 4 O 0.23847050761556 0.23847050761556 0.23847050761555 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.492005498633853 0.000000000000000 0.000000000000000 b -1.746002749316927 3.024165471971862 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613659059999996 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.66666666666667 0.33333333333333 0.33333333333333 22.990 > 1 3 Na 0.33333333333333 0.66666666666667 0.66666666666667 22.990 > 1 *4 Sm 0.33333333333333 0.66666666666667 0.16666666666667 150.360 > 2 5 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 2 6 Sm 0.66666666666667 0.33333333333333 0.83333333333333 150.360 > 2 *7 O 0.66666666666667 0.33333333333333 0.09486282571778 15.999 > 3 8 O 0.00000000000000 0.00000000000000 0.23847050761555 15.999 > 4 9 O 0.33333333333333 0.66666666666667 0.42819615905111 15.999 > 3 10 O 0.66666666666667 0.33333333333333 0.57180384094889 15.999 > 4 11 O 0.00000000000000 0.00000000000000 0.76152949238445 15.999 > 3 12 O 0.33333333333333 0.66666666666667 0.90513717428222 15.999 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.476016495901559 0.000000000000000 0.000000000000000 b -5.238008247950781 9.072496415915586 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613659059999996 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 *28 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 2 29 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 2 30 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 2 31 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 2 32 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 2 33 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 2 34 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 2 35 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 2 36 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 2 37 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 2 38 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 2 39 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 2 40 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 2 41 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 2 42 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 2 43 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 2 44 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 2 45 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 2 46 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 2 47 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 2 48 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 2 49 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 2 50 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 2 51 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 2 52 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 2 53 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 2 54 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 2 *55 O 0.22222222222222 0.11111111111111 0.09486282571778 15.999 > 3 56 O 0.55555555555556 0.11111111111111 0.09486282571778 15.999 > 3 57 O 0.88888888888889 0.11111111111111 0.09486282571778 15.999 > 3 58 O 0.22222222222222 0.44444444444444 0.09486282571778 15.999 > 3 59 O 0.55555555555556 0.44444444444444 0.09486282571778 15.999 > 3 60 O 0.88888888888889 0.44444444444444 0.09486282571778 15.999 > 3 61 O 0.22222222222222 0.77777777777778 0.09486282571778 15.999 > 3 62 O 0.55555555555556 0.77777777777778 0.09486282571778 15.999 > 3 63 O 0.88888888888889 0.77777777777778 0.09486282571778 15.999 > 3 64 O 0.00000000000000 0.00000000000000 0.23847050761555 15.999 > 4 65 O 0.33333333333333 0.00000000000000 0.23847050761555 15.999 > 4 66 O 0.66666666666667 0.00000000000000 0.23847050761555 15.999 > 4 67 O 0.00000000000000 0.33333333333333 0.23847050761555 15.999 > 4 68 O 0.33333333333333 0.33333333333333 0.23847050761555 15.999 > 4 69 O 0.66666666666667 0.33333333333333 0.23847050761555 15.999 > 4 70 O 0.00000000000000 0.66666666666667 0.23847050761555 15.999 > 4 71 O 0.33333333333333 0.66666666666667 0.23847050761555 15.999 > 4 72 O 0.66666666666667 0.66666666666667 0.23847050761555 15.999 > 4 73 O 0.11111111111111 0.22222222222222 0.42819615905111 15.999 > 3 74 O 0.44444444444444 0.22222222222222 0.42819615905111 15.999 > 3 75 O 0.77777777777778 0.22222222222222 0.42819615905111 15.999 > 3 76 O 0.11111111111111 0.55555555555556 0.42819615905111 15.999 > 3 77 O 0.44444444444444 0.55555555555556 0.42819615905111 15.999 > 3 78 O 0.77777777777778 0.55555555555556 0.42819615905111 15.999 > 3 79 O 0.11111111111111 0.88888888888889 0.42819615905111 15.999 > 3 80 O 0.44444444444444 0.88888888888889 0.42819615905111 15.999 > 3 81 O 0.77777777777778 0.88888888888889 0.42819615905111 15.999 > 3 82 O 0.22222222222222 0.11111111111111 0.57180384094889 15.999 > 4 83 O 0.55555555555556 0.11111111111111 0.57180384094889 15.999 > 4 84 O 0.88888888888889 0.11111111111111 0.57180384094889 15.999 > 4 85 O 0.22222222222222 0.44444444444444 0.57180384094889 15.999 > 4 86 O 0.55555555555556 0.44444444444444 0.57180384094889 15.999 > 4 87 O 0.88888888888889 0.44444444444444 0.57180384094889 15.999 > 4 88 O 0.22222222222222 0.77777777777778 0.57180384094889 15.999 > 4 89 O 0.55555555555556 0.77777777777778 0.57180384094889 15.999 > 4 90 O 0.88888888888889 0.77777777777778 0.57180384094889 15.999 > 4 91 O 0.00000000000000 0.00000000000000 0.76152949238445 15.999 > 3 92 O 0.33333333333333 0.00000000000000 0.76152949238445 15.999 > 3 93 O 0.66666666666667 0.00000000000000 0.76152949238445 15.999 > 3 94 O 0.00000000000000 0.33333333333333 0.76152949238445 15.999 > 3 95 O 0.33333333333333 0.33333333333333 0.76152949238445 15.999 > 3 96 O 0.66666666666667 0.33333333333333 0.76152949238445 15.999 > 3 97 O 0.00000000000000 0.66666666666667 0.76152949238445 15.999 > 3 98 O 0.33333333333333 0.66666666666667 0.76152949238445 15.999 > 3 99 O 0.66666666666667 0.66666666666667 0.76152949238445 15.999 > 3 100 O 0.11111111111111 0.22222222222222 0.90513717428222 15.999 > 4 101 O 0.44444444444444 0.22222222222222 0.90513717428222 15.999 > 4 102 O 0.77777777777778 0.22222222222222 0.90513717428222 15.999 > 4 103 O 0.11111111111111 0.55555555555556 0.90513717428222 15.999 > 4 104 O 0.44444444444444 0.55555555555556 0.90513717428222 15.999 > 4 105 O 0.77777777777778 0.55555555555556 0.90513717428222 15.999 > 4 106 O 0.11111111111111 0.88888888888889 0.90513717428222 15.999 > 4 107 O 0.44444444444444 0.88888888888889 0.90513717428222 15.999 > 4 108 O 0.77777777777778 0.88888888888889 0.90513717428222 15.999 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1325714 0.0000000 0.0000000 -0.0000000 4.1325714 0.0000000 0.0000000 0.0000000 3.1626297 -------------------------- Born effective charges -------------------------- 1 Na 0.9996780 -0.0000000 0.0000000 0.0000000 0.9996780 0.0000000 0.0000000 0.0000000 1.3754196 2 Sm 4.3630465 -0.0000000 0.0000000 0.0000000 4.3630465 0.0000000 0.0000000 0.0000000 2.3122762 3 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 4 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.120 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.127 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:50:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:07]------------------------- 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 1.746002749316928 1.008055157323953 5.537886353333326 b -1.746002749316925 1.008055157323953 5.537886353333326 c 0.000000000000002 -2.016110314647909 5.537886353333326 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 3 O 0.76152949238444 0.76152949238444 0.76152949238445 15.999 4 O 0.23847050761556 0.23847050761556 0.23847050761555 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.476016495901559 0.000000000000000 0.000000000000000 b -5.238008247950781 9.072496415915586 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613659059999996 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 28 29 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 28 30 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 28 31 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 28 32 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 28 33 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 28 34 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 28 35 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 28 36 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 28 37 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 28 38 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 28 39 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 28 40 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 28 41 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 28 42 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 28 43 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 28 44 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 28 45 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 28 46 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 28 47 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 28 48 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 28 49 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 28 50 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 28 51 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 28 52 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 28 53 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 28 54 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 28 55 O 0.22222222222222 0.11111111111111 0.09486282571778 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.09486282571778 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.09486282571778 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.09486282571778 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.09486282571778 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.09486282571778 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.09486282571778 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.09486282571778 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.09486282571778 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.23847050761555 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.23847050761555 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.23847050761555 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.23847050761555 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.23847050761555 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.23847050761555 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.23847050761555 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.23847050761555 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.23847050761555 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.42819615905111 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.42819615905111 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.42819615905111 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.42819615905111 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.42819615905111 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.42819615905111 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.42819615905111 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.42819615905111 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.42819615905111 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.57180384094889 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.57180384094889 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.57180384094889 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.57180384094889 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.57180384094889 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.57180384094889 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.57180384094889 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.57180384094889 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.57180384094889 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.76152949238445 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.76152949238445 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.76152949238445 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.76152949238445 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.76152949238445 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.76152949238445 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.76152949238445 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.76152949238445 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.76152949238445 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.90513717428222 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.90513717428222 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.90513717428222 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.90513717428222 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.90513717428222 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.90513717428222 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.90513717428222 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.90513717428222 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.90513717428222 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1325714 0.0000000 0.0000000 -0.0000000 4.1325714 0.0000000 0.0000000 0.0000000 3.1626297 -------------------------- Born effective charges -------------------------- 1 Na 0.9996780 -0.0000000 0.0000000 0.0000000 0.9996780 0.0000000 0.0000000 0.0000000 1.3754196 2 Sm 4.3630465 -0.0000000 0.0000000 0.0000000 4.3630465 0.0000000 0.0000000 0.0000000 2.3122762 3 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 4 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 ---------------------------------------------------------------------------- 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[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:50:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:12]------------------------- 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 1.746002749316928 1.008055157323953 5.537886353333326 b -1.746002749316925 1.008055157323953 5.537886353333326 c 0.000000000000002 -2.016110314647909 5.537886353333326 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 2 Sm 0.50000000000000 0.50000000000000 0.50000000000000 150.360 3 O 0.76152949238444 0.76152949238444 0.76152949238445 15.999 4 O 0.23847050761556 0.23847050761556 0.23847050761555 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.476016495901559 0.000000000000000 0.000000000000000 b -5.238008247950781 9.072496415915586 0.000000000000000 c 0.000000000000000 0.000000000000000 16.613659059999996 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 1 2 Na 0.33333333333333 0.00000000000000 0.00000000000000 22.990 > 1 3 Na 0.66666666666667 0.00000000000000 0.00000000000000 22.990 > 1 4 Na 0.00000000000000 0.33333333333333 0.00000000000000 22.990 > 1 5 Na 0.33333333333333 0.33333333333333 0.00000000000000 22.990 > 1 6 Na 0.66666666666667 0.33333333333333 0.00000000000000 22.990 > 1 7 Na 0.00000000000000 0.66666666666667 0.00000000000000 22.990 > 1 8 Na 0.33333333333333 0.66666666666667 0.00000000000000 22.990 > 1 9 Na 0.66666666666667 0.66666666666667 0.00000000000000 22.990 > 1 10 Na 0.22222222222222 0.11111111111111 0.33333333333333 22.990 > 1 11 Na 0.55555555555556 0.11111111111111 0.33333333333333 22.990 > 1 12 Na 0.88888888888889 0.11111111111111 0.33333333333333 22.990 > 1 13 Na 0.22222222222222 0.44444444444444 0.33333333333333 22.990 > 1 14 Na 0.55555555555556 0.44444444444444 0.33333333333333 22.990 > 1 15 Na 0.88888888888889 0.44444444444444 0.33333333333333 22.990 > 1 16 Na 0.22222222222222 0.77777777777778 0.33333333333333 22.990 > 1 17 Na 0.55555555555556 0.77777777777778 0.33333333333333 22.990 > 1 18 Na 0.88888888888889 0.77777777777778 0.33333333333333 22.990 > 1 19 Na 0.11111111111111 0.22222222222222 0.66666666666667 22.990 > 1 20 Na 0.44444444444444 0.22222222222222 0.66666666666667 22.990 > 1 21 Na 0.77777777777778 0.22222222222222 0.66666666666667 22.990 > 1 22 Na 0.11111111111111 0.55555555555556 0.66666666666667 22.990 > 1 23 Na 0.44444444444444 0.55555555555556 0.66666666666667 22.990 > 1 24 Na 0.77777777777778 0.55555555555556 0.66666666666667 22.990 > 1 25 Na 0.11111111111111 0.88888888888889 0.66666666666667 22.990 > 1 26 Na 0.44444444444444 0.88888888888889 0.66666666666667 22.990 > 1 27 Na 0.77777777777778 0.88888888888889 0.66666666666667 22.990 > 1 28 Sm 0.11111111111111 0.22222222222222 0.16666666666667 150.360 > 28 29 Sm 0.44444444444444 0.22222222222222 0.16666666666667 150.360 > 28 30 Sm 0.77777777777778 0.22222222222222 0.16666666666667 150.360 > 28 31 Sm 0.11111111111111 0.55555555555556 0.16666666666667 150.360 > 28 32 Sm 0.44444444444444 0.55555555555556 0.16666666666667 150.360 > 28 33 Sm 0.77777777777778 0.55555555555556 0.16666666666667 150.360 > 28 34 Sm 0.11111111111111 0.88888888888889 0.16666666666667 150.360 > 28 35 Sm 0.44444444444444 0.88888888888889 0.16666666666667 150.360 > 28 36 Sm 0.77777777777778 0.88888888888889 0.16666666666667 150.360 > 28 37 Sm 0.00000000000000 0.00000000000000 0.50000000000000 150.360 > 28 38 Sm 0.33333333333333 0.00000000000000 0.50000000000000 150.360 > 28 39 Sm 0.66666666666667 0.00000000000000 0.50000000000000 150.360 > 28 40 Sm 0.00000000000000 0.33333333333333 0.50000000000000 150.360 > 28 41 Sm 0.33333333333333 0.33333333333333 0.50000000000000 150.360 > 28 42 Sm 0.66666666666667 0.33333333333333 0.50000000000000 150.360 > 28 43 Sm 0.00000000000000 0.66666666666667 0.50000000000000 150.360 > 28 44 Sm 0.33333333333333 0.66666666666667 0.50000000000000 150.360 > 28 45 Sm 0.66666666666667 0.66666666666667 0.50000000000000 150.360 > 28 46 Sm 0.22222222222222 0.11111111111111 0.83333333333333 150.360 > 28 47 Sm 0.55555555555556 0.11111111111111 0.83333333333333 150.360 > 28 48 Sm 0.88888888888889 0.11111111111111 0.83333333333333 150.360 > 28 49 Sm 0.22222222222222 0.44444444444444 0.83333333333333 150.360 > 28 50 Sm 0.55555555555556 0.44444444444444 0.83333333333333 150.360 > 28 51 Sm 0.88888888888889 0.44444444444444 0.83333333333333 150.360 > 28 52 Sm 0.22222222222222 0.77777777777778 0.83333333333333 150.360 > 28 53 Sm 0.55555555555556 0.77777777777778 0.83333333333333 150.360 > 28 54 Sm 0.88888888888889 0.77777777777778 0.83333333333333 150.360 > 28 55 O 0.22222222222222 0.11111111111111 0.09486282571778 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.09486282571778 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.09486282571778 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.09486282571778 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.09486282571778 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.09486282571778 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.09486282571778 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.09486282571778 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.09486282571778 15.999 > 55 64 O 0.00000000000000 0.00000000000000 0.23847050761555 15.999 > 64 65 O 0.33333333333333 0.00000000000000 0.23847050761555 15.999 > 64 66 O 0.66666666666667 0.00000000000000 0.23847050761555 15.999 > 64 67 O 0.00000000000000 0.33333333333333 0.23847050761555 15.999 > 64 68 O 0.33333333333333 0.33333333333333 0.23847050761555 15.999 > 64 69 O 0.66666666666667 0.33333333333333 0.23847050761555 15.999 > 64 70 O 0.00000000000000 0.66666666666667 0.23847050761555 15.999 > 64 71 O 0.33333333333333 0.66666666666667 0.23847050761555 15.999 > 64 72 O 0.66666666666667 0.66666666666667 0.23847050761555 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.42819615905111 15.999 > 55 74 O 0.44444444444444 0.22222222222222 0.42819615905111 15.999 > 55 75 O 0.77777777777778 0.22222222222222 0.42819615905111 15.999 > 55 76 O 0.11111111111111 0.55555555555556 0.42819615905111 15.999 > 55 77 O 0.44444444444444 0.55555555555556 0.42819615905111 15.999 > 55 78 O 0.77777777777778 0.55555555555556 0.42819615905111 15.999 > 55 79 O 0.11111111111111 0.88888888888889 0.42819615905111 15.999 > 55 80 O 0.44444444444444 0.88888888888889 0.42819615905111 15.999 > 55 81 O 0.77777777777778 0.88888888888889 0.42819615905111 15.999 > 55 82 O 0.22222222222222 0.11111111111111 0.57180384094889 15.999 > 64 83 O 0.55555555555556 0.11111111111111 0.57180384094889 15.999 > 64 84 O 0.88888888888889 0.11111111111111 0.57180384094889 15.999 > 64 85 O 0.22222222222222 0.44444444444444 0.57180384094889 15.999 > 64 86 O 0.55555555555556 0.44444444444444 0.57180384094889 15.999 > 64 87 O 0.88888888888889 0.44444444444444 0.57180384094889 15.999 > 64 88 O 0.22222222222222 0.77777777777778 0.57180384094889 15.999 > 64 89 O 0.55555555555556 0.77777777777778 0.57180384094889 15.999 > 64 90 O 0.88888888888889 0.77777777777778 0.57180384094889 15.999 > 64 91 O 0.00000000000000 0.00000000000000 0.76152949238445 15.999 > 55 92 O 0.33333333333333 0.00000000000000 0.76152949238445 15.999 > 55 93 O 0.66666666666667 0.00000000000000 0.76152949238445 15.999 > 55 94 O 0.00000000000000 0.33333333333333 0.76152949238445 15.999 > 55 95 O 0.33333333333333 0.33333333333333 0.76152949238445 15.999 > 55 96 O 0.66666666666667 0.33333333333333 0.76152949238445 15.999 > 55 97 O 0.00000000000000 0.66666666666667 0.76152949238445 15.999 > 55 98 O 0.33333333333333 0.66666666666667 0.76152949238445 15.999 > 55 99 O 0.66666666666667 0.66666666666667 0.76152949238445 15.999 > 55 100 O 0.11111111111111 0.22222222222222 0.90513717428222 15.999 > 64 101 O 0.44444444444444 0.22222222222222 0.90513717428222 15.999 > 64 102 O 0.77777777777778 0.22222222222222 0.90513717428222 15.999 > 64 103 O 0.11111111111111 0.55555555555556 0.90513717428222 15.999 > 64 104 O 0.44444444444444 0.55555555555556 0.90513717428222 15.999 > 64 105 O 0.77777777777778 0.55555555555556 0.90513717428222 15.999 > 64 106 O 0.11111111111111 0.88888888888889 0.90513717428222 15.999 > 64 107 O 0.44444444444444 0.88888888888889 0.90513717428222 15.999 > 64 108 O 0.77777777777778 0.88888888888889 0.90513717428222 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1325714 0.0000000 0.0000000 -0.0000000 4.1325714 0.0000000 0.0000000 0.0000000 3.1626297 -------------------------- Born effective charges -------------------------- 1 Na 0.9996780 -0.0000000 0.0000000 0.0000000 0.9996780 0.0000000 0.0000000 0.0000000 1.3754196 2 Sm 4.3630465 -0.0000000 0.0000000 0.0000000 4.3630465 0.0000000 0.0000000 0.0000000 2.3122762 3 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 4 O -2.6813622 0.0000000 0.0000000 0.0000000 -2.6813622 0.0000000 0.0000000 0.0000000 -1.8438479 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxz) -0.00000000 (xxz) -0.00000000 (xzx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] 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: 1.07, Number of G-points: 311, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 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 3.528 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 22.233 12.836 11.531) 28.143 0.647 ( 26.981 15.577 10.223) 32.789 1.132 ( 50.500 29.156 -2.705) 58.375 3.543 ( 1.540 0.889 -1.347) 2.231 3.657 ( 7.137 4.121 0.083) 8.241 6.467 ( 0.648 0.374 3.545) 3.623 7.299 ( 4.298 2.481 0.610) 5.000 9.731 ( -13.670 -7.893 -5.839) 16.830 10.771 ( -2.919 -1.685 -0.456) 3.401 10.934 ( 11.033 6.370 -11.718) 17.310 13.640 ( -7.178 -4.144 0.925) 8.340 15.686 ( 1.307 0.754 -19.327) 19.385 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 21.949 12.672 10.939) 27.604 1.279 ( 25.987 15.003 9.866) 31.587 2.240 ( 48.724 28.131 -2.619) 56.323 3.586 ( 2.890 1.669 -2.551) 4.200 3.884 ( 12.548 7.245 0.814) 14.512 6.500 ( 1.357 0.784 0.744) 1.735 7.444 ( 8.180 4.723 1.087) 9.508 9.366 ( -16.812 -9.706 1.808) 19.497 10.679 ( -4.788 -2.765 -0.832) 5.591 11.136 ( 9.909 5.721 -13.576) 17.755 13.420 ( -12.703 -7.334 3.447) 15.068 15.612 ( -3.593 -2.074 -9.999) 10.826 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 20.798 12.008 10.199) 26.092 1.877 ( 24.055 13.888 9.172) 29.251 3.284 ( 44.491 25.687 -2.908) 51.456 3.652 ( 3.808 2.198 -3.514) 5.628 4.212 ( 16.125 9.310 1.676) 18.695 6.521 ( 0.366 0.211 -1.705) 1.757 7.664 ( 10.773 6.220 1.349) 12.512 9.035 ( -12.704 -7.334 3.837) 15.162 10.565 ( -4.644 -2.681 -1.039) 5.462 11.252 ( 4.058 2.343 -13.426) 14.220 13.113 ( -16.021 -9.250 8.067) 20.182 15.450 ( -7.389 -4.266 -10.266) 13.348 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 18.242 10.532 9.299) 23.025 2.416 ( 21.028 12.141 8.081) 25.590 3.728 ( 4.092 2.363 -4.166) 6.299 4.166 ( 33.214 19.176 -4.257) 38.588 4.634 ( 21.843 12.611 3.254) 25.431 6.491 ( -2.244 -1.296 -4.107) 4.857 7.918 ( 10.911 6.300 1.401) 12.677 8.851 ( -4.594 -2.652 4.890) 7.215 10.482 ( -1.953 -1.128 -1.017) 2.474 11.196 ( -5.069 -2.927 -14.953) 16.057 12.772 ( -17.730 -10.237 13.930) 24.763 15.230 ( -7.857 -4.536 -12.276) 15.264 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 14.388 8.307 8.107) 18.486 2.871 ( 17.027 9.831 6.662) 20.759 3.802 ( 3.711 2.142 -4.425) 6.160 4.702 ( 17.628 10.178 -3.137) 20.596 5.227 ( 27.516 15.886 1.934) 31.831 6.391 ( -5.021 -2.899 -5.403) 7.925 8.143 ( 8.328 4.808 1.298) 9.703 8.872 ( 4.759 2.747 4.734) 7.253 10.484 ( 2.453 1.416 -0.796) 2.942 10.917 ( -14.223 -8.212 -17.089) 23.702 12.404 ( -20.371 -11.761 16.704) 28.851 15.051 ( -3.572 -2.063 -11.533) 12.248 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 9.953 5.746 6.477) 13.192 3.223 ( 12.421 7.171 5.099) 15.222 3.860 ( 2.817 1.627 -4.176) 5.293 5.016 ( 11.695 6.752 -1.615) 13.600 5.785 ( 20.944 12.092 0.218) 24.185 6.244 ( -5.943 -3.431 -5.235) 8.631 8.294 ( 4.722 2.726 1.079) 5.558 9.081 ( 11.967 6.909 3.345) 14.217 10.479 ( -18.250 -10.537 -16.581) 26.814 10.579 ( 5.809 3.354 -0.502) 6.727 11.963 ( -23.507 -13.572 13.761) 30.433 15.001 ( 1.818 1.049 -7.347) 7.641 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 5.673 3.275 4.277) 7.823 3.463 ( 7.570 4.370 3.426) 9.389 3.897 ( 1.660 0.958 -3.230) 3.756 5.224 ( 7.192 4.152 -0.858) 8.348 6.105 ( -4.841 -2.795 -0.306) 5.598 6.158 ( 12.536 7.238 -3.824) 14.972 8.371 ( 2.054 1.186 0.733) 2.482 9.398 ( 14.545 8.398 1.642) 16.875 10.038 ( -15.070 -8.701 -12.512) 21.433 10.714 ( 5.678 3.278 -0.254) 6.561 11.475 ( -22.323 -12.888 8.600) 27.173 15.053 ( 3.654 2.110 -3.149) 5.265 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 1.821 1.052 1.510) 2.589 3.586 ( 2.568 1.483 1.296) 3.236 3.913 ( 0.515 0.297 -1.300) 1.429 5.330 ( 2.443 1.410 -0.305) 2.837 6.024 ( -1.738 -1.004 -0.892) 2.197 6.337 ( 4.048 2.337 -0.673) 4.723 8.400 ( 0.545 0.314 0.262) 0.682 9.670 ( 5.777 3.335 0.774) 6.715 9.776 ( -3.221 -1.860 -5.306) 6.480 10.808 ( 2.300 1.328 -0.075) 2.657 11.093 ( -11.195 -6.463 3.169) 13.309 15.112 ( 1.697 0.980 -0.756) 2.100 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -0.000 22.765 13.214) 26.322 0.579 ( -0.000 30.247 -2.064) 30.317 1.205 ( -0.000 57.595 10.465) 58.538 3.552 ( -0.000 2.328 0.372) 2.358 3.644 ( -0.000 8.055 -2.247) 8.362 6.481 ( -0.000 -1.234 5.929) 6.056 7.297 ( -0.000 4.813 0.220) 4.818 9.659 ( 0.000 -10.180 -18.566) 21.173 10.773 ( 0.000 -3.231 -0.055) 3.231 10.937 ( 0.000 14.578 -10.335) 17.870 13.642 ( 0.000 -8.428 1.381) 8.541 15.577 ( 0.000 10.507 -35.467) 36.991 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 14.509 16.085 13.789) 25.679 1.142 ( 21.966 25.104 2.249) 33.433 1.992 ( 23.404 50.750 5.440) 56.151 3.582 ( 0.397 3.986 -1.087) 4.151 3.797 ( 7.449 10.315 -0.994) 12.762 6.496 ( 0.533 0.644 2.009) 2.176 7.400 ( 4.747 7.312 0.854) 8.759 9.437 ( -6.206 -16.651 -4.174) 18.254 10.692 ( -3.385 -4.664 -0.828) 5.822 11.067 ( 3.164 13.476 -14.172) 19.811 13.497 ( -6.080 -11.803 3.180) 13.652 15.571 ( 1.120 0.911 -18.115) 18.173 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 19.875 10.744 12.821) 25.977 1.754 ( 20.433 24.095 4.487) 31.909 2.934 ( 32.268 41.029 1.315) 52.214 3.639 ( 1.437 5.742 -2.277) 6.342 4.072 ( 12.457 11.348 0.165) 16.852 6.516 ( 0.238 0.771 -0.703) 1.070 7.597 ( 7.821 10.045 1.508) 12.820 9.142 ( -9.316 -13.489 1.298) 16.445 10.583 ( -3.101 -5.275 -1.303) 6.256 11.174 ( 2.985 7.020 -15.374) 17.163 13.248 ( -10.184 -13.889 7.004) 18.592 15.476 ( -4.557 -3.304 -12.679) 13.873 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 20.382 7.153 10.971) 24.227 2.320 ( 17.353 23.159 4.844) 29.341 3.694 ( 6.028 8.008 -5.477) 11.422 3.861 ( 26.788 30.208 1.258) 40.394 4.436 ( 17.255 12.457 1.377) 21.326 6.501 ( -1.644 -0.492 -3.145) 3.583 7.855 ( 8.693 12.207 1.939) 15.111 8.914 ( -5.751 -7.232 3.284) 9.806 10.490 ( -1.859 -3.490 -1.324) 4.170 11.166 ( -1.510 -1.130 -16.327) 16.436 12.950 ( -12.339 -14.979 12.494) 23.081 15.277 ( -8.206 -4.675 -12.947) 16.026 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 18.560 3.715 8.917) 20.923 2.814 ( 13.293 21.472 4.098) 25.584 3.792 ( 1.769 7.473 -4.484) 8.893 4.507 ( 18.741 17.011 -1.210) 25.339 4.949 ( 25.373 17.746 1.512) 31.000 6.423 ( -4.214 -2.369 -4.523) 6.620 8.120 ( 6.572 13.270 2.099) 14.956 8.850 ( 1.375 -0.525 3.682) 3.965 10.459 ( 1.055 -0.122 -1.003) 1.460 10.969 ( -9.141 -8.191 -18.213) 21.963 12.627 ( -14.803 -16.089 16.695) 27.508 15.057 ( -6.192 -3.802 -12.930) 14.832 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 15.311 0.438 6.511) 16.644 3.208 ( 8.530 18.926 2.833) 20.951 3.874 ( 0.448 8.397 -3.961) 9.295 4.880 ( 12.570 9.296 -0.199) 15.635 5.540 ( 23.144 15.335 -1.449) 27.801 6.292 ( -5.745 -3.400 -3.529) 7.551 8.333 ( 2.031 13.708 1.892) 13.986 8.970 ( 8.890 4.390 2.640) 10.261 10.495 ( -1.053 -2.675 -2.910) 4.091 10.618 ( -9.491 -5.683 -16.014) 19.464 12.234 ( -19.645 -17.339 15.488) 30.437 14.938 ( 0.543 -2.201 -9.462) 9.729 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 11.407 -2.399 3.570) 12.191 3.486 ( 3.660 15.635 1.453) 16.124 3.941 ( -1.245 9.179 -2.748) 9.662 5.133 ( 8.816 5.755 0.599) 10.545 5.969 ( 14.700 7.787 -9.309) 19.063 6.169 ( -3.871 -1.559 4.345) 6.025 8.467 ( -2.787 14.254 1.479) 14.599 9.232 ( 14.192 6.620 0.692) 15.675 10.129 ( -14.657 -12.626 -13.602) 23.648 10.677 ( 5.114 6.708 -1.645) 8.594 11.750 ( -22.608 -16.742 10.741) 30.113 14.952 ( 5.766 -2.151 -4.690) 7.738 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 7.440 -4.803 0.111) 8.857 3.647 ( -0.967 12.224 0.253) 12.265 3.989 ( -3.131 9.583 -0.959) 10.127 5.291 ( 4.577 2.807 1.007) 5.463 6.019 ( -0.518 -1.290 -8.785) 8.894 6.281 ( 6.241 3.279 5.688) 9.058 8.535 ( -6.350 15.041 1.056) 16.361 9.541 ( 14.124 5.256 -1.431) 15.138 9.785 ( -7.970 -8.548 -7.461) 13.865 10.812 ( 2.944 6.782 -0.791) 7.436 11.271 ( -18.732 -12.981 5.940) 23.552 15.022 ( 6.352 -3.827 -1.587) 7.584 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 3.694 -7.032 -3.426) 8.650 3.695 ( -5.699 9.626 -0.740) 11.211 4.013 ( -4.811 9.011 0.974) 10.261 5.346 ( -0.088 -0.211 1.146) 1.169 5.995 ( 1.533 0.316 -4.835) 5.082 6.364 ( 0.006 -1.233 4.681) 4.841 8.555 ( -8.884 14.898 0.557) 17.355 9.679 ( 4.308 -2.782 0.124) 5.129 9.713 ( 1.440 -1.661 -1.102) 2.459 10.888 ( -3.275 6.512 -0.655) 7.318 11.001 ( -0.019 -4.249 0.688) 4.305 15.060 ( 3.865 -5.940 0.006) 7.087 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 0.057 -9.310 -6.368) 11.279 3.636 ( -10.994 7.844 -1.818) 13.627 4.009 ( -5.984 7.474 2.690) 9.945 5.293 ( -4.699 -3.186 1.112) 5.785 6.043 ( 4.177 2.239 -4.647) 6.637 6.288 ( -7.463 -5.592 7.385) 11.895 8.530 ( -10.232 12.810 0.118) 16.396 9.542 ( -12.512 -8.237 -1.102) 15.020 9.870 ( 15.380 3.157 8.241) 17.732 10.816 ( -6.980 1.133 -0.092) 7.072 11.208 ( 18.067 8.270 -5.858) 20.715 15.040 ( 1.212 -6.869 1.732) 7.187 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -3.830 -11.591 -8.345) 14.788 3.462 ( -16.647 6.000 -3.080) 17.961 3.977 ( -6.770 5.606 3.857) 9.599 5.138 ( -9.001 -5.548 1.284) 10.651 5.987 ( -14.006 -6.694 -5.198) 16.371 6.201 ( 3.825 0.485 9.538) 10.288 8.458 ( -11.349 9.346 -0.213) 14.704 9.216 ( -14.072 -8.221 -2.175) 16.442 10.267 ( 20.239 5.553 11.929) 24.141 10.695 ( -7.519 0.449 1.702) 7.723 11.631 ( 23.516 9.827 -11.405) 27.922 15.004 ( 0.978 -5.203 4.827) 7.164 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -8.192 -13.517 -9.396) 18.387 3.170 ( -22.074 3.686 -4.323) 22.793 3.918 ( -7.271 3.799 4.288) 9.257 4.893 ( -13.510 -7.098 2.105) 15.405 5.538 ( -25.668 -11.979 -1.615) 28.372 6.342 ( 6.287 2.405 5.507) 8.697 8.319 ( -13.206 4.759 -0.597) 14.050 8.938 ( -9.416 -4.630 -3.499) 11.061 10.506 ( -1.059 -2.455 -0.061) 2.674 10.791 ( 14.822 7.473 15.362) 22.617 12.070 ( 23.342 7.790 -15.003) 28.820 15.034 ( 3.986 -1.012 8.470) 9.416 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -12.804 -14.518 -9.606) 21.610 2.764 ( -26.732 1.276 -5.242) 27.271 3.838 ( -7.330 2.199 4.065) 8.665 4.536 ( -23.120 -9.168 4.091) 25.205 4.923 ( -29.117 -12.755 -3.249) 31.954 6.470 ( 4.052 1.633 4.155) 6.029 8.104 ( -14.897 0.616 -0.890) 14.936 8.809 ( -0.935 -0.283 -4.045) 4.161 10.465 ( 0.126 -0.999 0.163) 1.020 11.137 ( 11.293 3.274 12.939) 17.483 12.464 ( 21.955 5.912 -13.460) 26.422 15.179 ( 7.700 2.885 9.723) 12.734 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -17.118 -13.904 -8.807) 23.747 2.266 ( -30.271 -0.559 -5.436) 30.760 3.746 ( -7.337 0.527 3.946) 8.347 3.867 ( -42.888 -12.829 2.713) 44.848 4.415 ( -18.705 -7.578 -2.474) 20.333 6.530 ( 0.555 0.372 2.186) 2.286 7.840 ( -14.939 -1.515 -0.885) 15.042 8.879 ( 9.038 2.875 -3.357) 10.061 10.500 ( 4.184 -0.086 0.570) 4.224 11.303 ( 2.200 -0.169 8.919) 9.188 12.840 ( 20.861 4.937 -7.839) 22.826 15.387 ( 8.610 3.663 7.529) 12.010 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -20.803 -10.458 -6.343) 24.132 1.707 ( -32.586 -1.253 -4.254) 32.887 2.938 ( -52.184 -10.458 2.089) 53.263 3.660 ( -5.428 0.318 1.694) 5.695 4.066 ( -15.813 -4.080 -0.945) 16.358 6.521 ( -1.689 -0.294 0.366) 1.753 7.586 ( -12.609 -1.541 -0.588) 12.717 9.125 ( 16.763 3.401 -1.829) 17.202 10.593 ( 6.204 -0.086 0.536) 6.228 11.289 ( -5.767 -0.838 5.804) 8.225 13.195 ( 18.342 3.125 -2.838) 18.822 15.567 ( 6.680 1.910 4.060) 8.047 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -23.535 -0.000 0.000) 23.535 1.130 ( -33.581 -0.000 0.000) 33.581 1.962 ( -56.626 -0.000 0.000) 56.626 3.588 ( -3.613 -0.000 0.000) 3.613 3.802 ( -12.476 -0.000 0.000) 12.476 6.485 ( -2.044 -0.000 0.000) 2.044 7.395 ( -8.681 -0.000 0.000) 8.681 9.460 ( 20.088 0.000 -0.000) 20.088 10.697 ( 5.746 0.000 -0.000) 5.746 11.147 ( -11.525 -0.000 0.000) 11.525 13.479 ( 13.705 0.000 -0.000) 13.705 15.674 ( 4.175 0.000 -0.000) 4.175 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.000 20.762 10.412) 23.227 1.143 ( -0.000 29.172 -2.092) 29.246 2.377 ( -0.000 55.472 9.107) 56.215 3.622 ( -0.000 4.332 0.677) 4.385 3.844 ( -0.000 13.957 -2.762) 14.227 6.507 ( -0.000 1.137 1.491) 1.875 7.439 ( -0.000 9.405 0.675) 9.430 9.284 ( 0.000 -18.120 -5.532) 18.946 10.685 ( 0.000 -5.421 -0.264) 5.427 11.132 ( 0.000 12.479 -13.390) 18.303 13.424 ( 0.000 -15.489 3.878) 15.967 15.509 ( 0.000 1.902 -17.593) 17.696 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 6.933 17.135 10.865) 21.441 1.638 ( 20.350 25.602 -1.574) 32.742 3.037 ( 11.934 50.738 6.164) 52.486 3.679 ( 0.992 6.420 0.174) 6.498 4.033 ( 6.252 14.668 -1.951) 16.063 6.524 ( -0.091 1.435 -0.052) 1.439 7.594 ( 5.571 11.736 1.354) 13.061 9.078 ( -2.000 -16.851 -2.245) 17.117 10.588 ( -3.915 -5.282 -1.038) 6.657 11.181 ( -0.496 7.689 -14.787) 16.674 13.239 ( -4.472 -17.854 6.522) 19.527 15.453 ( -1.461 -1.548 -13.546) 13.712 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.721 11.082 11.049) 20.812 2.234 ( 21.276 23.885 -0.852) 31.998 3.669 ( 7.886 21.161 -4.484) 23.024 3.877 ( 11.720 29.918 6.491) 32.781 4.315 ( 11.623 13.660 -0.974) 17.962 6.519 ( -1.562 0.481 -1.875) 2.488 7.852 ( 8.567 14.604 2.416) 17.103 8.898 ( -1.960 -11.172 0.177) 11.344 10.477 ( -2.430 -4.326 -2.073) 5.377 11.142 ( -2.883 0.587 -15.937) 16.206 12.988 ( -7.224 -19.172 10.850) 23.184 15.315 ( -6.285 -3.898 -12.333) 14.381 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 15.606 5.848 9.394) 19.131 2.790 ( 17.403 23.078 -0.268) 28.906 3.831 ( 2.284 10.462 -5.306) 11.951 4.449 ( 11.807 24.471 3.957) 27.457 4.735 ( 21.446 19.687 -0.435) 29.115 6.460 ( -3.914 -1.232 -2.968) 5.064 8.162 ( 7.971 17.035 3.405) 19.114 8.821 ( 1.392 -3.236 0.905) 3.637 10.425 ( 1.244 -1.847 -2.572) 3.402 10.967 ( -7.651 -6.572 -17.395) 20.107 12.706 ( -9.125 -20.240 15.199) 26.906 15.098 ( -8.427 -4.263 -12.287) 15.497 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 14.776 1.263 6.770) 16.302 3.256 ( 11.617 22.181 -0.305) 25.041 3.948 ( 1.114 11.695 -5.114) 12.813 4.800 ( 9.565 12.429 3.201) 16.007 5.313 ( 21.835 18.777 -2.619) 28.917 6.351 ( -5.611 -2.071 -1.796) 6.244 8.456 ( 4.571 18.451 3.681) 19.362 8.888 ( 5.846 3.402 -0.043) 6.764 10.472 ( 4.812 2.355 -1.714) 5.625 10.641 ( -12.432 -11.046 -18.494) 24.871 12.378 ( -12.984 -21.310 16.068) 29.680 14.902 ( -4.440 -3.828 -10.257) 11.814 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 12.471 -2.622 3.433) 13.198 3.604 ( 5.035 20.783 -0.549) 21.391 4.058 ( -0.386 12.799 -4.180) 13.470 5.060 ( 8.144 7.978 3.596) 11.955 5.758 ( 15.944 9.383 -8.615) 20.408 6.246 ( -4.710 -0.291 3.670) 5.978 8.693 ( -0.709 20.767 3.014) 20.996 9.069 ( 10.784 5.321 -2.077) 12.203 10.222 ( -15.800 -10.657 -13.897) 23.587 10.624 ( 7.931 5.680 -2.950) 10.191 11.959 ( -18.177 -20.725 12.590) 30.305 14.819 ( 2.743 -4.675 -6.015) 8.097 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 9.429 -5.700 -0.332) 11.023 3.826 ( -1.229 18.951 -0.498) 18.997 4.151 ( -2.359 13.337 -2.539) 13.780 5.248 ( 5.240 4.550 3.409) 7.732 5.937 ( 5.185 0.469 -13.631) 14.591 6.262 ( 2.092 2.725 9.722) 10.311 8.855 ( -6.473 23.522 2.287) 24.503 9.321 ( 14.406 3.233 -5.186) 15.649 9.849 ( -12.072 -6.693 -7.853) 15.881 10.804 ( 6.043 6.890 -1.473) 9.282 11.482 ( -19.607 -17.063 7.787) 27.133 14.838 ( 7.234 -7.143 -2.412) 10.448 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 6.049 -7.988 -3.932) 10.764 3.934 ( -6.467 17.013 -0.142) 18.202 4.214 ( -4.945 13.073 -0.635) 13.992 5.342 ( 1.379 0.838 2.216) 2.741 5.946 ( 2.079 0.695 -9.220) 9.477 6.353 ( 2.215 -1.032 7.850) 8.221 8.949 ( -12.058 25.547 1.683) 28.299 9.491 ( 8.634 -5.995 -5.971) 12.089 9.715 ( 0.184 3.247 -0.760) 3.339 10.920 ( 2.221 0.980 0.668) 2.518 11.090 ( -12.573 -5.578 1.916) 13.888 14.880 ( 7.600 -9.754 -0.561) 12.378 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 2.474 -9.618 -6.663) 11.959 3.939 ( -11.403 14.881 -0.265) 18.750 4.232 ( -7.465 12.000 1.380) 14.200 5.326 ( -2.508 -2.842 0.653) 3.846 5.980 ( 3.484 2.627 -6.614) 7.924 6.349 ( -2.709 -5.144 8.196) 10.049 8.939 ( -16.719 21.888 0.763) 27.554 9.581 ( 4.968 -6.336 1.297) 8.155 9.731 ( 1.324 3.869 1.306) 4.293 10.898 ( 0.525 -3.887 -0.590) 3.967 11.046 ( 3.519 7.099 -2.625) 8.347 14.894 ( 6.042 -10.778 0.679) 12.375 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -1.381 -10.685 -8.147) 13.508 3.832 ( -16.737 12.053 -1.142) 20.657 4.207 ( -9.317 10.271 3.085) 14.207 5.214 ( -5.984 -5.425 -0.169) 8.078 6.044 ( 1.096 2.672 -9.100) 9.547 6.232 ( -5.789 -7.065 12.527) 15.504 8.837 ( -17.556 16.258 0.664) 23.937 9.374 ( -13.677 -7.579 -0.386) 15.642 10.030 ( 18.405 7.936 7.999) 21.580 10.824 ( -6.487 -0.833 0.889) 6.600 11.300 ( 19.467 5.469 -8.682) 22.006 14.894 ( 5.329 -8.873 2.605) 10.673 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -5.675 -11.012 -8.372) 14.952 3.598 ( -22.132 8.477 -2.093) 23.793 4.141 ( -10.375 7.857 3.733) 13.539 5.026 ( -9.352 -6.303 0.052) 11.278 5.824 ( -19.298 -6.824 -2.349) 20.603 6.268 ( 6.315 0.694 5.895) 8.667 8.662 ( -18.339 9.337 0.199) 20.580 9.080 ( -13.193 -3.505 -1.197) 13.703 10.426 ( 12.368 5.642 3.204) 13.966 10.740 ( 0.398 -0.215 8.561) 8.573 11.678 ( 23.562 3.691 -12.425) 26.892 14.942 ( 6.837 -4.273 5.001) 9.487 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -10.382 -10.023 -7.320) 16.181 3.240 ( -26.861 4.758 -2.525) 27.396 4.039 ( -10.486 4.914 3.248) 12.027 4.778 ( -13.666 -5.484 0.965) 14.757 5.323 ( -29.821 -8.282 -1.156) 30.971 6.409 ( 6.442 1.223 3.238) 7.313 8.411 ( -18.469 3.721 -0.361) 18.843 8.871 ( -8.467 -0.234 -1.786) 8.657 10.471 ( -2.349 -0.627 -1.412) 2.811 10.984 ( 14.737 2.575 11.146) 18.655 12.068 ( 24.237 2.319 -10.922) 26.686 15.080 ( 9.276 0.187 5.841) 10.963 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -15.125 -6.753 -4.683) 17.214 2.778 ( -30.391 1.690 -2.008) 30.504 3.911 ( -9.551 2.025 1.970) 9.960 4.423 ( -27.466 -4.003 1.991) 27.828 4.718 ( -28.611 -5.388 -1.898) 29.176 6.511 ( 3.327 0.494 1.509) 3.687 8.120 ( -18.322 0.866 -0.364) 18.346 8.798 ( 0.727 0.664 -1.501) 1.795 10.448 ( 1.204 -0.567 -0.167) 1.341 11.232 ( 8.978 0.360 5.012) 10.288 12.467 ( 24.027 1.692 -5.196) 24.641 15.276 ( 10.115 1.534 3.798) 10.913 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -19.117 -0.000 0.000) 19.117 2.249 ( -32.453 -0.000 0.000) 32.453 3.741 ( -47.034 -0.000 0.000) 47.034 3.777 ( -7.721 -0.000 0.000) 7.721 4.326 ( -17.807 -0.000 0.000) 17.807 6.540 ( -0.156 -0.000 0.000) 0.156 7.825 ( -16.442 -0.000 0.000) 16.442 8.899 ( 10.613 0.000 -0.000) 10.613 10.497 ( 4.703 0.000 -0.000) 4.703 11.331 ( 1.613 0.000 -0.000) 1.613 12.859 ( 22.165 0.000 -0.000) 22.165 15.453 ( 8.800 0.000 -0.000) 8.800 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.000 17.343 6.363) 18.473 1.680 ( -0.000 27.394 -1.883) 27.458 3.473 ( -0.000 51.020 6.101) 51.383 3.726 ( -0.000 5.693 0.867) 5.759 4.133 ( -0.000 17.197 -2.234) 17.341 6.542 ( -0.000 1.839 -0.125) 1.843 7.666 ( -0.000 12.883 1.453) 12.965 8.919 ( 0.000 -15.397 -2.608) 15.617 10.570 ( 0.000 -5.660 -0.752) 5.710 11.195 ( 0.000 4.166 -16.024) 16.557 13.112 ( -0.000 -20.499 7.720) 21.904 15.408 ( 0.000 -1.314 -12.032) 12.104 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.671 13.981 6.749) 15.953 2.112 ( 17.972 24.568 -2.734) 30.562 3.775 ( -0.269 10.635 -1.378) 10.728 4.061 ( 9.755 42.183 4.724) 43.553 4.328 ( 3.581 16.782 -0.722) 17.175 6.548 ( -1.275 1.244 -0.833) 1.967 7.866 ( 7.050 14.508 2.405) 16.308 8.786 ( 0.849 -10.971 -1.559) 11.114 10.480 ( -3.469 -4.451 -1.921) 5.961 11.134 ( -2.281 -1.055 -16.929) 17.114 12.908 ( -3.047 -22.064 10.498) 24.624 15.323 ( -3.426 -2.683 -10.775) 11.621 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 9.185 8.439 6.942) 14.275 2.670 ( 21.211 22.235 -2.912) 30.867 3.884 ( 1.984 10.672 -3.364) 11.364 4.561 ( 5.426 14.771 1.766) 15.835 4.658 ( 13.877 35.464 1.362) 38.107 6.510 ( -3.488 0.005 -1.269) 3.711 8.186 ( 10.523 16.791 4.188) 20.254 8.741 ( 3.449 -3.918 -1.265) 5.371 10.383 ( -1.571 -3.139 -4.360) 5.597 10.973 ( -6.110 -5.571 -16.563) 18.512 12.662 ( -5.086 -23.241 13.746) 27.476 15.159 ( -7.720 -3.637 -10.421) 13.469 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 11.279 3.163 5.323) 12.867 3.208 ( 18.408 20.771 -2.422) 27.860 4.021 ( 2.274 12.673 -5.032) 13.823 4.803 ( 6.920 11.418 3.863) 13.899 5.196 ( 14.528 24.795 -2.401) 28.838 6.429 ( -5.267 -0.166 0.071) 5.270 8.532 ( 8.290 16.084 5.239) 18.838 8.831 ( 6.739 5.956 -1.984) 9.210 10.355 ( 4.522 -2.863 -8.274) 9.854 10.711 ( -10.935 -6.244 -13.619) 18.548 12.379 ( -7.422 -24.401 15.439) 29.813 14.942 ( -8.576 -3.900 -9.370) 13.287 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 10.969 -1.241 2.558) 11.331 3.662 ( 12.502 19.882 -1.547) 23.537 4.163 ( 1.152 14.303 -5.972) 15.542 5.038 ( 7.047 8.644 5.997) 12.663 5.585 ( 12.079 11.914 -7.912) 18.721 6.351 ( -5.237 1.907 4.001) 6.860 8.814 ( 8.332 12.334 2.095) 15.031 9.027 ( 3.579 14.087 -1.330) 14.596 10.301 ( -6.673 -8.405 -17.540) 20.563 10.538 ( 3.029 4.390 -1.836) 5.641 12.035 ( -11.490 -24.498 13.900) 30.420 14.758 ( -4.187 -4.941 -6.528) 9.195 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 9.258 -4.551 -0.658) 10.337 3.998 ( 4.994 19.391 -0.033) 20.024 4.290 ( -0.292 14.585 -5.911) 15.740 5.238 ( 4.758 6.301 6.773) 10.403 5.780 ( 8.181 1.974 -12.419) 15.002 6.331 ( -2.841 3.188 8.198) 9.244 9.087 ( 11.626 8.827 -4.121) 15.167 9.183 ( -1.606 16.109 0.475) 16.196 10.006 ( -13.635 -0.892 -9.815) 16.824 10.724 ( 9.872 6.138 -2.564) 11.904 11.622 ( -15.118 -21.723 9.979) 28.285 14.665 ( 2.271 -7.774 -3.142) 8.687 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 6.760 -6.700 -3.598) 10.175 4.204 ( -3.018 18.978 1.303) 19.261 4.394 ( -1.560 13.693 -4.238) 14.419 5.348 ( 0.587 2.388 4.526) 5.150 5.859 ( 5.573 1.303 -11.388) 12.745 6.351 ( -0.498 -0.874 9.155) 9.210 9.254 ( 8.808 -2.283 -8.068) 12.161 9.379 ( -2.326 25.070 2.754) 25.327 9.806 ( -9.098 6.015 -3.569) 11.476 10.888 ( 2.997 0.438 0.338) 3.047 11.230 ( -11.650 -11.381 3.789) 16.722 14.645 ( 6.622 -11.085 -0.975) 12.949 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.756 -7.768 -5.612) 10.293 4.276 ( -9.392 16.846 0.548) 19.295 4.470 ( -4.530 13.451 -0.149) 14.194 5.338 ( -2.411 -2.615 0.496) 3.591 5.929 ( 3.783 4.208 -8.369) 10.103 6.346 ( -0.386 -5.868 9.284) 10.990 9.336 ( 4.963 -3.153 -3.811) 7.007 9.509 ( -11.133 24.820 3.327) 27.405 9.801 ( -0.257 7.122 -1.064) 7.206 10.799 ( -0.797 -9.905 2.196) 10.177 11.122 ( -2.606 3.964 -2.460) 5.344 14.654 ( 8.171 -12.538 0.084) 14.966 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 0.316 -7.867 -6.329) 10.102 4.221 ( -14.444 13.025 -0.625) 19.460 4.492 ( -9.031 13.045 3.293) 16.204 5.234 ( -3.991 -6.191 -2.121) 7.665 6.008 ( 3.207 5.331 -7.570) 9.798 6.281 ( -3.367 -8.405 10.241) 13.670 9.289 ( -13.895 10.617 0.446) 17.492 9.482 ( -7.306 -3.889 0.438) 8.288 9.947 ( 5.591 17.064 5.299) 18.722 10.821 ( 7.173 -2.892 -1.591) 7.896 11.103 ( 1.527 0.305 -4.563) 4.821 14.683 ( 8.699 -10.598 1.091) 13.755 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -3.553 -6.917 -5.655) 9.615 4.036 ( -19.738 8.504 -1.046) 21.517 4.436 ( -12.517 10.069 3.819) 16.512 5.083 ( -5.303 -6.706 -2.202) 8.828 6.015 ( -8.279 0.290 -6.228) 10.364 6.202 ( 2.163 -3.818 8.891) 9.915 9.072 ( -20.512 5.339 0.186) 21.196 9.286 ( -11.705 -0.449 0.823) 11.742 10.302 ( 13.159 14.597 5.069) 20.296 10.791 ( -5.595 -4.363 3.126) 7.753 11.274 ( 20.698 -1.128 -9.486) 22.796 14.762 ( 9.789 -5.882 2.209) 11.632 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -7.723 -4.502 -3.564) 9.624 3.716 ( -24.701 3.811 -0.888) 25.009 4.298 ( -13.299 4.704 2.137) 14.267 4.914 ( -8.114 -3.796 -0.743) 8.989 5.712 ( -22.327 -3.057 -0.574) 22.543 6.307 ( 7.302 0.302 2.037) 7.587 8.759 ( -19.424 1.226 -0.159) 19.464 9.076 ( -14.232 1.753 0.126) 14.340 10.534 ( -3.962 4.565 -2.717) 6.627 10.784 ( 13.154 -1.681 8.293) 15.641 11.630 ( 24.823 -0.209 -6.528) 25.668 14.913 ( 11.155 -1.418 2.199) 11.458 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -11.802 -0.000 0.000) 11.802 3.283 ( -28.346 -0.000 0.000) 28.346 4.109 ( -11.909 -0.000 0.000) 11.909 4.721 ( -13.044 -0.000 0.000) 13.044 5.232 ( -31.718 -0.000 0.000) 31.718 6.432 ( 6.450 0.000 -0.000) 6.450 8.444 ( -19.018 -0.000 0.000) 19.018 8.873 ( -9.378 -0.000 0.000) 9.378 10.460 ( -3.202 -0.000 0.000) 3.202 11.049 ( 13.975 0.000 -0.000) 13.975 12.044 ( 25.405 0.000 -0.000) 25.405 15.106 ( 11.374 0.000 -0.000) 11.374 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -0.000 12.572 1.702) 12.687 2.177 ( -0.000 24.763 -1.377) 24.802 3.850 ( -0.000 6.215 0.938) 6.285 4.358 ( -0.000 31.146 -7.114) 31.948 4.528 ( -0.000 29.333 7.803) 30.353 6.571 ( -0.000 1.284 -0.300) 1.319 7.945 ( -0.000 13.791 2.443) 14.006 8.681 ( 0.000 -6.913 -1.441) 7.062 10.470 ( 0.000 -3.415 -1.532) 3.743 11.060 ( 0.000 -5.036 -18.905) 19.564 12.748 ( -0.000 -23.762 11.566) 26.427 15.296 ( 0.000 -2.199 -9.251) 9.509 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 2.486 9.047 1.591) 9.516 2.549 ( 15.517 22.037 -2.283) 27.048 3.932 ( 2.127 7.556 -0.121) 7.850 4.594 ( 4.232 16.726 -5.765) 18.191 4.909 ( 3.081 34.677 5.247) 35.206 6.563 ( -2.265 0.923 0.105) 2.448 8.173 ( 9.645 14.208 3.650) 17.556 8.654 ( 2.289 -1.191 -1.482) 2.976 10.397 ( -4.275 -2.057 -3.630) 5.974 10.915 ( -1.583 -7.804 -18.132) 19.803 12.535 ( -2.270 -24.944 13.202) 28.313 15.203 ( -4.756 -2.484 -8.447) 10.006 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 6.342 4.344 1.687) 7.870 3.053 ( 20.390 19.016 -2.818) 28.023 4.070 ( 4.147 10.381 -2.070) 11.369 4.800 ( 5.786 11.175 -1.583) 12.684 5.292 ( 4.955 26.221 0.188) 26.686 6.521 ( -4.164 1.757 1.541) 4.775 8.535 ( 11.619 14.488 5.509) 19.372 8.743 ( 8.433 5.813 -2.709) 10.594 10.274 ( -3.531 -3.999 -9.124) 10.570 10.742 ( -4.162 -5.249 -13.349) 14.936 12.281 ( -4.246 -25.958 14.323) 29.950 15.031 ( -8.878 -2.846 -7.653) 12.062 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 8.115 0.064 0.484) 8.130 3.555 ( 19.239 16.324 -2.440) 25.349 4.248 ( 3.804 14.043 -4.188) 15.139 5.001 ( 7.720 6.718 2.621) 10.564 5.559 ( 3.868 14.253 -4.762) 15.517 6.483 ( -4.829 4.290 4.229) 7.721 8.779 ( 5.867 9.065 -1.535) 10.906 9.072 ( 12.378 15.916 3.185) 20.413 10.159 ( 2.273 -7.244 -14.625) 16.478 10.606 ( -4.921 2.338 -6.809) 8.720 11.985 ( -6.755 -26.436 13.894) 30.620 14.815 ( -9.543 -3.599 -5.944) 11.805 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 8.002 -3.069 -1.382) 8.681 3.985 ( 14.992 13.863 -1.179) 20.453 4.424 ( 0.788 16.871 -5.780) 17.851 5.212 ( 8.796 4.320 6.608) 11.819 5.669 ( 2.370 4.088 -8.873) 10.053 6.467 ( -5.103 5.007 6.329) 9.548 8.952 ( 7.356 6.248 -8.122) 12.614 9.355 ( 2.242 13.847 5.056) 14.910 10.122 ( 0.610 2.283 -11.160) 11.408 10.620 ( 5.019 6.065 -4.349) 8.994 11.638 ( -9.770 -25.264 11.727) 29.517 14.617 ( -6.072 -5.746 -3.461) 9.048 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 6.667 -4.868 -3.120) 8.825 4.319 ( 9.616 12.202 1.248) 15.586 4.550 ( -2.855 16.588 -6.224) 17.946 5.391 ( 2.519 3.716 8.215) 9.362 5.710 ( 6.530 0.147 -11.172) 12.941 6.434 ( -5.593 1.263 7.133) 9.152 9.061 ( 6.667 -0.753 -11.011) 12.894 9.546 ( 4.635 14.144 4.614) 15.583 10.098 ( -10.386 14.384 -4.144) 18.219 10.810 ( 8.814 4.466 -3.488) 10.478 11.274 ( -9.399 -19.979 7.832) 23.427 14.481 ( -0.475 -9.024 -1.334) 9.135 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 4.563 -5.401 -4.108) 8.177 4.548 ( -0.137 12.907 5.282) 13.946 4.613 ( -1.878 12.589 -6.703) 14.385 5.389 ( -5.472 -0.782 2.257) 5.971 5.843 ( 9.117 4.185 -8.130) 12.912 6.356 ( -4.591 -4.698 8.129) 10.451 9.131 ( 8.837 -3.206 -6.381) 11.361 9.822 ( 8.233 15.366 1.531) 17.500 10.014 ( -16.420 16.235 -0.323) 23.093 10.783 ( -7.349 -10.070 3.400) 12.922 11.138 ( 2.614 -0.713 -1.844) 3.278 14.417 ( 4.840 -11.013 -0.207) 12.031 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.899 -4.792 -3.980) 6.512 4.545 ( -10.827 9.928 -0.855) 14.714 4.736 ( -1.211 12.255 3.317) 12.754 5.246 ( -7.053 -5.686 -2.627) 9.433 5.989 ( 4.253 7.578 -7.886) 11.735 6.262 ( -1.852 -9.294 9.627) 13.509 9.258 ( 10.148 -2.144 -1.336) 10.457 9.787 ( -19.223 4.880 -1.767) 19.911 10.142 ( 2.506 21.403 6.009) 22.371 10.641 ( 2.948 -6.273 -0.988) 7.001 11.126 ( -3.371 -1.760 -2.974) 4.828 14.432 ( 8.726 -9.261 0.326) 12.729 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -1.210 -3.047 -2.598) 4.183 4.396 ( -15.237 4.917 -0.698) 16.026 4.772 ( -11.990 11.542 5.040) 17.389 5.061 ( -2.841 -8.610 -4.439) 10.094 6.076 ( 0.561 7.514 -8.906) 11.666 6.179 ( -1.442 -9.086 10.298) 13.809 9.370 ( 2.663 -0.063 0.599) 2.730 9.454 ( -21.522 0.406 -0.294) 21.528 10.362 ( 0.449 16.084 5.422) 16.979 10.770 ( 12.532 -1.087 -1.910) 12.723 10.991 ( -2.109 -6.713 -3.915) 8.052 14.535 ( 11.021 -4.440 0.593) 11.896 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -4.547 -0.000 0.000) 4.547 4.118 ( -20.448 -0.000 0.000) 20.448 4.579 ( -16.023 -0.000 0.000) 16.023 4.982 ( -2.807 -0.000 0.000) 2.807 5.991 ( -12.265 -0.000 0.000) 12.265 6.199 ( 5.555 0.000 -0.000) 5.555 9.097 ( -20.583 -0.000 0.000) 20.583 9.310 ( -10.009 -0.000 0.000) 10.009 10.552 ( 11.163 0.000 -0.000) 11.163 10.705 ( -10.005 -0.000 0.000) 10.005 11.202 ( 23.536 0.000 -0.000) 23.536 14.711 ( 11.853 0.000 -0.000) 11.853 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.000 6.925 -2.836) 7.484 2.617 ( -0.000 20.991 -0.755) 21.005 3.975 ( -0.000 5.904 0.923) 5.975 4.703 ( 0.000 16.021 -6.325) 17.225 5.216 ( -0.000 29.384 3.088) 29.545 6.598 ( -0.000 1.719 1.068) 2.023 8.215 ( -0.000 11.329 3.285) 11.796 8.645 ( -0.000 4.117 -1.042) 4.247 10.429 ( 0.000 0.823 -2.347) 2.487 10.758 ( 0.000 -11.037 -19.553) 22.453 12.353 ( -0.000 -25.869 13.221) 29.052 15.198 ( 0.000 -1.752 -7.095) 7.308 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 2.197 3.696 -3.183) 5.349 2.927 ( 13.403 17.935 -1.350) 22.430 4.072 ( 4.299 6.655 0.318) 7.930 4.841 ( 1.884 12.523 -4.784) 13.538 5.482 ( 1.072 21.319 0.207) 21.347 6.607 ( -2.167 3.366 2.131) 4.535 8.447 ( 13.353 10.581 4.207) 17.548 8.717 ( 1.582 8.595 -1.938) 8.952 10.326 ( -9.267 -2.836 -8.208) 12.700 10.642 ( 3.927 -5.878 -12.972) 14.773 12.128 ( -2.070 -26.319 13.187) 29.511 15.112 ( -5.614 -1.589 -6.130) 8.463 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 4.950 0.373 -2.734) 5.667 3.361 ( 19.052 14.238 -1.907) 23.860 4.254 ( 7.940 9.479 -0.993) 12.404 4.971 ( 3.429 7.670 -2.170) 8.677 5.652 ( 0.038 12.120 -2.305) 12.337 6.615 ( -3.197 5.638 3.432) 7.334 8.802 ( 4.337 11.853 0.060) 12.622 8.913 ( 19.642 10.195 1.168) 22.161 10.082 ( -7.151 -7.161 -12.046) 15.733 10.638 ( 1.019 2.142 -7.498) 7.864 11.865 ( -4.210 -26.202 12.622) 29.387 14.941 ( -10.012 -1.865 -4.894) 11.299 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 6.337 -2.058 -2.737) 7.203 3.801 ( 19.012 10.520 -1.717) 21.796 4.501 ( 7.643 14.160 -2.917) 16.353 5.101 ( 7.156 2.059 1.411) 7.579 5.704 ( -2.245 5.071 -3.770) 6.706 6.625 ( -4.437 5.943 4.212) 8.529 8.925 ( 1.260 9.068 -7.366) 11.750 9.371 ( 14.542 9.902 6.344) 18.702 9.962 ( 7.590 -2.077 -10.699) 13.282 10.655 ( -1.052 6.454 -5.781) 8.728 11.566 ( -6.635 -25.225 11.342) 28.443 14.719 ( -11.418 -2.914 -3.196) 12.210 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 6.243 -3.223 -2.869) 7.589 4.183 ( 16.352 7.451 -0.850) 17.990 4.720 ( 0.938 16.405 -4.337) 16.994 5.288 ( 13.441 -0.866 5.045) 14.383 5.664 ( -3.650 1.266 -5.211) 6.487 6.592 ( -7.072 3.388 4.350) 8.968 8.961 ( 0.868 1.861 -10.203) 10.408 9.592 ( 4.387 8.103 4.376) 10.201 10.228 ( 13.237 11.557 -3.676) 17.952 10.707 ( 3.587 6.295 -6.002) 9.409 11.238 ( -8.322 -22.898 9.680) 26.216 14.494 ( -9.297 -4.895 -1.507) 10.614 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 5.119 -3.182 -2.664) 6.590 4.493 ( 13.202 5.605 0.395) 14.349 4.808 ( -4.887 11.821 -3.155) 13.174 5.491 ( -0.992 0.813 7.656) 7.763 5.641 ( 10.821 0.297 -8.879) 14.001 6.479 ( -9.603 -0.515 4.228) 10.505 8.965 ( 4.555 -1.631 -6.842) 8.380 9.802 ( 8.745 10.353 1.253) 13.610 10.379 ( -9.465 12.223 0.396) 15.464 10.832 ( -1.456 -0.306 -2.414) 2.835 10.994 ( 6.088 -11.521 3.722) 13.552 14.318 ( -3.966 -6.427 -0.403) 7.563 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 3.357 -2.084 -1.770) 4.330 4.740 ( 9.912 4.113 1.980) 10.912 4.775 ( -7.958 5.891 -2.023) 10.106 5.370 ( -10.586 -1.128 0.035) 10.646 5.884 ( 13.189 3.255 -3.471) 14.021 6.308 ( -9.151 -3.573 4.010) 10.611 9.057 ( 9.767 -1.144 -2.205) 10.078 10.065 ( 4.399 12.448 -4.691) 14.011 10.214 ( -9.687 -2.826 6.463) 11.983 10.689 ( -8.334 0.418 0.887) 8.391 11.104 ( 4.552 -1.369 -1.827) 5.092 14.253 ( 3.294 -4.834 0.026) 5.850 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 1.185 0.000 -0.000) 1.185 4.639 ( -11.153 -0.000 0.000) 11.153 4.913 ( 6.719 0.000 -0.000) 6.719 5.138 ( -15.255 -0.000 0.000) 15.255 6.072 ( 6.661 0.000 -0.000) 6.661 6.167 ( -4.815 -0.000 0.000) 4.815 9.233 ( 11.064 0.000 -0.000) 11.064 9.824 ( -21.700 -0.000 0.000) 21.700 10.436 ( 18.935 0.000 -0.000) 18.935 10.554 ( -8.272 -0.000 0.000) 8.272 11.068 ( -6.112 -0.000 0.000) 6.112 14.337 ( 9.086 0.000 -0.000) 9.086 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.000 1.665 -6.057) 6.282 2.974 ( -0.000 15.927 -0.276) 15.929 4.088 ( -0.000 4.895 0.833) 4.965 4.928 ( 0.000 11.242 -4.998) 12.303 5.650 ( -0.000 14.597 -0.774) 14.618 6.672 ( -0.000 4.656 1.989) 5.063 8.417 ( -0.000 6.877 3.413) 7.677 8.810 ( -0.000 12.985 -1.392) 13.059 10.395 ( 0.000 -12.327 -16.250) 20.397 10.468 ( 0.000 4.696 -2.633) 5.384 11.936 ( -0.000 -25.748 12.018) 28.415 15.130 ( 0.000 -0.851 -5.005) 5.077 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.334 -0.394 -5.700) 6.172 3.218 ( 11.783 12.500 -0.627) 17.189 4.191 ( 6.528 5.161 0.484) 8.336 5.011 ( 0.365 8.137 -3.818) 8.996 5.753 ( -0.611 8.321 -1.444) 8.467 6.716 ( -1.229 5.380 1.772) 5.796 8.631 ( 16.614 5.575 3.436) 17.858 8.938 ( -0.671 14.918 -2.531) 15.146 10.121 ( -9.452 -9.053 -11.157) 17.198 10.578 ( 5.598 3.713 -4.593) 8.137 11.714 ( -2.216 -24.208 10.693) 26.557 15.055 ( -6.178 -0.668 -3.912) 7.343 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 4.624 -1.714 -4.200) 6.478 3.574 ( 17.546 8.576 -1.011) 19.556 4.415 ( 12.704 7.141 -0.224) 14.575 5.068 ( 0.642 3.977 -1.931) 4.467 5.781 ( -2.365 3.911 -1.571) 4.833 6.746 ( -2.151 4.848 1.766) 5.590 9.026 ( -1.071 12.074 -3.686) 12.669 9.085 ( 24.662 5.659 2.287) 25.406 9.882 ( -4.625 -5.195 -7.504) 10.232 10.679 ( 3.080 5.116 -4.252) 7.331 11.467 ( -4.759 -21.677 9.108) 23.990 14.887 ( -11.076 -0.961 -2.627) 11.424 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 5.705 -2.007 -2.721) 6.631 3.942 ( 18.283 5.024 -0.856) 18.980 4.737 ( 14.049 11.132 -1.679) 18.003 5.105 ( 3.703 -2.098 0.712) 4.315 5.743 ( -4.406 1.461 -1.429) 4.857 6.738 ( -4.538 3.134 1.830) 5.810 9.007 ( -6.190 4.539 -6.977) 10.373 9.540 ( 14.684 3.939 4.730) 15.922 9.940 ( 19.185 4.271 -5.166) 20.322 10.747 ( 0.175 5.528 -3.609) 6.604 11.199 ( -7.479 -18.032 7.304) 20.843 14.658 ( -13.350 -1.656 -1.335) 13.519 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 5.539 -1.383 -1.400) 5.878 4.273 ( 16.838 2.397 -0.315) 17.011 4.960 ( -2.063 9.229 -2.333) 9.740 5.261 ( 20.029 -3.600 2.408) 20.492 5.656 ( -6.264 0.314 -1.404) 6.427 6.655 ( -8.563 1.007 1.448) 8.743 8.919 ( -2.688 -0.023 -4.165) 4.957 9.743 ( 7.585 4.283 1.428) 8.826 10.427 ( 24.615 9.056 -1.695) 26.283 10.745 ( -3.096 -0.811 -2.548) 4.091 10.940 ( -7.509 -10.183 4.734) 13.509 14.417 ( -11.889 -1.967 -0.400) 12.057 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 4.623 0.000 -0.000) 4.623 4.549 ( 14.408 0.000 -0.000) 14.408 4.918 ( -5.957 -0.000 0.000) 5.957 5.530 ( -8.459 -0.000 0.000) 8.459 5.607 ( 19.756 0.000 -0.000) 19.756 6.487 ( -11.549 -0.000 0.000) 11.549 8.923 ( 4.371 0.000 -0.000) 4.371 9.924 ( 11.074 0.000 -0.000) 11.074 10.494 ( -16.897 -0.000 0.000) 16.897 10.814 ( -5.644 -0.000 0.000) 5.644 10.897 ( 18.919 0.000 -0.000) 18.919 14.250 ( -5.643 -0.000 0.000) 5.643 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.000 -1.329 -6.298) 6.437 3.225 ( -0.000 9.843 -0.050) 9.843 4.173 ( -0.000 3.294 0.618) 3.351 5.070 ( 0.000 6.469 -3.380) 7.299 5.819 ( -0.000 4.966 -1.027) 5.071 6.776 ( -0.000 4.238 0.430) 4.260 8.533 ( -0.000 3.066 2.530) 3.975 9.099 ( -0.000 17.000 -1.830) 17.098 10.071 ( 0.000 -11.406 -9.811) 15.044 10.554 ( 0.000 5.290 -2.028) 5.666 11.548 ( -0.000 -20.641 8.511) 22.327 15.093 ( 0.000 -0.175 -2.954) 2.959 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 2.653 -1.572 -4.473) 5.433 3.399 ( 10.721 6.334 -0.229) 12.454 4.274 ( 8.374 2.897 0.364) 8.868 5.106 ( -0.629 3.868 -2.161) 4.475 5.841 ( -1.379 2.504 -0.706) 2.945 6.807 ( -0.486 2.913 0.076) 2.954 8.722 ( 18.133 2.099 1.901) 18.353 9.223 ( -4.101 15.043 -2.587) 15.805 9.883 ( -4.724 -8.838 -5.390) 11.379 10.639 ( 4.449 3.785 -1.988) 6.170 11.375 ( -2.672 -15.636 6.159) 17.016 15.027 ( -6.522 -0.140 -1.887) 6.791 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 4.759 -1.033 -1.983) 5.258 3.680 ( 16.565 2.829 -0.310) 16.808 4.514 ( 16.447 2.749 0.028) 16.676 5.106 ( -1.641 1.122 -0.786) 2.138 5.817 ( -3.155 0.893 -0.406) 3.304 6.814 ( -1.547 1.511 0.256) 2.178 9.159 ( 28.046 1.738 1.032) 28.118 9.191 ( -9.647 5.331 -2.627) 11.330 9.789 ( 2.480 -1.214 -1.882) 3.341 10.738 ( 4.010 2.295 -1.377) 4.821 11.199 ( -5.869 -9.075 3.488) 11.356 14.864 ( -11.752 -0.279 -0.819) 11.784 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 5.611 0.000 -0.000) 5.611 3.988 ( 17.979 0.000 -0.000) 17.979 4.861 ( 21.992 0.000 -0.000) 21.992 5.067 ( -3.104 -0.000 0.000) 3.104 5.751 ( -4.907 -0.000 0.000) 4.907 6.774 ( -4.504 -0.000 0.000) 4.504 9.022 ( -9.603 -0.000 0.000) 9.603 9.597 ( 16.080 0.000 -0.000) 16.080 9.979 ( 23.619 0.000 -0.000) 23.619 10.792 ( 0.522 0.000 -0.000) 0.522 11.034 ( -8.624 -0.000 0.000) 8.624 14.637 ( -14.178 -0.000 0.000) 14.178 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 -1.008 -2.732) 2.912 3.353 ( -0.000 3.306 0.000) 3.306 4.221 ( -0.000 1.176 0.235) 1.199 5.135 ( 0.000 2.069 -1.202) 2.393 5.869 ( -0.000 1.176 -0.292) 1.211 6.829 ( -0.000 1.304 -0.292) 1.336 8.581 ( -0.000 0.804 0.922) 1.223 9.405 ( -0.000 13.608 -1.024) 13.647 9.809 ( 0.000 -10.216 -2.991) 10.645 10.622 ( -0.000 2.248 -0.750) 2.370 11.297 ( -0.000 -8.263 3.126) 8.834 15.078 ( 0.000 0.022 -0.973) 0.973 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 2.826 0.000 -0.000) 2.826 3.460 ( 10.344 0.000 -0.000) 10.344 4.304 ( 9.112 0.000 -0.000) 9.112 5.135 ( -0.981 -0.000 0.000) 0.981 5.861 ( -1.581 -0.000 0.000) 1.581 6.833 ( -0.222 -0.000 0.000) 0.222 8.748 ( 18.556 0.000 -0.000) 18.556 9.400 ( -9.015 -0.000 0.000) 9.015 9.747 ( 0.770 0.000 -0.000) 0.770 10.671 ( 4.133 0.000 -0.000) 4.133 11.237 ( -2.994 -0.000 0.000) 2.994 15.020 ( -6.642 -0.000 0.000) 6.642 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -0.000 0.000 22.525) 22.525 0.241 ( -0.000 0.000 22.525) 22.525 0.445 ( -0.000 0.000 41.630) 41.630 3.523 ( 0.000 -0.000 -0.976) 0.976 3.523 ( 0.000 -0.000 -0.976) 0.976 7.254 ( -0.000 0.000 0.791) 0.791 7.254 ( -0.000 0.000 0.791) 0.791 7.978 ( 0.000 -0.000 -4.037) 4.037 10.803 ( 0.000 -0.000 -0.486) 0.486 10.803 ( 0.000 -0.000 -0.486) 0.486 13.729 ( -0.000 0.000 1.546) 1.546 14.361 ( 0.000 -0.000 -0.623) 0.623 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 18.237 10.529 21.377) 30.007 0.782 ( 24.975 14.420 14.536) 32.296 1.160 ( 45.799 26.442 8.777) 53.608 3.524 ( 1.098 0.634 -2.217) 2.554 3.649 ( 8.168 4.716 -1.463) 9.544 6.543 ( -5.910 -3.412 9.511) 11.706 7.310 ( 4.440 2.563 1.361) 5.304 9.537 ( 11.938 6.893 -28.875) 31.996 10.760 ( 6.946 4.011 -16.444) 18.296 10.763 ( -3.044 -1.758 -0.908) 3.631 13.661 ( -6.582 -3.800 2.870) 8.124 15.310 ( 24.978 14.421 -40.770) 49.940 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 19.512 11.265 15.975) 27.619 1.394 ( 25.051 14.463 11.501) 31.129 2.240 ( 47.322 27.321 2.627) 54.706 3.556 ( 2.533 1.462 -3.208) 4.341 3.887 ( 13.099 7.563 -0.235) 15.127 6.511 ( -0.436 -0.252 1.320) 1.412 7.459 ( 8.244 4.760 1.815) 9.691 9.372 ( -13.614 -7.860 -0.678) 15.734 10.668 ( -4.864 -2.808 -1.256) 5.755 10.937 ( 12.081 6.975 -22.666) 26.614 13.471 ( -11.251 -6.496 6.047) 14.330 15.446 ( 1.243 0.718 -19.889) 19.940 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 19.427 11.216 11.329) 25.131 1.977 ( 23.337 13.474 9.502) 28.574 3.272 ( 43.352 25.029 0.748) 50.064 3.612 ( 3.557 2.054 -3.846) 5.627 4.224 ( 16.803 9.701 0.666) 19.414 6.499 ( -0.872 -0.504 -2.372) 2.577 7.683 ( 10.739 6.200 2.102) 12.577 9.075 ( -11.859 -6.847 3.690) 14.182 10.551 ( -4.633 -2.675 -1.474) 5.549 11.069 ( 5.471 3.158 -20.424) 21.378 13.217 ( -13.766 -7.948 11.219) 19.456 15.309 ( -6.745 -3.894 -15.976) 17.773 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 17.441 10.070 7.683) 21.555 2.500 ( 20.337 11.742 7.585) 24.678 3.684 ( 3.968 2.291 -4.038) 6.107 4.139 ( 32.139 18.556 -0.883) 37.122 4.659 ( 22.410 12.938 1.494) 25.920 6.444 ( -2.965 -1.712 -4.646) 5.771 7.938 ( 10.790 6.230 2.247) 12.661 8.903 ( -4.375 -2.526 4.804) 6.971 10.469 ( -1.839 -1.062 -1.548) 2.628 11.007 ( -4.907 -2.833 -20.037) 20.823 12.936 ( -16.002 -9.239 16.572) 24.820 15.080 ( -7.359 -4.249 -15.811) 17.949 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 13.870 8.008 4.401) 16.609 2.937 ( 16.352 9.441 5.558) 19.682 3.758 ( 3.742 2.160 -3.660) 5.662 4.682 ( 17.995 10.389 -0.511) 20.785 5.235 ( 26.474 15.285 -0.542) 30.575 6.337 ( -4.855 -2.803 -4.531) 7.208 8.163 ( 8.124 4.690 2.275) 9.653 8.920 ( 4.319 2.494 4.321) 6.598 10.471 ( 2.652 1.531 -1.509) 3.414 10.718 ( -13.777 -7.954 -19.930) 25.500 12.585 ( -21.201 -12.241 16.993) 29.801 14.921 ( -1.479 -0.854 -12.711) 12.825 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 9.544 5.510 1.094) 11.075 3.269 ( 11.783 6.803 3.400) 14.024 3.823 ( 3.050 1.761 -2.544) 4.344 5.010 ( 11.828 6.829 0.709) 13.676 5.753 ( 19.365 11.180 -6.288) 23.228 6.217 ( -4.216 -2.434 0.336) 4.880 8.311 ( 4.430 2.558 2.133) 5.542 9.111 ( 11.156 6.441 2.499) 13.122 10.297 ( -16.594 -9.581 -17.405) 25.886 10.569 ( 6.049 3.492 -1.402) 7.124 12.103 ( -25.697 -14.836 12.391) 32.155 14.924 ( 4.213 2.433 -6.912) 8.452 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 5.288 3.053 -2.341) 6.540 3.487 ( 6.890 3.978 0.977) 8.016 3.876 ( 2.164 1.249 -0.522) 2.552 5.227 ( 7.138 4.121 1.602) 8.396 5.976 ( 3.408 1.968 -14.470) 14.995 6.239 ( 5.326 3.075 9.749) 11.527 8.384 ( 1.685 0.973 1.785) 2.640 9.407 ( 13.927 8.041 0.091) 16.082 9.908 ( -12.215 -7.052 -11.786) 18.380 10.706 ( 5.919 3.418 -1.272) 6.952 11.563 ( -24.385 -14.079 7.677) 29.185 15.021 ( 5.075 2.930 -2.674) 6.441 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 1.491 0.861 -5.656) 5.912 3.584 ( 1.811 1.046 -1.585) 2.624 3.917 ( 1.210 0.699 2.046) 2.478 5.341 ( 2.320 1.340 2.189) 3.460 5.962 ( 1.062 0.613 -9.385) 9.465 6.380 ( 2.774 1.601 7.395) 8.059 8.408 ( 0.136 0.079 1.300) 1.310 9.674 ( 5.927 3.422 -0.209) 6.847 9.717 ( 0.563 0.325 -5.596) 5.634 10.801 ( 2.536 1.464 -1.147) 3.145 11.131 ( -13.758 -7.943 3.789) 16.332 15.104 ( 2.414 1.394 -0.673) 2.868 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -1.994 -1.151 -8.341) 8.653 3.559 ( -3.157 -1.823 -3.418) 4.997 3.942 ( -0.038 -0.022 3.886) 3.887 5.345 ( -2.617 -1.511 2.312) 3.805 5.982 ( 3.257 1.880 -7.450) 8.346 6.395 ( -4.067 -2.348 8.737) 9.919 8.403 ( -0.946 -0.546 0.809) 1.359 9.656 ( -6.921 -3.996 -1.858) 8.204 9.827 ( 8.674 5.008 4.285) 10.894 10.803 ( -2.053 -1.185 -1.006) 2.575 11.066 ( 7.956 4.593 -1.943) 9.390 15.120 ( -0.882 -0.509 0.728) 1.252 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( -5.646 -3.260 -10.036) 11.967 3.419 ( -8.053 -4.649 -4.569) 10.361 3.940 ( -1.482 -0.856 4.661) 4.965 5.241 ( -7.254 -4.188 2.206) 8.662 6.017 ( -0.307 -0.177 -9.606) 9.613 6.288 ( -6.495 -3.750 13.405) 15.360 8.369 ( -2.415 -1.394 0.410) 2.818 9.373 ( -14.891 -8.597 -3.064) 17.465 10.167 ( 17.671 10.203 11.478) 23.412 10.711 ( -5.398 -3.117 -0.791) 6.283 11.384 ( 19.632 11.335 -8.269) 24.131 15.087 ( -2.105 -1.215 3.139) 3.970 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -9.792 -5.654 -10.734) 15.591 3.165 ( -12.967 -7.487 -5.635) 15.999 3.908 ( -2.824 -1.630 4.770) 5.778 5.040 ( -11.396 -6.579 2.612) 13.416 5.758 ( -19.190 -11.079 -4.093) 22.533 6.320 ( 4.086 2.359 8.449) 9.677 8.289 ( -5.041 -2.911 0.103) 5.822 9.040 ( -12.520 -7.229 -4.257) 15.071 10.579 ( -5.494 -3.172 -0.446) 6.359 10.642 ( 19.264 11.122 13.720) 26.135 11.818 ( 21.468 12.395 -12.976) 27.980 15.076 ( 0.257 0.148 6.652) 6.659 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -14.188 -8.192 -10.545) 19.484 2.799 ( -17.616 -10.171 -6.713) 21.420 3.849 ( -3.850 -2.223 4.434) 6.279 4.744 ( -16.574 -9.569 4.439) 19.646 5.198 ( -28.315 -16.348 -3.199) 32.852 6.449 ( 4.346 2.509 5.359) 7.342 8.135 ( -8.607 -4.969 -0.172) 9.940 8.819 ( -4.997 -2.885 -5.112) 7.709 10.488 ( -2.153 -1.243 0.001) 2.486 11.071 ( 13.865 8.005 11.384) 19.645 12.241 ( 20.403 11.780 -13.252) 27.031 15.161 ( 4.783 2.762 8.884) 10.461 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -18.071 -10.433 -9.382) 22.879 2.332 ( -21.551 -12.442 -7.516) 25.995 3.771 ( -4.339 -2.505 3.761) 6.265 4.228 ( -34.281 -19.792 7.101) 40.217 4.591 ( -20.747 -11.978 -4.845) 24.442 6.530 ( 1.359 0.784 3.065) 3.443 7.909 ( -11.116 -6.418 -0.390) 12.841 8.799 ( 4.904 2.831 -4.868) 7.468 10.490 ( 2.150 1.241 0.372) 2.510 11.314 ( 4.740 2.737 6.674) 8.631 12.651 ( 19.574 11.301 -8.283) 24.072 15.335 ( 7.527 4.346 7.323) 11.366 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -20.700 -11.951 -6.762) 24.841 1.786 ( -24.436 -14.108 -7.658) 29.237 3.331 ( -45.130 -26.056 5.799) 52.433 3.686 ( -4.146 -2.394 2.825) 5.559 4.190 ( -15.406 -8.895 -2.499) 17.964 6.535 ( -1.257 -0.726 0.946) 1.733 7.655 ( -10.863 -6.272 -0.433) 12.550 8.994 ( 13.263 7.657 -3.924) 15.809 10.573 ( 4.699 2.713 0.480) 5.447 11.344 ( -3.225 -1.862 3.441) 5.070 13.053 ( 17.615 10.170 -2.959) 20.554 15.519 ( 6.745 3.894 2.520) 8.186 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -21.768 -12.568 -1.188) 25.163 1.190 ( -26.176 -15.112 -6.619) 30.941 2.291 ( -48.907 -28.236 6.747) 56.875 3.609 ( -3.309 -1.910 1.676) 4.172 3.869 ( -12.171 -7.027 -1.887) 14.180 6.497 ( -1.882 -1.087 0.327) 2.198 7.437 ( -8.146 -4.703 -0.222) 9.409 9.335 ( 17.414 10.054 -3.964) 20.495 10.685 ( 4.730 2.731 0.304) 5.470 11.208 ( -9.137 -5.275 -0.372) 10.557 13.402 ( 13.494 7.791 0.219) 15.583 15.637 ( 3.806 2.197 -5.416) 6.975 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.000 24.472 7.103) 25.482 0.770 ( -0.000 14.897 25.485) 29.519 1.346 ( -0.000 52.794 15.879) 55.130 3.551 ( -0.000 2.875 -0.629) 2.943 3.613 ( 0.000 8.509 -3.462) 9.186 6.573 ( -0.000 -10.004 10.115) 14.227 7.304 ( -0.000 4.697 1.023) 4.807 9.375 ( 0.000 20.026 -32.037) 37.781 10.769 ( 0.000 -3.116 -0.561) 3.166 10.790 ( 0.000 10.915 -14.086) 17.820 13.668 ( -0.000 -7.935 3.280) 8.586 15.149 ( 0.000 32.223 -37.561) 49.489 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 15.658 11.686 20.431) 28.269 1.182 ( 22.971 20.549 6.039) 31.407 2.072 ( 19.234 49.977 9.277) 54.348 3.565 ( -0.784 4.836 -2.020) 5.299 3.782 ( 8.654 10.104 -1.762) 13.419 6.525 ( -1.010 -1.864 3.125) 3.776 7.413 ( 5.127 7.177 1.610) 8.966 9.372 ( -0.463 -11.165 -7.969) 13.725 10.676 ( -3.975 -3.694 -2.824) 6.117 10.877 ( 1.683 15.394 -19.543) 24.935 13.544 ( -5.144 -10.962 5.467) 13.286 15.333 ( 5.812 8.509 -24.542) 26.617 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 17.653 9.178 16.197) 25.655 1.803 ( 23.044 20.129 4.964) 30.998 2.962 ( 29.415 40.458 3.789) 50.164 3.613 ( 0.781 7.060 -2.369) 7.488 4.069 ( 13.332 11.221 -0.588) 17.436 6.506 ( -1.060 -0.151 -1.029) 1.485 7.617 ( 8.003 10.078 2.250) 13.065 9.154 ( -6.942 -13.539 1.087) 15.254 10.564 ( -2.874 -5.237 -2.485) 6.470 10.977 ( 2.709 9.762 -20.848) 23.179 13.338 ( -8.274 -12.722 9.593) 17.954 15.310 ( -3.234 -0.969 -17.952) 18.267 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 18.345 6.941 10.954) 22.465 2.370 ( 18.843 20.001 4.531) 27.850 3.634 ( 7.410 7.843 -5.567) 12.142 3.889 ( 23.058 30.648 3.801) 38.541 4.444 ( 18.139 12.387 0.231) 21.966 6.464 ( -2.669 -0.703 -3.642) 4.570 7.880 ( 8.617 12.449 2.755) 15.389 8.949 ( -4.596 -8.092 3.426) 9.917 10.471 ( -1.506 -3.618 -2.247) 4.517 10.967 ( -1.876 0.167 -20.505) 20.591 13.097 ( -10.061 -14.029 14.874) 22.788 15.118 ( -8.227 -3.383 -16.699) 18.920 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 16.804 4.038 6.385) 18.424 2.852 ( 14.115 18.949 3.239) 23.850 3.745 ( 2.376 7.108 -4.337) 8.659 4.510 ( 17.521 18.135 1.698) 25.273 4.953 ( 24.935 16.722 -0.630) 30.029 6.377 ( -4.467 -1.712 -4.101) 6.301 8.147 ( 6.229 13.578 3.050) 15.247 8.888 ( 1.850 -1.916 3.490) 4.390 10.443 ( 1.499 0.038 -2.014) 2.511 10.760 ( -9.393 -7.607 -20.583) 23.870 12.809 ( -14.395 -16.398 17.329) 27.863 14.909 ( -5.096 -1.985 -14.674) 15.660 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 13.753 0.877 1.972) 13.922 3.231 ( 8.986 16.952 1.650) 19.258 3.836 ( 1.145 8.197 -3.015) 8.809 4.891 ( 12.056 10.273 2.248) 15.998 5.504 ( 21.549 13.555 -5.313) 26.006 6.270 ( -4.494 -1.479 -0.694) 4.782 8.359 ( 1.540 13.808 2.961) 14.205 8.995 ( 8.871 2.624 1.993) 9.463 10.386 ( -14.147 -10.898 -17.105) 24.728 10.516 ( 4.870 3.975 -3.465) 7.177 12.391 ( -21.491 -18.508 13.931) 31.598 14.838 ( 2.875 -0.288 -9.100) 9.548 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 10.036 -2.060 -2.457) 10.536 3.494 ( 3.820 14.362 0.111) 14.862 3.920 ( -0.360 9.087 -1.085) 9.159 5.152 ( 8.338 6.348 2.913) 10.876 5.840 ( 10.262 4.802 -13.461) 17.594 6.242 ( 1.070 2.092 7.935) 8.276 8.489 ( -3.230 14.147 2.573) 14.737 9.232 ( 13.946 4.627 -0.686) 14.709 9.986 ( -12.928 -9.998 -13.133) 20.966 10.658 ( 5.845 6.641 -2.116) 9.097 11.855 ( -24.616 -17.791 8.950) 31.663 14.906 ( 7.497 -0.990 -3.871) 8.495 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 6.355 -4.574 -6.523) 10.191 3.642 ( -1.231 11.981 -1.242) 12.108 3.990 ( -2.090 9.272 1.111) 9.570 5.314 ( 4.163 2.893 3.075) 5.929 5.900 ( 2.601 0.553 -12.312) 12.596 6.365 ( 4.312 2.415 9.011) 10.278 8.552 ( -6.789 14.900 2.115) 16.509 9.509 ( 14.197 2.448 -4.656) 15.140 9.719 ( -5.057 -4.373 -4.637) 8.136 10.799 ( 3.233 6.983 -1.755) 7.893 11.332 ( -20.420 -14.055 5.391) 25.369 15.007 ( 7.165 -3.297 -1.259) 7.987 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 3.006 -6.767 -9.554) 12.087 3.679 ( -6.420 10.304 -2.419) 12.379 4.034 ( -3.773 8.399 2.971) 9.675 5.367 ( -0.316 -0.691 2.552) 2.662 5.915 ( 3.118 1.458 -8.974) 9.612 6.442 ( -0.151 -1.348 8.956) 9.058 8.567 ( -9.310 14.716 1.615) 17.488 9.675 ( 11.006 -2.516 -1.827) 11.437 9.697 ( -0.904 0.482 -0.893) 1.359 10.875 ( -2.619 6.613 -1.874) 7.356 11.015 ( -3.291 -5.982 1.969) 7.106 15.060 ( 4.469 -5.570 -0.034) 7.141 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -0.253 -8.876 -11.157) 14.259 3.607 ( -11.931 8.808 -3.511) 15.240 4.045 ( -5.236 6.903 4.113) 9.590 5.310 ( -4.613 -3.905 1.784) 6.302 5.965 ( 3.316 2.223 -8.295) 9.206 6.395 ( -5.515 -4.952 11.252) 13.474 8.538 ( -10.608 12.722 1.293) 16.614 9.520 ( -12.752 -7.533 -3.001) 15.112 9.953 ( 18.746 4.041 6.979) 20.408 10.811 ( -6.656 1.774 -0.800) 6.935 11.150 ( 15.070 6.258 -4.680) 16.975 15.058 ( 2.346 -6.296 1.563) 6.898 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -3.918 -10.949 -11.416) 16.296 3.421 ( -17.612 6.927 -4.569) 19.469 4.021 ( -6.410 5.192 4.469) 9.382 5.155 ( -8.510 -6.155 1.609) 10.625 5.914 ( -9.504 -3.716 -7.391) 12.600 6.319 ( -0.338 -2.542 11.628) 11.907 8.462 ( -11.788 9.311 1.094) 15.062 9.185 ( -14.822 -7.613 -3.632) 17.054 10.372 ( 20.024 3.028 7.300) 21.527 10.717 ( -5.212 3.527 2.524) 6.781 11.515 ( 21.180 8.401 -9.893) 24.840 15.052 ( 2.806 -4.514 4.174) 6.758 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -8.219 -12.623 -10.545) 18.387 3.117 ( -23.022 4.706 -5.490) 24.131 3.963 ( -7.180 3.391 4.156) 8.962 4.919 ( -12.434 -7.531 2.369) 14.729 5.513 ( -25.351 -11.187 -2.801) 27.851 6.405 ( 5.271 0.971 6.224) 8.214 8.320 ( -13.650 4.601 0.782) 14.426 8.896 ( -10.168 -3.846 -4.347) 11.708 10.498 ( -1.072 -3.131 -1.333) 3.567 10.929 ( 15.233 7.723 9.728) 19.655 11.928 ( 22.567 7.858 -10.897) 26.264 15.113 ( 5.639 -0.952 6.296) 8.506 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -12.846 -13.194 -8.461) 20.266 2.704 ( -27.636 2.693 -5.968) 28.401 3.878 ( -7.347 1.635 3.319) 8.226 4.589 ( -20.747 -9.734 5.560) 23.582 4.883 ( -30.959 -12.584 -3.978) 33.655 6.510 ( 3.478 0.626 3.285) 4.825 8.101 ( -15.219 0.461 0.440) 15.232 8.765 ( -1.315 0.808 -4.294) 4.562 10.462 ( 0.806 -1.150 -0.685) 1.562 11.230 ( 10.311 2.470 3.912) 11.301 12.355 ( 22.912 7.539 -6.341) 24.940 15.260 ( 8.131 1.814 5.417) 9.937 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -17.163 -11.764 -4.565) 21.303 2.207 ( -31.072 1.641 -5.540) 31.605 3.774 ( -7.145 -0.207 1.569) 7.318 3.918 ( -43.652 -15.166 6.459) 46.661 4.384 ( -17.691 -6.225 -3.207) 19.026 6.547 ( -0.009 -0.397 1.055) 1.127 7.836 ( -15.157 -1.496 0.281) 15.234 8.843 ( 8.993 4.279 -3.302) 10.493 10.502 ( 4.538 -0.177 -0.189) 4.545 11.346 ( 2.364 -1.023 -0.990) 2.760 12.792 ( 21.780 6.619 -0.946) 22.783 15.433 ( 8.022 2.116 1.091) 8.368 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -20.553 -6.885 2.361) 21.804 1.665 ( -33.090 2.406 -3.434) 33.355 2.976 ( -51.570 -13.230 4.959) 53.470 3.674 ( -5.526 -1.046 0.898) 5.696 4.052 ( -15.712 -2.950 -1.594) 16.066 6.524 ( -1.833 -0.589 0.108) 1.929 7.585 ( -12.727 -1.295 0.402) 12.799 9.103 ( 16.502 5.254 -2.271) 17.466 10.594 ( 6.338 -0.354 -0.200) 6.351 11.291 ( -5.377 -2.723 -5.409) 8.098 13.191 ( 18.527 4.296 2.219) 19.147 15.558 ( 5.493 0.920 -5.716) 7.981 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.000 26.796 2.845) 26.947 1.220 ( -0.000 14.650 19.129) 24.095 2.478 ( -0.000 53.352 9.485) 54.189 3.623 ( -0.000 4.837 -0.367) 4.851 3.812 ( -0.000 14.263 -3.132) 14.603 6.527 ( -0.000 -0.988 2.192) 2.405 7.451 ( -0.000 9.445 1.491) 9.562 9.220 ( 0.000 -13.635 -6.269) 15.007 10.679 ( 0.000 -5.414 -0.806) 5.474 10.944 ( 0.000 14.529 -20.857) 25.419 13.481 ( -0.000 -14.467 6.498) 15.859 15.293 ( 0.000 8.714 -21.803) 23.479 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 8.448 12.617 16.967) 22.769 1.635 ( 20.241 23.211 1.151) 30.819 3.099 ( 9.932 48.544 5.185) 49.820 3.679 ( 0.735 8.010 -0.210) 8.047 4.012 ( 6.997 14.724 -1.840) 16.405 6.522 ( -0.870 0.474 -0.214) 1.013 7.613 ( 5.921 11.882 2.150) 13.449 9.058 ( -0.462 -15.984 -1.442) 16.056 10.571 ( -4.670 -5.081 -2.329) 7.284 10.992 ( -0.248 9.393 -20.054) 22.146 13.324 ( -3.469 -16.659 9.301) 19.392 15.283 ( -0.841 2.231 -17.898) 18.057 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 13.102 8.159 13.404) 20.443 2.231 ( 22.552 21.732 0.646) 31.325 3.616 ( 5.137 18.536 -5.393) 19.976 3.947 ( 12.354 32.843 6.457) 35.679 4.304 ( 12.145 13.199 -0.965) 17.962 6.496 ( -2.475 0.409 -2.350) 3.438 7.883 ( 8.860 15.070 3.251) 17.781 8.904 ( -0.758 -11.971 1.120) 12.047 10.446 ( -2.565 -4.594 -3.906) 6.553 10.954 ( -3.096 1.840 -18.862) 19.202 13.118 ( -5.480 -18.206 13.326) 23.218 15.161 ( -6.449 -1.542 -16.192) 17.497 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 14.416 4.266 8.498) 17.270 2.791 ( 18.343 21.160 0.804) 28.015 3.770 ( 2.405 10.727 -6.028) 12.537 4.499 ( 9.934 24.764 5.264) 27.196 4.723 ( 21.921 18.692 -1.832) 28.867 6.429 ( -4.320 -0.260 -2.865) 5.190 8.204 ( 7.838 17.856 4.398) 19.991 8.832 ( 2.003 -5.011 1.312) 5.554 10.384 ( 1.965 -2.983 -5.403) 6.478 10.777 ( -8.374 -5.013 -17.713) 20.224 12.875 ( -7.944 -20.278 16.381) 27.252 14.954 ( -8.287 -1.903 -14.752) 17.027 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 13.399 0.395 3.516) 13.858 3.256 ( 12.031 20.903 0.584) 24.125 3.892 ( 1.914 11.216 -5.381) 12.587 4.843 ( 8.798 13.539 4.784) 16.840 5.272 ( 20.513 16.869 -5.166) 27.056 6.340 ( -4.839 0.162 -0.313) 4.852 8.502 ( 3.772 19.179 4.911) 20.154 8.885 ( 6.113 0.955 -0.360) 6.198 10.396 ( 1.012 -5.576 -16.222) 17.184 10.493 ( -7.481 -2.140 -5.554) 9.560 12.545 ( -13.923 -22.264 15.058) 30.270 14.789 ( -2.901 -1.445 -10.645) 11.128 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 11.021 -3.021 -1.384) 11.511 3.602 ( 5.012 20.364 0.269) 20.974 4.014 ( 1.076 11.908 -3.954) 12.593 5.107 ( 7.258 9.123 5.094) 12.722 5.650 ( 13.282 7.143 -11.215) 18.794 6.297 ( -1.994 2.574 5.678) 6.545 8.732 ( -1.767 21.153 4.318) 21.661 9.041 ( 10.849 2.412 -3.136) 11.548 10.071 ( -13.348 -8.566 -14.232) 21.310 10.595 ( 8.048 5.883 -2.654) 10.316 12.082 ( -20.219 -21.600 10.471) 31.384 14.758 ( 4.581 -3.114 -5.225) 7.614 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 8.046 -5.612 -5.727) 11.359 3.823 ( -1.542 19.282 -0.302) 19.346 4.127 ( -0.609 12.380 -1.604) 12.499 5.291 ( 4.140 4.984 4.400) 7.832 5.794 ( 5.794 1.397 -12.927) 14.235 6.363 ( 2.325 2.735 9.095) 9.778 8.886 ( -7.251 23.811 3.516) 25.138 9.256 ( 13.977 0.160 -6.992) 15.630 9.775 ( -8.729 -3.502 -6.000) 11.157 10.783 ( 6.636 7.370 -2.344) 10.191 11.557 ( -21.430 -17.978 6.359) 28.686 14.815 ( 8.231 -6.425 -1.823) 10.600 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 4.917 -7.338 -8.830) 12.490 3.928 ( -6.910 17.659 -1.399) 19.014 4.215 ( -3.493 12.492 1.224) 13.028 5.368 ( 0.543 0.133 2.342) 2.408 5.842 ( 3.736 1.884 -9.663) 10.530 6.446 ( 1.774 -1.046 9.134) 9.363 8.973 ( -12.943 25.471 2.695) 28.697 9.424 ( 12.325 -4.102 -6.502) 14.526 9.707 ( 0.626 2.797 -0.712) 2.953 10.919 ( 2.872 4.266 -0.970) 5.233 11.113 ( -14.841 -9.728 2.483) 17.918 14.875 ( 8.066 -9.401 -0.454) 12.395 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( 1.686 -8.428 -10.272) 13.394 3.924 ( -11.931 15.563 -2.704) 19.795 4.257 ( -6.632 11.879 3.427) 14.030 5.334 ( -2.584 -4.101 0.422) 4.865 5.901 ( 3.847 3.153 -7.468) 8.973 6.449 ( -2.126 -4.938 9.991) 11.346 8.954 ( -16.825 21.455 1.971) 27.337 9.571 ( 3.450 -5.162 -3.049) 6.917 9.753 ( 6.470 5.288 2.595) 8.750 10.899 ( -0.984 -4.722 0.845) 4.897 11.014 ( 2.395 6.106 -3.362) 7.371 14.900 ( 6.715 -10.416 0.500) 12.403 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -1.889 -9.026 -10.069) 13.654 3.806 ( -17.295 12.867 -3.767) 21.883 4.246 ( -9.088 10.207 4.200) 14.298 5.213 ( -5.406 -6.558 -0.137) 8.500 5.951 ( 0.154 2.210 -7.947) 8.250 6.362 ( -4.424 -6.703 11.793) 14.268 8.852 ( -17.773 16.021 2.138) 24.023 9.355 ( -14.022 -6.271 -3.011) 15.653 10.100 ( 19.282 7.426 4.696) 21.189 10.837 ( -5.063 0.347 1.509) 5.295 11.215 ( 17.143 3.801 -6.985) 18.897 14.919 ( 6.569 -8.556 2.013) 10.974 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -6.025 -8.872 -8.410) 13.628 3.563 ( -22.694 9.645 -4.408) 25.050 4.180 ( -10.429 7.401 3.599) 13.285 5.030 ( -8.480 -7.093 0.435) 11.064 5.786 ( -16.874 -4.675 -4.375) 18.048 6.343 ( 3.770 -2.221 7.819) 8.960 8.673 ( -18.713 8.699 1.815) 20.716 9.058 ( -13.923 -1.984 -2.921) 14.364 10.429 ( 8.217 2.874 -2.185) 8.975 10.827 ( 5.168 2.033 6.649) 8.663 11.569 ( 22.696 3.954 -7.327) 24.175 14.987 ( 8.196 -4.631 3.294) 9.974 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -10.596 -7.245 -5.281) 13.880 3.203 ( -27.348 6.484 -4.447) 28.456 4.067 ( -10.540 3.914 2.117) 11.441 4.793 ( -12.450 -6.235 1.717) 14.029 5.308 ( -30.046 -7.539 -1.526) 31.015 6.443 ( 5.788 -0.477 3.162) 6.613 8.417 ( -18.692 3.225 1.415) 19.021 8.847 ( -9.123 1.260 -2.795) 9.624 10.449 ( -1.197 -0.259 -2.732) 2.994 11.053 ( 13.276 0.859 1.239) 13.361 11.995 ( 24.642 4.621 -2.081) 25.158 15.124 ( 9.922 -1.346 2.404) 10.297 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -15.047 -3.218 -0.386) 15.392 2.748 ( -30.645 4.204 -3.490) 31.128 3.922 ( -9.625 0.551 -0.016) 9.641 4.460 ( -25.858 -6.673 4.701) 27.116 4.694 ( -29.717 -3.342 -2.535) 30.012 6.521 ( 3.021 -0.745 0.419) 3.140 8.125 ( -18.539 0.685 1.334) 18.599 8.779 ( 0.606 2.384 -1.907) 3.113 10.440 ( 1.690 -0.131 -1.307) 2.140 11.232 ( 8.622 -1.230 -5.105) 10.095 12.457 ( 24.212 4.131 3.432) 24.801 15.289 ( 9.898 -0.687 -1.344) 10.013 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -18.407 3.711 6.250) 19.790 2.244 ( -32.161 3.532 -0.875) 32.366 3.712 ( -29.829 -2.093 -3.699) 30.131 3.814 ( -24.734 -2.704 5.165) 25.412 4.323 ( -17.765 1.792 -0.562) 17.864 6.535 ( -0.018 -0.794 -1.042) 1.310 7.832 ( -16.568 0.067 1.281) 16.618 8.898 ( 10.622 2.052 -0.098) 10.819 10.492 ( 4.766 0.021 -0.935) 4.857 11.280 ( 1.476 -1.568 -9.328) 9.573 12.894 ( 21.601 1.864 6.398) 22.606 15.417 ( 8.154 -1.843 -6.731) 10.733 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -0.000 12.015 12.706) 17.487 1.678 ( -0.000 26.057 1.592) 26.106 3.523 ( -0.000 48.329 2.972) 48.420 3.729 ( -0.000 6.147 -0.229) 6.151 4.118 ( -0.000 18.626 -0.441) 18.632 6.539 ( 0.000 1.284 -0.504) 1.380 7.686 ( -0.000 13.081 2.194) 13.263 8.901 ( 0.000 -14.828 -0.742) 14.847 10.559 ( 0.000 -5.806 -1.282) 5.946 10.994 ( 0.000 5.219 -21.318) 21.948 13.211 ( -0.000 -19.302 10.648) 22.044 15.256 ( 0.000 2.238 -16.155) 16.309 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 5.261 9.249 11.046) 15.338 2.097 ( 17.300 23.548 0.048) 29.220 3.753 ( -2.282 12.485 -2.897) 13.019 4.084 ( 12.032 35.167 -0.269) 37.169 4.342 ( 2.639 21.232 3.327) 21.652 6.535 ( -1.763 1.388 -1.458) 2.676 7.896 ( 7.600 14.884 3.082) 16.994 8.780 ( 1.129 -11.306 0.513) 11.374 10.454 ( -4.609 -4.699 -3.233) 7.333 10.936 ( -1.236 -0.493 -19.830) 19.875 13.035 ( -2.252 -21.185 13.042) 24.979 15.187 ( -3.685 0.223 -14.711) 15.167 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 9.449 5.039 7.995) 13.365 2.652 ( 21.452 21.108 -0.242) 30.096 3.841 ( 0.425 11.935 -4.587) 12.793 4.552 ( 12.161 13.816 -2.436) 18.566 4.695 ( 7.731 34.400 4.538) 35.549 6.494 ( -3.754 1.148 -1.605) 4.242 8.235 ( 11.232 17.592 4.934) 21.447 8.735 ( 3.338 -5.331 0.206) 6.293 10.323 ( -2.728 -4.282 -7.189) 8.801 10.794 ( -5.084 -4.385 -16.325) 17.652 12.817 ( -4.101 -23.159 15.219) 28.013 15.031 ( -7.987 -0.910 -13.434) 15.656 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 10.692 0.994 3.834) 11.402 3.195 ( 18.906 19.701 0.213) 27.306 3.962 ( 1.373 13.257 -5.827) 14.545 4.842 ( 9.335 10.695 3.341) 14.584 5.166 ( 11.687 23.916 -3.253) 26.817 6.432 ( -4.704 2.023 0.474) 5.142 8.594 ( 7.827 15.102 6.385) 18.168 8.811 ( 6.774 5.695 -1.614) 8.996 10.239 ( 2.412 -5.926 -13.610) 15.039 10.587 ( -8.128 -2.824 -9.430) 12.766 12.543 ( -7.436 -25.137 15.143) 30.274 14.834 ( -8.023 -1.243 -10.735) 13.460 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 9.927 -2.406 -0.503) 10.227 3.659 ( 13.091 19.280 1.175) 23.334 4.097 ( 1.093 14.164 -6.441) 15.598 5.103 ( 7.905 9.123 6.116) 13.532 5.493 ( 9.484 10.743 -9.238) 17.050 6.397 ( -3.699 4.053 4.521) 7.109 8.826 ( 8.527 5.715 -0.122) 10.266 9.028 ( 1.760 18.589 1.794) 18.758 10.118 ( -4.728 -6.085 -16.677) 18.372 10.514 ( 3.670 3.585 -2.620) 5.761 12.174 ( -12.924 -25.241 12.072) 30.820 14.689 ( -2.804 -2.970 -6.369) 7.566 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 8.045 -4.767 -4.328) 10.304 4.012 ( 5.061 19.952 2.446) 20.729 4.225 ( 0.947 13.488 -6.079) 14.825 5.310 ( 3.685 7.186 6.599) 10.429 5.649 ( 7.403 2.225 -12.075) 14.337 6.415 ( -1.545 3.454 7.510) 8.410 9.016 ( 11.112 1.127 -7.993) 13.734 9.218 ( -2.453 21.566 5.088) 22.294 9.908 ( -10.473 1.740 -8.534) 13.621 10.693 ( 10.428 5.947 -3.367) 12.468 11.718 ( -17.142 -22.171 8.024) 29.151 14.634 ( 3.420 -6.780 -2.563) 8.014 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 5.622 -5.987 -7.005) 10.794 4.216 ( -4.873 20.290 -0.157) 20.867 4.360 ( 1.782 12.403 -1.085) 12.577 5.389 ( -1.475 1.887 2.657) 3.577 5.747 ( 6.555 2.476 -9.272) 11.622 6.446 ( 0.022 -1.021 8.561) 8.622 9.159 ( 11.290 -2.627 -9.137) 14.760 9.425 ( -4.352 26.502 5.311) 27.377 9.770 ( -7.125 5.811 -3.204) 9.736 10.881 ( 5.451 2.819 -1.640) 6.352 11.270 ( -15.107 -14.136 3.540) 20.990 14.636 ( 7.128 -10.672 -0.698) 12.852 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 2.868 -6.226 -8.112) 10.620 4.262 ( -9.863 17.061 -3.495) 20.014 4.490 ( -3.143 13.978 4.342) 14.970 5.336 ( -3.301 -3.902 -1.075) 5.223 5.846 ( 4.330 4.520 -6.906) 9.321 6.447 ( -0.096 -5.661 9.333) 10.916 9.291 ( 8.431 -1.759 -4.551) 9.741 9.540 ( -13.288 23.231 2.258) 26.858 9.796 ( 1.935 9.290 0.411) 9.499 10.827 ( -2.509 -10.951 3.046) 11.640 11.088 ( -3.034 3.600 -3.761) 6.026 14.655 ( 8.509 -12.293 0.024) 14.950 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -0.268 -5.646 -7.540) 9.423 4.195 ( -14.384 13.651 -4.293) 20.290 4.540 ( -9.308 13.614 5.671) 17.440 5.213 ( -3.571 -7.571 -2.140) 8.640 5.928 ( 2.737 4.754 -7.087) 8.962 6.392 ( -2.514 -8.232 10.300) 13.423 9.301 ( -12.547 10.019 1.847) 16.162 9.462 ( -7.208 -2.733 -4.051) 8.709 10.000 ( 5.797 18.266 4.328) 19.647 10.819 ( 8.134 -3.875 1.431) 9.122 11.051 ( -0.792 -0.117 -5.310) 5.370 14.692 ( 9.315 -10.493 0.674) 14.047 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -3.851 -4.131 -5.387) 7.805 4.007 ( -19.727 9.784 -4.192) 22.415 4.477 ( -13.364 9.381 3.713) 16.745 5.068 ( -4.321 -7.169 -0.699) 8.400 5.938 ( -5.179 2.219 -7.389) 9.292 6.306 ( -0.878 -6.867 9.948) 12.120 9.079 ( -20.484 3.854 1.020) 20.868 9.282 ( -11.658 1.386 -1.381) 11.821 10.321 ( 10.516 13.612 -1.566) 17.272 10.827 ( -3.633 -4.181 2.942) 6.271 11.199 ( 20.752 0.031 -3.672) 21.075 14.779 ( 10.508 -6.367 1.036) 12.330 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -7.714 -1.242 -1.799) 8.018 3.692 ( -24.748 5.624 -3.542) 25.625 4.312 ( -13.602 3.011 0.517) 13.941 4.918 ( -7.690 -3.674 1.359) 8.630 5.693 ( -21.042 -1.607 -2.844) 21.294 6.339 ( 5.875 -2.562 3.831) 7.466 8.763 ( -19.126 0.720 0.954) 19.163 9.071 ( -14.796 2.439 -1.012) 15.029 10.492 ( -2.203 6.307 -5.303) 8.530 10.821 ( 11.032 -5.206 -1.432) 12.283 11.614 ( 25.051 3.124 3.730) 25.519 14.924 ( 11.403 -2.875 -0.193) 11.762 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -11.389 3.421 2.967) 12.256 3.270 ( -28.186 2.303 -2.188) 28.365 4.098 ( -11.946 -1.523 -1.986) 12.205 4.732 ( -13.045 -0.928 2.142) 13.253 5.229 ( -31.384 0.820 -0.730) 31.403 6.432 ( 5.991 -1.758 -0.139) 6.245 8.454 ( -18.932 -0.390 1.933) 19.035 8.867 ( -9.257 1.193 -1.061) 9.394 10.451 ( -2.974 1.852 -1.793) 3.936 10.995 ( 13.988 -2.970 -9.589) 17.218 12.095 ( 25.124 2.948 9.053) 26.867 15.086 ( 10.936 -2.126 -3.680) 11.733 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -14.333 9.353 7.960) 18.875 2.791 ( -29.703 1.067 0.393) 29.725 3.880 ( -9.804 -2.862 -3.885) 10.927 4.420 ( -27.667 0.763 1.314) 27.709 4.733 ( -28.130 7.283 0.858) 29.071 6.490 ( 3.338 -1.695 -2.447) 4.473 8.133 ( -18.386 -1.180 2.002) 18.532 8.811 ( 1.234 1.132 1.051) 1.977 10.443 ( 0.945 1.160 -1.020) 1.810 11.133 ( 9.500 -1.960 -13.117) 16.314 12.560 ( 23.072 0.575 11.822) 25.931 15.210 ( 9.410 -3.551 -8.523) 13.183 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.000 7.896 6.501) 10.228 2.177 ( -0.000 23.939 1.296) 23.974 3.853 ( -0.000 6.630 -0.211) 6.634 4.277 ( -0.000 27.769 -7.769) 28.835 4.608 ( -0.000 31.321 6.820) 32.055 6.563 ( 0.000 1.837 -1.191) 2.189 7.973 ( -0.000 14.067 2.936) 14.370 8.680 ( 0.000 -7.318 1.252) 7.424 10.451 ( 0.000 -3.689 -1.911) 4.154 10.843 ( 0.000 -4.576 -21.567) 22.047 12.884 ( -0.000 -23.249 13.722) 26.997 15.176 ( 0.000 0.654 -13.093) 13.109 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 3.939 4.873 4.633) 7.793 2.539 ( 14.668 21.428 0.489) 25.972 3.924 ( 0.799 8.405 -1.425) 8.563 4.531 ( 6.098 17.836 -5.728) 19.701 4.959 ( 2.148 31.646 3.950) 31.964 6.559 ( -2.277 2.156 -0.835) 3.245 8.213 ( 10.545 14.556 3.911) 18.395 8.651 ( 1.666 -2.178 1.098) 2.954 10.349 ( -6.553 -2.986 -5.633) 9.143 10.721 ( 0.593 -6.473 -17.754) 18.907 12.683 ( -1.833 -25.074 14.465) 29.006 15.096 ( -4.960 0.245 -11.630) 12.646 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.913 1.275 2.456) 7.447 3.038 ( 20.196 18.315 0.165) 27.264 4.041 ( 2.520 11.455 -3.292) 12.182 4.781 ( 8.476 11.111 -1.711) 14.079 5.290 ( 3.134 24.325 -0.589) 24.533 6.534 ( -3.596 3.557 0.784) 5.119 8.597 ( 11.104 13.392 6.180) 18.462 8.721 ( 8.937 5.644 -1.467) 10.671 10.161 ( -5.898 -5.638 -12.078) 14.576 10.614 ( -1.949 -2.719 -10.592) 11.107 12.434 ( -3.956 -26.719 14.274) 30.550 14.938 ( -8.794 -0.238 -9.595) 13.018 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 7.868 -1.738 -0.321) 8.064 3.545 ( 19.594 15.496 0.631) 24.989 4.199 ( 2.370 14.951 -4.963) 15.931 5.025 ( 10.504 6.316 1.988) 12.417 5.508 ( 1.400 13.954 -4.754) 14.808 6.523 ( -3.731 5.555 3.354) 7.485 8.757 ( 4.003 5.388 -2.350) 7.112 9.118 ( 13.198 17.885 5.252) 22.840 10.000 ( 1.067 -6.126 -14.961) 16.202 10.540 ( -2.727 2.771 -5.670) 6.875 12.126 ( -7.193 -27.319 12.493) 30.889 14.748 ( -8.861 -1.456 -6.528) 11.102 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 7.287 -3.628 -2.938) 8.654 3.988 ( 16.001 12.826 1.728) 20.580 4.362 ( -0.061 17.710 -5.775) 18.628 5.274 ( 11.339 4.066 4.782) 12.961 5.580 ( -0.750 5.437 -7.638) 9.405 6.528 ( -4.010 4.858 5.134) 8.126 8.864 ( 5.521 3.382 -8.126) 10.391 9.416 ( 1.731 13.970 6.109) 15.345 10.011 ( 3.455 6.377 -9.688) 12.102 10.572 ( 5.447 4.973 -4.585) 8.685 11.752 ( -10.978 -25.656 9.623) 29.519 14.581 ( -5.140 -4.449 -3.248) 7.534 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 5.803 -4.282 -4.767) 8.645 4.342 ( 11.584 10.415 2.520) 15.780 4.489 ( -3.683 18.381 -4.624) 19.308 5.469 ( -0.457 4.202 6.020) 7.355 5.596 ( 7.836 0.931 -9.814) 12.593 6.504 ( -4.385 0.440 6.057) 7.490 8.950 ( 7.226 -0.238 -9.845) 12.214 9.595 ( 4.368 12.327 4.531) 13.840 10.063 ( -9.436 17.171 -2.360) 19.735 10.766 ( 10.865 4.243 -4.670) 12.565 11.350 ( -12.044 -20.469 6.319) 24.576 14.469 ( 0.135 -8.467 -1.046) 8.533 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.806 -3.843 -5.400) 7.643 4.534 ( -4.365 13.529 -7.297) 15.980 4.622 ( 3.767 12.296 7.833) 15.058 5.394 ( -7.384 -1.252 -1.532) 7.644 5.771 ( 8.561 5.012 -5.101) 11.155 6.438 ( -3.014 -5.477 7.332) 9.635 9.062 ( 10.776 -1.113 -6.519) 12.644 9.828 ( 5.548 10.767 -0.502) 12.123 10.031 ( -13.607 20.651 3.691) 25.005 10.810 ( -5.456 -9.311 1.562) 10.904 11.117 ( -0.239 -2.338 -2.035) 3.109 14.416 ( 5.090 -10.812 -0.139) 11.951 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 1.420 -2.479 -4.642) 5.451 4.507 ( -10.165 11.222 -5.647) 16.160 4.801 ( -0.764 11.835 8.491) 14.586 5.214 ( -8.190 -6.321 -3.594) 10.952 5.911 ( 3.526 6.994 -6.888) 10.431 6.361 ( -0.781 -9.559 8.875) 13.067 9.233 ( 11.594 -0.671 -3.396) 12.099 9.760 ( -17.413 5.278 -3.019) 18.444 10.217 ( 1.704 22.521 7.764) 23.883 10.639 ( 1.318 -9.328 0.701) 9.447 11.088 ( -3.610 -0.866 -4.278) 5.665 14.435 ( 8.929 -9.252 0.131) 12.859 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -1.326 -0.219 -2.500) 2.839 4.367 ( -14.928 6.837 -4.453) 17.012 4.825 ( -14.937 8.989 4.250) 17.944 5.032 ( -0.325 -7.574 -0.584) 7.603 5.983 ( 0.308 6.686 -8.643) 10.932 6.285 ( -1.046 -9.632 9.577) 13.623 9.360 ( 2.856 -0.164 -3.067) 4.194 9.448 ( -20.477 1.379 -0.114) 20.524 10.392 ( -2.394 13.295 -0.091) 13.510 10.785 ( 16.230 -1.133 5.170) 17.071 10.949 ( -4.274 -3.964 -4.119) 7.138 14.538 ( 11.177 -4.810 -0.039) 12.168 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -4.272 3.046 0.792) 5.306 4.100 ( -20.256 1.985 -3.169) 20.599 4.566 ( -15.794 -2.934 -2.250) 16.221 5.004 ( -3.488 1.343 4.091) 5.541 5.948 ( -9.528 4.415 -6.950) 12.592 6.239 ( 2.825 -5.949 6.393) 9.179 9.095 ( -20.070 0.408 -0.535) 20.081 9.303 ( -9.888 -0.658 -1.015) 9.962 10.496 ( 9.376 0.909 -9.294) 13.233 10.706 ( -9.244 -3.180 -0.282) 9.779 11.252 ( 23.948 3.717 8.688) 25.745 14.704 ( 11.572 -0.926 -1.328) 11.685 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -7.086 7.276 4.678) 11.182 3.711 ( -24.331 -1.912 -1.661) 24.463 4.267 ( -13.108 -5.630 -3.633) 14.722 4.935 ( -8.975 2.975 3.120) 9.957 5.702 ( -21.650 4.637 -2.554) 22.288 6.298 ( 6.647 -3.114 0.427) 7.353 8.768 ( -19.048 -1.465 1.452) 19.159 9.068 ( -13.649 -1.360 -1.438) 13.792 10.552 ( -4.635 -3.035 0.798) 5.598 10.658 ( 13.400 -0.294 -14.678) 19.877 11.736 ( 25.034 2.164 12.658) 28.135 14.878 ( 10.163 0.140 -4.294) 11.034 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -9.633 11.709 8.006) 17.146 3.256 ( -26.015 -2.763 0.537) 26.167 3.999 ( -10.570 -5.230 -4.287) 12.548 4.777 ( -14.750 3.817 0.989) 15.268 5.328 ( -28.870 9.103 -0.325) 30.273 6.376 ( 6.076 -2.744 -2.810) 7.235 8.425 ( -18.294 -4.402 2.110) 18.934 8.885 ( -7.388 1.808 0.735) 7.642 10.479 ( -3.330 1.302 0.162) 3.579 10.833 ( 15.534 -3.731 -16.762) 23.155 12.210 ( 24.257 -0.993 15.166) 28.625 15.003 ( 7.782 -1.344 -8.576) 11.658 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -0.000 3.106 1.374) 3.397 2.620 ( -0.000 20.409 1.294) 20.450 3.979 ( -0.000 6.298 -0.287) 6.305 4.637 ( -0.000 16.983 -5.672) 17.905 5.241 ( -0.000 26.966 1.447) 27.005 6.601 ( -0.000 3.010 -0.443) 3.042 8.250 ( -0.000 11.485 3.320) 11.955 8.649 ( -0.000 3.045 1.863) 3.570 10.404 ( 0.000 0.598 -2.350) 2.425 10.546 ( 0.000 -9.677 -20.112) 22.319 12.497 ( -0.000 -26.454 13.839) 29.855 15.107 ( 0.000 0.790 -9.885) 9.917 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 3.199 0.554 0.120) 3.249 2.925 ( 12.785 17.445 0.889) 21.647 4.069 ( 3.529 7.270 -0.983) 8.141 4.795 ( 2.917 12.875 -3.635) 13.693 5.477 ( 0.549 19.853 -1.151) 19.894 6.620 ( -1.701 4.485 0.285) 4.805 8.490 ( 14.315 10.460 3.712) 18.114 8.711 ( 0.375 7.290 0.787) 7.342 10.219 ( -10.761 -5.397 -11.858) 16.898 10.526 ( 5.290 -1.349 -8.742) 10.307 12.267 ( -1.877 -27.354 12.898) 30.300 15.036 ( -5.590 0.744 -8.021) 9.805 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 5.460 -1.661 -0.767) 5.759 3.355 ( 18.782 13.697 0.653) 23.256 4.236 ( 6.668 10.440 -2.353) 12.609 4.953 ( 5.169 7.461 -0.971) 9.128 5.625 ( -0.790 12.061 -2.956) 12.443 6.641 ( -2.271 5.985 1.420) 6.557 8.791 ( -0.220 9.401 -1.349) 9.499 8.943 ( 23.781 10.702 3.622) 26.328 9.954 ( -7.746 -5.769 -11.846) 15.285 10.567 ( 1.270 3.621 -5.829) 6.979 11.993 ( -4.113 -27.442 11.365) 29.986 14.884 ( -9.718 0.122 -5.736) 11.285 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 6.224 -2.825 -1.722) 7.049 3.797 ( 19.142 9.871 0.883) 21.555 4.465 ( 6.284 15.114 -3.755) 16.793 5.115 ( 9.116 1.750 1.394) 9.387 5.667 ( -3.214 6.185 -3.309) 7.716 6.660 ( -3.429 5.446 2.273) 6.825 8.852 ( -0.968 7.337 -6.181) 9.643 9.440 ( 15.355 9.734 6.490) 19.304 9.850 ( 8.412 0.827 -10.281) 13.310 10.600 ( -1.063 6.857 -4.502) 8.271 11.676 ( -6.766 -26.281 9.379) 28.713 14.684 ( -10.890 -1.516 -3.276) 11.473 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.763 -2.829 -2.440) 6.868 4.184 ( 16.684 6.758 1.090) 18.034 4.679 ( 0.952 17.148 -3.389) 17.505 5.322 ( 14.751 -1.097 1.228) 14.843 5.624 ( -5.551 2.802 -2.233) 6.607 6.630 ( -6.093 2.422 2.681) 7.084 8.863 ( 0.296 2.937 -8.017) 8.543 9.634 ( 3.462 6.897 3.490) 8.470 10.193 ( 16.233 13.270 -3.094) 21.194 10.648 ( 2.255 6.375 -4.791) 8.287 11.330 ( -8.672 -23.371 7.479) 26.026 14.478 ( -8.809 -4.162 -1.324) 9.832 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 4.580 -1.853 -2.586) 5.577 4.496 ( 12.889 5.324 -0.183) 13.946 4.792 ( -3.671 12.438 0.347) 12.973 5.514 ( -5.152 0.388 -6.223) 8.088 5.597 ( 13.197 1.881 3.482) 13.777 6.518 ( -8.306 -2.105 3.008) 9.082 8.900 ( 5.272 1.191 -5.387) 7.631 9.813 ( 7.494 9.078 0.813) 11.799 10.393 ( -8.021 12.663 2.199) 15.151 10.786 ( 5.469 1.719 -5.426) 7.894 11.042 ( -1.389 -13.872 4.537) 14.661 14.314 ( -3.712 -6.170 -0.289) 7.207 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 3.026 -0.070 -1.890) 3.569 4.682 ( 0.813 6.796 -6.791) 9.642 4.843 ( 1.796 2.724 8.474) 9.081 5.357 ( -10.892 -0.230 -2.388) 11.153 5.851 ( 10.617 5.582 -2.928) 12.347 6.352 ( -6.798 -6.851 4.077) 10.477 9.031 ( 10.132 1.349 -2.619) 10.552 10.014 ( -0.580 10.937 -4.674) 11.908 10.292 ( -3.807 -3.362 8.070) 9.535 10.693 ( -8.592 -0.159 -0.145) 8.594 11.082 ( 3.732 0.279 -2.258) 4.370 14.253 ( 3.360 -4.832 -0.006) 5.885 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 1.224 2.427 -0.235) 2.728 4.610 ( -10.181 2.720 -4.765) 11.565 4.933 ( 3.564 -7.142 2.486) 8.360 5.149 ( -13.139 4.655 2.460) 14.155 6.018 ( 2.461 9.184 -7.544) 12.138 6.218 ( -0.716 -10.213 6.934) 12.365 9.221 ( 10.573 1.520 -2.432) 10.955 9.813 ( -21.047 1.971 -1.818) 21.217 10.432 ( 11.585 -10.807 -0.814) 15.864 10.582 ( -1.276 5.323 4.978) 7.399 11.061 ( -6.232 3.114 -1.306) 7.089 14.336 ( 8.998 -0.172 -0.223) 9.002 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -0.766 5.539 2.209) 6.012 4.383 ( -15.045 -2.917 -2.800) 15.579 4.723 ( -11.633 -11.495 -4.404) 16.937 5.122 ( -3.771 6.673 6.939) 10.339 6.066 ( -2.039 8.478 -10.816) 13.893 6.171 ( 1.028 -7.913 8.925) 11.972 9.348 ( 2.156 1.549 -3.928) 4.741 9.454 ( -21.222 -0.826 0.173) 21.238 10.291 ( 0.347 -16.367 -7.303) 17.926 10.807 ( 6.518 -0.526 3.968) 7.649 11.037 ( 3.918 8.425 5.005) 10.554 14.526 ( 10.544 4.133 -1.103) 11.379 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -2.810 9.009 4.898) 10.632 4.031 ( -19.401 -7.134 -1.589) 20.732 4.395 ( -12.359 -9.726 -4.007) 16.230 5.116 ( -6.318 4.904 4.134) 9.003 6.019 ( -10.648 7.847 -7.312) 15.114 6.168 ( 4.357 -5.069 4.312) 7.955 9.077 ( -20.422 -5.914 1.092) 21.289 9.263 ( -10.776 1.499 -3.477) 11.422 10.222 ( 13.414 -14.020 -9.380) 21.552 10.766 ( -8.144 4.629 -1.811) 9.541 11.387 ( 22.449 0.592 11.378) 25.175 14.734 ( 8.622 5.598 -3.007) 10.711 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -4.952 12.112 6.833) 14.762 3.609 ( -21.273 -7.080 0.005) 22.421 4.101 ( -10.638 -7.681 -3.883) 13.684 5.033 ( -10.230 4.755 1.551) 11.387 5.823 ( -19.476 9.079 -3.121) 21.714 6.229 ( 6.370 -3.484 -1.009) 7.331 8.669 ( -17.956 -10.088 1.462) 20.648 9.083 ( -11.900 5.089 -0.573) 12.955 10.354 ( 17.256 -8.230 -10.182) 21.660 10.665 ( -6.334 3.134 -5.170) 8.756 11.819 ( 25.179 -4.300 13.563) 28.921 14.883 ( 4.923 4.285 -5.951) 8.832 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.000 -0.880 -1.130) 1.432 2.979 ( -0.000 15.438 1.247) 15.488 4.090 ( -0.000 5.263 -0.461) 5.284 4.884 ( -0.000 11.620 -3.127) 12.033 5.634 ( -0.000 14.139 -2.148) 14.302 6.680 ( -0.000 5.075 -0.437) 5.094 8.451 ( -0.000 6.707 2.841) 7.284 8.809 ( -0.000 11.594 1.250) 11.661 10.224 ( 0.000 -9.508 -15.734) 18.383 10.442 ( 0.000 4.737 -2.066) 5.168 12.060 ( -0.000 -27.120 11.228) 29.352 15.069 ( 0.000 1.175 -6.329) 6.437 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 2.875 -2.075 -0.847) 3.646 3.221 ( 11.447 12.057 1.031) 16.658 4.189 ( 6.128 5.655 -0.934) 8.391 4.982 ( 0.894 8.284 -1.561) 8.477 5.732 ( -0.796 8.798 -2.614) 9.213 6.722 ( -0.689 5.308 -0.638) 5.391 8.662 ( 16.988 5.182 2.316) 17.911 8.924 ( -1.814 13.588 -0.208) 13.710 10.003 ( -8.134 -6.752 -10.898) 15.183 10.537 ( 4.401 5.022 -3.061) 7.345 11.821 ( -2.070 -25.861 9.328) 27.570 15.009 ( -6.054 1.033 -4.484) 7.604 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.829 -2.368 -0.223) 5.383 3.574 ( 17.377 8.152 0.979) 19.219 4.403 ( 11.915 7.941 -1.911) 14.446 5.059 ( 1.575 3.800 0.315) 4.126 5.760 ( -2.524 4.851 -2.346) 5.950 6.753 ( -1.386 4.553 -0.354) 4.772 8.986 ( -5.319 11.640 -3.202) 13.193 9.112 ( 28.237 4.673 2.104) 28.698 9.806 ( -4.466 -2.259 -6.593) 8.278 10.643 ( 2.604 6.185 -2.592) 7.194 11.555 ( -4.499 -23.538 7.293) 25.049 14.859 ( -10.827 0.325 -2.619) 11.144 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 5.457 -1.733 0.122) 5.726 3.944 ( 18.284 4.638 1.216) 18.902 4.711 ( 12.847 12.005 -3.189) 17.870 5.119 ( 4.886 -2.309 1.917) 5.734 5.729 ( -4.425 2.357 -1.318) 5.184 6.747 ( -3.849 2.664 -0.072) 4.682 8.946 ( -7.141 6.203 -4.488) 10.469 9.586 ( 14.626 2.194 3.868) 15.287 9.879 ( 19.683 6.811 -6.137) 21.714 10.720 ( -0.302 6.632 -1.375) 6.780 11.266 ( -6.968 -20.181 5.390) 22.020 14.645 ( -13.104 -0.846 -1.104) 13.177 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 5.106 -0.421 0.250) 5.130 4.278 ( 16.717 2.128 1.250) 16.898 4.944 ( -0.605 10.656 -0.993) 10.719 5.264 ( 17.914 -4.176 -1.389) 18.446 5.656 ( -5.638 0.900 1.222) 5.839 6.661 ( -8.086 0.051 -0.336) 8.093 8.887 ( -2.739 3.450 -1.819) 4.765 9.756 ( 7.002 2.971 1.185) 7.698 10.394 ( 25.662 9.761 -4.590) 27.837 10.729 ( -4.649 1.973 -0.304) 5.060 10.989 ( -6.449 -13.845 4.332) 15.876 14.414 ( -11.769 -1.565 -0.230) 11.875 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 4.341 1.434 0.529) 4.602 4.548 ( 13.330 0.051 -0.065) 13.330 4.935 ( -5.205 0.476 2.955) 6.004 5.464 ( 0.788 0.146 -8.531) 8.569 5.663 ( 10.523 1.111 6.843) 12.601 6.480 ( -11.225 -2.020 -1.238) 11.472 8.929 ( 3.920 3.408 1.188) 5.329 9.925 ( 10.890 -0.030 0.066) 10.890 10.496 ( -16.539 -1.411 0.306) 16.602 10.773 ( 1.940 0.874 -5.760) 6.141 10.933 ( 11.390 -0.820 4.774) 12.377 14.251 ( -5.668 0.142 0.053) 5.670 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 3.451 3.797 1.288) 5.290 4.683 ( 2.497 -2.774 -4.960) 6.207 4.841 ( -2.328 -7.409 6.334) 10.022 5.358 ( -7.926 1.284 -1.904) 8.252 5.922 ( 12.927 0.873 3.392) 13.393 6.269 ( -10.018 -0.946 -3.311) 10.593 9.077 ( 8.199 3.732 1.519) 9.136 10.101 ( 13.567 -10.822 1.148) 17.392 10.166 ( -19.505 -0.188 -1.643) 19.575 10.676 ( -6.694 -1.523 -1.344) 6.996 11.121 ( 4.303 2.836 1.237) 5.300 14.253 ( 3.154 4.862 -0.032) 5.795 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 2.410 6.528 2.545) 7.410 4.529 ( -9.781 -8.430 -2.834) 13.220 4.724 ( -4.556 -12.372 0.008) 13.184 5.274 ( -4.730 3.995 2.876) 6.827 6.076 ( 3.781 -7.959 8.038) 11.927 6.158 ( -2.056 9.559 -9.556) 13.672 9.261 ( 8.054 3.988 -0.833) 9.026 9.795 ( -20.623 -4.193 0.008) 21.045 10.091 ( 1.329 -20.732 -3.739) 21.109 10.660 ( 6.280 3.268 2.705) 7.578 11.150 ( -3.172 2.593 1.536) 4.376 14.428 ( 8.382 9.308 -0.414) 12.533 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 1.114 9.282 3.918) 10.137 4.213 ( -14.164 -12.224 -1.533) 18.773 4.465 ( -9.868 -12.045 -2.245) 15.732 5.261 ( -3.861 3.930 3.070) 6.307 6.060 ( 2.109 -2.915 -0.998) 3.734 6.202 ( -2.893 6.096 -1.461) 6.904 9.291 ( -13.863 -10.473 0.854) 17.395 9.453 ( -7.832 4.304 -4.801) 10.145 9.893 ( 3.383 -15.129 -4.795) 16.228 10.846 ( 5.390 1.917 2.796) 6.367 11.149 ( 5.302 -1.152 4.019) 6.752 14.670 ( 7.911 10.776 -1.260) 13.428 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -0.616 11.361 4.649) 12.291 3.833 ( -16.054 -11.056 -0.567) 19.501 4.178 ( -9.953 -9.892 -2.505) 14.254 5.222 ( -6.389 3.824 1.572) 7.610 6.076 ( 1.137 1.817 -11.056) 11.261 6.163 ( -6.551 2.696 7.493) 10.312 8.838 ( -17.333 -16.716 0.854) 24.095 9.363 ( -12.369 9.239 -2.496) 15.639 9.939 ( 15.784 -7.790 -8.871) 19.711 10.815 ( -7.893 1.434 -0.847) 8.067 11.394 ( 22.207 -7.051 8.705) 24.872 14.866 ( 3.928 9.319 -2.720) 10.472 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 -2.308 0.365) 2.337 3.231 ( -0.000 9.410 1.095) 9.474 4.173 ( -0.000 3.611 -0.773) 3.693 5.048 ( -0.000 6.710 -0.688) 6.745 5.801 ( 0.000 5.791 -2.417) 6.275 6.769 ( 0.000 4.315 -1.697) 4.636 8.554 ( -0.000 2.623 1.436) 2.990 9.090 ( -0.000 16.028 0.153) 16.029 9.968 ( 0.000 -7.761 -9.312) 12.122 10.539 ( -0.000 5.565 -0.933) 5.643 11.631 ( 0.000 -22.677 6.921) 23.710 15.061 ( 0.000 1.239 -3.032) 3.275 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 2.724 -1.843 2.210) 3.963 3.404 ( 10.627 5.952 1.053) 12.226 4.270 ( 8.180 3.286 -1.187) 8.895 5.098 ( -0.417 4.021 0.667) 4.097 5.826 ( -1.375 3.414 -2.058) 4.217 6.798 ( -0.177 3.243 -1.646) 3.641 8.735 ( 18.239 1.579 0.520) 18.314 9.205 ( -5.153 14.783 -0.918) 15.682 9.827 ( -3.819 -5.566 -5.065) 8.439 10.626 ( 4.015 4.459 -0.533) 6.024 11.431 ( -2.514 -18.055 4.372) 18.746 15.009 ( -6.442 0.977 -1.576) 6.704 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 4.427 -0.799 3.342) 5.604 3.685 ( 16.592 2.524 1.367) 16.839 4.503 ( 16.045 3.430 -1.995) 16.528 5.113 ( -1.348 0.995 2.007) 2.614 5.807 ( -3.033 1.708 -1.384) 3.746 6.808 ( -1.296 1.787 -1.348) 2.586 9.152 ( 10.670 3.728 -1.440) 11.394 9.182 ( 7.728 4.521 0.185) 8.956 9.768 ( 2.140 0.949 -2.093) 3.140 10.734 ( 3.889 3.192 0.571) 5.064 11.227 ( -5.585 -12.054 1.699) 13.393 14.857 ( -11.689 0.532 -0.399) 11.708 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 5.011 0.495 3.339) 6.042 3.998 ( 17.991 -0.227 1.945) 18.097 4.844 ( 21.312 2.231 -3.206) 21.667 5.083 ( -2.834 -1.609 2.957) 4.400 5.751 ( -4.453 0.667 -0.010) 4.503 6.764 ( -4.557 -0.227 -1.791) 4.902 9.033 ( -9.505 3.582 2.217) 10.396 9.593 ( 16.486 -2.569 -0.677) 16.699 9.969 ( 22.909 3.810 -1.935) 23.304 10.804 ( 0.543 1.185 2.328) 2.668 11.027 ( -8.287 -4.177 -1.222) 9.360 14.638 ( -14.225 0.556 0.283) 14.238 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.077 2.024 2.721) 6.106 4.286 ( 16.450 -2.599 2.110) 16.787 4.995 ( -2.565 -8.445 4.220) 9.783 5.212 ( 18.614 3.488 -6.661) 20.075 5.685 ( -3.910 0.465 3.738) 5.429 6.630 ( -8.884 -1.933 -3.233) 9.649 8.974 ( -2.975 3.599 6.063) 7.653 9.727 ( 8.385 -5.958 -1.414) 10.383 10.432 ( 23.980 -6.094 -0.663) 24.751 10.768 ( -5.552 6.159 0.433) 8.304 10.901 ( -4.908 1.961 -1.403) 5.468 14.422 ( -12.067 2.371 0.506) 12.308 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 5.094 3.946 2.177) 6.801 4.494 ( 11.543 -5.969 0.726) 13.016 4.853 ( -4.661 -11.163 4.999) 13.089 5.397 ( 3.191 -0.572 -9.620) 10.152 5.740 ( 8.535 0.879 9.400) 12.728 6.428 ( -10.435 -1.027 -5.384) 11.787 9.042 ( 2.972 4.600 7.420) 9.223 9.789 ( 9.934 -11.946 -1.033) 15.571 10.383 ( -10.293 -11.210 1.122) 15.260 10.818 ( -8.537 7.413 -5.114) 12.408 10.982 ( 13.649 3.642 1.570) 14.213 14.323 ( -4.244 6.743 0.478) 7.982 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 5.029 6.207 2.010) 8.238 4.508 ( -0.574 -12.192 -2.108) 12.387 4.677 ( -3.800 -12.864 5.041) 14.330 5.353 ( -2.078 0.022 -4.065) 4.565 5.939 ( 8.818 -2.829 9.728) 13.431 6.266 ( -5.972 3.889 -8.644) 11.203 9.194 ( 5.948 5.542 5.273) 9.690 9.803 ( 7.956 -18.564 -1.517) 20.254 10.030 ( -16.580 -13.029 2.329) 21.215 10.741 ( -6.836 9.840 -4.279) 12.722 11.154 ( 3.931 -0.251 1.070) 4.082 14.420 ( 4.513 11.279 0.307) 12.152 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 4.563 8.431 2.021) 9.797 4.265 ( -8.998 -16.053 -0.854) 18.423 4.478 ( -6.620 -13.291 0.751) 14.867 5.332 ( -0.723 1.182 -0.405) 1.443 6.008 ( 1.325 -3.379 5.249) 6.382 6.262 ( 0.933 5.828 -5.453) 8.036 9.369 ( 4.120 6.676 2.086) 8.118 9.477 ( -13.215 -26.624 -2.111) 29.798 9.811 ( -2.278 -6.070 0.629) 6.514 10.783 ( 2.299 8.136 -0.804) 8.492 11.140 ( -2.435 -4.095 0.851) 4.840 14.653 ( 7.724 12.815 -0.042) 14.963 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 3.315 9.875 1.660) 10.548 3.936 ( -11.183 -14.156 -0.385) 18.045 4.222 ( -8.382 -11.823 -0.798) 14.514 5.326 ( -2.115 1.633 0.681) 2.757 6.013 ( 1.400 -0.820 -1.881) 2.484 6.301 ( -1.832 4.089 0.458) 4.504 8.938 ( -16.477 -22.499 0.493) 27.892 9.548 ( 4.138 8.104 -4.533) 10.166 9.722 ( -2.115 -2.385 -0.609) 3.245 10.909 ( 0.363 2.630 1.265) 2.941 11.070 ( 6.482 -7.741 1.967) 10.287 14.887 ( 5.320 11.141 -0.671) 12.364 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -0.000 -0.936 5.206) 5.290 3.358 ( -0.000 2.936 0.958) 3.088 4.215 ( 0.000 1.448 -1.215) 1.891 5.138 ( -0.000 2.311 1.736) 2.891 5.858 ( 0.000 2.058 -1.829) 2.754 6.818 ( 0.000 2.088 -1.636) 2.653 8.584 ( 0.000 0.271 -0.382) 0.468 9.401 ( -0.000 14.044 0.262) 14.046 9.778 ( 0.000 -6.994 -2.877) 7.563 10.621 ( -0.000 2.590 0.577) 2.654 11.321 ( 0.000 -10.950 1.329) 11.031 15.071 ( 0.000 0.972 -0.439) 1.067 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 2.366 0.111 7.107) 7.491 3.466 ( 10.480 -0.312 1.175) 10.550 4.296 ( 9.017 0.358 -1.591) 9.163 5.150 ( -0.998 0.151 2.848) 3.022 5.853 ( -1.497 0.857 -1.412) 2.230 6.826 ( -0.268 0.694 -1.384) 1.571 8.740 ( 18.493 -0.544 -1.362) 18.551 9.408 ( -8.868 1.672 1.491) 9.147 9.745 ( 0.686 2.356 -0.253) 2.466 10.680 ( 4.249 0.475 1.501) 4.531 11.228 ( -2.994 -2.869 -1.711) 4.486 15.022 ( -6.663 0.798 0.511) 6.730 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.811 0.917 6.812) 7.859 3.692 ( 16.836 -3.055 2.038) 17.232 4.502 ( 16.451 -1.954 -2.053) 16.693 5.129 ( -2.008 -1.398 3.369) 4.164 5.816 ( -2.861 -0.018 -0.471) 2.899 6.802 ( -1.914 -1.411 -2.026) 3.124 9.136 ( 28.289 -2.149 -2.898) 28.518 9.232 ( -9.636 -3.836 4.990) 11.509 9.806 ( 2.552 3.926 1.353) 4.874 10.762 ( 4.428 -1.536 3.123) 5.632 11.154 ( -6.115 6.042 -4.962) 9.925 14.874 ( -11.875 0.983 1.087) 11.965 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 4.804 1.671 4.926) 7.081 3.963 ( 18.331 -5.246 3.059) 19.311 4.744 ( 16.222 -9.303 -0.566) 18.709 5.105 ( 0.669 0.800 0.782) 1.303 5.760 ( -3.442 -0.422 1.772) 3.894 6.708 ( -5.174 -3.687 -3.821) 7.414 9.092 ( -5.123 -2.958 8.866) 10.658 9.487 ( 15.153 -5.656 -5.173) 16.981 9.989 ( 18.139 -0.856 4.011) 18.596 10.794 ( 0.802 -4.704 5.279) 7.116 11.113 ( -8.024 15.525 -8.672) 19.509 14.672 ( -13.603 2.372 1.337) 13.873 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 5.863 2.857 2.713) 7.064 4.204 ( 15.663 -7.905 3.187) 17.832 4.769 ( 1.986 -16.002 4.746) 16.808 5.220 ( 10.056 1.051 -7.553) 12.620 5.730 ( -0.453 0.151 6.921) 6.937 6.538 ( -7.757 -4.228 -5.944) 10.648 9.076 ( 1.235 -1.067 11.282) 11.400 9.544 ( 5.487 -9.380 -4.584) 11.794 10.271 ( 11.273 -8.763 4.366) 14.931 10.772 ( 3.756 -6.850 6.222) 9.987 11.126 ( -8.041 22.270 -11.330) 26.249 14.510 ( -9.704 5.663 1.468) 11.331 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 6.919 4.608 0.935) 8.365 4.320 ( 7.713 -12.958 1.459) 15.150 4.615 ( -2.527 -16.004 5.960) 17.264 5.299 ( 4.049 -2.787 -8.932) 10.195 5.830 ( 6.953 0.694 11.332) 13.313 6.354 ( -6.529 -2.015 -8.014) 10.531 9.178 ( 5.562 1.213 10.712) 12.131 9.500 ( 5.443 -15.546 -3.860) 16.918 10.150 ( -11.592 -11.946 5.548) 17.546 10.837 ( 5.469 -3.783 1.465) 6.810 11.187 ( -5.418 18.459 -8.374) 20.981 14.496 ( -1.049 9.722 1.476) 9.889 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 7.467 6.532 -0.385) 9.928 4.200 ( -3.001 -18.249 0.597) 18.504 4.436 ( -3.698 -14.504 3.370) 15.342 5.300 ( 2.905 -2.144 -4.257) 5.582 5.980 ( 3.787 -0.292 10.911) 11.553 6.256 ( 0.152 0.628 -8.450) 8.475 9.300 ( 0.130 -10.996 0.145) 10.998 9.392 ( 5.816 -11.068 5.394) 13.617 9.846 ( -11.662 -5.651 4.029) 13.571 10.874 ( 0.452 2.697 -2.135) 3.469 11.190 ( -7.439 7.700 -3.822) 11.368 14.657 ( 6.006 11.628 1.195) 13.142 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.000 0.752 10.022) 10.050 3.358 ( 0.000 -3.626 0.966) 3.752 4.211 ( 0.000 -0.888 -1.661) 1.883 5.163 ( -0.000 -1.870 3.904) 4.328 5.864 ( 0.000 -0.246 -1.177) 1.202 6.824 ( 0.000 -0.765 -1.291) 1.501 8.565 ( 0.000 -1.296 -2.069) 2.441 9.422 ( 0.000 -12.968 2.315) 13.173 9.840 ( -0.000 13.597 2.823) 13.887 10.637 ( -0.000 -1.956 1.944) 2.758 11.256 ( 0.000 5.608 -4.591) 7.247 15.091 ( -0.000 0.771 1.323) 1.531 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.672 0.728 10.138) 10.301 3.409 ( 11.121 -6.589 1.556) 13.020 4.262 ( 8.409 -2.460 -1.869) 8.959 5.142 ( -0.905 -3.834 4.493) 5.976 5.842 ( -1.205 -1.506 -0.456) 1.981 6.795 ( -0.835 -2.926 -2.134) 3.717 8.696 ( 17.876 -2.580 -2.953) 18.301 9.259 ( -2.977 -15.038 4.091) 15.866 9.940 ( -5.556 12.477 5.226) 14.623 10.667 ( 5.060 -3.169 3.124) 6.738 11.303 ( -2.871 13.217 -7.291) 15.365 15.047 ( -6.608 0.977 1.852) 6.931 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 3.201 0.323 7.283) 7.962 3.595 ( 18.038 -8.778 3.049) 20.291 4.408 ( 13.344 -6.129 -1.535) 14.764 5.098 ( -0.641 -4.498 3.550) 5.766 5.795 ( -1.748 -2.877 1.176) 3.566 6.715 ( -2.834 -5.287 -4.060) 7.243 9.021 ( 21.374 -7.855 -3.957) 23.113 9.107 ( 2.827 -11.184 5.797) 12.910 9.963 ( -4.686 8.620 7.642) 12.436 10.731 ( 3.660 -4.090 5.313) 7.639 11.364 ( -5.177 19.738 -10.046) 22.744 14.913 ( -11.250 1.964 2.184) 11.627 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 5.356 0.487 3.313) 6.317 3.833 ( 18.979 -10.912 4.201) 22.291 4.525 ( 9.738 -12.815 1.431) 16.159 5.086 ( 3.713 -2.889 -1.369) 4.900 5.747 ( -0.477 -4.004 4.482) 6.029 6.570 ( -5.178 -6.207 -6.062) 10.104 9.003 ( 3.626 -11.528 6.999) 13.966 9.309 ( 13.878 -9.365 -5.160) 17.519 10.076 ( 6.735 5.429 10.646) 13.718 10.720 ( -1.362 -6.286 6.342) 9.033 11.439 ( -6.773 24.093 -12.372) 27.918 14.750 ( -11.707 4.185 2.622) 12.706 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 7.811 1.698 -0.175) 7.995 4.012 ( 14.010 -14.634 3.647) 20.585 4.483 ( 1.867 -16.319 5.208) 17.231 5.137 ( 6.588 -3.886 -7.257) 10.544 5.766 ( 5.036 -3.519 9.168) 11.036 6.395 ( -5.984 -4.657 -7.237) 10.481 9.030 ( 9.089 -10.203 6.259) 15.030 9.312 ( 2.682 -12.386 -2.934) 13.009 10.246 ( -1.700 1.726 12.229) 12.467 10.663 ( 3.985 -7.342 3.516) 9.064 11.506 ( -8.720 24.727 -12.961) 29.249 14.653 ( -6.677 7.144 3.191) 10.286 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 9.701 3.564 -2.737) 10.691 4.010 ( 4.330 -19.604 1.915) 20.168 4.348 ( -1.307 -15.185 4.921) 16.016 5.170 ( 5.985 -4.865 -5.865) 9.689 5.909 ( 9.804 -2.290 11.808) 15.518 6.243 ( -4.507 -2.307 -8.234) 9.666 9.093 ( 6.297 -19.326 -1.563) 20.386 9.216 ( 4.839 -7.958 4.958) 10.552 10.115 ( -16.622 3.282 10.471) 19.918 10.747 ( 9.100 -5.846 1.822) 10.969 11.509 ( -12.871 20.908 -11.261) 27.011 14.700 ( 1.257 8.991 3.320) 9.666 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -0.000 -0.231 11.728) 11.730 3.232 ( 0.000 -10.124 1.216) 10.196 4.160 ( 0.000 -2.943 -1.953) 3.532 5.117 ( -0.000 -6.389 5.269) 8.282 5.824 ( 0.000 -4.076 -0.034) 4.076 6.758 ( 0.000 -4.465 -2.898) 5.323 8.502 ( 0.000 -3.390 -3.218) 4.674 9.128 ( 0.000 -17.537 3.571) 17.897 10.174 ( -0.000 15.408 9.467) 18.084 10.580 ( -0.000 -5.158 2.783) 5.861 11.453 ( 0.000 18.650 -9.149) 20.773 15.121 ( -0.000 1.154 2.353) 2.621 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.839 -1.865 9.548) 9.765 3.234 ( 12.491 -12.695 2.315) 17.959 4.179 ( 6.826 -4.610 -1.852) 8.443 5.059 ( -0.272 -8.228 4.995) 9.629 5.764 ( -0.217 -7.910 0.790) 7.952 6.684 ( -1.677 -5.416 -4.295) 7.113 8.591 ( 16.003 -5.896 -3.958) 17.508 8.975 ( 0.363 -15.794 4.317) 16.377 10.236 ( -10.418 10.688 10.188) 18.071 10.633 ( 6.790 -1.647 5.728) 9.035 11.598 ( -2.487 22.639 -10.880) 25.240 15.090 ( -6.205 1.891 2.694) 7.024 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 3.228 -3.021 4.449) 6.272 3.394 ( 19.577 -14.491 4.185) 24.714 4.256 ( 9.214 -8.350 -0.532) 12.446 4.996 ( 1.274 -8.259 2.447) 8.708 5.676 ( 1.317 -12.461 2.232) 12.727 6.569 ( -3.859 -4.767 -5.256) 8.077 8.781 ( 12.425 -13.021 -3.528) 18.341 8.927 ( 11.635 -10.485 3.352) 16.017 10.205 ( -5.933 7.615 10.881) 14.546 10.724 ( 0.334 0.024 8.458) 8.464 11.730 ( -4.620 25.081 -12.559) 28.428 14.985 ( -9.992 3.490 3.326) 11.094 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 7.211 -2.485 -0.674) 7.657 3.593 ( 18.885 -17.003 4.555) 25.817 4.287 ( 5.602 -12.944 2.900) 14.399 4.971 ( 4.625 -7.274 -2.973) 9.118 5.609 ( 6.400 -15.192 4.585) 17.111 6.435 ( -5.568 -2.207 -4.711) 7.620 8.786 ( 7.635 -12.860 -0.240) 14.958 9.053 ( 11.465 -13.532 -0.447) 17.742 10.304 ( 4.274 6.777 12.413) 14.774 10.685 ( -7.899 -0.668 7.914) 11.201 11.835 ( -6.840 25.627 -13.931) 29.960 14.871 ( -9.653 5.607 4.560) 12.059 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 10.953 -0.504 -4.450) 11.833 3.686 ( 11.653 -20.806 2.683) 23.998 4.222 ( 1.311 -14.289 4.976) 15.187 4.979 ( 6.809 -7.629 -5.015) 11.389 5.658 ( 14.125 -14.031 5.629) 20.690 6.315 ( -6.291 1.079 -2.649) 6.911 8.788 ( 8.066 -15.921 -2.375) 18.005 9.048 ( 5.064 -12.370 2.162) 13.540 10.486 ( -8.399 10.352 17.154) 21.725 10.552 ( 2.537 -5.191 0.703) 5.820 11.883 ( -10.611 23.675 -14.445) 29.695 14.824 ( -4.922 6.990 5.805) 10.333 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -0.000 -4.476 10.153) 11.096 2.985 ( 0.000 -16.172 1.813) 16.273 4.072 ( 0.000 -4.497 -2.064) 4.948 4.985 ( -0.000 -11.100 5.455) 12.368 5.653 ( 0.000 -15.346 0.071) 15.346 6.638 ( 0.000 -3.869 -4.323) 5.801 8.380 ( 0.000 -6.888 -3.491) 7.722 8.837 ( 0.000 -13.979 3.496) 14.410 10.497 ( -0.000 -4.837 2.811) 5.594 10.564 ( -0.000 15.262 15.210) 21.547 11.810 ( 0.000 24.582 -11.396) 27.095 15.173 ( -0.000 2.307 2.908) 3.712 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.141 -7.029 6.256) 9.411 2.953 ( 14.369 -18.106 3.427) 23.368 4.062 ( 4.986 -6.018 -1.594) 7.976 4.891 ( 0.750 -12.426 4.376) 13.195 5.476 ( 1.814 -23.087 -0.648) 23.168 6.576 ( -2.416 -1.701 -3.739) 4.766 8.403 ( 12.404 -10.525 -3.976) 16.746 8.749 ( 2.394 -9.601 3.802) 10.600 10.397 ( -6.588 0.363 5.406) 8.529 10.790 ( 1.578 10.020 14.038) 17.319 11.993 ( -2.453 25.561 -11.858) 28.284 15.163 ( -5.414 3.420 3.387) 7.245 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.499 -7.663 0.070) 8.886 3.094 ( 20.549 -19.506 4.798) 28.736 4.084 ( 5.843 -9.218 0.618) 10.931 4.812 ( 2.955 -11.742 0.497) 12.118 5.290 ( 6.932 -27.947 -0.003) 28.794 6.501 ( -4.309 0.443 -2.194) 4.856 8.481 ( 11.828 -14.901 -4.463) 19.541 8.776 ( 7.825 -6.302 3.417) 10.612 10.356 ( -1.525 1.972 6.355) 6.826 10.888 ( -5.851 7.706 13.409) 16.535 12.136 ( -5.007 25.460 -12.595) 28.843 15.098 ( -8.434 5.118 4.782) 10.963 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 10.556 -5.682 -4.985) 12.983 3.240 ( 17.518 -21.947 3.234) 28.266 4.068 ( 3.401 -11.925 3.720) 12.946 4.763 ( 5.709 -11.833 -3.524) 13.603 5.217 ( 16.082 -25.796 1.525) 30.437 6.430 ( -5.215 2.405 0.143) 5.745 8.484 ( 8.715 -16.503 -3.721) 19.030 8.851 ( 6.372 -6.634 1.793) 9.372 10.420 ( 4.312 0.084 4.207) 6.025 10.863 ( -11.101 9.010 14.229) 20.171 12.221 ( -8.217 23.855 -13.903) 28.808 15.029 ( -8.313 6.359 6.927) 12.551 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -0.000 -10.518 6.864) 12.560 2.635 ( 0.000 -21.260 2.771) 21.440 3.959 ( 0.000 -5.493 -2.076) 5.872 4.765 ( 0.000 -15.142 4.976) 15.938 5.180 ( 0.000 -32.038 -3.208) 32.198 6.579 ( 0.000 -0.054 -2.424) 2.425 8.182 ( 0.000 -11.053 -2.822) 11.407 8.669 ( -0.000 -4.951 3.251) 5.923 10.452 ( -0.000 -1.178 2.043) 2.358 10.953 ( -0.000 12.149 16.670) 20.627 12.223 ( 0.000 25.593 -10.737) 27.754 15.255 ( -0.000 3.841 3.383) 5.118 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.008 -12.939 2.177) 13.120 2.586 ( 16.387 -22.374 4.465) 28.090 3.927 ( 3.315 -6.767 -1.174) 7.626 4.644 ( 1.912 -15.397 2.925) 15.789 4.858 ( 4.729 -37.898 -3.657) 38.366 6.557 ( -2.047 0.519 -1.108) 2.385 8.138 ( 8.862 -13.792 -2.871) 16.643 8.680 ( 2.459 0.355 3.218) 4.065 10.429 ( -2.913 1.334 2.489) 4.057 11.093 ( -2.694 8.480 14.773) 17.245 12.410 ( -2.929 25.022 -9.882) 27.062 15.272 ( -4.265 4.928 4.256) 7.784 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 7.455 -11.820 -3.861) 14.498 2.708 ( 20.482 -23.329 3.953) 31.295 3.912 ( 3.696 -9.308 1.810) 10.177 4.517 ( 4.442 -22.695 -5.503) 23.771 4.667 ( 14.496 -29.310 2.274) 32.778 6.520 ( -2.924 1.166 0.570) 3.199 8.148 ( 10.066 -16.163 -2.915) 19.263 8.759 ( 2.888 2.711 1.919) 4.402 10.419 ( -1.076 2.177 2.603) 3.560 11.133 ( -6.155 6.247 12.903) 15.601 12.532 ( -6.568 23.379 -10.177) 26.331 15.248 ( -6.901 6.175 6.270) 11.183 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 -16.600 3.370) 16.938 2.206 ( 0.000 -25.195 3.930) 25.499 3.834 ( 0.000 -5.790 -2.033) 6.136 4.393 ( 0.000 -44.706 -4.130) 44.896 4.478 ( 0.000 -17.122 2.097) 17.249 6.569 ( 0.000 -0.488 -0.696) 0.850 7.923 ( 0.000 -13.468 -1.651) 13.569 8.707 ( -0.000 6.500 3.338) 7.307 10.483 ( -0.000 3.098 0.976) 3.248 11.234 ( -0.000 5.067 13.266) 14.200 12.646 ( -0.000 24.229 -7.223) 25.283 15.368 ( -0.000 4.987 4.215) 6.530 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 1.081 -18.040 -1.054) 18.103 2.152 ( 18.016 -25.438 4.656) 31.518 3.782 ( 1.728 -8.672 -0.045) 8.842 3.994 ( 8.473 -44.584 -7.272) 45.961 4.350 ( 3.904 -16.812 3.018) 17.522 6.552 ( -0.779 -0.857 -0.004) 1.158 7.846 ( 6.591 -14.156 -1.425) 15.680 8.810 ( 0.197 10.511 2.788) 10.876 10.496 ( -2.829 4.139 0.998) 5.112 11.283 ( -2.495 1.336 10.493) 10.868 12.819 ( -4.035 22.585 -5.877) 23.683 15.410 ( -2.948 5.642 5.333) 8.304 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 -21.633 0.817) 21.649 1.718 ( 0.000 -28.123 5.123) 28.585 3.401 ( 0.000 -52.108 -7.035) 52.581 3.711 ( 0.000 -5.231 -1.910) 5.569 4.161 ( 0.000 -17.151 2.828) 17.383 6.541 ( 0.000 -1.933 -0.316) 1.958 7.655 ( 0.000 -12.697 -0.540) 12.709 8.953 ( -0.000 15.566 3.607) 15.978 10.575 ( -0.000 5.529 0.140) 5.530 11.322 ( -0.000 -3.581 7.375) 8.198 13.053 ( -0.000 20.989 -2.976) 21.199 15.503 ( -0.000 5.119 5.527) 7.533 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -0.000 0.000 21.612) 21.612 0.476 ( -0.000 0.000 21.612) 21.612 0.881 ( -0.000 0.000 40.330) 40.330 3.507 ( 0.000 -0.000 -1.876) 1.876 3.507 ( 0.000 -0.000 -1.876) 1.876 7.266 ( -0.000 0.000 1.482) 1.482 7.266 ( -0.000 0.000 1.482) 1.482 7.916 ( 0.000 -0.000 -7.684) 7.684 10.795 ( 0.000 -0.000 -0.913) 0.913 10.795 ( 0.000 -0.000 -0.913) 0.913 13.753 ( -0.000 0.000 2.958) 2.958 14.351 ( 0.000 -0.000 -1.255) 1.255 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 21.559 12.447 17.185) 30.249 0.945 ( 22.385 12.924 15.747) 30.267 1.329 ( 32.120 18.544 22.557) 43.410 3.497 ( 0.730 0.421 -2.891) 3.012 3.629 ( 8.931 5.157 -2.163) 10.537 6.646 ( -12.531 -7.235 9.258) 17.178 7.327 ( 4.577 2.642 1.940) 5.629 9.187 ( 37.172 21.461 -33.901) 54.696 10.629 ( -5.158 -2.978 -8.510) 10.388 10.752 ( -3.160 -1.824 -1.248) 3.856 13.699 ( -5.726 -3.306 4.277) 7.874 14.941 ( 29.344 16.942 -27.603) 43.704 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 16.560 9.561 17.410) 25.861 1.518 ( 23.705 13.686 11.566) 29.716 2.295 ( 44.515 25.701 7.683) 51.972 3.519 ( 2.284 1.319 -3.527) 4.404 3.879 ( 13.687 7.902 -1.135) 15.845 6.526 ( -2.852 -1.647 1.312) 3.545 7.481 ( 8.331 4.810 2.315) 9.895 9.351 ( -7.438 -4.294 -3.136) 9.143 10.653 ( -4.948 -2.857 -1.525) 5.913 10.680 ( 12.022 6.941 -24.823) 28.441 13.545 ( -9.455 -5.459 7.597) 13.300 15.217 ( 5.408 3.123 -22.227) 23.087 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 17.008 9.819 11.250) 22.633 2.074 ( 22.380 12.921 8.586) 27.231 3.298 ( 41.856 24.165 3.900) 48.488 3.572 ( 3.454 1.994 -3.663) 5.415 4.226 ( 17.348 10.016 -0.283) 20.034 6.472 ( -2.247 -1.297 -2.695) 3.740 7.708 ( 10.770 6.218 2.595) 12.704 9.115 ( -10.825 -6.250 3.861) 13.082 10.534 ( -4.669 -2.696 -1.732) 5.663 10.829 ( 6.991 4.036 -24.242) 25.550 13.346 ( -11.249 -6.495 12.855) 18.275 15.120 ( -5.780 -3.337 -19.068) 20.202 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 15.697 9.063 5.512) 18.945 2.573 ( 19.511 11.265 5.910) 23.291 3.645 ( 4.039 2.332 -3.179) 5.645 4.146 ( 31.161 17.991 1.904) 36.032 4.666 ( 22.434 12.952 -0.165) 25.905 6.396 ( -3.394 -1.959 -4.367) 5.867 7.965 ( 10.771 6.219 2.824) 12.754 8.954 ( -4.310 -2.489 4.873) 6.966 10.450 ( -1.825 -1.054 -1.901) 2.838 10.779 ( -4.266 -2.463 -22.704) 23.232 13.117 ( -14.784 -8.536 17.322) 24.321 14.900 ( -6.158 -3.555 -17.684) 19.060 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 12.560 7.252 0.363) 14.508 2.985 ( 15.586 8.999 3.259) 18.290 3.727 ( 4.028 2.326 -1.945) 5.042 4.691 ( 18.109 10.455 2.065) 21.012 5.214 ( 24.768 14.300 -3.396) 28.800 6.298 ( -3.738 -2.158 -2.662) 5.071 8.191 ( 8.021 4.631 2.986) 9.732 8.964 ( 3.691 2.131 4.036) 5.870 10.452 ( 2.726 1.574 -2.058) 3.761 10.500 ( -12.709 -7.337 -20.951) 25.579 12.758 ( -22.840 -13.187 15.329) 30.505 14.787 ( 1.419 0.820 -12.192) 12.301 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 8.518 4.918 -4.398) 10.774 3.291 ( 11.035 6.371 0.580) 12.755 3.810 ( 3.590 2.073 0.095) 4.147 5.031 ( 11.924 6.884 3.054) 14.103 5.660 ( 15.614 9.015 -10.554) 20.891 6.244 ( -0.183 -0.105 4.158) 4.163 8.338 ( 4.199 2.424 2.940) 5.670 9.134 ( 10.059 5.807 1.755) 11.747 10.114 ( -14.360 -8.291 -16.739) 23.561 10.550 ( 6.186 3.572 -2.152) 7.461 12.222 ( -27.731 -16.011 9.860) 33.505 14.858 ( 6.577 3.797 -5.474) 9.362 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 4.534 2.618 -8.649) 10.110 3.482 ( 6.160 3.557 -1.901) 7.363 3.888 ( 2.871 1.657 2.553) 4.184 5.256 ( 7.078 4.087 3.623) 8.940 5.825 ( 4.540 2.621 -13.830) 14.790 6.340 ( 5.285 3.051 9.058) 10.922 8.408 ( 1.351 0.780 2.633) 3.060 9.399 ( 12.706 7.336 -1.789) 14.780 9.794 ( -8.892 -5.134 -9.360) 13.893 10.688 ( 6.097 3.520 -2.156) 7.363 11.636 ( -25.725 -14.852 6.172) 30.339 14.997 ( 6.157 3.555 -1.907) 7.360 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 1.113 0.642 -11.930) 11.999 3.556 ( 1.311 0.757 -3.490) 3.804 3.953 ( 1.708 0.986 4.356) 4.782 5.372 ( 2.076 1.199 3.324) 4.099 5.852 ( 2.834 1.636 -10.489) 10.987 6.470 ( 2.548 1.471 8.896) 9.370 8.427 ( -0.232 -0.134 2.198) 2.215 9.643 ( 9.265 5.349 -5.719) 12.132 9.683 ( 0.280 0.161 -0.403) 0.516 10.784 ( 2.736 1.579 -2.101) 3.794 11.172 ( -15.388 -8.884 3.969) 18.207 15.097 ( 2.945 1.701 -0.596) 3.453 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( -1.926 -1.112 -13.795) 13.973 3.518 ( -3.459 -1.997 -4.182) 5.783 3.991 ( 0.118 0.068 5.058) 5.060 5.372 ( -2.903 -1.676 2.212) 4.017 5.895 ( 3.696 2.134 -8.055) 9.115 6.498 ( -3.105 -1.793 10.115) 10.732 8.417 ( -1.292 -0.746 1.804) 2.341 9.630 ( -8.035 -4.639 -3.120) 9.788 9.866 ( 13.638 7.874 2.943) 16.021 10.787 ( -1.820 -1.051 -1.984) 2.890 11.054 ( 4.660 2.690 -0.111) 5.382 15.126 ( -0.075 -0.043 0.493) 0.501 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -5.203 -3.004 -14.182) 15.402 3.369 ( -8.408 -4.854 -4.690) 10.782 3.993 ( -1.521 -0.878 5.062) 5.357 5.263 ( -7.223 -4.170 1.442) 8.464 5.922 ( -0.602 -0.347 -7.819) 7.850 6.424 ( -5.586 -3.225 12.150) 13.756 8.379 ( -2.729 -1.576 1.522) 3.500 9.334 ( -15.119 -8.729 -4.289) 17.977 10.274 ( 19.855 11.463 8.225) 24.357 10.698 ( -5.107 -2.949 -1.753) 6.152 11.307 ( 16.659 9.618 -5.816) 20.096 15.117 ( -0.656 -0.379 2.556) 2.666 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -9.099 -5.253 -13.290) 16.941 3.106 ( -13.436 -7.757 -5.336) 16.406 3.959 ( -2.981 -1.721 4.647) 5.783 5.064 ( -10.876 -6.279 1.554) 12.654 5.711 ( -17.001 -9.815 -4.386) 20.115 6.413 ( 1.519 0.877 8.911) 9.082 8.296 ( -5.357 -3.093 1.283) 6.318 8.991 ( -12.824 -7.404 -4.995) 15.628 10.570 ( -5.134 -2.964 -1.346) 6.079 10.758 ( 19.385 11.192 7.390) 23.572 11.701 ( 20.001 11.547 -8.374) 24.566 15.139 ( 1.765 1.019 4.927) 5.332 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -13.276 -7.665 -11.160) 18.961 2.731 ( -18.084 -10.441 -5.943) 21.711 3.894 ( -4.097 -2.365 3.934) 6.153 4.787 ( -14.682 -8.476 3.103) 17.234 5.166 ( -29.226 -16.874 -2.343) 33.829 6.502 ( 3.099 1.789 4.682) 5.893 8.140 ( -8.931 -5.156 0.976) 10.359 8.764 ( -5.009 -2.892 -5.166) 7.755 10.484 ( -1.787 -1.032 -0.792) 2.210 11.143 ( 12.715 7.341 1.483) 14.756 12.139 ( 21.159 12.216 -5.188) 24.977 15.236 ( 5.100 2.944 5.155) 7.826 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -16.816 -9.708 -7.360) 20.765 2.259 ( -21.839 -12.609 -6.063) 25.936 3.807 ( -4.658 -2.689 3.005) 6.161 4.312 ( -35.739 -20.634 8.541) 42.143 4.533 ( -18.746 -10.823 -5.909) 22.438 6.556 ( 0.431 0.249 1.848) 1.914 7.910 ( -11.377 -6.568 0.667) 13.153 8.749 ( 5.261 3.037 -4.434) 7.521 10.490 ( 2.403 1.387 -0.316) 2.792 11.329 ( 4.388 2.533 -3.987) 6.447 12.605 ( 20.807 12.013 -0.079) 24.026 15.383 ( 6.302 3.639 1.556) 7.442 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 17.369 13.013) 21.703 1.050 ( -0.000 14.439 25.995) 29.736 1.537 ( -0.000 43.152 19.955) 47.543 3.539 ( 0.000 3.378 -1.582) 3.730 3.574 ( 0.000 8.547 -3.759) 9.337 6.677 ( -0.000 -16.420 8.923) 18.688 7.318 ( -0.000 4.631 1.700) 4.933 9.034 ( 0.000 41.364 -30.566) 51.432 10.667 ( 0.000 -0.797 -9.149) 9.184 10.761 ( 0.000 -3.040 -1.000) 3.201 13.710 ( -0.000 -7.024 4.645) 8.421 14.830 ( 0.000 30.673 -22.962) 38.316 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 27.264 15.787 8.523) 32.637 1.345 ( 9.303 10.143 23.242) 27.011 2.181 ( 16.454 46.543 10.885) 50.552 3.540 ( -1.578 5.658 -2.593) 6.421 3.760 ( 9.620 10.103 -2.230) 14.128 6.559 ( -2.926 -4.547 3.062) 6.214 7.433 ( 5.433 7.139 2.170) 9.230 9.272 ( 6.187 -1.522 -10.607) 12.374 10.592 ( -4.000 5.568 -14.949) 16.446 10.721 ( -1.350 3.187 -6.916) 7.734 13.610 ( -4.199 -9.623 6.904) 12.566 15.079 ( 7.781 12.021 -22.614) 26.766 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 13.656 8.401 16.372) 22.915 1.863 ( 24.598 16.436 6.551) 30.300 3.007 ( 27.176 37.543 4.256) 46.542 3.591 ( 0.657 9.160 -1.745) 9.348 4.060 ( 13.991 11.300 -1.131) 18.020 6.494 ( -2.529 -1.211 -1.261) 3.075 7.644 ( 8.158 10.250 2.712) 13.378 9.167 ( -4.379 -12.855 1.573) 13.671 10.520 ( -1.234 -4.265 -6.798) 8.120 10.754 ( 0.967 10.739 -19.513) 22.294 13.448 ( -6.353 -11.110 11.050) 16.909 15.106 ( -2.252 0.735 -19.912) 20.052 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 15.112 6.740 9.176) 18.921 2.419 ( 19.355 17.449 4.785) 26.495 3.578 ( 8.178 6.669 -4.979) 11.668 3.936 ( 21.105 31.221 4.813) 37.991 4.442 ( 18.503 12.224 -0.622) 22.185 6.426 ( -3.497 -0.857 -3.457) 4.991 7.912 ( 8.565 12.870 3.222) 15.792 8.988 ( -3.737 -8.915 4.036) 10.475 10.438 ( -0.454 -4.353 -4.377) 6.190 10.743 ( -2.661 2.079 -20.949) 21.219 13.261 ( -8.131 -13.041 15.900) 22.113 14.928 ( -7.810 -2.096 -18.695) 20.369 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 14.134 4.162 2.743) 14.987 2.883 ( 14.073 17.238 2.619) 22.407 3.703 ( 3.589 6.251 -3.304) 7.929 4.539 ( 16.593 18.993 3.429) 25.453 4.936 ( 23.926 15.455 -2.616) 28.603 6.340 ( -4.110 -0.780 -2.759) 5.011 8.183 ( 5.937 14.094 3.623) 15.716 8.925 ( 2.027 -3.392 3.593) 5.341 10.408 ( 2.400 -1.488 -5.859) 6.504 10.546 ( -9.680 -5.130 -18.100) 21.157 12.989 ( -15.019 -17.091 16.305) 27.991 14.751 ( -2.973 0.122 -14.736) 15.033 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 11.501 1.102 -3.104) 11.963 3.243 ( 8.633 16.004 0.427) 18.189 3.813 ( 2.493 7.392 -1.179) 7.890 4.925 ( 11.698 11.039 3.931) 16.558 5.431 ( 18.971 11.441 -8.195) 23.621 6.277 ( -2.117 0.803 2.004) 3.024 8.395 ( 1.069 14.112 3.679) 14.622 9.013 ( 8.575 0.644 1.545) 8.737 10.193 ( -12.525 -9.122 -18.195) 23.898 10.489 ( 4.973 3.909 -2.353) 6.749 12.525 ( -23.684 -19.636 11.098) 32.706 14.749 ( 5.612 1.514 -7.420) 9.426 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 8.225 -1.766 -8.206) 11.752 3.487 ( 3.238 14.198 -1.515) 14.641 3.921 ( 1.092 8.267 1.254) 8.432 5.191 ( 7.994 6.683 4.167) 11.222 5.698 ( 8.677 4.079 -12.985) 16.142 6.327 ( 3.236 3.523 7.837) 9.182 8.520 ( -3.697 14.204 3.377) 15.061 9.217 ( 13.208 2.172 -2.039) 13.540 9.856 ( -10.237 -7.025 -11.020) 16.601 10.632 ( 6.137 6.564 -2.665) 9.373 11.939 ( -26.112 -18.478 6.659) 32.675 14.872 ( 8.932 -0.142 -2.604) 9.305 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 5.097 -4.047 -12.025) 13.673 3.619 ( -1.909 12.403 -2.938) 12.889 4.014 ( -0.832 8.429 3.332) 9.102 5.350 ( 3.796 2.598 3.247) 5.630 5.774 ( 3.988 1.681 -10.847) 11.678 6.460 ( 4.115 2.401 8.665) 9.888 8.579 ( -7.251 14.866 2.946) 16.800 9.447 ( 13.465 -0.010 -6.696) 15.038 9.686 ( -1.783 -0.972 -1.806) 2.718 10.776 ( 3.425 7.078 -2.619) 8.288 11.384 ( -21.277 -14.646 4.539) 26.226 14.995 ( 7.673 -2.959 -0.889) 8.272 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 2.332 -5.831 -14.084) 15.420 3.645 ( -7.012 10.789 -3.846) 13.429 4.075 ( -2.992 7.739 4.541) 9.459 5.391 ( -0.508 -1.395 1.359) 2.013 5.824 ( 3.888 2.225 -7.402) 8.653 6.540 ( 0.335 -1.034 9.124) 9.189 8.589 ( -9.691 14.622 2.509) 17.721 9.636 ( 9.959 -2.062 -4.851) 11.268 9.700 ( 3.298 1.652 0.949) 3.809 10.849 ( -2.173 6.418 -2.870) 7.359 11.042 ( -5.480 -7.048 3.031) 9.428 15.059 ( 4.947 -5.250 -0.198) 7.217 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -0.469 -7.488 -14.318) 16.165 3.564 ( -12.406 9.037 -4.544) 16.007 4.094 ( -4.935 6.464 4.870) 9.479 5.322 ( -4.390 -4.419 0.149) 6.231 5.885 ( 2.749 2.042 -6.319) 7.187 6.513 ( -4.229 -4.343 10.633) 12.239 8.557 ( -10.938 12.769 2.343) 16.975 9.480 ( -12.748 -7.365 -4.477) 15.388 10.013 ( 21.130 4.718 4.158) 22.046 10.799 ( -6.305 2.889 -1.562) 7.109 11.114 ( 12.222 3.941 -1.950) 12.989 15.072 ( 3.376 -5.771 1.037) 6.766 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -3.874 -9.150 -12.979) 16.345 3.368 ( -18.035 6.980 -5.221) 20.031 4.069 ( -6.398 4.780 4.495) 9.165 5.165 ( -7.938 -6.318 0.026) 10.145 5.843 ( -7.729 -2.826 -5.712) 10.018 6.438 ( -2.084 -3.715 10.614) 11.437 8.481 ( -12.225 9.450 2.307) 15.623 9.140 ( -15.160 -7.228 -4.812) 17.471 10.416 ( 17.473 -0.451 0.958) 17.505 10.743 ( -1.748 7.134 1.773) 7.556 11.434 ( 19.434 7.270 -4.785) 21.294 15.090 ( 4.218 -4.078 2.810) 6.505 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -8.020 -10.391 -10.232) 16.643 3.056 ( -23.401 4.849 -5.750) 24.580 4.005 ( -7.266 2.806 3.614) 8.587 4.936 ( -11.391 -7.331 0.596) 13.559 5.486 ( -24.407 -10.534 -2.017) 26.659 6.470 ( 3.528 -0.556 5.948) 6.938 8.336 ( -14.178 4.653 2.102) 15.070 8.847 ( -10.459 -3.227 -4.863) 11.977 10.478 ( -0.228 -3.730 -2.494) 4.493 10.981 ( 13.803 7.218 -0.363) 15.580 11.856 ( 22.650 8.671 -1.943) 24.331 15.165 ( 6.475 -1.323 3.284) 7.380 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -12.407 -10.357 -5.799) 17.171 2.641 ( -27.888 3.224 -5.747) 28.656 3.908 ( -7.420 0.694 2.342) 7.812 4.641 ( -16.190 -8.493 3.401) 18.596 4.848 ( -34.530 -13.447 -1.870) 37.103 6.539 ( 2.569 -0.457 2.199) 3.412 8.113 ( -15.723 0.510 1.746) 15.827 8.719 ( -1.321 1.701 -4.105) 4.636 10.450 ( 1.619 -1.410 -1.559) 2.654 11.213 ( 9.379 1.852 -6.991) 11.843 12.338 ( 23.396 9.063 3.035) 25.273 15.292 ( 7.665 0.388 0.551) 7.694 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.000 23.647 7.110) 24.693 1.451 ( -0.000 9.536 23.607) 25.460 2.571 ( -0.000 50.140 7.864) 50.753 3.614 ( -0.000 5.302 -1.387) 5.480 3.780 ( -0.000 15.030 -2.714) 15.273 6.550 ( -0.000 -3.344 2.061) 3.928 7.470 ( -0.000 9.522 2.124) 9.756 9.154 ( 0.000 -6.908 -5.973) 9.132 10.668 ( 0.000 -5.445 -1.254) 5.587 10.709 ( 0.000 13.475 -22.576) 26.292 13.559 ( -0.000 -12.840 8.101) 15.182 15.064 ( 0.000 11.797 -20.777) 23.892 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 19.000 18.548 10.231) 28.455 1.676 ( 8.543 10.764 13.970) 19.596 3.140 ( 8.142 44.651 2.227) 45.442 3.676 ( 1.457 10.042 -0.281) 10.151 3.996 ( 7.271 15.545 -1.095) 17.196 6.519 ( -1.748 -0.697 -0.519) 1.952 7.639 ( 6.248 12.089 2.675) 13.869 9.051 ( 0.849 -14.334 0.323) 14.363 10.530 ( -6.275 -3.285 -6.375) 9.529 10.776 ( 1.195 8.732 -19.050) 20.990 13.433 ( -2.565 -14.958 10.930) 18.702 15.083 ( -0.591 4.539 -19.306) 19.841 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 10.742 5.775 12.436) 17.418 2.255 ( 23.084 19.634 4.130) 30.584 3.555 ( 3.801 17.179 -6.082) 18.616 4.007 ( 13.334 32.928 4.561) 35.817 4.297 ( 11.702 13.687 -0.095) 18.007 6.470 ( -3.220 0.271 -2.421) 4.037 7.920 ( 9.183 15.645 3.653) 18.506 8.924 ( -0.064 -12.619 2.858) 12.939 10.386 ( -2.839 -4.470 -7.963) 9.563 10.758 ( -2.837 2.713 -17.099) 17.544 13.267 ( -4.019 -17.091 14.622) 22.848 14.977 ( -6.404 0.398 -18.309) 19.401 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 12.024 3.021 5.566) 13.590 2.812 ( 18.354 19.727 3.297) 27.146 3.705 ( 2.880 10.563 -5.986) 12.478 4.556 ( 9.137 25.329 5.058) 27.397 4.697 ( 21.600 17.032 -2.920) 27.662 6.402 ( -4.237 0.756 -2.104) 4.791 8.253 ( 7.811 18.913 4.818) 21.022 8.851 ( 2.059 -6.875 2.324) 7.543 10.298 ( 1.782 -4.984 -11.343) 12.517 10.610 ( -7.868 -2.371 -12.860) 15.262 13.049 ( -7.586 -20.611 16.241) 27.316 14.790 ( -7.311 0.536 -15.758) 17.380 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 11.106 -0.151 -0.672) 11.128 3.270 ( 11.503 20.483 2.114) 23.587 3.838 ( 3.208 10.185 -4.665) 11.653 4.898 ( 8.478 14.350 5.300) 17.490 5.205 ( 18.738 14.911 -7.165) 24.996 6.345 ( -3.394 2.272 1.320) 4.293 8.558 ( 2.998 20.345 5.608) 21.316 8.882 ( 5.981 -1.836 -0.227) 6.261 10.197 ( -4.054 -7.716 -19.270) 21.150 10.460 ( -0.903 1.220 -2.340) 2.789 12.693 ( -15.692 -23.281 12.731) 30.827 14.681 ( -0.478 0.816 -9.612) 9.659 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 8.922 -2.962 -6.038) 11.173 3.608 ( 3.961 20.884 0.439) 21.260 3.979 ( 3.139 10.405 -2.197) 11.088 5.164 ( 6.558 9.884 5.168) 12.938 5.528 ( 11.594 5.975 -11.280) 17.245 6.361 ( 0.101 4.213 6.174) 7.475 8.783 ( -2.945 21.888 5.200) 22.689 9.004 ( 10.561 -0.790 -3.722) 11.226 9.926 ( -10.087 -5.945 -12.718) 17.287 10.566 ( 7.782 5.650 -2.864) 10.034 12.180 ( -22.153 -22.152 7.732) 32.268 14.710 ( 6.473 -1.958 -3.757) 7.737 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 6.325 -4.894 -10.037) 12.834 3.813 ( -2.605 19.853 -1.917) 20.115 4.125 ( 1.391 11.389 1.349) 11.553 5.333 ( 3.121 4.753 2.893) 6.380 5.670 ( 6.426 2.298 -9.976) 12.087 6.454 ( 2.819 2.924 8.123) 9.082 8.929 ( -8.074 24.256 4.405) 25.941 9.178 ( 13.273 -2.256 -7.453) 15.389 9.721 ( -5.254 -1.109 -4.088) 6.749 10.754 ( 7.006 7.534 -3.113) 10.749 11.616 ( -22.583 -18.435 4.713) 29.530 14.800 ( 8.941 -5.994 -1.115) 10.822 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 3.733 -5.942 -12.207) 14.081 3.900 ( -7.440 17.795 -3.795) 19.658 4.244 ( -2.485 12.391 4.147) 13.301 5.381 ( 0.078 -0.884 -0.448) 0.994 5.755 ( 4.512 2.779 -6.108) 8.086 6.540 ( 2.010 -0.776 8.506) 8.775 9.006 ( -13.778 25.246 3.416) 28.963 9.355 ( 14.898 -2.696 -6.396) 16.435 9.702 ( 1.049 2.391 -0.249) 2.623 10.900 ( 3.101 6.352 -2.676) 7.558 11.143 ( -15.747 -12.368 3.002) 20.247 14.870 ( 8.323 -9.150 -0.416) 12.376 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.050 -6.422 -12.397) 14.001 3.883 ( -12.137 15.552 -4.887) 20.324 4.304 ( -6.566 12.091 5.249) 14.726 5.328 ( -2.255 -4.849 -1.817) 5.648 5.834 ( 3.657 2.981 -4.804) 6.733 6.553 ( -1.409 -4.506 9.323) 10.451 8.980 ( -16.806 21.260 3.005) 27.266 9.521 ( 2.840 -4.753 -6.010) 8.172 9.781 ( 9.133 6.228 2.602) 11.357 10.913 ( -4.171 -2.981 1.215) 5.268 10.979 ( 3.924 3.043 -2.609) 5.609 14.904 ( 7.240 -10.095 0.124) 12.423 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -2.101 -6.501 -10.753) 12.739 3.755 ( -17.426 13.023 -5.503) 22.440 4.294 ( -9.508 10.057 4.726) 14.625 5.206 ( -4.720 -6.767 -1.506) 8.387 5.879 ( -0.235 1.518 -5.592) 5.799 6.480 ( -3.911 -6.573 10.331) 12.854 8.882 ( -17.963 16.021 3.428) 24.312 9.312 ( -13.671 -5.481 -5.129) 15.596 10.125 ( 18.297 6.059 -0.097) 19.275 10.850 ( -4.406 2.055 0.513) 4.888 11.163 ( 16.435 2.394 -2.112) 16.742 14.936 ( 7.474 -8.393 1.025) 11.285 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -5.924 -5.844 -7.481) 11.190 3.508 ( -22.841 10.186 -5.719) 25.655 4.216 ( -10.822 6.525 3.053) 13.001 5.030 ( -7.817 -6.722 -0.416) 10.318 5.740 ( -14.611 -3.864 -4.022) 15.639 6.427 ( 1.275 -4.169 7.748) 8.890 8.700 ( -18.981 8.064 3.196) 20.869 9.020 ( -14.175 -0.491 -4.220) 14.798 10.386 ( 7.450 1.178 -5.743) 9.480 10.859 ( 5.115 1.943 -1.114) 5.584 11.540 ( 22.898 5.442 2.182) 23.636 15.010 ( 8.866 -5.262 1.100) 10.369 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -10.128 -3.698 -2.607) 11.092 3.149 ( -27.426 7.583 -5.346) 28.953 4.083 ( -10.710 2.362 0.830) 10.998 4.809 ( -11.594 -5.480 0.986) 12.862 5.294 ( -29.394 -7.392 -0.890) 30.323 6.475 ( 4.383 -2.119 2.761) 5.596 8.441 ( -18.857 2.919 3.067) 19.326 8.813 ( -9.393 2.571 -3.422) 10.322 10.412 ( 0.340 -0.128 -4.300) 4.315 11.010 ( 11.642 -0.670 -8.712) 14.556 12.026 ( 24.738 6.926 7.409) 26.736 15.130 ( 9.694 -3.053 -1.292) 10.245 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 24.314 4.787) 24.781 1.754 ( -0.000 6.788 16.707) 18.033 3.533 ( -0.000 44.330 -1.134) 44.344 3.721 ( -0.000 6.566 -1.314) 6.696 4.125 ( -0.000 21.371 1.803) 21.447 6.531 ( 0.000 0.486 -1.009) 1.120 7.712 ( -0.000 13.267 2.660) 13.531 8.907 ( 0.000 -13.934 2.025) 14.081 10.543 ( 0.000 -5.952 -1.659) 6.179 10.752 ( 0.000 6.315 -23.753) 24.578 13.333 ( -0.000 -17.772 12.341) 21.636 15.072 ( 0.000 4.560 -18.137) 18.701 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 5.149 4.796 12.468) 14.317 2.116 ( 16.795 22.249 3.831) 28.138 3.715 ( -4.043 14.372 -4.238) 15.520 4.064 ( 13.679 28.178 -3.051) 31.471 4.388 ( 2.333 25.582 4.801) 26.133 6.517 ( -2.107 1.349 -1.961) 3.179 7.930 ( 8.152 15.227 3.339) 17.591 8.800 ( 1.043 -11.561 3.367) 12.086 10.406 ( -6.838 -4.486 -6.260) 10.299 10.727 ( 1.088 -0.033 -18.573) 18.605 13.181 ( -1.624 -20.299 14.399) 24.941 15.016 ( -3.803 2.603 -17.098) 17.708 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 8.183 2.289 6.891) 10.941 2.669 ( 21.519 19.718 3.571) 29.404 3.788 ( -0.805 12.989 -5.322) 14.060 4.522 ( 15.410 15.477 -2.991) 22.044 4.739 ( 4.986 30.796 3.608) 31.405 6.477 ( -3.604 2.122 -1.656) 4.498 8.288 ( 12.155 18.471 4.929) 22.654 8.748 ( 2.512 -6.885 2.467) 7.733 10.225 ( -4.653 -5.210 -11.456) 13.418 10.639 ( -3.105 -2.972 -12.521) 13.238 12.981 ( -3.610 -23.398 15.519) 28.308 14.878 ( -7.702 1.801 -15.142) 17.083 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 8.956 -0.477 1.410) 9.079 3.215 ( 19.082 18.690 3.529) 26.943 3.899 ( 0.775 13.586 -6.059) 14.896 4.873 ( 12.534 10.020 2.326) 16.214 5.128 ( 7.947 23.157 -3.785) 24.773 6.440 ( -3.618 3.774 0.892) 5.304 8.666 ( 7.152 12.961 7.025) 16.386 8.798 ( 6.675 6.542 -0.847) 9.384 10.076 ( -0.260 -6.962 -16.335) 17.759 10.507 ( -4.657 -1.040 -5.959) 7.634 12.696 ( -8.216 -26.108 13.661) 30.590 14.718 ( -6.625 1.393 -10.827) 12.769 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 8.053 -2.819 -3.385) 9.179 3.687 ( 13.169 19.183 3.852) 23.585 4.029 ( 1.338 13.620 -6.229) 15.036 5.166 ( 9.387 8.976 5.641) 14.160 5.392 ( 6.671 10.616 -9.582) 15.780 6.445 ( -2.107 5.250 4.455) 7.201 8.812 ( 7.340 -0.156 -2.268) 7.684 9.066 ( 1.048 22.435 5.057) 23.021 9.949 ( -2.423 -3.670 -14.941) 15.575 10.484 ( 4.024 2.815 -2.942) 5.725 12.289 ( -14.694 -25.818 9.439) 31.170 14.626 ( -0.942 -1.340 -5.349) 5.595 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 6.297 -4.198 -7.015) 10.319 4.041 ( 2.318 22.145 1.989) 22.355 4.171 ( 4.516 10.998 -3.222) 12.318 5.371 ( 1.543 7.636 4.227) 8.863 5.530 ( 8.339 2.539 -9.575) 12.948 6.490 ( -0.401 3.435 6.568) 7.423 8.930 ( 9.830 -1.592 -7.845) 12.677 9.281 ( -2.525 22.556 6.631) 23.646 9.825 ( -7.469 4.063 -7.171) 11.123 10.654 ( 10.705 5.479 -3.860) 12.630 11.791 ( -18.776 -22.293 5.731) 29.704 14.611 ( 4.509 -6.133 -1.717) 7.804 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 4.237 -4.523 -9.074) 10.989 4.186 ( -6.133 19.356 -5.008) 20.913 4.386 ( 3.812 13.544 5.360) 15.057 5.392 ( -2.742 0.945 -2.475) 3.812 5.674 ( 6.973 3.465 -3.959) 8.735 6.532 ( 0.788 -1.080 7.530) 7.648 9.066 ( 12.420 -2.339 -8.104) 15.013 9.488 ( -5.589 27.453 6.461) 28.751 9.739 ( -5.320 5.240 -2.745) 7.956 10.855 ( 7.136 4.141 -3.158) 8.834 11.304 ( -17.221 -15.761 2.881) 23.522 14.630 ( 7.440 -10.423 -0.432) 12.813 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 1.993 -4.016 -9.340) 10.360 4.209 ( -9.584 16.511 -6.096) 20.041 4.556 ( -3.386 15.226 7.464) 17.292 5.310 ( -3.204 -4.466 -3.853) 6.713 5.788 ( 4.049 3.886 -3.935) 6.855 6.541 ( 0.501 -5.408 8.372) 9.979 9.239 ( 11.749 -1.426 -5.336) 12.982 9.556 ( -16.159 19.842 0.917) 25.606 9.813 ( 3.118 13.386 2.825) 14.032 10.861 ( -2.182 -10.809 3.081) 11.449 11.044 ( -4.107 2.544 -4.370) 6.514 14.654 ( 8.684 -12.093 -0.137) 14.888 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -0.600 -2.863 -7.805) 8.335 4.136 ( -14.078 13.792 -6.294) 20.689 4.607 ( -10.709 13.955 6.598) 18.787 5.186 ( -2.586 -7.616 -2.844) 8.531 5.862 ( 2.270 3.405 -5.364) 6.747 6.496 ( -1.845 -8.012 9.190) 12.331 9.325 ( -7.399 7.979 2.013) 11.066 9.403 ( -10.187 -0.627 -6.280) 11.983 10.034 ( 3.350 18.384 1.951) 18.789 10.854 ( 9.285 -3.810 5.101) 11.258 10.991 ( -1.820 -0.423 -5.962) 6.248 14.696 ( 9.665 -10.452 0.081) 14.236 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -3.675 -0.947 -4.642) 5.996 3.952 ( -19.461 10.557 -5.945) 22.925 4.511 ( -14.583 7.634 2.632) 16.669 5.066 ( -3.649 -5.652 0.292) 6.733 5.864 ( -4.072 1.546 -6.555) 7.870 6.408 ( -1.969 -7.766 9.073) 12.104 9.087 ( -19.590 1.259 -0.120) 19.631 9.264 ( -11.475 4.080 -1.312) 12.250 10.274 ( 7.508 11.692 -6.851) 15.492 10.833 ( -3.986 -4.744 -2.346) 6.625 11.212 ( 22.460 2.903 6.014) 23.432 14.783 ( 10.696 -6.952 -0.316) 12.761 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -7.031 2.089 -0.168) 7.337 3.645 ( -24.517 6.982 -4.965) 25.971 4.309 ( -13.873 0.749 -1.234) 13.948 4.940 ( -7.869 -2.191 2.631) 8.582 5.655 ( -18.763 -1.215 -4.063) 19.237 6.384 ( 3.417 -4.698 4.656) 7.445 8.776 ( -17.835 0.262 1.282) 17.883 9.058 ( -15.659 3.034 -1.152) 15.992 10.418 ( 0.700 7.451 -8.780) 11.536 10.769 ( 7.463 -7.482 -7.340) 12.866 11.698 ( 25.267 5.685 11.271) 28.245 14.909 ( 10.894 -4.314 -2.554) 11.992 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -0.000 3.359 9.768) 10.330 2.204 ( -0.000 22.818 3.783) 23.129 3.845 ( -0.000 7.013 -1.355) 7.143 4.198 ( -0.000 27.276 -6.899) 28.135 4.669 ( -0.000 30.600 4.630) 30.949 6.546 ( 0.000 2.133 -2.087) 2.984 8.006 ( -0.000 14.259 3.050) 14.582 8.710 ( -0.000 -7.754 4.535) 8.983 10.430 ( 0.000 -3.884 -2.048) 4.391 10.609 ( 0.000 -3.670 -22.220) 22.521 13.035 ( -0.000 -22.981 14.737) 27.300 15.023 ( 0.000 3.272 -15.595) 15.934 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 3.910 1.268 6.373) 7.584 2.560 ( 14.305 20.413 3.397) 25.157 3.903 ( -0.526 9.241 -2.573) 9.607 4.477 ( 7.575 18.693 -4.338) 20.630 4.990 ( 1.637 29.104 1.763) 29.203 6.545 ( -2.019 3.037 -1.806) 4.070 8.254 ( 11.352 14.744 3.557) 18.945 8.680 ( 0.746 -3.239 4.266) 5.408 10.268 ( -9.567 -4.207 -9.981) 14.452 10.553 ( 3.626 -4.330 -12.998) 14.172 12.838 ( -1.612 -25.628 14.646) 29.562 14.961 ( -4.884 3.075 -13.596) 14.770 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 6.096 -0.922 2.641) 6.707 3.056 ( 20.216 17.267 3.272) 26.787 4.001 ( 1.145 12.335 -4.129) 13.058 4.767 ( 10.387 11.464 -0.910) 15.497 5.277 ( 1.843 22.590 -1.898) 22.744 6.537 ( -2.626 4.745 -0.147) 5.425 8.665 ( 10.108 11.492 6.515) 16.634 8.712 ( 9.490 5.955 -0.127) 11.205 10.023 ( -7.576 -5.940 -13.555) 16.626 10.519 ( -0.308 -1.007 -7.358) 7.433 12.581 ( -4.111 -27.836 13.190) 31.076 14.831 ( -8.182 2.518 -10.405) 13.474 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 6.546 -2.605 -0.836) 7.095 3.567 ( 20.010 14.445 3.539) 24.932 4.145 ( 1.324 15.707 -5.319) 16.636 5.044 ( 12.246 6.123 1.569) 13.781 5.459 ( -0.330 14.069 -4.594) 14.803 6.553 ( -2.355 6.055 2.179) 6.853 8.733 ( 1.906 2.461 -1.892) 3.642 9.179 ( 14.424 19.045 5.995) 24.632 9.847 ( 0.376 -4.423 -13.754) 14.453 10.486 ( -1.473 2.795 -4.481) 5.483 12.247 ( -8.042 -28.248 10.272) 31.115 14.679 ( -7.682 0.593 -6.242) 9.917 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 5.792 -3.327 -3.593) 7.584 4.019 ( 16.790 11.326 3.917) 20.628 4.303 ( -0.550 19.005 -5.335) 19.747 5.308 ( 13.148 2.888 1.544) 13.549 5.513 ( -3.278 7.617 -4.661) 9.512 6.576 ( -2.708 4.355 3.767) 6.363 8.784 ( 3.766 1.496 -6.734) 7.859 9.482 ( 1.107 12.716 6.292) 14.230 9.916 ( 6.669 10.590 -8.061) 14.887 10.525 ( 5.216 4.186 -4.131) 7.860 11.841 ( -12.200 -25.901 7.063) 29.489 14.550 ( -4.034 -3.415 -2.618) 5.898 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 4.437 -3.003 -5.295) 7.533 4.350 ( 8.007 9.148 -1.821) 12.293 4.471 ( 0.715 19.831 2.021) 19.947 5.468 ( -3.491 2.182 -7.520) 8.573 5.553 ( 9.284 3.711 3.195) 10.496 6.562 ( -2.965 -0.415 4.843) 5.694 8.856 ( 7.332 0.327 -7.668) 10.614 9.639 ( 4.321 9.881 3.581) 11.363 10.049 ( -8.423 20.429 -0.147) 22.098 10.714 ( 11.923 3.706 -5.085) 13.481 11.406 ( -13.796 -20.551 4.341) 25.130 14.459 ( 0.673 -8.106 -0.676) 8.162 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 2.824 -1.808 -5.704) 6.616 4.458 ( -4.228 13.330 -6.916) 15.601 4.714 ( 4.410 12.937 9.123) 16.433 5.357 ( -7.401 -0.863 -4.992) 8.969 5.734 ( 6.504 4.519 -2.289) 8.244 6.511 ( -1.396 -6.103 6.305) 8.885 8.995 ( 11.521 0.410 -5.888) 12.945 9.814 ( 1.620 7.907 -1.722) 8.252 10.088 ( -9.537 23.513 6.681) 26.239 10.815 ( -1.617 -7.626 -0.694) 7.826 11.096 ( -4.380 -4.784 -1.793) 6.730 14.414 ( 5.216 -10.681 -0.111) 11.887 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.992 0.072 -4.695) 4.799 4.439 ( -9.621 11.657 -6.693) 16.530 4.904 ( -1.302 12.311 10.454) 16.203 5.168 ( -8.380 -6.247 -4.967) 11.572 5.843 ( 2.623 5.495 -5.908) 8.484 6.449 ( 0.267 -9.684 7.817) 12.448 9.186 ( 11.849 0.353 -5.436) 13.041 9.730 ( -15.729 5.033 -2.334) 16.679 10.300 ( -1.349 23.862 7.518) 25.054 10.656 ( 2.725 -11.703 2.478) 12.269 11.037 ( -3.936 -0.133 -5.278) 6.585 14.435 ( 8.955 -9.256 -0.121) 12.879 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -1.139 2.576 -2.345) 3.665 4.310 ( -14.592 8.049 -5.912) 17.683 4.845 ( -17.120 1.515 -0.790) 17.205 5.058 ( 0.850 -0.471 5.483) 5.569 5.893 ( 0.109 5.072 -8.235) 9.672 6.381 ( -0.617 -9.756 8.606) 13.023 9.298 ( 0.115 0.404 -8.210) 8.221 9.462 ( -15.866 1.157 2.529) 16.108 10.367 ( -6.017 9.093 -3.882) 11.574 10.864 ( 7.910 -2.188 6.344) 10.373 10.909 ( 5.372 1.496 -0.815) 5.635 14.534 ( 10.991 -5.161 -0.671) 12.161 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -3.506 5.707 0.966) 6.768 4.057 ( -19.909 3.562 -4.526) 20.726 4.533 ( -15.372 -5.065 -4.024) 16.677 5.063 ( -5.006 2.501 6.558) 8.621 5.862 ( -6.966 4.316 -8.794) 12.021 6.316 ( 0.292 -7.463 7.592) 10.650 9.079 ( -17.733 1.530 -2.878) 18.030 9.296 ( -10.419 -2.128 0.118) 10.635 10.378 ( 6.314 -0.036 -12.204) 13.741 10.693 ( -8.775 -2.107 -2.119) 9.270 11.368 ( 24.803 4.948 12.516) 28.219 14.684 ( 10.764 -1.703 -2.447) 11.169 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.000 -0.212 4.907) 4.911 2.644 ( -0.000 19.569 3.194) 19.828 3.969 ( -0.000 6.653 -1.496) 6.819 4.587 ( -0.000 17.989 -3.617) 18.350 5.245 ( -0.000 24.939 -0.659) 24.948 6.588 ( 0.000 3.830 -2.096) 4.366 8.283 ( -0.000 11.488 2.890) 11.846 8.686 ( -0.000 1.781 5.089) 5.391 10.336 ( 0.000 -8.102 -19.199) 20.839 10.380 ( 0.000 0.544 -2.021) 2.093 12.643 ( -0.000 -27.499 13.466) 30.619 14.992 ( 0.000 3.618 -11.530) 12.085 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 3.020 -1.739 3.281) 4.786 2.946 ( 12.624 16.640 2.954) 21.095 4.052 ( 2.762 7.800 -2.203) 8.563 4.767 ( 3.710 13.400 -1.364) 13.971 5.457 ( 0.243 18.750 -2.763) 18.954 6.613 ( -1.047 5.087 -1.671) 5.456 8.523 ( 14.792 10.158 2.527) 18.121 8.736 ( -0.756 5.733 3.930) 6.992 10.082 ( -9.853 -5.892 -13.446) 17.680 10.454 ( 4.511 1.375 -4.928) 6.820 12.399 ( -1.867 -28.750 11.706) 31.098 14.945 ( -5.354 3.399 -8.888) 10.918 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 4.701 -2.683 1.619) 5.650 3.374 ( 18.826 12.879 2.921) 22.996 4.205 ( 5.604 11.146 -3.466) 12.948 4.953 ( 6.179 7.576 0.913) 9.819 5.589 ( -1.122 12.202 -3.812) 12.833 6.645 ( -1.145 5.970 -0.608) 6.109 8.783 ( -2.074 7.390 -0.049) 7.676 8.979 ( 24.829 10.348 2.938) 27.060 9.835 ( -7.694 -3.848 -10.254) 13.385 10.515 ( 1.172 4.716 -3.907) 6.235 12.104 ( -4.275 -28.815 9.381) 30.603 14.822 ( -9.160 2.269 -5.790) 11.072 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 5.037 -2.711 0.063) 5.720 3.818 ( 19.287 9.020 3.027) 21.506 4.422 ( 5.712 15.785 -4.352) 17.341 5.132 ( 9.337 1.787 1.889) 9.693 5.633 ( -3.177 7.247 -3.108) 8.501 6.674 ( -2.225 4.821 0.367) 5.322 8.797 ( -3.063 6.173 -4.031) 7.984 9.506 ( 17.307 9.185 5.847) 20.448 9.745 ( 8.155 2.906 -9.515) 12.864 10.562 ( -1.291 7.601 -2.653) 8.154 11.763 ( -7.066 -27.243 6.961) 28.993 14.651 ( -10.215 -0.160 -2.908) 10.622 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 4.468 -1.847 -1.187) 4.978 4.203 ( 16.257 6.048 2.353) 17.504 4.647 ( 2.180 17.979 -2.754) 18.319 5.319 ( 12.199 -1.348 -1.152) 12.327 5.615 ( -4.203 4.101 0.098) 5.873 6.649 ( -4.869 1.370 1.013) 5.159 8.793 ( -0.411 4.117 -5.112) 6.576 9.665 ( 2.774 5.991 2.204) 6.960 10.161 ( 19.874 13.395 -3.057) 24.161 10.609 ( 0.019 7.350 -2.447) 7.746 11.397 ( -9.027 -23.670 5.050) 25.831 14.466 ( -8.329 -3.548 -0.989) 9.107 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 3.512 -0.272 -1.874) 3.990 4.489 ( 9.953 5.806 -0.911) 11.558 4.811 ( -0.058 12.523 2.787) 12.830 5.434 ( 0.109 0.331 -7.193) 7.201 5.644 ( 5.950 2.717 3.908) 7.619 6.543 ( -6.588 -3.697 1.787) 7.763 8.853 ( 5.110 3.594 -3.407) 7.116 9.819 ( 6.223 8.276 0.303) 10.359 10.423 ( -5.217 12.324 3.235) 13.768 10.727 ( 7.463 2.021 -5.358) 9.407 11.083 ( -4.822 -13.972 3.054) 15.093 14.312 ( -3.526 -5.990 -0.168) 6.953 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 2.454 1.875 -1.737) 3.544 4.617 ( -1.471 7.228 -5.203) 9.027 4.929 ( 3.799 1.525 7.182) 8.267 5.327 ( -9.410 1.164 -2.433) 9.789 5.820 ( 6.550 6.664 -3.054) 9.831 6.394 ( -3.914 -9.070 3.799) 10.584 9.002 ( 9.218 3.460 -2.792) 10.234 9.970 ( -3.094 9.801 -3.467) 10.847 10.379 ( 0.145 -5.280 7.996) 9.583 10.687 ( -7.740 0.324 -0.650) 7.774 11.056 ( 1.881 1.990 -2.739) 3.873 14.253 ( 3.340 -4.834 -0.049) 5.876 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 1.283 4.483 -0.690) 4.714 4.555 ( -9.638 4.051 -4.907) 11.548 4.941 ( -2.800 -9.919 -1.493) 10.414 5.200 ( -7.514 6.290 7.242) 12.185 5.932 ( -0.202 9.144 -8.525) 12.503 6.294 ( 1.697 -11.003 7.059) 13.183 9.182 ( 8.891 3.035 -4.897) 10.595 9.793 ( -19.473 2.792 -1.591) 19.737 10.419 ( 2.312 -13.905 -1.651) 14.192 10.653 ( 7.482 3.832 8.000) 11.605 11.041 ( -6.508 6.315 -2.477) 9.400 14.333 ( 8.749 -0.294 -0.395) 8.762 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -0.108 7.370 1.016) 7.441 4.347 ( -14.858 -1.356 -3.354) 15.292 4.674 ( -12.191 -10.625 -5.006) 16.928 5.205 ( -4.161 4.209 8.539) 10.390 5.949 ( -2.439 7.423 -11.169) 13.630 6.265 ( 1.279 -7.497 8.631) 11.503 9.282 ( -0.108 3.965 -8.362) 9.255 9.467 ( -18.456 -2.326 2.285) 18.742 10.215 ( -1.843 -16.141 -6.726) 17.583 10.838 ( -0.962 0.177 1.508) 1.798 11.102 ( 12.461 7.406 7.253) 16.209 14.512 ( 9.816 3.959 -1.408) 10.678 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -0.000 -2.559 3.899) 4.664 3.000 ( -0.000 14.745 2.659) 14.983 4.078 ( -0.000 5.580 -1.752) 5.849 4.865 ( -0.000 12.100 -0.326) 12.104 5.604 ( -0.000 13.912 -3.623) 14.376 6.663 ( 0.000 5.310 -2.707) 5.960 8.476 ( -0.000 6.387 1.828) 6.644 8.837 ( -0.000 9.840 4.011) 10.626 10.064 ( 0.000 -6.918 -14.253) 15.843 10.425 ( -0.000 4.968 -1.163) 5.102 12.172 ( 0.000 -28.755 9.660) 30.334 14.999 ( 0.000 3.580 -6.778) 7.665 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.448 -2.795 4.352) 5.723 3.240 ( 11.446 11.417 2.513) 16.361 4.172 ( 5.667 6.053 -2.306) 8.606 4.980 ( 1.262 8.530 1.304) 8.721 5.697 ( -0.803 9.304 -3.852) 10.102 6.704 ( -0.118 5.347 -2.722) 6.002 8.679 ( 16.941 4.801 0.820) 17.627 8.934 ( -2.876 11.783 2.192) 12.326 9.893 ( -6.642 -4.350 -9.717) 12.548 10.513 ( 3.446 5.961 -1.402) 7.027 11.910 ( -2.027 -27.603 7.356) 28.638 14.962 ( -5.857 3.018 -4.413) 7.930 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.805 -2.225 4.181) 6.075 3.593 ( 17.489 7.589 2.695) 19.254 4.375 ( 11.137 8.460 -3.439) 14.403 5.076 ( 2.021 3.858 2.850) 5.205 5.731 ( -2.273 5.716 -3.208) 6.938 6.739 ( -0.634 4.445 -2.177) 4.990 8.963 ( -6.951 10.952 -1.129) 13.020 9.124 ( 28.959 3.939 0.093) 29.226 9.744 ( -4.011 -0.052 -5.081) 6.474 10.625 ( 2.306 7.262 -0.658) 7.648 11.621 ( -4.346 -25.286 5.100) 26.159 14.833 ( -10.549 1.730 -2.247) 10.924 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 4.092 -1.044 3.301) 5.360 3.967 ( 18.272 4.224 3.007) 18.993 4.670 ( 12.599 12.197 -4.655) 18.144 5.147 ( 4.351 -1.926 3.501) 5.908 5.714 ( -3.610 3.203 -1.455) 5.040 6.737 ( -3.195 2.257 -1.825) 4.316 8.913 ( -7.857 7.747 -1.713) 11.166 9.621 ( 15.613 0.486 2.841) 15.877 9.810 ( 18.841 8.581 -6.803) 21.792 10.718 ( -0.491 7.826 0.943) 7.898 11.313 ( -6.475 -21.936 3.307) 23.109 14.635 ( -12.909 -0.046 -0.751) 12.931 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 3.824 0.547 2.068) 4.382 4.299 ( 16.068 2.004 2.742) 16.423 4.930 ( 2.559 12.369 -2.122) 12.808 5.246 ( 12.550 -5.431 -1.174) 13.725 5.676 ( -3.081 1.734 2.210) 4.170 6.648 ( -7.468 -0.952 -2.050) 7.803 8.881 ( -3.081 6.514 0.608) 7.231 9.768 ( 6.594 2.149 1.069) 7.017 10.332 ( 25.826 9.202 -6.886) 28.268 10.739 ( -5.739 3.071 2.048) 6.824 11.029 ( -4.885 -14.905 3.212) 16.011 14.413 ( -11.725 -1.209 -0.065) 11.788 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 3.504 2.535 1.011) 4.442 4.552 ( 11.048 0.418 1.020) 11.103 4.971 ( -3.845 1.360 2.943) 5.030 5.376 ( 4.095 -1.105 -7.354) 8.489 5.731 ( 7.193 3.027 5.656) 9.638 6.461 ( -10.222 -4.055 -2.346) 11.245 8.947 ( 2.627 6.423 2.125) 7.258 9.928 ( 10.510 0.125 0.671) 10.532 10.492 ( -14.817 -1.998 -1.551) 15.031 10.715 ( 5.940 -0.851 -4.483) 7.490 10.982 ( 6.693 0.058 4.319) 7.966 14.251 ( -5.733 0.278 0.084) 5.740 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 3.241 4.906 0.475) 5.899 4.647 ( 0.035 -2.150 -1.771) 2.786 4.891 ( -3.066 -7.327 2.689) 8.385 5.339 ( -3.289 0.138 -1.219) 3.510 5.950 ( 8.852 6.534 1.525) 11.108 6.242 ( -7.675 -6.339 -1.401) 10.053 9.089 ( 5.647 6.109 0.550) 8.337 10.094 ( 5.094 -1.705 -1.022) 5.468 10.171 ( -11.615 -9.965 1.014) 15.337 10.664 ( -3.902 -3.056 -0.662) 5.000 11.130 ( 3.282 4.029 0.442) 5.215 14.252 ( 2.970 4.929 -0.014) 5.755 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 2.808 7.446 0.411) 7.969 4.504 ( -9.566 -7.455 -1.234) 12.190 4.716 ( -7.591 -11.202 -2.111) 13.695 5.310 ( -1.761 1.263 3.884) 4.448 6.045 ( -5.704 5.995 -10.023) 12.997 6.174 ( 6.443 -3.927 8.632) 11.465 9.240 ( 5.270 6.048 -3.224) 8.646 9.794 ( -20.871 -3.576 0.176) 21.176 10.058 ( -0.923 -20.338 -2.783) 20.549 10.697 ( 9.697 0.682 3.994) 10.510 11.159 ( -2.866 3.174 0.126) 4.278 14.424 ( 7.954 9.407 -0.395) 12.325 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -0.000 -2.458 7.097) 7.511 3.248 ( -0.000 8.856 2.172) 9.118 4.157 ( 0.000 3.880 -2.137) 4.429 5.056 ( -0.000 6.956 2.352) 7.343 5.768 ( 0.000 6.544 -3.781) 7.557 6.741 ( 0.000 4.711 -3.373) 5.794 8.562 ( -0.000 2.127 0.108) 2.130 9.102 ( -0.000 14.602 2.133) 14.757 9.875 ( 0.000 -4.616 -8.287) 9.486 10.535 ( -0.000 5.940 0.327) 5.949 11.694 ( 0.000 -24.701 4.896) 25.182 15.030 ( 0.000 2.905 -2.678) 3.951 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.917 -1.548 8.644) 8.988 3.421 ( 10.794 5.494 2.234) 12.316 4.249 ( 7.848 3.606 -2.663) 9.038 5.120 ( -0.282 4.161 3.576) 5.494 5.797 ( -1.214 4.243 -3.348) 5.540 6.773 ( 0.058 3.807 -3.040) 4.872 8.733 ( 18.161 1.107 -0.944) 18.219 9.204 ( -6.051 14.217 0.783) 15.471 9.777 ( -2.880 -2.818 -4.401) 5.967 10.628 ( 3.801 5.121 0.966) 6.450 11.467 ( -2.387 -20.347 2.377) 20.624 14.994 ( -6.382 2.219 -1.071) 6.842 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 2.910 -0.413 8.206) 8.716 3.708 ( 16.889 2.231 2.910) 17.282 4.472 ( 15.327 3.940 -3.815) 16.279 5.148 ( -1.181 0.918 4.605) 4.842 5.787 ( -2.533 2.503 -2.285) 4.231 6.785 ( -1.191 2.082 -2.845) 3.721 9.137 ( 14.773 2.463 -1.523) 15.055 9.185 ( 3.777 7.110 0.667) 8.078 9.746 ( 1.686 2.358 -2.008) 3.526 10.750 ( 4.042 4.114 2.328) 6.219 11.235 ( -5.258 -14.798 -0.054) 15.705 14.855 ( -11.697 1.334 0.016) 11.773 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.342 0.743 6.213) 7.094 4.029 ( 18.050 -0.337 3.799) 18.448 4.795 ( 19.850 3.558 -5.745) 20.969 5.127 ( -2.491 -2.556 5.184) 6.294 5.751 ( -3.232 1.483 -0.003) 3.556 6.736 ( -4.691 -0.544 -3.578) 5.925 9.068 ( -9.231 6.866 4.128) 12.223 9.583 ( 17.707 -4.860 -1.055) 18.392 9.940 ( 20.928 7.183 -3.446) 22.393 10.838 ( 0.205 2.282 3.766) 4.409 11.009 ( -7.047 -8.013 -1.948) 10.847 14.642 ( -14.349 1.035 0.457) 14.394 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 3.797 2.136 3.685) 5.706 4.318 ( 15.811 -2.603 4.064) 16.531 5.048 ( -3.306 -7.544 5.402) 9.850 5.125 ( 16.852 2.770 -9.226) 19.411 5.731 ( -0.786 1.663 4.766) 5.109 6.586 ( -9.010 -2.842 -4.939) 10.661 9.045 ( -3.634 6.909 7.088) 10.544 9.715 ( 9.471 -7.832 -0.763) 12.314 10.413 ( 24.306 -0.721 -2.838) 24.482 10.742 ( -12.136 6.488 -4.480) 14.472 10.921 ( 0.846 -3.460 4.429) 5.684 14.428 ( -12.261 2.727 0.495) 12.570 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.469 3.985 1.405) 6.150 4.513 ( 9.675 -6.096 2.947) 11.809 4.906 ( -5.112 -10.273 4.569) 12.351 5.293 ( 5.920 -0.932 -9.687) 11.391 5.838 ( 8.218 2.439 9.033) 12.453 6.365 ( -10.748 -2.521 -6.376) 12.749 9.119 ( 0.697 7.318 6.772) 9.995 9.784 ( 11.146 -13.700 0.119) 17.662 10.400 ( -11.276 -9.253 1.830) 14.700 10.742 ( -5.680 10.175 -8.341) 14.330 11.010 ( 11.788 -0.702 3.137) 12.219 14.328 ( -4.484 7.091 0.482) 8.403 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.000 -0.632 12.138) 12.154 3.373 ( -0.000 2.536 1.882) 3.158 4.195 ( 0.000 1.697 -2.593) 3.099 5.172 ( -0.000 2.478 4.529) 5.162 5.830 ( 0.000 2.889 -3.233) 4.336 6.795 ( 0.000 2.905 -2.857) 4.074 8.573 ( 0.000 -0.215 -1.608) 1.622 9.410 ( -0.000 14.266 1.536) 14.349 9.749 ( 0.000 -4.149 -2.552) 4.871 10.634 ( -0.000 2.921 1.801) 3.432 11.326 ( 0.000 -13.475 -0.423) 13.482 15.069 ( -0.000 1.941 0.090) 1.943 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 1.110 0.094 12.821) 12.869 3.485 ( 10.878 -0.583 2.309) 11.136 4.271 ( 8.755 0.696 -3.049) 9.296 5.194 ( -1.058 0.185 5.299) 5.406 5.831 ( -1.249 1.731 -2.601) 3.365 6.804 ( -0.397 1.179 -2.875) 3.132 8.720 ( 18.327 -0.997 -2.473) 18.520 9.432 ( -8.461 3.348 2.954) 9.567 9.741 ( 0.452 4.398 -0.531) 4.453 10.702 ( 4.574 0.886 2.737) 5.404 11.202 ( -3.000 -5.504 -3.091) 6.989 15.030 ( -6.720 1.476 0.851) 6.933 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.814 0.379 10.423) 10.587 3.723 ( 17.396 -3.139 3.675) 18.055 4.471 ( 16.042 -1.154 -3.845) 16.536 5.175 ( -2.419 -1.889 5.262) 6.092 5.808 ( -2.154 0.984 -0.972) 2.560 6.770 ( -2.337 -1.579 -3.953) 4.855 9.100 ( 27.527 -2.814 -3.771) 27.927 9.294 ( -8.327 -2.193 6.545) 10.816 9.817 ( 2.297 6.842 0.522) 7.236 10.803 ( 5.081 -1.020 4.341) 6.760 11.096 ( -6.349 3.245 -5.760) 9.166 14.886 ( -12.029 1.477 1.092) 12.169 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 2.955 0.737 6.453) 7.136 4.007 ( 18.485 -5.275 5.050) 19.875 4.723 ( 17.974 -6.672 -3.415) 19.475 5.122 ( -2.634 -1.584 2.440) 3.925 5.782 ( -1.755 0.832 2.447) 3.124 6.657 ( -5.669 -4.305 -5.797) 9.180 9.192 ( -4.155 -1.551 9.730) 10.693 9.432 ( 15.946 -7.478 -4.980) 18.302 10.024 ( 16.906 3.359 2.564) 17.426 10.856 ( 1.450 -4.235 6.150) 7.607 11.018 ( -8.673 12.796 -9.006) 17.890 14.685 ( -13.806 2.900 1.061) 14.147 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 4.669 1.792 2.423) 5.558 4.249 ( 14.941 -8.190 5.184) 17.810 4.817 ( 4.486 -15.726 3.972) 16.829 5.134 ( 5.691 1.405 -8.129) 10.022 5.808 ( 2.310 1.447 7.729) 8.196 6.467 ( -8.118 -4.910 -7.383) 12.022 9.195 ( 1.218 -0.559 10.805) 10.888 9.497 ( 6.871 -10.826 -4.013) 13.436 10.320 ( 10.401 -5.138 4.700) 12.517 10.836 ( 2.825 -7.961 5.609) 10.140 11.002 ( -7.909 21.588 -11.771) 25.829 14.524 ( -9.946 6.374 1.178) 11.872 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -0.000 0.200 15.376) 15.377 3.374 ( -0.000 -3.880 1.912) 4.325 4.186 ( 0.000 -0.597 -2.970) 3.029 5.216 ( -0.000 -1.855 5.940) 6.223 5.845 ( 0.000 0.765 -2.264) 2.390 6.800 ( 0.000 -0.619 -3.154) 3.214 8.538 ( 0.000 -1.673 -2.869) 3.321 9.453 ( 0.000 -12.207 3.501) 12.699 9.868 ( -0.000 16.827 2.303) 16.984 10.662 ( -0.000 -1.762 2.807) 3.314 11.202 ( 0.000 3.253 -5.350) 6.261 15.105 ( -0.000 1.286 1.357) 1.870 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -0.030 -0.512 14.003) 14.012 3.432 ( 11.822 -6.690 2.842) 13.878 4.235 ( 8.302 -2.010 -3.207) 9.124 5.198 ( -1.238 -4.069 5.830) 7.216 5.833 ( -0.840 -0.359 -0.988) 1.346 6.760 ( -1.172 -3.292 -4.431) 5.644 8.661 ( 17.531 -2.950 -3.523) 18.123 9.309 ( -1.889 -14.897 5.202) 15.891 9.992 ( -6.250 16.184 4.328) 17.881 10.704 ( 5.745 -2.699 3.713) 7.354 11.224 ( -3.109 11.042 -7.243) 13.567 15.065 ( -6.679 1.416 1.417) 6.973 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.872 -1.523 9.350) 9.514 3.637 ( 18.774 -8.773 4.779) 21.267 4.383 ( 13.665 -5.042 -3.140) 14.900 5.140 ( -2.002 -5.378 4.085) 7.044 5.809 ( -0.721 -1.716 1.583) 2.443 6.659 ( -3.355 -5.779 -6.354) 9.221 8.973 ( 23.300 -7.479 -4.774) 24.932 9.177 ( 1.427 -12.747 6.935) 14.581 10.040 ( -4.646 12.286 6.718) 14.753 10.789 ( 4.279 -3.156 5.319) 7.521 11.260 ( -5.811 17.782 -9.244) 20.867 14.932 ( -11.306 2.560 1.315) 11.666 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 3.473 -1.563 3.887) 5.442 3.888 ( 18.996 -11.187 5.828) 22.803 4.529 ( 12.083 -10.969 -0.644) 16.332 5.073 ( -0.176 -4.305 -0.981) 4.419 5.800 ( 1.582 -3.141 5.452) 6.488 6.497 ( -5.618 -6.134 -7.714) 11.344 9.065 ( 6.735 -14.644 4.204) 16.658 9.268 ( 12.321 -8.071 -2.230) 14.897 10.185 ( 6.292 8.901 9.630) 14.545 10.786 ( -1.882 -6.184 5.750) 8.652 11.310 ( -7.369 22.808 -11.427) 26.553 14.773 ( -11.696 5.183 1.609) 12.893 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -0.000 -2.003 15.291) 15.422 3.251 ( 0.000 -10.240 2.349) 10.506 4.132 ( 0.000 -2.582 -3.150) 4.073 5.177 ( -0.000 -6.634 5.808) 8.817 5.821 ( 0.000 -3.081 -0.180) 3.086 6.714 ( 0.000 -4.893 -5.510) 7.369 8.466 ( 0.000 -3.559 -3.420) 4.935 9.173 ( 0.000 -17.747 4.800) 18.385 10.266 ( -0.000 19.461 7.635) 20.905 10.612 ( -0.000 -5.177 3.112) 6.040 11.360 ( 0.000 16.850 -8.099) 18.696 15.141 ( -0.000 1.574 1.274) 2.025 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -1.344 -4.239 12.066) 12.860 3.267 ( 13.477 -12.653 3.826) 18.877 4.153 ( 7.016 -4.054 -3.057) 8.661 5.112 ( -0.929 -8.651 4.627) 9.855 5.774 ( 0.365 -7.594 1.240) 7.703 6.625 ( -1.994 -5.248 -6.716) 8.753 8.549 ( 15.355 -6.059 -3.874) 16.955 9.027 ( 1.086 -16.339 5.310) 17.215 10.333 ( -10.681 11.411 7.810) 17.473 10.695 ( 7.562 1.256 5.551) 9.464 11.491 ( -2.896 21.142 -8.809) 23.087 15.110 ( -6.120 2.499 0.971) 6.681 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.696 -5.741 6.057) 8.374 3.447 ( 20.095 -14.590 5.599) 25.457 4.243 ( 10.279 -7.177 -1.974) 12.691 5.019 ( -0.723 -9.155 1.708) 9.341 5.703 ( 2.785 -13.201 2.935) 13.807 6.505 ( -4.224 -3.250 -6.753) 8.603 8.739 ( 15.557 -12.838 -4.041) 20.571 8.972 ( 8.227 -11.626 4.651) 14.982 10.309 ( -4.292 7.257 8.630) 12.065 10.810 ( -0.488 2.811 7.153) 7.701 11.608 ( -5.452 23.930 -9.778) 26.419 15.010 ( -9.643 4.591 1.227) 10.750 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.000 -7.045 12.895) 14.695 3.012 ( 0.000 -16.165 3.255) 16.489 4.044 ( 0.000 -4.100 -3.165) 5.179 5.037 ( -0.000 -11.296 4.108) 12.020 5.656 ( 0.000 -16.394 0.675) 16.408 6.581 ( 0.000 -2.580 -6.378) 6.879 8.344 ( 0.000 -6.756 -3.100) 7.433 8.882 ( 0.000 -14.595 4.804) 15.365 10.526 ( -0.000 -5.123 2.614) 5.751 10.708 ( -0.000 18.253 11.191) 21.411 11.704 ( 0.000 23.512 -7.993) 24.833 15.190 ( -0.000 3.047 0.288) 3.060 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -2.473 -9.966 8.714) 13.468 2.998 ( 15.354 -18.040 4.997) 24.210 4.039 ( 5.564 -5.411 -2.729) 8.227 4.928 ( -0.232 -12.726 2.269) 12.929 5.473 ( 2.612 -24.896 0.304) 25.034 6.529 ( -2.445 0.415 -5.045) 5.622 8.364 ( 11.651 -10.303 -3.217) 15.882 8.795 ( 2.668 -10.295 4.750) 11.648 10.445 ( -4.510 -1.158 3.742) 5.974 10.922 ( 0.036 13.072 10.008) 16.464 11.887 ( -3.052 24.845 -7.239) 26.058 15.182 ( -4.994 4.585 0.106) 6.781 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.000 -13.382 9.843) 16.613 2.675 ( 0.000 -21.211 4.565) 21.696 3.932 ( 0.000 -5.092 -3.108) 5.965 4.799 ( 0.000 -15.101 1.108) 15.141 5.157 ( 0.000 -33.942 -0.800) 33.952 6.547 ( 0.000 1.793 -3.646) 4.063 8.156 ( 0.000 -10.699 -2.015) 10.887 8.711 ( -0.000 -5.513 4.611) 7.187 10.471 ( -0.000 -1.609 1.500) 2.200 11.098 ( -0.000 13.234 9.692) 16.403 12.137 ( -0.000 25.269 -4.628) 25.689 15.268 ( -0.000 5.283 -0.873) 5.355 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -0.000 0.000 20.077) 20.077 0.698 ( -0.000 0.000 20.077) 20.077 1.298 ( -0.000 0.000 38.040) 38.040 3.483 ( 0.000 -0.000 -2.613) 2.613 3.483 ( 0.000 -0.000 -2.613) 2.613 7.285 ( -0.000 0.000 1.984) 1.984 7.285 ( -0.000 0.000 1.984) 1.984 7.818 ( 0.000 -0.000 -10.560) 10.560 10.784 ( 0.000 -0.000 -1.226) 1.226 10.784 ( 0.000 -0.000 -1.226) 1.226 13.791 ( -0.000 0.000 4.127) 4.127 14.334 ( 0.000 -0.000 -1.899) 1.899 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 19.925 11.504 14.991) 27.461 1.110 ( 25.275 14.593 14.858) 32.749 1.608 ( 19.185 11.077 28.266) 35.913 3.464 ( 0.486 0.281 -3.265) 3.313 3.603 ( 9.321 5.381 -2.627) 11.079 6.731 ( -15.998 -9.236 6.522) 19.590 7.350 ( 4.691 2.708 2.269) 5.872 8.856 ( 45.383 26.202 -27.824) 59.333 10.563 ( -13.151 -7.593 -4.494) 15.837 10.737 ( -3.250 -1.877 -1.430) 4.016 13.750 ( -4.828 -2.787 5.353) 7.728 14.710 ( 23.525 13.582 -17.079) 32.088 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 14.304 8.258 17.343) 23.949 1.635 ( 22.138 12.782 10.222) 27.531 2.396 ( 40.378 23.313 10.877) 47.877 3.482 ( 2.205 1.273 -3.377) 4.230 3.863 ( 14.245 8.224 -1.775) 16.544 6.537 ( -5.181 -2.991 0.850) 6.043 7.507 ( 8.432 4.868 2.517) 10.057 9.307 ( 1.730 0.999 -5.013) 5.396 10.428 ( 7.215 4.165 -21.986) 23.512 10.636 ( -5.032 -2.905 -1.601) 6.026 13.631 ( -7.555 -4.362 8.571) 12.230 14.987 ( 6.615 3.819 -20.599) 21.970 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 13.834 7.987 10.953) 19.369 2.155 ( 21.234 12.259 6.449) 25.352 3.349 ( 40.184 23.200 5.327) 46.705 3.537 ( 3.570 2.061 -2.825) 4.997 4.220 ( 17.751 10.248 -0.895) 20.516 6.443 ( -3.478 -2.008 -2.517) 4.740 7.737 ( 10.865 6.273 2.757) 12.845 9.159 ( -9.773 -5.642 4.667) 12.212 10.515 ( -4.753 -2.744 -1.772) 5.767 10.563 ( 8.118 4.687 -25.574) 27.238 13.487 ( -8.722 -5.036 13.743) 17.038 14.911 ( -5.229 -3.019 -20.044) 20.934 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 13.029 7.522 3.625) 15.475 2.621 ( 18.560 10.716 3.110) 21.656 3.619 ( 4.378 2.528 -1.523) 5.280 4.173 ( 30.493 17.605 2.943) 35.332 4.658 ( 21.863 12.623 -1.234) 25.276 6.355 ( -3.408 -1.968 -3.132) 5.030 7.997 ( 10.861 6.271 3.046) 12.906 9.007 ( -4.506 -2.602 5.186) 7.346 10.429 ( -1.919 -1.108 -2.021) 2.999 10.532 ( -3.311 -1.911 -23.452) 23.761 13.300 ( -14.431 -8.332 16.902) 23.734 14.710 ( -4.224 -2.439 -17.889) 18.542 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 10.423 6.018 -3.101) 12.428 3.003 ( 14.760 8.522 0.082) 17.043 3.719 ( 4.597 2.654 0.482) 5.330 4.721 ( 18.369 10.605 3.183) 21.448 5.166 ( 22.389 12.926 -5.370) 26.404 6.283 ( -1.937 -1.118 -0.122) 2.240 8.225 ( 8.037 4.640 3.329) 9.860 9.005 ( 2.854 1.648 3.753) 4.995 10.279 ( -11.152 -6.439 -20.317) 24.054 10.428 ( 2.658 1.535 -2.363) 3.874 12.905 ( -25.146 -14.518 12.141) 31.472 14.668 ( 4.897 2.827 -9.875) 11.379 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 6.882 3.973 -8.974) 11.987 3.281 ( 10.351 5.976 -2.377) 12.186 3.826 ( 4.291 2.477 2.780) 5.682 5.069 ( 12.077 6.973 3.796) 14.453 5.542 ( 12.870 7.431 -10.969) 18.471 6.298 ( 2.835 1.637 5.722) 6.593 8.372 ( 4.060 2.344 3.396) 5.789 9.148 ( 8.623 4.978 0.757) 9.985 9.947 ( -11.560 -6.674 -14.436) 19.662 10.524 ( 6.203 3.581 -2.658) 7.639 12.310 ( -29.305 -16.919 6.764) 34.508 14.810 ( 8.500 4.907 -3.347) 10.370 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 3.484 2.011 -13.602) 14.184 3.451 ( 5.755 3.323 -3.774) 7.642 3.927 ( 3.409 1.968 4.538) 6.007 5.295 ( 6.900 3.984 3.156) 8.570 5.691 ( 5.269 3.042 -10.829) 12.421 6.431 ( 5.630 3.250 8.054) 10.350 8.439 ( 1.095 0.632 3.178) 3.420 9.368 ( 10.667 6.158 -4.131) 12.991 9.715 ( -4.968 -2.868 -5.320) 7.824 10.661 ( 6.188 3.573 -2.802) 7.675 11.693 ( -26.340 -15.207 4.481) 30.743 14.981 ( 6.749 3.897 -1.047) 7.863 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.759 0.438 -16.477) 16.501 3.514 ( 1.178 0.680 -4.117) 4.336 4.005 ( 1.900 1.097 5.276) 5.714 5.399 ( 1.642 0.948 0.927) 2.110 5.756 ( 3.964 2.289 -6.778) 8.179 6.562 ( 2.867 1.655 8.187) 8.831 8.454 ( -0.513 -0.296 2.854) 2.915 9.580 ( 10.524 6.076 -5.960) 13.535 9.684 ( 0.967 0.558 0.422) 1.194 10.757 ( 2.876 1.660 -2.826) 4.360 11.214 ( -16.074 -9.280 3.861) 18.958 15.091 ( 3.230 1.865 -0.589) 3.776 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -1.606 -0.927 -17.374) 17.473 3.474 ( -3.581 -2.067 -4.094) 5.819 4.046 ( 0.078 0.045 5.264) 5.265 5.381 ( -3.007 -1.736 -0.904) 3.588 5.826 ( 3.678 2.124 -4.440) 6.144 6.602 ( -2.160 -1.247 9.125) 9.460 8.441 ( -1.543 -0.891 2.609) 3.159 9.591 ( -8.813 -5.088 -4.160) 10.994 9.889 ( 16.843 9.725 1.410) 19.500 10.761 ( -1.628 -0.940 -2.748) 3.329 11.064 ( 2.147 1.240 2.032) 3.205 15.129 ( 0.611 0.353 0.041) 0.707 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -4.367 -2.521 -16.465) 17.220 3.322 ( -8.670 -5.006 -4.208) 10.860 4.046 ( -1.689 -0.975 4.812) 5.192 5.265 ( -6.898 -3.983 -1.360) 8.081 5.856 ( -0.942 -0.544 -4.535) 4.664 6.544 ( -5.108 -2.949 10.298) 11.867 8.401 ( -2.963 -1.711 2.477) 4.224 9.283 ( -15.279 -8.822 -5.114) 18.369 10.333 ( 20.848 12.036 2.626) 24.216 10.675 ( -4.835 -2.792 -2.526) 6.128 11.270 ( 14.315 8.265 -0.921) 16.555 15.139 ( 0.491 0.283 1.468) 1.574 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -7.869 -4.543 -13.992) 16.683 3.054 ( -13.796 -7.965 -4.478) 16.547 4.006 ( -3.235 -1.868 4.060) 5.517 5.066 ( -10.255 -5.920 -1.240) 11.906 5.672 ( -15.382 -8.881 -2.592) 17.950 6.504 ( -0.621 -0.359 7.994) 8.027 8.315 ( -5.638 -3.255 2.325) 6.913 8.936 ( -12.871 -7.431 -5.261) 15.765 10.551 ( -4.767 -2.752 -2.099) 5.891 10.785 ( 18.148 10.478 -2.631) 21.120 11.656 ( 19.684 11.365 0.345) 22.732 15.178 ( 2.572 1.485 2.472) 3.864 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.000 12.158 15.331) 19.567 1.306 ( -0.000 21.335 21.706) 30.436 1.766 ( -0.000 28.584 22.767) 36.543 3.518 ( 0.000 3.792 -2.409) 4.492 3.535 ( 0.000 8.472 -3.566) 9.191 6.756 ( 0.000 -19.172 5.910) 20.062 7.339 ( -0.000 4.625 2.159) 5.104 8.742 ( 0.000 48.419 -24.145) 54.105 10.589 ( 0.000 -10.158 -5.902) 11.748 10.749 ( 0.000 -3.016 -1.315) 3.290 13.765 ( -0.000 -5.990 5.658) 8.240 14.637 ( 0.000 23.390 -14.368) 27.451 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 25.725 13.243 9.642) 30.498 1.597 ( 6.583 9.957 23.528) 26.383 2.295 ( 14.866 40.388 10.340) 44.262 3.512 ( -1.915 6.464 -2.644) 7.242 3.736 ( 10.233 10.371 -2.360) 14.760 6.586 ( -4.582 -6.650 2.082) 8.340 7.458 ( 5.625 7.205 2.448) 9.463 9.154 ( 12.350 9.962 -11.255) 19.454 10.418 ( -6.411 2.803 -15.654) 17.147 10.683 ( -2.961 -2.376 -2.188) 4.382 13.689 ( -3.289 -8.071 7.850) 11.730 14.859 ( 7.230 11.581 -18.773) 23.213 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 13.103 8.664 11.015) 19.185 1.956 ( 20.460 13.111 11.839) 27.031 3.045 ( 25.681 32.233 2.682) 41.300 3.578 ( 1.257 12.131 -0.560) 12.209 4.047 ( 14.409 11.653 -1.239) 18.573 6.480 ( -3.802 -2.181 -1.353) 4.587 7.673 ( 8.267 10.536 2.816) 13.685 9.191 ( -1.761 -11.405 3.005) 11.925 10.380 ( 2.595 3.527 -19.622) 20.105 10.611 ( -3.584 3.395 -6.991) 8.559 13.571 ( -4.485 -9.284 11.961) 15.792 14.894 ( -2.137 1.231 -19.801) 19.954 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 11.742 5.665 6.676) 14.647 2.470 ( 18.009 16.583 4.745) 24.937 3.531 ( 9.399 5.109 -3.721) 11.327 3.984 ( 20.105 31.243 3.905) 37.358 4.434 ( 18.359 12.084 -0.719) 21.990 6.394 ( -3.909 -0.903 -2.552) 4.755 7.947 ( 8.553 13.412 3.262) 16.238 9.037 ( -3.404 -9.716 5.137) 11.506 10.354 ( 2.270 -4.735 -13.331) 14.328 10.554 ( -4.939 3.512 -12.448) 13.845 13.432 ( -6.749 -12.271 16.218) 21.428 14.726 ( -7.067 -0.937 -19.210) 20.490 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 11.082 3.413 -0.583) 11.610 2.905 ( 12.741 17.092 1.237) 21.354 3.678 ( 5.329 4.997 -1.288) 7.418 4.575 ( 16.395 19.852 2.961) 25.916 4.902 ( 22.229 13.783 -3.345) 26.368 6.321 ( -3.173 0.256 -0.694) 3.258 8.223 ( 5.743 14.755 3.727) 16.266 8.965 ( 1.763 -4.856 3.780) 6.401 10.266 ( -2.228 -6.324 -19.023) 20.170 10.435 ( -4.117 0.741 -4.276) 5.982 13.150 ( -16.886 -18.220 13.771) 28.403 14.603 ( 0.300 2.433 -12.865) 13.097 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 8.894 0.748 -7.109) 11.411 3.237 ( 7.429 16.296 -1.550) 17.976 3.814 ( 4.198 6.271 1.340) 7.664 4.967 ( 11.623 11.700 3.411) 16.841 5.340 ( 16.573 9.590 -8.278) 20.860 6.310 ( 0.190 2.590 3.999) 4.768 8.435 ( 0.686 14.592 3.936) 15.129 9.027 ( 7.873 -1.387 0.899) 8.045 10.009 ( -9.923 -7.181 -16.077) 20.212 10.463 ( 4.513 3.798 -2.467) 6.393 12.624 ( -25.835 -20.476 7.436) 33.793 14.684 ( 8.296 2.884 -4.666) 9.945 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 6.181 -1.612 -12.301) 13.861 3.461 ( 2.388 14.643 -3.349) 15.210 3.947 ( 2.467 7.395 3.547) 8.565 5.230 ( 7.678 6.691 2.268) 10.434 5.576 ( 8.321 4.069 -9.244) 13.086 6.407 ( 4.276 4.176 7.300) 9.435 8.559 ( -4.127 14.438 3.784) 15.486 9.188 ( 11.876 -0.305 -3.564) 12.403 9.757 ( -6.815 -4.128 -7.435) 10.898 10.602 ( 6.187 6.435 -3.023) 9.425 11.996 ( -26.971 -18.748 4.237) 33.119 14.852 ( 9.836 0.270 -1.148) 9.907 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 3.736 -3.240 -15.635) 16.399 3.581 ( -2.314 12.669 -4.118) 13.521 4.058 ( -0.054 7.896 4.822) 9.252 5.367 ( 3.403 1.956 -0.825) 4.011 5.685 ( 4.927 2.587 -5.115) 7.559 6.547 ( 4.257 2.594 7.603) 9.092 8.614 ( -7.687 14.957 3.445) 17.166 9.374 ( 13.325 -0.803 -6.707) 14.939 9.677 ( 0.319 0.335 -0.052) 0.465 10.744 ( 3.526 7.014 -3.211) 8.481 11.428 ( -21.384 -14.779 3.550) 26.235 14.988 ( 7.814 -2.844 -0.555) 8.334 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 1.665 -4.326 -16.818) 17.445 3.600 ( -7.119 10.655 -4.381) 13.543 4.127 ( -2.770 7.499 5.200) 9.536 5.385 ( -0.380 -1.784 -2.911) 3.435 5.771 ( 3.983 2.360 -2.337) 5.186 6.631 ( 0.898 -0.586 7.933) 8.005 8.619 ( -9.985 14.639 3.129) 17.994 9.580 ( 9.589 -2.290 -5.536) 11.306 9.712 ( 5.211 2.503 1.163) 5.897 10.815 ( -1.852 6.034 -3.541) 7.237 11.079 ( -6.441 -7.425 3.787) 10.534 15.055 ( 5.234 -5.017 -0.474) 7.266 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.581 -5.348 -15.921) 16.805 3.514 ( -12.402 8.539 -4.611) 15.748 4.146 ( -5.062 6.286 4.865) 9.424 5.307 ( -3.877 -4.331 -3.089) 6.583 5.837 ( 2.003 1.373 -2.634) 3.583 6.617 ( -3.346 -3.791 8.938) 10.270 8.587 ( -11.185 12.957 3.144) 17.403 9.427 ( -12.581 -7.612 -5.428) 15.674 10.039 ( 21.672 4.677 0.643) 22.180 10.777 ( -5.797 3.956 -2.666) 7.507 11.114 ( 10.333 2.223 2.014) 10.759 15.079 ( 4.154 -5.363 0.233) 6.788 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -3.603 -6.447 -13.194) 15.121 3.314 ( -18.006 6.315 -4.896) 19.700 4.115 ( -6.647 4.420 3.982) 8.921 5.152 ( -7.382 -5.908 -2.619) 9.811 5.796 ( -7.009 -2.902 -3.121) 8.204 6.542 ( -3.011 -4.232 8.870) 10.278 8.511 ( -12.617 9.771 3.280) 16.292 9.085 ( -15.119 -7.098 -5.442) 17.566 10.397 ( 15.649 -2.699 -4.161) 16.416 10.741 ( -0.804 8.390 -2.475) 8.784 11.424 ( 19.039 7.164 3.071) 20.573 15.110 ( 5.050 -3.925 0.981) 6.471 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.000 20.545 9.997) 22.849 1.710 ( -0.000 6.150 24.791) 25.542 2.638 ( -0.000 45.979 4.440) 46.193 3.594 ( 0.000 5.688 -2.310) 6.139 3.758 ( -0.000 16.304 -1.452) 16.369 6.568 ( 0.000 -5.300 1.136) 5.420 7.495 ( -0.000 9.629 2.483) 9.944 9.097 ( 0.000 1.622 -4.624) 4.900 10.477 ( 0.000 8.349 -20.812) 22.424 10.653 ( 0.000 -5.511 -1.544) 5.723 13.651 ( -0.000 -10.904 9.106) 14.206 14.857 ( 0.000 11.421 -18.230) 21.512 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 18.548 19.215 6.286) 27.436 1.888 ( 6.179 4.557 20.854) 22.222 3.144 ( 6.621 40.043 -1.485) 40.614 3.672 ( 3.081 11.738 -0.643) 12.153 3.991 ( 6.972 17.241 0.218) 18.599 6.511 ( -2.461 -1.795 -1.000) 3.206 7.668 ( 6.504 12.329 2.840) 14.225 9.068 ( 1.929 -11.963 3.034) 12.492 10.401 ( -6.733 4.495 -18.127) 19.853 10.630 ( 1.480 0.748 -7.795) 7.970 13.554 ( -1.728 -12.990 11.973) 17.751 14.878 ( -0.820 5.037 -19.037) 19.709 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 8.358 4.810 8.286) 12.714 2.325 ( 21.768 16.979 8.981) 29.031 3.489 ( 3.510 16.405 -6.224) 17.893 4.039 ( 14.713 30.508 1.258) 33.894 4.305 ( 10.541 15.694 1.527) 18.966 6.446 ( -3.554 0.120 -2.145) 4.152 7.958 ( 9.498 16.240 3.544) 19.145 8.967 ( 0.002 -13.195 5.257) 14.204 10.264 ( -3.133 -2.423 -15.100) 15.610 10.611 ( -2.335 1.615 -10.227) 10.614 13.426 ( -2.877 -16.078 15.334) 22.404 14.777 ( -6.262 1.743 -19.044) 20.122 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 9.131 1.965 2.262) 9.610 2.859 ( 17.002 19.198 5.184) 26.164 3.646 ( 3.957 9.841 -5.057) 11.751 4.596 ( 10.766 28.330 1.493) 30.343 4.670 ( 19.006 12.805 -1.135) 22.945 6.386 ( -3.584 1.642 -0.901) 4.044 8.304 ( 7.927 20.051 4.557) 22.037 8.883 ( 1.423 -8.687 3.653) 9.531 10.145 ( 0.065 -5.878 -16.706) 17.710 10.509 ( -5.567 -0.672 -6.533) 8.609 13.216 ( -8.294 -21.406 14.977) 27.410 14.625 ( -5.332 3.004 -15.134) 16.325 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 8.330 -0.555 -3.951) 9.236 3.295 ( 9.609 21.257 2.054) 23.418 3.798 ( 5.278 8.524 -2.576) 10.352 4.950 ( 8.040 15.677 3.972) 18.061 5.126 ( 17.445 12.530 -7.065) 22.611 6.367 ( -1.690 3.782 2.724) 4.957 8.618 ( 2.362 21.945 5.506) 22.749 8.881 ( 5.322 -4.778 0.119) 7.153 10.001 ( -3.478 -6.644 -17.272) 18.829 10.436 ( 0.294 1.425 -2.186) 2.626 12.811 ( -18.099 -24.125 9.278) 31.554 14.590 ( 2.595 2.604 -7.138) 8.029 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 6.468 -2.606 -9.029) 11.408 3.603 ( 1.950 21.835 -1.514) 21.974 3.973 ( 5.616 8.975 1.212) 10.657 5.205 ( 5.443 10.436 1.563) 11.874 5.425 ( 11.426 5.291 -7.163) 14.486 6.426 ( 1.520 4.945 6.085) 7.987 8.840 ( -4.159 22.969 5.213) 23.918 8.964 ( 9.930 -3.723 -3.679) 11.225 9.805 ( -6.479 -3.601 -9.939) 12.399 10.535 ( 7.397 5.256 -2.921) 9.533 12.246 ( -23.706 -22.285 4.714) 32.876 14.680 ( 8.081 -1.391 -1.872) 8.411 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 4.405 -3.728 -12.442) 13.716 3.780 ( -3.470 19.825 -4.097) 20.539 4.157 ( 2.675 11.319 4.447) 12.452 5.335 ( 2.273 3.915 -3.250) 5.573 5.599 ( 7.146 3.269 -2.622) 8.284 6.535 ( 3.241 3.058 7.057) 8.346 8.978 ( -8.602 24.701 4.697) 26.574 9.102 ( 12.383 -3.457 -6.572) 14.439 9.688 ( -2.187 0.090 -2.308) 3.181 10.718 ( 7.152 7.412 -3.524) 10.886 11.657 ( -23.055 -18.495 2.988) 29.707 14.792 ( 9.259 -5.889 -0.396) 10.980 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 2.496 -3.999 -13.846) 14.627 3.851 ( -7.527 17.304 -5.114) 19.551 4.298 ( -2.373 12.970 5.854) 14.427 5.351 ( 0.308 -1.285 -5.075) 5.244 5.719 ( 4.499 2.634 -0.661) 5.255 6.624 ( 2.338 -0.415 7.258) 7.636 9.044 ( -14.345 24.769 3.727) 28.865 9.290 ( 15.946 -1.889 -5.649) 17.022 9.702 ( 1.580 2.282 0.437) 2.810 10.865 ( 2.912 6.998 -3.762) 8.462 11.175 ( -15.396 -13.352 3.026) 20.603 14.866 ( 8.334 -9.023 -0.433) 12.290 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 0.508 -3.813 -13.149) 13.700 3.826 ( -12.015 14.973 -5.550) 19.984 4.364 ( -7.152 12.571 5.754) 15.565 5.293 ( -1.563 -4.619 -4.612) 6.712 5.801 ( 3.092 1.821 -1.415) 3.857 6.644 ( -0.804 -3.972 7.814) 8.802 9.017 ( -16.677 21.346 3.734) 27.345 9.449 ( 2.902 -5.289 -7.368) 9.523 9.805 ( 9.062 6.581 1.702) 11.328 10.900 ( -5.116 4.166 -3.760) 7.594 10.984 ( 4.655 -4.705 3.548) 7.509 14.903 ( 7.536 -9.847 -0.366) 12.406 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -2.040 -3.350 -10.483) 11.193 3.694 ( -17.272 12.584 -5.751) 22.130 4.342 ( -10.310 9.810 4.302) 14.867 5.180 ( -4.070 -5.924 -3.249) 7.888 5.833 ( -0.664 0.173 -3.138) 3.212 6.580 ( -3.579 -6.294 8.485) 11.154 8.924 ( -18.102 16.232 4.375) 24.705 9.249 ( -12.839 -5.195 -6.515) 15.306 10.100 ( 15.952 4.127 -4.269) 17.021 10.836 ( -4.563 2.784 -3.246) 6.254 11.180 ( 17.181 2.448 5.134) 18.097 14.940 ( 7.924 -8.383 -0.168) 11.537 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 22.476 7.278) 23.624 1.940 ( -0.000 2.267 17.783) 17.927 3.503 ( -0.000 40.904 -4.078) 41.107 3.702 ( -0.000 6.920 -2.320) 7.298 4.152 ( -0.000 23.842 2.995) 24.030 6.517 ( 0.000 -0.346 -1.691) 1.726 7.741 ( -0.000 13.420 2.776) 13.704 8.947 ( -0.000 -12.858 5.519) 13.992 10.496 ( 0.000 7.149 -24.159) 25.195 10.525 ( 0.000 -6.081 -1.823) 6.348 13.471 ( -0.000 -16.113 13.435) 20.979 14.876 ( 0.000 5.421 -18.676) 19.447 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 3.552 3.681 9.638) 10.911 2.184 ( 16.708 18.269 9.159) 26.398 3.665 ( -5.356 16.120 -4.962) 17.696 4.028 ( 14.650 24.620 -3.459) 28.857 4.435 ( 2.395 26.814 3.841) 27.193 6.494 ( -2.159 1.169 -2.414) 3.443 7.965 ( 8.604 15.473 3.126) 17.978 8.853 ( 0.621 -11.837 6.674) 13.603 10.303 ( -9.203 -2.265 -13.674) 16.638 10.566 ( 3.677 -1.269 -10.937) 11.608 13.339 ( -1.164 -19.623 15.161) 24.825 14.828 ( -3.814 4.328 -18.177) 19.070 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 5.929 0.706 4.814) 7.670 2.726 ( 21.352 17.984 6.875) 28.751 3.730 ( -1.646 13.743 -5.458) 14.878 4.492 ( 16.726 16.913 -2.475) 23.915 4.768 ( 3.916 27.767 1.784) 28.098 6.460 ( -2.947 2.768 -1.607) 4.351 8.337 ( 13.130 19.156 4.095) 23.583 8.789 ( 1.058 -8.357 5.107) 9.851 10.083 ( -6.274 -5.000 -14.735) 16.777 10.532 ( -1.248 -2.264 -7.676) 8.100 13.144 ( -3.721 -24.128 14.954) 28.630 14.714 ( -6.810 4.436 -15.445) 17.452 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 6.506 -1.169 -0.452) 6.626 3.266 ( 18.762 18.032 5.713) 26.642 3.836 ( 0.603 13.490 -5.685) 14.651 4.891 ( 15.479 9.992 1.162) 18.461 5.088 ( 4.377 22.164 -3.575) 22.873 6.450 ( -2.129 4.813 1.082) 5.373 8.740 ( 5.147 6.406 6.522) 10.491 8.795 ( 7.627 11.895 0.387) 14.135 9.904 ( -1.642 -6.329 -15.485) 16.809 10.455 ( -2.499 -0.657 -4.001) 4.762 12.829 ( -9.781 -27.185 11.116) 30.956 14.609 ( -4.401 3.734 -9.487) 11.105 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 5.643 -2.571 -4.850) 7.872 3.734 ( 11.780 20.450 4.392) 24.005 3.969 ( 2.825 11.908 -4.702) 13.111 5.221 ( 12.239 7.526 4.354) 15.013 5.294 ( 2.842 12.072 -8.341) 14.946 6.490 ( -0.547 5.614 3.970) 6.897 8.783 ( 5.315 -3.311 -2.851) 6.880 9.130 ( 1.151 24.218 6.687) 25.151 9.803 ( -0.054 -1.743 -12.471) 12.592 10.454 ( 4.065 2.139 -2.691) 5.324 12.373 ( -16.567 -26.081 6.276) 31.530 14.578 ( 1.113 -0.311 -3.604) 3.784 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 4.174 -3.049 -7.986) 9.513 4.028 ( -2.718 22.139 -4.248) 22.706 4.180 ( 9.999 10.989 4.585) 15.548 5.361 ( -1.195 6.380 -6.710) 9.336 5.485 ( 10.196 4.155 1.848) 11.164 6.554 ( 0.675 3.182 5.491) 6.382 8.854 ( 8.895 -2.945 -6.353) 11.321 9.357 ( -2.830 22.978 7.538) 24.348 9.755 ( -4.741 5.731 -5.991) 9.550 10.613 ( 10.633 4.854 -3.805) 12.292 11.839 ( -19.927 -22.139 3.296) 29.968 14.598 ( 5.357 -5.908 -0.732) 8.009 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.639 -2.578 -9.553) 10.240 4.125 ( -5.942 18.209 -6.143) 20.115 4.457 ( 3.894 15.151 7.558) 17.374 5.339 ( -2.388 0.843 -6.803) 7.259 5.660 ( 5.958 3.063 0.753) 6.741 6.605 ( 1.562 -1.108 6.281) 6.567 8.990 ( 12.886 -2.278 -6.222) 14.490 9.560 ( -7.520 28.892 6.945) 30.652 9.712 ( -2.898 4.219 -2.108) 5.536 10.816 ( 8.005 4.613 -3.932) 10.041 11.329 ( -18.073 -16.558 1.822) 24.578 14.627 ( 7.510 -10.352 -0.187) 12.790 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 1.087 -1.440 -9.361) 9.533 4.141 ( -9.392 15.982 -6.349) 19.594 4.640 ( -4.245 16.558 8.181) 18.951 5.257 ( -2.463 -4.194 -5.980) 7.708 5.760 ( 3.441 2.127 -1.441) 4.294 6.623 ( 1.086 -5.076 6.968) 8.689 9.179 ( 13.176 -1.822 -5.792) 14.508 9.563 ( -16.823 16.207 0.680) 23.370 9.852 ( 2.084 17.561 4.207) 18.177 10.886 ( 0.851 -7.663 1.245) 7.810 11.002 ( -6.548 -1.111 -3.031) 7.300 14.652 ( 8.663 -11.952 -0.333) 14.765 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -0.753 0.143 -7.400) 7.439 4.068 ( -13.891 13.612 -6.330) 20.453 4.674 ( -12.698 13.714 5.702) 19.541 5.153 ( -1.254 -6.122 -3.216) 7.028 5.814 ( 1.872 1.294 -3.647) 4.299 6.585 ( -1.309 -7.635 7.629) 10.873 9.292 ( 2.280 -2.695 -8.401) 9.113 9.385 ( -17.710 9.469 3.342) 20.359 10.041 ( -0.877 17.520 -0.591) 17.552 10.915 ( -1.668 -0.410 0.091) 1.720 10.934 ( 10.632 -2.901 1.467) 11.118 14.694 ( 9.699 -10.459 -0.549) 14.275 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.000 -0.307 10.798) 10.802 2.256 ( -0.000 21.559 5.823) 22.331 3.825 ( -0.000 7.337 -2.430) 7.729 4.134 ( -0.000 27.888 -4.878) 28.311 4.705 ( -0.000 29.111 2.206) 29.195 6.519 ( 0.000 2.156 -3.022) 3.713 8.037 ( -0.000 14.339 2.742) 14.598 8.776 ( -0.000 -8.290 7.944) 11.481 10.377 ( 0.000 -2.417 -21.269) 21.405 10.409 ( 0.000 -3.971 -1.902) 4.403 13.194 ( -0.000 -23.137 15.114) 27.636 14.849 ( 0.000 5.581 -16.806) 17.708 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.569 -1.006 6.820) 7.357 2.610 ( 14.523 18.976 5.804) 24.590 3.871 ( -1.642 9.926 -3.426) 10.628 4.442 ( 8.589 19.671 -2.065) 21.564 4.997 ( 1.352 26.897 -0.467) 26.935 6.520 ( -1.468 3.467 -2.838) 4.715 8.287 ( 11.842 14.689 2.677) 19.057 8.742 ( -0.287 -4.292 7.373) 8.536 10.137 ( -10.161 -4.566 -14.138) 18.000 10.451 ( 4.415 -2.607 -6.579) 8.341 12.991 ( -1.651 -26.717 14.057) 30.234 14.812 ( -4.518 5.919 -14.234) 16.064 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 4.246 -1.905 2.922) 5.495 3.104 ( 20.396 16.023 5.512) 26.516 3.955 ( 0.114 12.924 -4.606) 13.721 4.765 ( 11.350 12.162 0.688) 16.650 5.250 ( 1.126 21.151 -3.197) 21.421 6.530 ( -1.316 5.254 -1.257) 5.560 8.716 ( 13.275 9.473 0.730) 16.325 8.735 ( 5.399 6.136 6.481) 10.431 9.882 ( -8.117 -4.975 -12.464) 15.684 10.455 ( 0.417 -0.148 -4.707) 4.727 12.712 ( -4.743 -29.248 11.265) 31.699 14.722 ( -7.056 5.206 -9.959) 13.269 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 4.439 -2.515 -0.352) 5.114 3.616 ( 20.396 13.395 5.399) 24.992 4.087 ( 0.621 16.250 -5.489) 17.163 5.061 ( 12.514 6.219 1.873) 14.099 5.411 ( -0.876 14.299 -4.335) 14.968 6.569 ( -0.760 5.933 0.802) 6.035 8.719 ( -0.417 0.345 -0.726) 0.905 9.240 ( 16.735 19.614 5.192) 26.301 9.714 ( -0.699 -2.885 -10.890) 11.288 10.446 ( -0.900 2.862 -3.035) 4.268 12.342 ( -9.212 -29.079 7.479) 31.407 14.618 ( -6.149 2.279 -5.125) 8.323 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.691 -2.351 -2.913) 5.257 4.066 ( 16.612 9.327 4.662) 19.613 4.250 ( 0.005 20.829 -4.617) 21.335 5.306 ( 10.544 2.211 -1.485) 10.875 5.484 ( -1.594 9.151 -1.060) 9.349 6.608 ( -1.213 3.599 2.297) 4.438 8.725 ( 2.175 0.496 -4.398) 4.931 9.546 ( 0.346 9.592 5.492) 11.059 9.840 ( 10.153 15.339 -6.156) 19.398 10.487 ( 4.373 3.834 -2.921) 6.508 11.901 ( -13.338 -25.954 4.290) 29.494 14.527 ( -2.929 -2.781 -1.686) 4.377 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 2.640 -1.338 -4.570) 5.445 4.314 ( 1.687 11.826 -4.197) 12.661 4.517 ( 7.757 17.448 5.453) 19.858 5.385 ( -1.629 2.451 -6.921) 7.521 5.591 ( 5.707 3.829 2.982) 7.491 6.607 ( -1.390 -1.269 3.524) 3.995 8.789 ( 6.988 0.857 -4.820) 8.533 9.669 ( 4.170 7.333 2.063) 8.684 10.060 ( -6.849 23.604 2.026) 24.661 10.661 ( 12.026 3.086 -4.629) 13.251 11.441 ( -14.914 -20.458 2.144) 25.408 14.454 ( 1.057 -7.971 -0.271) 8.045 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.603 0.340 -5.093) 5.350 4.390 ( -4.908 13.604 -5.765) 15.568 4.810 ( 5.799 13.080 8.605) 16.696 5.299 ( -7.322 0.353 -5.475) 9.150 5.715 ( 4.306 2.960 -1.457) 5.425 6.571 ( 0.163 -6.541 5.069) 8.277 8.939 ( 11.047 1.206 -4.626) 12.037 9.796 ( -0.617 6.758 -1.656) 6.986 10.167 ( -6.998 25.036 7.905) 27.171 10.797 ( 2.409 -5.653 -2.459) 6.619 11.078 ( -8.237 -7.568 -1.707) 11.315 14.413 ( 5.200 -10.622 -0.094) 11.827 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.534 2.477 -4.340) 5.026 4.371 ( -9.756 11.951 -5.802) 16.482 5.017 ( -1.308 13.028 10.478) 16.770 5.110 ( -8.824 -5.548 -5.689) 11.874 5.784 ( 1.945 3.142 -5.253) 6.423 6.526 ( 1.213 -9.574 6.489) 11.630 9.120 ( 10.454 0.721 -6.874) 12.533 9.714 ( -13.763 4.560 -0.650) 14.514 10.370 ( -6.808 23.556 5.428) 25.114 10.692 ( 7.256 -11.471 4.314) 14.243 10.978 ( -4.214 0.076 -5.677) 7.070 14.432 ( 8.799 -9.257 -0.354) 12.777 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -0.000 -2.313 7.240) 7.600 2.686 ( -0.000 18.573 4.787) 19.179 3.947 ( 0.000 6.943 -2.640) 7.428 4.564 ( -0.000 19.037 -0.615) 19.047 5.227 ( -0.000 23.285 -2.580) 23.427 6.557 ( 0.000 4.184 -3.746) 5.616 8.310 ( -0.000 11.325 2.027) 11.505 8.756 ( -0.000 0.407 8.021) 8.031 10.142 ( 0.000 -6.485 -16.983) 18.179 10.362 ( 0.000 0.682 -1.376) 1.536 12.781 ( -0.000 -29.047 12.355) 31.565 14.867 ( 0.000 6.589 -11.916) 13.616 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 1.933 -2.693 6.021) 6.873 2.986 ( 12.796 15.638 4.567) 20.716 4.022 ( 2.101 8.182 -3.281) 9.063 4.768 ( 4.184 14.023 1.568) 14.717 5.419 ( 0.107 17.955 -4.149) 18.428 6.585 ( -0.267 5.302 -3.509) 6.364 8.543 ( 14.633 9.706 1.112) 17.595 8.792 ( -1.687 4.042 6.511) 7.847 9.943 ( -8.085 -4.896 -12.214) 15.444 10.416 ( 3.248 2.647 -2.458) 4.858 12.514 ( -2.044 -30.458 9.854) 32.077 14.851 ( -4.924 6.151 -8.676) 11.720 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 2.967 -2.573 4.352) 5.862 3.414 ( 19.060 11.967 4.521) 22.955 4.163 ( 4.806 11.555 -4.404) 13.267 4.975 ( 6.449 7.892 3.289) 10.709 5.544 ( -1.044 12.442 -4.579) 13.299 6.629 ( 0.081 5.768 -2.452) 6.268 8.792 ( -3.537 5.803 1.730) 7.012 9.000 ( 24.875 9.387 0.934) 26.604 9.741 ( -6.844 -1.980 -7.280) 10.186 10.485 ( 0.930 5.688 -1.892) 6.066 12.191 ( -4.658 -30.215 6.955) 31.353 14.763 ( -8.407 4.326 -5.111) 10.748 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 2.995 -1.881 2.536) 4.352 3.859 ( 19.341 8.185 4.507) 21.480 4.372 ( 5.687 16.152 -5.147) 17.880 5.159 ( 8.260 2.053 3.338) 9.142 5.599 ( -2.344 8.182 -3.212) 9.097 6.668 ( -0.930 4.159 -1.393) 4.484 8.768 ( -4.870 5.475 -1.368) 7.454 9.557 ( 24.856 9.307 2.762) 26.685 9.654 ( 2.124 3.125 -6.501) 7.519 10.545 ( -1.540 8.656 -0.499) 8.806 11.824 ( -7.480 -28.040 4.368) 29.347 14.623 ( -9.492 0.980 -2.205) 9.794 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 2.493 -0.591 0.743) 2.668 4.233 ( 14.883 5.695 3.171) 16.247 4.616 ( 4.586 18.304 -3.307) 19.157 5.311 ( 8.079 -1.210 0.071) 8.169 5.618 ( -1.728 5.024 0.157) 5.315 6.651 ( -3.465 0.278 -0.593) 3.527 8.756 ( -1.197 5.202 -1.819) 5.640 9.681 ( 2.502 5.689 0.845) 6.272 10.126 ( 22.996 11.758 -3.439) 26.056 10.599 ( -2.134 9.106 0.542) 9.368 11.437 ( -9.380 -23.769 2.583) 25.683 14.458 ( -7.921 -3.127 -0.579) 8.536 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 1.966 1.206 -0.684) 2.406 4.481 ( 6.308 7.076 -0.484) 9.492 4.838 ( 4.284 11.780 1.662) 12.645 5.377 ( 0.299 0.093 -3.003) 3.019 5.673 ( 3.402 3.659 1.381) 5.184 6.556 ( -4.525 -5.203 0.591) 6.921 8.828 ( 4.150 5.350 -1.162) 6.870 9.821 ( 5.144 8.061 0.052) 9.562 10.453 ( 0.449 10.166 1.866) 10.346 10.682 ( 5.332 3.236 -2.571) 6.746 11.105 ( -6.814 -13.513 1.053) 15.171 14.311 ( -3.425 -5.901 -0.055) 6.823 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 1.599 3.410 -1.422) 4.026 4.573 ( -3.367 8.210 -3.026) 9.375 4.980 ( 3.950 -0.593 1.877) 4.413 5.322 ( -6.508 2.732 2.212) 7.397 5.782 ( 2.481 7.169 -4.122) 8.634 6.431 ( -1.024 -10.369 3.219) 10.905 8.973 ( 7.144 4.911 -2.660) 9.068 9.941 ( -4.450 9.215 -1.923) 10.413 10.454 ( 3.477 -9.437 5.665) 11.543 10.686 ( -6.250 2.674 0.906) 6.858 11.023 ( -0.590 3.741 -3.446) 5.120 14.252 ( 3.246 -4.830 -0.081) 5.820 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -0.000 -2.944 8.287) 8.795 3.035 ( -0.000 13.921 3.870) 14.449 4.053 ( 0.000 5.829 -2.965) 6.539 4.878 ( -0.000 12.554 2.887) 12.882 5.558 ( 0.000 13.804 -4.822) 14.622 6.624 ( 0.000 5.519 -4.571) 7.166 8.488 ( -0.000 5.962 0.521) 5.985 8.893 ( -0.000 7.874 6.379) 10.134 9.924 ( 0.000 -4.778 -11.932) 12.853 10.418 ( -0.000 5.358 -0.056) 5.358 12.264 ( 0.000 -30.584 7.606) 31.516 14.928 ( 0.000 6.116 -6.388) 8.844 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.290 -2.429 9.062) 9.470 3.273 ( 11.660 10.678 3.712) 16.240 4.140 ( 5.191 6.330 -3.543) 8.921 5.010 ( 1.457 8.752 4.314) 9.866 5.650 ( -0.676 9.763 -4.861) 10.927 6.666 ( 0.424 5.563 -4.339) 7.068 8.679 ( 16.584 4.403 -0.720) 17.174 8.969 ( -3.947 9.779 4.194) 11.349 9.800 ( -4.996 -2.344 -7.781) 9.539 10.507 ( 2.809 6.743 0.213) 7.308 11.977 ( -2.068 -29.350 5.112) 29.864 14.918 ( -5.615 5.048 -3.816) 8.460 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.847 -1.452 8.278) 8.605 3.629 ( 17.790 7.036 4.025) 19.550 4.331 ( 10.381 8.712 -4.765) 14.366 5.120 ( 2.058 3.981 5.382) 7.004 5.693 ( -1.727 6.495 -3.953) 7.797 6.708 ( 0.021 4.488 -3.669) 5.797 8.963 ( -8.045 10.320 1.091) 13.131 9.113 ( 28.700 3.401 -2.066) 28.975 9.700 ( -3.012 1.186 -3.205) 4.556 10.628 ( 2.229 8.262 1.184) 8.639 11.663 ( -4.274 -26.851 2.855) 27.338 14.812 ( -10.282 3.069 -1.660) 10.858 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 1.873 -0.230 6.293) 6.570 4.007 ( 18.251 3.933 4.492) 19.203 4.612 ( 12.519 11.947 -6.253) 18.400 5.195 ( 3.200 -1.408 5.517) 6.532 5.697 ( -2.341 4.104 -1.793) 5.054 6.709 ( -2.628 1.851 -3.426) 4.698 8.910 ( -8.290 8.995 1.119) 12.283 9.645 ( 20.784 -0.895 1.320) 20.845 9.738 ( 13.550 9.590 -6.389) 17.788 10.738 ( -0.408 8.821 2.798) 9.263 11.337 ( -6.014 -23.238 1.322) 24.040 14.629 ( -12.786 0.639 -0.385) 12.807 ======================= Grid point 1039 (369/489) ======================= q-point: (-0.24 -0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.864 1.247 3.785) 4.400 4.337 ( 15.132 2.156 4.280) 15.872 4.889 ( 6.406 12.706 -5.864) 15.390 5.253 ( 6.959 -6.078 2.695) 9.625 5.698 ( -0.849 3.116 1.875) 3.734 6.618 ( -6.699 -2.014 -3.642) 7.886 8.899 ( -3.678 8.859 2.824) 9.999 9.780 ( 6.334 1.993 1.266) 6.759 10.252 ( 25.467 8.142 -7.945) 27.892 10.767 ( -6.102 2.206 3.001) 7.149 11.058 ( -3.463 -13.947 2.209) 14.540 14.412 ( -11.745 -0.945 0.045) 11.783 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -0.000 -1.792 12.653) 12.779 3.276 ( -0.000 8.228 3.131) 8.804 4.128 ( 0.000 4.091 -3.384) 5.309 5.097 ( -0.000 7.099 5.280) 8.847 5.721 ( 0.000 7.169 -4.864) 8.663 6.698 ( 0.000 5.336 -4.607) 7.049 8.556 ( 0.000 1.661 -1.220) 2.061 9.134 ( -0.000 12.846 3.935) 13.435 9.794 ( 0.000 -2.101 -6.839) 7.155 10.545 ( -0.000 6.346 1.530) 6.528 11.734 ( 0.000 -26.622 2.788) 26.768 15.005 ( 0.000 4.605 -2.058) 5.044 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.482 -0.865 13.636) 13.672 3.451 ( 11.154 5.027 3.259) 12.661 4.214 ( 7.426 3.846 -3.940) 9.244 5.172 ( -0.231 4.184 6.134) 7.429 5.756 ( -0.921 4.971 -4.327) 6.654 6.734 ( 0.200 4.426 -4.208) 6.110 8.715 ( 17.915 0.763 -2.223) 18.068 9.221 ( -6.745 13.404 2.470) 15.208 9.735 ( -1.951 -0.701 -3.496) 4.064 10.645 ( 3.791 5.704 2.236) 7.205 11.482 ( -2.288 -22.403 0.496) 22.525 14.986 ( -6.349 3.416 -0.542) 7.230 ======================= Grid point 1055 (372/489) ======================= q-point: (-0.29 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.583 -0.081 11.804) 11.819 3.746 ( 17.406 2.036 4.215) 18.025 4.423 ( 14.392 4.281 -5.248) 15.906 5.208 ( -1.161 0.734 6.572) 6.714 5.760 ( -1.735 3.331 -2.828) 4.702 6.747 ( -1.225 2.238 -4.315) 5.013 9.116 ( 23.891 0.168 -2.619) 24.035 9.201 ( -5.136 10.819 2.436) 12.221 9.726 ( 1.296 2.969 -1.669) 3.644 10.781 ( 4.348 4.952 3.557) 7.488 11.227 ( -4.890 -17.160 -1.508) 17.907 14.857 ( -11.764 2.018 0.304) 11.939 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.939 0.631 8.283) 8.359 4.078 ( 18.210 -0.287 5.380) 18.990 4.725 ( 18.162 4.247 -7.463) 20.090 5.190 ( -2.380 -3.309 6.345) 7.542 5.752 ( -1.570 2.595 0.284) 3.046 6.688 ( -4.842 -1.003 -5.329) 7.270 9.119 ( -8.809 9.402 5.406) 13.973 9.572 ( 19.734 -6.422 -0.986) 20.776 9.898 ( 17.947 9.636 -4.284) 20.816 10.877 ( -2.180 2.263 2.942) 4.304 10.991 ( -3.568 -10.203 -0.927) 10.849 14.647 ( -14.516 1.374 0.467) 14.588 ======================= Grid point 1071 (374/489) ======================= q-point: (-0.35 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -0.000 -0.240 16.904) 16.906 3.398 ( -0.000 2.135 2.736) 3.471 4.161 ( 0.000 1.913 -3.801) 4.255 5.232 ( -0.000 2.465 6.715) 7.153 5.790 ( 0.000 3.668 -4.181) 5.561 6.758 ( 0.000 3.533 -4.089) 5.404 8.550 ( 0.000 -0.578 -2.551) 2.616 9.433 ( -0.000 14.292 2.826) 14.569 9.724 ( 0.000 -1.854 -2.085) 2.790 10.659 ( -0.000 3.185 2.716) 4.185 11.313 ( 0.000 -15.667 -1.862) 15.777 15.072 ( -0.000 2.791 0.462) 2.828 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -0.661 -0.094 16.375) 16.388 3.515 ( 11.494 -0.777 3.332) 11.992 4.232 ( 8.389 0.997 -4.241) 9.453 5.260 ( -1.178 -0.025 6.815) 6.916 5.800 ( -0.842 2.674 -3.113) 4.190 6.764 ( -0.583 1.311 -4.523) 4.745 8.689 ( 18.105 -1.295 -3.164) 18.425 9.471 ( -7.885 4.951 4.278) 10.246 9.734 ( 0.123 5.825 -0.823) 5.884 10.736 ( 5.050 1.187 3.524) 6.271 11.164 ( -3.028 -7.647 -3.916) 9.109 15.039 ( -6.800 1.938 0.927) 7.131 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -0.796 -0.487 12.527) 12.561 3.769 ( 18.165 -3.076 4.975) 19.084 4.422 ( 15.318 -0.446 -5.166) 16.172 5.236 ( -2.867 -2.665 5.876) 7.060 5.799 ( -1.108 2.202 -0.572) 2.530 6.717 ( -2.736 -2.022 -5.940) 6.845 9.058 ( 27.056 -3.387 -4.026) 27.562 9.369 ( -7.079 -0.876 7.443) 10.309 9.817 ( 1.777 9.469 -0.549) 9.650 10.852 ( 5.860 -0.943 4.800) 7.634 11.035 ( -6.601 1.257 -5.555) 8.719 14.896 ( -12.180 1.693 0.822) 12.324 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -0.000 -0.521 18.320) 18.327 3.399 ( -0.000 -4.056 2.799) 4.928 4.148 ( 0.000 -0.320 -4.070) 4.083 5.284 ( -0.000 -2.184 6.652) 7.001 5.819 ( 0.000 1.943 -2.311) 3.019 6.756 ( 0.000 -0.906 -5.226) 5.304 8.505 ( 0.000 -1.888 -3.220) 3.732 9.496 ( -0.000 -11.463 4.353) 12.262 9.888 ( -0.000 19.396 1.391) 19.446 10.695 ( -0.000 -1.688 3.229) 3.644 11.146 ( 0.000 1.605 -5.147) 5.392 15.118 ( -0.000 1.451 1.058) 1.796 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -2.149 -1.896 15.882) 16.139 3.468 ( 12.727 -6.641 3.938) 14.886 4.195 ( 8.117 -1.587 -4.252) 9.300 5.260 ( -1.594 -4.686 5.506) 7.404 5.826 ( -0.318 1.003 -0.161) 1.064 6.701 ( -1.444 -3.943 -6.777) 7.973 8.623 ( 17.159 -3.164 -3.570) 17.810 9.367 ( -0.959 -14.759 5.688) 15.846 10.028 ( -6.701 19.367 2.396) 20.633 10.743 ( 6.291 -2.563 3.568) 7.674 11.155 ( -3.316 9.679 -5.501) 11.616 15.076 ( -6.720 1.396 0.660) 6.895 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -0.000 -3.673 16.850) 17.246 3.281 ( 0.000 -10.196 3.378) 10.741 4.093 ( 0.000 -2.239 -4.133) 4.700 5.233 ( -0.000 -7.253 4.424) 8.496 5.826 ( -0.000 -1.993 1.332) 2.397 6.641 ( 0.000 -5.396 -8.039) 9.682 8.431 ( 0.000 -3.565 -3.147) 4.756 9.227 ( 0.000 -17.753 5.325) 18.535 10.328 ( -0.000 22.780 3.494) 23.046 10.645 ( -0.000 -5.330 3.008) 6.121 11.290 ( -0.000 15.797 -4.590) 16.450 15.147 ( -0.000 1.374 -0.093) 1.377 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.000 0.000 17.894) 17.894 0.901 ( -0.000 0.000 17.894) 17.894 1.685 ( -0.000 0.000 34.573) 34.573 3.453 ( 0.000 -0.000 -3.090) 3.090 3.453 ( 0.000 -0.000 -3.090) 3.090 7.307 ( -0.000 0.000 2.227) 2.227 7.307 ( -0.000 0.000 2.227) 2.227 7.695 ( 0.000 -0.000 -12.294) 12.294 10.770 ( 0.000 -0.000 -1.381) 1.381 10.770 ( 0.000 -0.000 -1.381) 1.381 13.840 ( -0.000 0.000 4.985) 4.985 14.310 ( 0.000 -0.000 -2.550) 2.550 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 17.635 10.182 12.876) 24.092 1.266 ( 25.644 14.806 14.639) 33.032 1.907 ( 11.456 6.614 27.333) 30.366 3.429 ( 0.425 0.245 -3.222) 3.259 3.574 ( 9.598 5.541 -2.927) 11.463 6.784 ( -17.331 -10.006 3.510) 20.318 7.375 ( 4.768 2.753 2.298) 5.966 8.598 ( 45.918 26.511 -20.822) 56.964 10.524 ( -17.232 -9.949 -3.003) 20.123 10.722 ( -3.304 -1.908 -1.424) 4.073 13.812 ( -3.947 -2.279 6.143) 7.649 14.560 ( 17.353 10.019 -11.857) 23.283 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 20.429 11.795 7.656) 24.801 1.772 ( 12.958 7.481 16.970) 22.625 2.515 ( 35.458 20.471 11.047) 42.407 3.450 ( 2.360 1.362 -2.655) 3.805 3.843 ( 14.783 8.535 -2.006) 17.188 6.543 ( -6.924 -3.998 0.177) 7.997 7.534 ( 8.536 4.928 2.385) 10.141 9.249 ( 12.784 7.381 -5.734) 15.836 10.219 ( -1.695 -0.979 -17.154) 17.265 10.619 ( -5.105 -2.948 -1.464) 6.074 13.726 ( -5.639 -3.256 9.253) 11.315 14.782 ( 5.562 3.211 -18.042) 19.151 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 10.154 5.863 10.666) 15.851 2.207 ( 19.942 11.513 3.282) 23.259 3.403 ( 38.507 22.232 4.447) 44.686 3.514 ( 3.956 2.284 -1.334) 4.759 4.210 ( 18.094 10.447 -0.881) 20.912 6.420 ( -4.278 -2.470 -1.826) 5.266 7.765 ( 11.015 6.359 2.551) 12.972 9.217 ( -9.007 -5.200 6.230) 12.124 10.292 ( 8.742 5.047 -25.172) 27.120 10.497 ( -4.876 -2.815 -1.575) 5.846 13.637 ( -6.314 -3.646 14.366) 16.110 14.699 ( -5.311 -3.066 -19.760) 20.690 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.592 5.538 2.236) 11.300 2.636 ( 17.559 10.138 -0.357) 20.278 3.614 ( 4.973 2.871 0.622) 5.776 4.199 ( 30.149 17.407 1.546) 34.847 4.645 ( 20.883 12.057 -0.984) 24.134 6.332 ( -2.941 -1.698 -1.128) 3.578 8.028 ( 11.055 6.383 2.860) 13.082 9.064 ( -5.133 -2.964 5.413) 8.027 10.287 ( -2.098 -1.211 -22.198) 22.330 10.408 ( -2.114 -1.221 -1.870) 3.075 13.472 ( -15.543 -8.974 15.223) 23.534 14.527 ( -1.153 -0.666 -16.226) 16.281 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 7.575 4.374 -5.565) 10.368 2.986 ( 14.063 8.120 -3.032) 16.520 3.737 ( 5.284 3.051 2.776) 6.704 4.748 ( 18.977 10.957 1.380) 21.957 5.110 ( 19.776 11.417 -4.526) 23.279 6.296 ( -0.027 -0.016 2.466) 2.466 8.260 ( 8.180 4.723 3.234) 9.983 9.041 ( 1.740 1.004 2.826) 3.467 10.075 ( -9.181 -5.301 -17.521) 20.479 10.403 ( 2.449 1.414 -2.360) 3.683 13.011 ( -27.648 -15.962 7.593) 32.815 14.583 ( 8.382 4.839 -5.847) 11.308 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 4.751 2.743 -12.046) 13.237 3.244 ( 10.034 5.793 -4.374) 12.385 3.865 ( 4.846 2.798 4.454) 7.152 5.098 ( 12.205 7.046 0.708) 14.110 5.443 ( 11.500 6.639 -6.768) 14.904 6.362 ( 4.446 2.567 6.363) 8.176 8.409 ( 4.041 2.333 3.422) 5.786 9.146 ( 6.825 3.941 -1.289) 7.986 9.815 ( -8.271 -4.775 -9.904) 13.759 10.495 ( 6.086 3.514 -2.832) 7.576 12.365 ( -30.154 -17.409 3.514) 34.995 14.788 ( 9.623 5.556 -0.916) 11.150 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 2.223 1.283 -16.641) 16.838 3.406 ( 5.774 3.334 -4.470) 8.027 3.980 ( 3.663 2.115 5.245) 6.738 5.304 ( 6.447 3.722 -2.311) 7.795 5.611 ( 6.113 3.529 -3.329) 7.804 6.511 ( 5.795 3.346 7.098) 9.754 8.474 ( 0.956 0.552 3.337) 3.514 9.313 ( 8.859 5.115 -5.942) 11.830 9.682 ( -1.570 -0.906 -0.944) 2.044 10.629 ( 6.175 3.565 -3.112) 7.780 11.732 ( -26.280 -15.172 2.771) 30.471 14.974 ( 6.784 3.917 -0.213) 7.836 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.440 0.254 -18.939) 18.946 3.471 ( 1.286 0.743 -3.990) 4.257 4.062 ( 1.903 1.099 5.291) 5.729 5.378 ( 1.534 0.885 -4.782) 5.099 5.721 ( 4.299 2.482 0.134) 4.965 6.642 ( 3.202 1.849 6.859) 7.792 8.487 ( -0.667 -0.385 3.175) 3.267 9.520 ( 11.637 6.718 -5.219) 14.415 9.691 ( 0.646 0.373 0.963) 1.218 10.725 ( 2.934 1.694 -3.220) 4.675 11.253 ( -15.911 -9.186 3.517) 18.707 15.085 ( 3.235 1.868 -0.630) 3.788 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -1.084 -0.626 -18.923) 18.964 3.433 ( -3.590 -2.073 -3.562) 5.466 4.100 ( -0.069 -0.040 4.872) 4.873 5.349 ( -2.511 -1.450 -4.989) 5.770 5.804 ( 2.847 1.644 0.148) 3.291 6.689 ( -1.358 -0.784 7.318) 7.484 8.471 ( -1.664 -0.961 3.113) 3.659 9.544 ( -9.370 -5.410 -4.615) 11.763 9.896 ( 17.792 10.272 -0.108) 20.544 10.729 ( -1.501 -0.866 -3.193) 3.633 11.097 ( 1.039 0.600 3.954) 4.132 15.127 ( 1.079 0.623 -0.533) 1.355 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -0.000 9.153 15.327) 17.852 1.507 ( -0.000 29.642 16.255) 33.806 2.011 ( -0.000 13.944 22.870) 26.786 3.489 ( 0.000 4.063 -3.017) 5.060 3.500 ( -0.000 8.756 -2.892) 9.222 6.802 ( 0.000 -19.914 2.770) 20.106 7.363 ( -0.000 4.683 2.334) 5.232 8.520 ( 0.000 49.641 -17.925) 52.779 10.536 ( 0.000 -16.209 -4.122) 16.725 10.734 ( 0.000 -3.048 -1.459) 3.379 13.829 ( -0.000 -4.925 6.363) 8.046 14.509 ( 0.000 17.105 -10.353) 19.994 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 23.250 11.165 10.152) 27.718 1.835 ( 4.129 13.285 21.054) 25.235 2.394 ( 13.975 31.385 8.008) 35.276 3.486 ( -1.765 7.186 -2.229) 7.728 3.712 ( 10.485 11.048 -2.025) 15.366 6.601 ( -5.645 -7.988 0.708) 9.807 7.484 ( 5.676 7.366 2.394) 9.602 9.040 ( 17.059 20.556 -9.874) 28.479 10.272 ( -9.901 -6.340 -11.812) 16.666 10.663 ( -3.250 -3.241 -1.649) 4.878 13.776 ( -2.400 -6.426 8.486) 10.912 14.678 ( 5.555 9.325 -15.536) 18.952 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 17.276 9.003 6.235) 20.454 2.103 ( 10.050 11.058 14.457) 20.792 3.061 ( 25.063 25.952 0.252) 36.079 3.578 ( 2.439 14.938 0.334) 15.140 4.036 ( 14.621 12.368 -0.757) 19.166 6.466 ( -4.547 -2.901 -1.246) 5.535 7.702 ( 8.318 10.895 2.531) 13.939 9.234 ( 0.868 -9.228 5.396) 10.725 10.148 ( 2.009 6.593 -22.618) 23.645 10.566 ( -4.555 -0.852 -2.653) 5.340 13.701 ( -2.651 -7.338 12.658) 14.869 14.689 ( -2.825 0.641 -18.764) 18.986 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 9.067 3.549 4.334) 10.657 2.515 ( 14.559 17.495 3.357) 23.007 3.501 ( 11.360 3.493 -1.824) 12.024 4.013 ( 19.451 30.519 1.314) 36.215 4.430 ( 17.964 12.268 0.212) 21.754 6.374 ( -3.729 -0.829 -1.126) 3.982 7.980 ( 8.588 14.001 2.856) 16.671 9.098 ( -3.909 -10.597 6.288) 12.927 10.164 ( 3.251 -1.564 -20.130) 20.450 10.477 ( -5.164 1.282 -3.911) 6.604 13.604 ( -6.316 -12.077 15.953) 20.982 14.525 ( -5.743 0.313 -18.461) 19.336 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 7.953 1.846 -2.786) 8.627 2.906 ( 10.503 18.165 -1.229) 21.019 3.678 ( 7.272 3.748 1.192) 8.267 4.591 ( 16.869 20.649 -0.486) 26.668 4.875 ( 20.121 12.083 -1.257) 23.504 6.325 ( -1.830 1.156 1.554) 2.665 8.261 ( 5.682 15.479 3.328) 16.821 9.003 ( 0.871 -6.181 3.273) 7.048 10.064 ( -2.845 -5.795 -17.769) 18.906 10.404 ( -2.225 1.191 -2.216) 3.358 13.275 ( -20.017 -19.579 9.296) 29.503 14.486 ( 4.637 4.663 -8.622) 10.844 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 6.050 -0.012 -9.370) 11.153 3.209 ( 6.134 17.096 -3.729) 18.542 3.840 ( 5.627 5.457 3.530) 8.597 4.982 ( 11.681 12.221 -1.278) 16.954 5.273 ( 15.002 8.310 -3.441) 17.491 6.360 ( 1.867 3.575 5.281) 6.645 8.476 ( 0.456 15.189 3.668) 15.632 9.029 ( 6.616 -3.111 -0.749) 7.349 9.860 ( -6.904 -5.481 -11.534) 14.517 10.437 ( 4.026 3.701 -2.336) 5.947 12.682 ( -27.444 -20.770 3.361) 34.581 14.652 ( 10.342 3.513 -1.281) 10.997 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 3.908 -1.485 -14.344) 14.941 3.419 ( 1.964 15.024 -4.551) 15.821 3.992 ( 3.223 7.022 4.849) 9.122 5.221 ( 7.218 6.262 -4.330) 10.491 5.519 ( 8.672 4.501 -0.954) 9.817 6.482 ( 4.705 4.353 6.762) 9.317 8.599 ( -4.452 14.839 3.714) 15.931 9.141 ( 10.334 -1.858 -5.078) 11.663 9.702 ( -3.269 -2.246 -2.908) 4.918 10.569 ( 6.048 6.244 -3.018) 9.202 12.029 ( -27.145 -18.605 1.851) 32.961 14.847 ( 10.076 0.202 0.305) 10.082 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 2.233 -2.221 -17.170) 17.456 3.535 ( -2.226 12.593 -4.416) 13.529 4.112 ( 0.137 7.842 5.259) 9.443 5.326 ( 3.374 1.659 -6.497) 7.506 5.671 ( 5.265 2.795 1.949) 6.271 6.622 ( 4.305 2.723 6.421) 8.196 8.651 ( -8.042 15.176 3.522) 17.533 9.308 ( 13.774 -0.627 -5.629) 14.893 9.684 ( 1.172 0.269 1.251) 1.735 10.709 ( 3.516 6.798 -3.393) 8.372 11.459 ( -20.844 -14.525 2.433) 25.522 14.983 ( 7.576 -2.959 -0.248) 8.137 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 0.973 -2.494 -17.647) 17.849 3.555 ( -6.857 10.140 -4.104) 12.911 4.182 ( -2.952 7.574 5.021) 9.554 5.332 ( 0.163 -1.455 -6.413) 6.578 5.771 ( 3.407 1.588 1.913) 4.218 6.707 ( 1.305 -0.153 6.273) 6.409 8.654 ( -10.155 14.777 3.373) 18.245 9.522 ( 9.086 -3.146 -5.238) 10.949 9.724 ( 5.617 2.993 1.068) 6.453 10.775 ( -1.619 5.531 -3.785) 6.895 11.121 ( -6.252 -7.184 4.125) 10.378 15.049 ( 5.283 -4.901 -0.764) 7.247 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 18.105 11.334) 21.360 1.969 ( -0.000 4.082 23.603) 23.953 2.662 ( -0.000 41.569 -0.100) 41.569 3.565 ( 0.000 5.948 -3.046) 6.683 3.751 ( -0.000 17.873 0.202) 17.875 6.573 ( 0.000 -6.635 -0.148) 6.637 7.522 ( -0.000 9.755 2.510) 10.072 9.058 ( -0.000 11.391 -2.532) 11.669 10.272 ( 0.000 0.079 -17.507) 17.507 10.636 ( 0.000 -5.606 -1.630) 5.838 13.751 ( -0.000 -8.776 9.770) 13.133 14.676 ( 0.000 9.161 -15.805) 18.268 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 16.070 17.281 7.531) 24.771 2.103 ( 4.972 2.001 19.103) 19.841 3.112 ( 5.679 36.587 -4.247) 37.268 3.660 ( 4.907 12.301 -1.564) 13.336 4.000 ( 6.390 19.208 1.425) 20.293 6.497 ( -2.792 -2.674 -1.492) 4.144 7.698 ( 6.643 12.566 2.611) 14.452 9.118 ( 2.845 -8.932 6.435) 11.370 10.182 ( -5.528 7.034 -21.675) 23.448 10.579 ( -0.090 -3.404 -3.081) 4.592 13.686 ( -0.913 -10.844 12.767) 16.776 14.681 ( -1.414 4.090 -18.062) 18.573 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 7.208 4.844 4.902) 9.973 2.433 ( 17.992 14.449 10.681) 25.427 3.426 ( 4.090 15.860 -5.557) 17.296 4.037 ( 15.513 27.490 -1.316) 31.592 4.327 ( 9.766 17.900 2.388) 20.530 6.426 ( -3.306 -0.054 -1.638) 3.690 7.993 ( 9.764 16.759 2.937) 19.617 9.037 ( -0.720 -13.891 7.775) 15.935 10.079 ( -2.870 0.718 -18.731) 18.963 10.534 ( -2.057 -0.482 -4.870) 5.309 13.591 ( -2.182 -15.449 15.697) 22.132 14.576 ( -5.939 2.690 -18.763) 19.864 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 6.281 0.972 0.074) 6.357 2.913 ( 14.107 19.946 4.488) 24.839 3.601 ( 5.903 8.501 -3.112) 10.807 4.575 ( 14.966 26.644 -4.158) 30.841 4.686 ( 13.920 13.427 3.146) 19.595 6.383 ( -2.383 2.200 0.334) 3.260 8.348 ( 8.188 21.035 3.645) 22.865 8.927 ( -0.052 -10.200 4.410) 11.112 9.965 ( -0.729 -5.153 -16.271) 17.083 10.459 ( -3.844 -0.532 -3.390) 5.153 13.362 ( -10.506 -22.683 12.054) 27.753 14.476 ( -2.002 5.432 -12.346) 13.637 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 5.380 -0.878 -5.453) 7.710 3.305 ( 6.603 22.830 -0.413) 23.769 3.787 ( 8.021 6.737 0.645) 10.495 4.958 ( 7.446 18.032 -3.635) 19.844 5.083 ( 16.794 9.471 0.250) 19.282 6.401 ( 0.008 4.484 3.600) 5.750 8.671 ( 2.048 23.385 4.376) 23.879 8.883 ( 3.977 -6.904 0.106) 7.968 9.838 ( -1.860 -5.584 -13.005) 14.275 10.415 ( 0.603 1.292 -1.734) 2.245 12.887 ( -20.685 -24.407 4.872) 32.362 14.533 ( 5.773 3.470 -3.417) 7.552 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 3.785 -2.047 -9.953) 10.843 3.574 ( 0.323 22.266 -3.954) 22.616 4.003 ( 7.373 8.584 4.199) 12.070 5.177 ( 4.567 9.973 -6.436) 12.718 5.398 ( 11.666 5.664 1.897) 13.106 6.489 ( 2.515 5.011 5.702) 7.996 8.879 ( -1.277 15.877 0.687) 15.943 8.938 ( 5.092 2.894 0.373) 5.869 9.719 ( -2.890 -2.379 -6.154) 7.203 10.506 ( 6.885 4.794 -2.525) 8.761 12.279 ( -24.665 -21.965 1.640) 33.068 14.671 ( 9.112 -1.500 0.166) 9.236 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 2.278 -2.280 -12.825) 13.223 3.731 ( -3.635 19.422 -5.044) 20.393 4.213 ( 2.978 11.932 5.806) 13.600 5.271 ( 2.363 3.530 -7.702) 8.796 5.607 ( 7.023 3.375 3.075) 8.377 6.604 ( 3.521 3.012 5.992) 7.575 9.016 ( 1.532 13.546 0.067) 13.633 9.051 ( 1.102 8.108 -0.585) 8.204 9.672 ( 0.243 0.152 -0.562) 0.631 10.681 ( 7.056 7.064 -3.388) 10.543 11.679 ( -22.900 -18.242 1.191) 29.302 14.791 ( 9.146 -6.108 0.301) 11.003 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 1.129 -1.761 -13.718) 13.877 3.796 ( -7.307 16.649 -5.077) 18.877 4.363 ( -2.813 13.798 6.054) 15.328 5.283 ( 0.866 -0.946 -7.178) 7.291 5.731 ( 4.087 1.463 2.326) 4.925 6.694 ( 2.542 -0.102 5.802) 6.335 9.083 ( -14.154 23.694 3.495) 27.821 9.237 ( 15.279 -1.186 -4.289) 15.913 9.711 ( 1.977 2.417 1.122) 3.318 10.823 ( 2.562 6.812 -4.058) 8.333 11.205 ( -14.204 -13.351 2.517) 19.655 14.861 ( 8.093 -9.030 -0.427) 12.134 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.000 20.858 8.811) 22.643 2.121 ( -0.000 -1.362 15.741) 15.799 3.454 ( -0.000 39.481 -4.663) 39.755 3.672 ( 0.000 7.168 -3.163) 7.835 4.183 ( -0.000 24.901 2.714) 25.048 6.495 ( 0.000 -1.122 -2.363) 2.616 7.769 ( -0.000 13.517 2.509) 13.748 9.025 ( -0.000 -11.839 9.327) 15.072 10.244 ( 0.000 7.756 -23.116) 24.383 10.506 ( 0.000 -6.174 -1.734) 6.413 13.618 ( -0.000 -14.430 14.298) 20.314 14.678 ( 0.000 5.079 -18.418) 19.105 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 2.354 6.057 6.749) 9.369 2.299 ( 15.721 12.041 11.436) 22.868 3.612 ( -6.271 17.367 -4.787) 19.075 3.994 ( 15.201 23.594 -2.695) 28.196 4.467 ( 2.526 26.292 2.064) 26.493 6.466 ( -1.845 0.821 -2.779) 3.435 7.995 ( 8.884 15.583 2.475) 18.107 8.941 ( -0.136 -12.322 9.741) 15.708 10.129 ( -8.168 1.051 -17.826) 19.637 10.488 ( 3.050 -3.217 -4.588) 6.380 13.502 ( -0.927 -19.401 15.534) 24.870 14.634 ( -3.679 5.607 -18.206) 19.402 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 3.457 0.157 3.218) 4.726 2.807 ( 20.689 16.553 7.910) 27.651 3.674 ( -2.067 14.051 -4.999) 15.056 4.472 ( 16.948 18.546 -1.219) 25.153 4.778 ( 3.666 25.091 0.021) 25.358 6.443 ( -1.805 2.946 -1.619) 3.815 8.373 ( 13.909 19.378 2.677) 24.003 8.854 ( -0.884 -9.492 7.014) 11.835 9.926 ( -6.640 -3.702 -14.092) 16.012 10.470 ( -0.323 -2.287 -4.301) 4.882 13.295 ( -4.695 -25.443 13.264) 29.075 14.556 ( -5.115 7.007 -14.058) 16.519 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.808 -1.188 -0.989) 4.110 3.328 ( 17.517 18.386 5.487) 25.980 3.781 ( 1.247 12.613 -4.479) 13.443 4.898 ( 16.096 11.535 0.207) 19.803 5.055 ( 3.104 20.103 -2.436) 20.487 6.461 ( -0.368 5.058 0.888) 5.148 8.782 ( 0.601 -5.409 1.143) 5.561 8.823 ( 10.972 22.824 4.892) 25.792 9.758 ( -2.117 -5.247 -11.577) 12.885 10.421 ( -1.377 -0.730 -2.450) 2.903 12.929 ( -12.053 -28.000 7.420) 31.375 14.522 ( -1.513 5.344 -6.618) 8.640 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.945 -1.824 -4.593) 5.752 3.762 ( 6.542 23.646 0.169) 24.535 3.941 ( 8.043 8.570 0.229) 11.755 5.198 ( 5.675 9.592 -7.005) 13.164 5.279 ( 8.598 10.157 3.997) 13.895 6.528 ( 1.021 5.320 3.136) 6.259 8.754 ( 3.271 -4.601 -2.530) 6.187 9.203 ( 1.739 25.633 6.782) 26.572 9.688 ( 1.825 -1.194 -9.069) 9.328 10.430 ( 3.833 1.602 -1.812) 4.532 12.421 ( -18.272 -25.880 2.800) 31.804 14.551 ( 3.006 -0.090 -1.367) 3.304 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 1.766 -1.558 -7.221) 7.595 3.972 ( -3.275 20.718 -5.714) 21.739 4.244 ( 10.876 12.632 6.585) 17.923 5.277 ( -0.525 6.112 -7.743) 9.878 5.522 ( 8.672 4.467 4.025) 10.553 6.606 ( 1.748 2.706 4.298) 5.371 8.798 ( 8.186 -3.302 -4.107) 9.735 9.440 ( -3.398 23.647 8.051) 25.210 9.697 ( -2.146 6.245 -5.115) 8.353 10.576 ( 10.168 4.162 -3.038) 11.399 11.861 ( -20.570 -21.756 0.796) 29.952 14.596 ( 5.839 -6.126 0.295) 8.468 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.817 -0.461 -8.529) 8.581 4.061 ( -5.834 17.796 -5.625) 19.554 4.538 ( 3.916 16.202 7.460) 18.262 5.263 ( -2.195 1.373 -7.126) 7.582 5.677 ( 5.059 1.667 1.957) 5.675 6.665 ( 2.270 -1.179 4.905) 5.532 8.936 ( 12.711 -2.426 -3.823) 13.494 9.629 ( -12.676 30.270 5.184) 33.224 9.698 ( 2.678 3.329 0.166) 4.276 10.774 ( 8.203 4.509 -3.829) 10.113 11.342 ( -17.952 -16.849 0.409) 24.624 14.626 ( 7.333 -10.463 0.072) 12.778 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.000 -2.504 9.568) 9.890 2.325 ( -0.000 20.350 7.215) 21.591 3.794 ( 0.000 7.567 -3.356) 8.278 4.098 ( -0.000 29.099 -1.875) 29.159 4.717 ( -0.000 27.393 0.006) 27.393 6.482 ( 0.000 1.865 -3.858) 4.285 8.062 ( -0.000 14.286 2.032) 14.430 8.876 ( -0.000 -9.001 10.666) 13.957 10.163 ( 0.000 -0.896 -18.582) 18.604 10.391 ( 0.000 -3.929 -1.470) 4.195 13.354 ( -0.000 -23.935 14.900) 28.194 14.670 ( 0.000 7.744 -16.762) 18.464 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.659 -1.646 6.455) 6.694 2.679 ( 14.932 17.467 7.094) 24.050 3.831 ( -2.391 10.298 -3.981) 11.297 4.435 ( 9.063 20.906 0.769) 22.799 4.982 ( 1.202 25.009 -2.274) 25.141 6.485 ( -0.681 3.408 -3.800) 5.149 8.309 ( 11.973 14.415 1.475) 18.797 8.832 ( -1.438 -5.287 9.366) 10.851 9.987 ( -8.636 -3.592 -13.243) 16.213 10.402 ( 3.386 -1.974 -3.069) 4.978 13.134 ( -2.038 -28.371 12.562) 31.095 14.664 ( -3.811 8.726 -13.377) 16.420 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 1.973 -1.675 3.651) 4.475 3.168 ( 20.466 15.019 6.330) 26.163 3.904 ( -0.549 13.119 -4.824) 13.988 4.784 ( 11.496 13.123 2.916) 17.688 5.210 ( 0.890 20.001 -4.151) 20.447 6.510 ( 0.201 5.156 -2.407) 5.694 8.724 ( 14.561 10.555 0.549) 17.993 8.801 ( 2.583 3.172 5.794) 7.093 9.768 ( -7.644 -3.514 -8.562) 12.003 10.417 ( 0.604 0.335 -2.538) 2.630 12.817 ( -5.877 -30.701 8.449) 32.380 14.624 ( -5.452 7.493 -8.175) 12.357 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.919 -1.632 1.151) 2.770 3.677 ( 20.624 12.837 5.888) 24.996 4.028 ( 0.216 16.318 -5.560) 17.241 5.087 ( 11.361 6.704 3.191) 13.572 5.366 ( -0.220 14.349 -4.126) 14.933 6.570 ( 0.957 5.374 -0.642) 5.497 8.718 ( -2.710 -0.801 0.600) 2.889 9.279 ( 20.350 19.225 1.569) 28.039 9.626 ( -2.806 -1.533 -4.987) 5.924 10.422 ( -0.718 3.131 -1.337) 3.479 12.405 ( -10.583 -29.581 4.266) 31.705 14.573 ( -4.459 3.309 -3.317) 6.468 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 1.192 -0.976 -1.114) 1.901 4.111 ( 12.173 7.765 2.987) 14.744 4.208 ( 4.866 22.221 -2.779) 22.917 5.290 ( 5.230 3.562 -1.038) 6.412 5.481 ( 2.591 8.560 0.038) 8.944 6.624 ( 0.426 2.687 0.771) 2.828 8.693 ( 0.835 0.312 -1.524) 1.765 9.592 ( 0.108 4.271 2.641) 5.023 9.791 ( 13.005 20.855 -2.783) 24.734 10.466 ( 3.139 4.026 -1.062) 5.214 11.931 ( -14.328 -25.763 1.436) 29.514 14.515 ( -1.980 -2.642 -0.581) 3.352 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.508 0.378 -2.871) 2.940 4.270 ( -1.131 13.970 -3.867) 14.539 4.573 ( 11.385 15.382 4.800) 19.730 5.329 ( -2.950 3.803 -3.538) 5.974 5.613 ( 5.074 2.862 1.193) 5.947 6.637 ( 0.278 -2.095 2.108) 2.985 8.755 ( 6.220 1.281 -1.576) 6.543 9.683 ( 3.868 5.594 0.529) 6.822 10.089 ( -4.420 25.640 3.321) 26.229 10.619 ( 11.046 2.613 -3.115) 11.771 11.452 ( -15.570 -20.272 -0.173) 25.562 14.454 ( 1.249 -8.077 0.151) 8.175 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -0.000 -2.728 8.326) 8.762 2.744 ( -0.000 17.551 5.933) 18.527 3.914 ( 0.000 7.143 -3.636) 8.015 4.575 ( -0.000 20.063 2.722) 20.247 5.192 ( -0.000 21.960 -3.936) 22.310 6.509 ( 0.000 4.141 -5.106) 6.574 8.325 ( -0.000 11.012 0.841) 11.044 8.852 ( -0.000 -0.881 9.769) 9.809 9.981 ( 0.000 -5.141 -13.164) 14.132 10.352 ( 0.000 1.000 -0.499) 1.118 12.903 ( 0.000 -31.001 10.440) 32.712 14.744 ( 0.000 9.512 -10.949) 14.504 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 0.432 -2.161 8.163) 8.455 3.040 ( 13.038 14.651 5.547) 20.382 3.983 ( 1.599 8.381 -4.167) 9.495 4.801 ( 4.371 14.667 4.596) 15.979 5.370 ( 0.076 17.361 -5.004) 18.068 6.540 ( 0.545 5.265 -4.957) 7.252 8.547 ( 14.293 9.198 -0.312) 17.000 8.869 ( -2.900 2.491 7.691) 8.589 9.830 ( -6.135 -3.850 -8.734) 11.346 10.400 ( 2.309 3.462 -0.646) 4.211 12.606 ( -2.411 -32.267 7.400) 33.192 14.764 ( -4.326 8.695 -7.412) 12.217 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 0.733 -1.489 7.046) 7.239 3.467 ( 19.307 11.238 5.310) 22.962 4.112 ( 4.197 11.654 -5.148) 13.414 5.023 ( 6.245 8.265 5.824) 11.884 5.493 ( -0.734 12.678 -5.056) 13.669 6.594 ( 1.277 5.500 -3.947) 6.889 8.818 ( -4.231 4.821 3.141) 7.142 8.997 ( 23.293 8.204 -1.609) 24.748 9.685 ( -4.987 -0.890 -3.102) 5.940 10.475 ( 0.723 6.640 0.011) 6.679 12.251 ( -5.224 -31.437 4.253) 32.151 14.715 ( -7.542 6.005 -3.836) 10.376 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 0.447 -0.631 5.171) 5.229 3.912 ( 19.338 7.608 5.400) 21.471 4.312 ( 5.780 16.157 -6.124) 18.220 5.206 ( 6.712 2.415 5.584) 9.060 5.563 ( -1.219 8.970 -3.613) 9.747 6.645 ( 0.336 3.511 -2.947) 4.596 8.768 ( -6.214 5.216 1.442) 8.240 9.525 ( 25.664 9.092 -7.372) 28.207 9.648 ( 2.428 2.631 3.757) 5.190 10.551 ( -1.630 9.834 1.535) 10.086 11.856 ( -7.979 -28.563 1.760) 29.708 14.604 ( -8.807 1.739 -1.298) 9.071 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -0.000 -1.970 11.497) 11.665 3.081 ( -0.000 13.061 4.789) 13.911 4.015 ( 0.000 5.992 -4.006) 7.207 4.925 ( -0.000 12.926 5.851) 14.189 5.503 ( 0.000 13.688 -5.436) 14.728 6.568 ( 0.000 5.763 -5.853) 8.214 8.486 ( -0.000 5.503 -0.863) 5.571 8.969 ( -0.000 6.071 7.737) 9.835 9.814 ( 0.000 -3.468 -8.556) 9.232 10.424 ( -0.000 5.840 1.066) 5.936 12.332 ( 0.000 -32.410 5.215) 32.826 14.866 ( 0.000 8.476 -5.279) 9.985 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -0.237 -1.160 12.555) 12.611 3.317 ( 11.939 9.972 4.542) 16.205 4.097 ( 4.750 6.481 -4.529) 9.223 5.070 ( 1.528 8.886 6.876) 11.339 5.596 ( -0.479 10.080 -5.315) 11.405 6.613 ( 0.884 5.904 -5.466) 8.094 8.664 ( 16.125 3.996 -2.092) 16.744 9.021 ( -5.147 8.064 5.508) 11.039 9.731 ( -3.219 -1.228 -5.078) 6.136 10.517 ( 2.469 7.419 1.585) 7.978 12.019 ( -2.178 -30.939 2.794) 31.141 14.882 ( -5.353 6.857 -2.853) 9.155 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.597 -0.345 11.335) 11.356 3.677 ( 18.199 6.648 4.877) 19.980 4.275 ( 9.597 8.744 -5.695) 14.177 5.189 ( 1.914 3.991 7.410) 8.632 5.648 ( -1.064 7.181 -4.263) 8.419 6.662 ( 0.521 4.572 -4.900) 6.722 8.985 ( -7.957 9.897 3.093) 13.071 9.082 ( 26.930 3.180 -3.605) 27.355 9.676 ( -1.531 1.304 -1.267) 2.377 10.649 ( 2.351 9.082 2.599) 9.735 11.682 ( -4.274 -28.119 0.742) 28.451 14.798 ( -10.050 4.165 -0.988) 10.923 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -0.000 -0.545 16.228) 16.237 3.314 ( -0.000 7.592 3.909) 8.539 4.086 ( 0.000 4.236 -4.413) 6.117 5.166 ( -0.000 7.104 7.450) 10.294 5.667 ( 0.000 7.585 -5.228) 9.213 6.645 ( 0.000 6.008 -5.512) 8.154 8.537 ( 0.000 1.305 -2.327) 2.668 9.184 ( -0.000 11.086 5.398) 12.330 9.731 ( 0.000 -0.447 -4.947) 4.967 10.567 ( -0.000 6.713 2.469) 7.153 11.753 ( 0.000 -28.306 0.794) 28.317 14.987 ( -0.000 6.118 -1.329) 6.260 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -1.260 -0.021 16.528) 16.576 3.490 ( 11.613 4.626 4.042) 13.137 4.167 ( 6.998 4.000 -4.872) 9.419 5.247 ( -0.247 4.024 7.659) 8.655 5.708 ( -0.545 5.576 -4.426) 7.139 6.684 ( 0.244 4.900 -5.294) 7.218 8.687 ( 17.558 0.597 -3.114) 17.842 9.256 ( -7.209 12.475 4.120) 14.986 9.703 ( -1.086 0.672 -2.426) 2.741 10.674 ( 3.929 6.155 3.074) 7.923 11.478 ( -2.213 -24.101 -1.111) 24.228 14.983 ( -6.341 4.411 -0.098) 7.725 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -0.000 0.146 19.141) 19.142 3.431 ( -0.000 1.769 3.470) 3.895 4.115 ( 0.000 2.087 -4.739) 5.178 5.309 ( -0.000 2.192 7.439) 7.755 5.746 ( 0.000 4.410 -3.831) 5.841 6.707 ( 0.000 3.810 -5.429) 6.632 8.520 ( 0.000 -0.769 -3.085) 3.179 9.470 ( -0.000 14.074 4.100) 14.659 9.705 ( 0.000 -0.221 -1.536) 1.552 10.690 ( -0.000 3.345 3.198) 4.628 11.288 ( 0.000 -17.355 -2.882) 17.592 15.078 ( -0.000 3.412 0.624) 3.469 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.000 0.000 15.029) 15.029 1.076 ( -0.000 0.000 15.029) 15.029 2.028 ( -0.000 0.000 29.684) 29.684 3.419 ( 0.000 -0.000 -3.200) 3.200 3.419 ( 0.000 -0.000 -3.200) 3.200 7.331 ( -0.000 0.000 2.172) 2.172 7.331 ( -0.000 0.000 2.172) 2.172 7.562 ( 0.000 -0.000 -12.534) 12.534 10.755 ( 0.000 -0.000 -1.352) 1.352 10.755 ( 0.000 -0.000 -1.352) 1.352 13.896 ( -0.000 0.000 5.499) 5.499 14.280 ( 0.000 -0.000 -3.190) 3.190 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 15.417 8.901 9.697) 20.272 1.419 ( 25.509 14.728 13.873) 32.559 2.177 ( 6.133 3.541 23.115) 24.176 3.397 ( 0.599 0.346 -2.671) 2.759 3.542 ( 9.899 5.715 -2.904) 11.794 6.807 ( -17.581 -10.150 0.953) 20.323 7.398 ( 4.797 2.770 2.016) 5.894 8.410 ( 44.730 25.825 -14.717) 53.706 10.497 ( -19.436 -11.221 -2.285) 22.559 10.708 ( -3.314 -1.913 -1.225) 4.018 13.880 ( -3.060 -1.767 6.602) 7.488 14.449 ( 12.516 7.226 -9.334) 17.204 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 18.632 10.757 4.128) 21.907 1.950 ( 12.253 7.074 16.452) 21.699 2.619 ( 30.502 17.611 8.009) 36.120 3.428 ( 2.778 1.604 -1.377) 3.491 3.823 ( 15.359 8.868 -1.714) 17.818 6.542 ( -7.868 -4.542 -0.374) 9.092 7.557 ( 8.629 4.982 1.923) 10.147 9.190 ( 23.551 13.597 -5.224) 27.692 10.064 ( -11.889 -6.864 -12.121) 18.313 10.605 ( -5.159 -2.978 -1.122) 6.062 13.826 ( -3.672 -2.120 9.670) 10.559 14.603 ( 3.391 1.958 -15.626) 16.109 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 6.214 3.588 9.904) 12.230 2.223 ( 18.614 10.747 -0.437) 21.498 3.437 ( 36.992 21.357 1.701) 42.748 3.510 ( 4.573 2.640 0.525) 5.307 4.203 ( 18.536 10.702 -0.203) 21.404 6.406 ( -4.458 -2.574 -0.741) 5.201 7.790 ( 11.200 6.466 1.984) 13.084 9.293 ( -9.176 -5.298 8.224) 13.413 10.033 ( 9.439 5.450 -23.367) 25.784 10.483 ( -5.021 -2.899 -1.150) 5.911 13.793 ( -4.084 -2.358 14.948) 15.674 14.493 ( -5.915 -3.415 -18.904) 20.100 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 5.746 3.317 0.956) 6.703 2.614 ( 16.712 9.648 -3.667) 19.642 3.632 ( 5.657 3.266 2.584) 7.024 4.200 ( 29.695 17.145 -1.591) 34.326 4.642 ( 20.166 11.643 0.663) 23.295 6.332 ( -2.049 -1.183 1.122) 2.619 8.056 ( 11.330 6.542 2.265) 13.278 9.118 ( -6.402 -3.696 4.355) 8.580 10.071 ( -0.547 -0.316 -18.004) 18.015 10.390 ( -2.389 -1.379 -1.445) 3.114 13.614 ( -19.037 -10.991 10.794) 24.489 14.376 ( 3.873 2.236 -11.355) 12.204 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 4.340 2.506 -7.111) 8.700 2.942 ( 13.748 7.937 -5.234) 16.715 3.775 ( 5.840 3.371 4.190) 7.939 4.739 ( 19.435 11.221 -3.347) 22.690 5.083 ( 17.902 10.336 -0.148) 20.672 6.333 ( 1.526 0.881 4.519) 4.850 8.292 ( 8.440 4.873 2.682) 10.108 9.059 ( 0.309 0.179 -0.003) 0.357 9.918 ( -6.902 -3.985 -11.487) 13.981 10.380 ( 2.115 1.221 -2.017) 3.167 13.063 ( -29.430 -16.991 2.143) 34.050 14.548 ( 10.874 6.278 -0.668) 12.574 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 2.363 1.365 -13.463) 13.736 3.192 ( 10.167 5.870 -5.252) 12.861 3.916 ( 5.143 2.969 4.997) 7.762 5.072 ( 11.930 6.888 -5.513) 14.838 5.412 ( 11.335 6.544 0.934) 13.121 6.432 ( 5.084 2.935 6.624) 8.851 8.443 ( 4.160 2.402 2.979) 5.652 9.116 ( 5.079 2.933 -4.609) 7.460 9.745 ( -5.047 -2.914 -3.169) 6.633 10.465 ( 5.838 3.370 -2.617) 7.231 12.385 ( -30.157 -17.411 0.370) 34.824 14.791 ( 9.756 5.633 1.477) 11.362 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.856 0.494 -17.552) 17.580 3.358 ( 6.092 3.517 -4.411) 8.303 4.035 ( 3.722 2.149 5.097) 6.667 5.248 ( 6.142 3.546 -7.411) 10.258 5.617 ( 6.628 3.827 3.494) 8.413 6.582 ( 5.642 3.257 6.280) 9.049 8.508 ( 0.964 0.557 3.055) 3.251 9.247 ( 8.593 4.961 -6.246) 11.725 9.691 ( -0.096 -0.056 2.461) 2.463 10.596 ( 6.049 3.492 -3.011) 7.606 11.752 ( -25.632 -14.799 1.040) 29.616 14.976 ( 6.274 3.622 0.571) 7.267 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.000 7.852 13.829) 15.902 1.652 ( -0.000 34.654 10.924) 36.335 2.240 ( -0.000 3.402 19.728) 20.019 3.455 ( 0.000 4.131 -3.296) 5.285 3.475 ( -0.000 9.609 -1.728) 9.763 6.817 ( 0.000 -19.777 0.229) 19.778 7.387 ( -0.000 4.796 2.192) 5.273 8.359 ( -0.000 49.371 -12.452) 50.917 10.499 ( 0.000 -20.104 -2.912) 20.313 10.718 ( 0.000 -3.132 -1.406) 3.433 13.899 ( -0.000 -3.817 6.715) 7.724 14.410 ( 0.000 12.418 -8.420) 15.003 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 20.060 10.298 9.107) 24.319 2.039 ( 3.021 19.639 17.008) 26.155 2.462 ( 12.950 19.706 4.636) 24.032 3.465 ( -1.049 7.515 -1.682) 7.772 3.695 ( 10.364 12.209 -1.183) 16.058 6.602 ( -6.057 -8.687 -0.437) 10.599 7.508 ( 5.575 7.601 2.006) 9.637 8.949 ( 20.179 28.841 -7.243) 35.936 10.166 ( -12.735 -14.851 -8.200) 21.213 10.647 ( -3.216 -3.631 -1.305) 5.023 13.868 ( -1.498 -4.666 8.771) 10.047 14.526 ( 3.613 6.552 -13.053) 15.045 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 16.840 9.454 3.532) 19.633 2.248 ( 3.417 9.813 12.594) 16.328 3.053 ( 25.646 21.125 -1.634) 33.266 3.582 ( 3.658 16.070 0.418) 16.486 4.032 ( 14.725 13.381 0.051) 19.896 6.454 ( -4.612 -3.334 -0.859) 5.755 7.726 ( 8.307 11.276 1.887) 14.132 9.308 ( 3.705 -6.259 8.472) 11.166 9.912 ( -0.445 5.198 -21.469) 22.094 10.545 ( -4.590 -2.153 -1.461) 5.276 13.839 ( -0.751 -5.198 13.225) 14.230 14.497 ( -4.121 -0.786 -17.391) 17.890 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 7.269 1.434 1.950) 7.662 2.538 ( 9.846 18.881 0.827) 21.310 3.493 ( 13.821 2.248 0.235) 14.005 4.012 ( 18.470 29.207 -1.356) 34.584 4.439 ( 17.840 12.916 1.436) 22.072 6.370 ( -2.934 -0.700 0.444) 3.049 8.006 ( 8.668 14.563 2.046) 17.071 9.165 ( -5.738 -11.659 5.963) 14.298 9.959 ( 4.418 0.649 -17.316) 17.883 10.449 ( -4.787 0.009 -1.716) 5.085 13.766 ( -8.090 -13.255 14.051) 20.942 14.341 ( -2.621 2.458 -15.630) 16.038 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 4.902 0.108 -4.091) 6.386 2.878 ( 8.331 19.496 -3.888) 21.555 3.702 ( 8.880 2.956 3.174) 9.883 4.563 ( 16.957 20.472 -4.482) 26.958 4.881 ( 18.800 11.592 2.132) 22.189 6.352 ( -0.326 1.715 3.361) 3.787 8.292 ( 5.761 16.179 2.465) 17.350 9.026 ( -0.773 -7.044 0.599) 7.111 9.905 ( -1.397 -5.160 -11.467) 12.651 10.385 ( -2.016 1.159 -1.338) 2.683 13.340 ( -23.446 -20.326 2.679) 31.145 14.429 ( 8.986 5.938 -1.944) 10.945 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 3.064 -0.749 -10.069) 10.551 3.161 ( 5.447 17.795 -5.218) 19.328 3.885 ( 6.400 5.198 4.632) 9.457 4.937 ( 11.503 11.961 -6.479) 17.814 5.272 ( 14.444 8.187 2.773) 16.833 6.420 ( 2.963 3.850 5.892) 7.637 8.511 ( 0.420 15.821 2.887) 16.088 9.006 ( 4.942 -3.824 -3.822) 7.325 9.773 ( -3.718 -4.697 -4.543) 7.518 10.415 ( 3.450 3.603 -1.780) 5.296 12.696 ( -28.116 -20.393 -0.684) 34.740 14.657 ( 11.278 3.247 2.174) 11.936 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 1.471 -1.242 -14.388) 14.516 3.368 ( 2.113 15.218 -4.885) 16.122 4.046 ( 3.401 7.087 5.066) 9.352 5.151 ( 6.996 5.879 -7.832) 12.035 5.543 ( 8.950 4.780 4.303) 11.021 6.551 ( 4.766 4.163 6.209) 8.866 8.636 ( -4.614 15.367 3.134) 16.347 9.082 ( 9.432 -1.787 -5.858) 11.246 9.695 ( -0.635 -2.096 1.496) 2.652 10.539 ( 5.722 6.025 -2.546) 8.690 12.036 ( -26.681 -18.109 -0.478) 32.250 14.858 ( 9.637 -0.319 1.657) 9.784 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -0.000 16.599 11.237) 20.045 2.205 ( -0.000 2.091 20.335) 20.443 2.637 ( -0.000 38.748 -4.420) 38.999 3.530 ( 0.000 6.027 -3.484) 6.961 3.760 ( -0.000 19.167 1.367) 19.216 6.566 ( 0.000 -7.445 -1.153) 7.534 7.547 ( -0.000 9.880 2.189) 10.120 9.044 ( -0.000 21.727 -0.302) 21.729 10.107 ( 0.000 -9.802 -13.477) 16.665 10.619 ( 0.000 -5.716 -1.489) 5.907 13.857 ( -0.000 -6.399 10.077) 11.937 14.520 ( 0.000 6.083 -13.681) 14.972 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 13.322 16.143 7.527) 22.243 2.284 ( 3.843 -0.406 14.597) 15.100 3.061 ( 5.252 35.385 -4.851) 36.100 3.639 ( 6.420 12.127 -2.286) 13.911 4.018 ( 5.935 20.472 1.689) 21.382 6.480 ( -2.683 -3.364 -1.699) 4.626 7.722 ( 6.645 12.768 2.014) 14.534 9.206 ( 3.745 -5.179 10.086) 11.940 9.956 ( -5.595 5.281 -20.606) 21.996 10.554 ( -0.659 -4.544 -1.836) 4.945 13.825 ( -0.058 -8.425 13.420) 15.846 14.495 ( -2.254 2.088 -16.831) 17.109 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 5.800 4.756 2.965) 8.065 2.536 ( 13.859 13.501 8.129) 20.987 3.375 ( 5.391 15.296 -3.925) 16.686 4.018 ( 15.444 25.804 -1.907) 30.133 4.351 ( 9.798 18.795 1.896) 21.280 6.411 ( -2.489 -0.341 -1.014) 2.709 8.019 ( 9.946 17.133 1.931) 19.904 9.128 ( -2.644 -15.038 9.008) 17.727 9.886 ( -1.653 3.494 -16.723) 17.164 10.497 ( -1.894 -1.765 -2.368) 3.508 13.758 ( -2.430 -15.781 15.384) 22.172 14.382 ( -4.932 3.910 -17.375) 18.480 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 3.677 0.286 -1.060) 3.837 2.945 ( 10.188 21.662 1.231) 23.970 3.582 ( 8.627 6.857 -0.388) 11.027 4.528 ( 14.030 25.033 -4.391) 29.030 4.721 ( 14.072 14.357 3.086) 20.339 6.391 ( -0.798 2.279 1.227) 2.708 8.379 ( 8.556 21.693 2.265) 23.429 8.969 ( -2.444 -10.957 2.871) 11.587 9.817 ( -0.162 -4.342 -10.705) 11.553 10.433 ( -2.992 -0.775 -1.543) 3.454 13.462 ( -14.437 -23.736 6.223) 28.471 14.374 ( 2.813 7.105 -6.293) 9.899 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.450 -0.913 -5.473) 6.066 3.284 ( 3.944 24.095 -3.564) 24.674 3.810 ( 10.335 5.790 3.403) 12.325 4.894 ( 7.702 17.254 -6.848) 20.097 5.114 ( 15.688 9.930 4.368) 19.074 6.441 ( 1.618 4.426 3.800) 6.053 8.708 ( 2.106 23.274 2.470) 23.499 8.879 ( 2.179 -6.217 -1.206) 6.697 9.734 ( -0.059 -5.479 -6.250) 8.312 10.401 ( 0.550 1.086 -0.765) 1.438 12.913 ( -22.738 -23.781 -0.020) 32.902 14.520 ( 8.253 3.048 0.957) 8.850 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 0.988 -1.236 -9.115) 9.252 3.524 ( -0.205 22.297 -5.203) 22.897 4.056 ( 8.009 8.948 5.331) 13.139 5.096 ( 4.436 9.505 -7.718) 13.022 5.439 ( 11.386 5.989 4.856) 13.750 6.546 ( 3.328 4.592 5.018) 7.573 8.855 ( 5.319 0.523 -3.564) 6.424 8.968 ( -3.057 19.657 3.509) 20.201 9.677 ( 0.089 -2.878 -1.641) 3.315 10.484 ( 6.214 4.335 -1.545) 7.733 12.281 ( -24.946 -21.241 -1.369) 32.792 14.683 ( 9.406 -2.257 2.130) 9.904 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -0.000 19.707 9.273) 21.779 2.263 ( -0.000 -3.732 10.566) 11.205 3.413 ( -0.000 39.796 -2.796) 39.894 3.635 ( 0.000 7.260 -3.727) 8.161 4.206 ( -0.000 24.748 1.546) 24.796 6.468 ( 0.000 -1.897 -2.708) 3.307 7.793 ( -0.000 13.542 1.879) 13.671 9.144 ( -0.000 -11.388 12.823) 17.150 10.010 ( 0.000 8.653 -20.810) 22.538 10.489 ( 0.000 -6.215 -1.390) 6.368 13.774 ( -0.000 -12.788 15.109) 19.794 14.486 ( 0.000 3.923 -17.789) 18.216 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.646 6.537 5.389) 8.496 2.411 ( 15.196 9.614 9.238) 20.216 3.566 ( -6.925 17.653 -3.915) 19.363 3.974 ( 15.499 24.344 -1.088) 28.880 4.479 ( 2.670 25.093 0.262) 25.236 6.436 ( -1.219 0.222 -2.904) 3.157 8.016 ( 8.968 15.547 1.486) 18.010 9.055 ( -1.359 -13.308 11.229) 17.465 9.948 ( -6.418 3.835 -15.401) 17.120 10.454 ( 2.118 -4.028 -2.168) 5.041 13.667 ( -1.126 -20.097 15.233) 25.243 14.445 ( -3.189 7.011 -17.091) 18.746 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.247 0.379 2.321) 2.662 2.885 ( 19.348 16.249 6.395) 26.063 3.626 ( -1.896 13.701 -3.970) 14.390 4.469 ( 16.399 20.476 0.710) 26.243 4.770 ( 4.001 22.750 -1.360) 23.140 6.425 ( -0.348 2.581 -1.689) 3.104 8.393 ( 14.378 19.188 1.032) 23.999 8.928 ( -3.352 -10.120 6.362) 12.415 9.800 ( -5.895 -2.178 -8.883) 10.881 10.437 ( 0.084 -2.497 -2.013) 3.208 13.418 ( -6.941 -27.039 9.462) 29.476 14.424 ( -2.270 9.212 -10.135) 13.883 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 1.205 -0.554 -0.457) 1.403 3.372 ( 14.591 20.261 2.378) 25.081 3.746 ( 3.557 10.616 -1.850) 11.348 4.898 ( 12.586 14.876 -0.086) 19.486 5.038 ( 5.985 16.700 -0.820) 17.759 6.468 ( 1.496 4.595 0.343) 4.845 8.788 ( 0.404 -1.213 0.198) 1.294 8.865 ( 10.033 18.346 2.358) 21.043 9.670 ( -2.317 -4.448 -4.459) 6.711 10.403 ( -0.788 -0.902 -0.839) 1.462 12.983 ( -14.654 -27.966 2.635) 31.683 14.473 ( 1.574 5.619 -2.398) 6.309 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.183 -0.664 -3.086) 3.162 3.735 ( 1.688 24.489 -4.630) 24.980 3.972 ( 12.935 7.850 4.724) 15.851 5.132 ( 2.058 11.786 -5.265) 13.072 5.323 ( 11.417 8.173 4.112) 14.631 6.555 ( 2.619 4.562 1.999) 5.627 8.731 ( 1.627 -4.347 -1.738) 4.956 9.264 ( 3.405 27.516 4.210) 28.044 9.618 ( 2.107 -2.609 -3.431) 4.797 10.417 ( 3.439 1.218 -0.386) 3.669 12.432 ( -19.566 -25.146 -0.782) 31.871 14.549 ( 4.403 -0.755 1.052) 4.589 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.000 -2.787 6.750) 7.303 2.406 ( -0.000 19.378 7.814) 20.894 3.754 ( 0.000 7.658 -4.016) 8.647 4.095 ( -0.000 30.516 1.434) 30.550 4.707 ( -0.000 25.746 -1.654) 25.799 6.438 ( 0.000 1.210 -4.316) 4.483 8.079 ( -0.000 14.102 1.009) 14.138 8.996 ( -0.000 -9.886 11.297) 15.011 9.991 ( 0.000 0.766 -13.330) 13.352 10.379 ( 0.000 -3.756 -0.803) 3.841 13.507 ( -0.000 -25.647 13.562) 29.012 14.499 ( 0.000 10.076 -15.092) 18.146 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -1.009 -0.794 5.767) 5.909 2.755 ( 14.977 16.467 7.070) 23.355 3.787 ( -2.719 10.280 -4.279) 11.462 4.459 ( 9.109 22.329 3.588) 24.381 4.951 ( 1.119 23.470 -3.403) 23.742 6.441 ( 0.212 2.873 -4.405) 5.264 8.318 ( 11.854 14.012 0.114) 18.354 8.932 ( -2.881 -5.996 8.809) 11.039 9.871 ( -6.833 -2.514 -7.852) 10.708 10.381 ( 2.555 -1.643 -1.126) 3.240 13.253 ( -2.905 -30.336 9.607) 31.953 14.534 ( -2.664 11.233 -10.602) 15.674 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -0.203 -0.402 4.664) 4.685 3.233 ( 20.103 14.728 5.660) 25.556 3.854 ( -0.759 12.802 -4.632) 13.636 4.828 ( 11.190 14.233 5.324) 18.872 5.163 ( 0.926 19.097 -4.639) 19.674 6.479 ( 1.724 4.580 -3.344) 5.928 8.724 ( 17.156 12.403 -0.608) 21.179 8.853 ( -2.220 -0.061 3.776) 4.381 9.711 ( -6.298 -2.484 -1.849) 7.018 10.400 ( 0.620 0.712 -0.696) 1.173 12.888 ( -7.453 -31.687 4.652) 32.883 14.553 ( -3.495 8.850 -5.072) 10.783 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -0.000 -1.377 8.471) 8.582 2.810 ( -0.000 16.654 6.500) 17.878 3.871 ( 0.000 7.215 -4.362) 8.431 4.620 ( -0.000 21.036 5.462) 21.734 5.147 ( -0.000 20.932 -4.430) 21.396 6.451 ( 0.000 3.752 -5.840) 6.942 8.327 ( -0.000 10.597 -0.481) 10.608 8.955 ( -0.000 -1.636 9.068) 9.214 9.871 ( 0.000 -4.614 -6.945) 8.338 10.352 ( -0.000 1.452 0.468) 1.525 12.999 ( 0.000 -33.001 7.464) 33.835 14.639 ( 0.000 11.996 -8.495) 14.699 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.024 -0.355 9.572) 9.633 3.101 ( 13.076 13.913 5.794) 19.953 3.935 ( 1.290 8.380 -4.718) 9.702 4.863 ( 4.433 15.306 6.827) 17.336 5.316 ( 0.050 16.885 -4.949) 17.595 6.482 ( 1.285 5.028 -5.788) 7.773 8.536 ( 13.937 8.700 -1.702) 16.517 8.948 ( -4.470 1.708 6.784) 8.302 9.766 ( -4.046 -3.825 -2.991) 6.321 10.401 ( 1.728 4.159 0.771) 4.569 12.669 ( -2.950 -33.793 4.332) 34.196 14.697 ( -3.601 10.604 -5.185) 12.341 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -0.000 0.079 13.258) 13.258 3.136 ( -0.000 12.286 5.304) 13.382 3.969 ( 0.000 6.044 -4.748) 7.686 4.998 ( -0.000 13.284 7.490) 15.250 5.447 ( 0.000 13.448 -4.807) 14.281 6.502 ( 0.000 5.958 -6.506) 8.822 8.471 ( 0.000 5.095 -2.092) 5.507 9.051 ( -0.000 5.143 7.286) 8.918 9.748 ( 0.000 -3.614 -3.589) 5.093 10.440 ( -0.000 6.327 2.006) 6.637 12.374 ( 0.000 -33.933 2.550) 34.028 14.818 ( 0.000 10.307 -3.595) 10.916 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -0.000 0.000 11.460) 11.460 1.217 ( -0.000 0.000 11.460) 11.460 2.310 ( -0.000 0.000 23.130) 23.130 3.387 ( 0.000 -0.000 -2.844) 2.844 3.387 ( 0.000 -0.000 -2.844) 2.844 7.352 ( -0.000 0.000 1.818) 1.818 7.352 ( -0.000 0.000 1.818) 1.818 7.435 ( 0.000 -0.000 -10.995) 10.995 10.741 ( 0.000 -0.000 -1.136) 1.136 10.741 ( 0.000 -0.000 -1.136) 1.136 13.956 ( -0.000 0.000 5.651) 5.651 14.243 ( 0.000 -0.000 -3.765) 3.765 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 13.212 7.628 5.684) 16.281 1.557 ( 25.993 15.007 12.003) 32.326 2.390 ( 1.853 1.070 16.642) 16.779 3.374 ( 1.032 0.596 -1.609) 2.002 3.514 ( 10.276 5.933 -2.457) 12.117 6.808 ( -17.260 -9.965 -0.645) 19.940 7.416 ( 4.774 2.756 1.450) 5.700 8.283 ( 43.515 25.123 -9.372) 51.113 10.476 ( -20.694 -11.948 -1.681) 23.955 10.697 ( -3.277 -1.892 -0.850) 3.878 13.950 ( -2.164 -1.250 6.597) 7.055 14.358 ( 8.943 5.163 -7.861) 12.979 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 16.862 9.735 0.069) 19.471 2.120 ( 11.767 6.794 15.515) 20.624 2.677 ( 26.289 15.178 2.470) 30.456 3.422 ( 3.410 1.969 0.238) 3.944 3.808 ( 15.991 9.232 -1.084) 18.497 6.537 ( -8.070 -4.659 -0.455) 9.329 7.574 ( 8.695 5.020 1.185) 10.110 9.140 ( 31.725 18.317 -4.123) 36.865 9.962 ( -20.293 -11.716 -7.155) 24.500 10.596 ( -5.183 -2.992 -0.614) 6.016 13.929 ( -1.554 -0.897 9.491) 9.659 14.450 ( 0.791 0.457 -13.157) 13.188 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 17.471 10.087 -4.014) 20.569 2.273 ( 2.262 1.306 7.811) 8.236 3.438 ( 35.899 20.726 -1.276) 41.472 3.525 ( 5.263 3.038 2.245) 6.478 4.206 ( 19.175 11.070 0.566) 22.148 6.405 ( -4.044 -2.335 0.526) 4.699 7.807 ( 11.392 6.577 1.123) 13.202 9.386 ( -12.230 -7.061 8.533) 16.500 9.805 ( 12.326 7.116 -18.638) 23.451 10.474 ( -5.166 -2.983 -0.546) 5.991 13.955 ( -2.091 -1.207 15.574) 15.760 14.298 ( -6.804 -3.928 -17.878) 19.528 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.029 1.171 -0.834) 2.487 2.561 ( 16.253 9.384 -6.125) 19.742 3.667 ( 6.214 3.588 3.824) 8.131 4.168 ( 28.777 16.614 -3.960) 33.464 4.658 ( 20.293 11.716 2.205) 23.536 6.354 ( -0.930 -0.537 3.000) 3.187 8.075 ( 11.648 6.725 1.325) 13.515 9.143 ( -8.161 -4.712 -0.288) 9.428 9.923 ( 1.160 0.670 -8.905) 9.005 10.378 ( -2.703 -1.560 -0.788) 3.219 13.681 ( -23.830 -13.758 0.922) 27.532 14.307 ( 9.729 5.617 -0.787) 11.262 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 1.219 0.704 -8.024) 8.147 2.879 ( 13.894 8.022 -6.334) 17.249 3.823 ( 6.152 3.552 4.634) 8.482 4.684 ( 19.011 10.976 -6.220) 22.816 5.103 ( 17.582 10.151 3.443) 20.591 6.388 ( 2.593 1.497 5.681) 6.422 8.315 ( 8.790 5.075 1.720) 10.295 9.033 ( -1.038 -0.599 -5.040) 5.181 9.844 ( -4.846 -2.798 -2.157) 5.997 10.361 ( 1.697 0.980 -1.356) 2.384 13.057 ( -29.698 -17.146 -3.192) 34.440 14.569 ( 11.515 6.648 4.485) 14.033 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 7.831 11.219) 13.682 1.739 ( -0.000 36.227 5.550) 36.650 2.422 ( -0.000 -2.861 14.192) 14.477 3.420 ( 0.000 3.941 -3.133) 5.034 3.464 ( -0.000 10.862 -0.373) 10.869 6.811 ( 0.000 -19.306 -1.121) 19.338 7.409 ( -0.000 4.951 1.744) 5.249 8.253 ( -0.000 48.888 -7.615) 49.477 10.474 ( 0.000 -22.596 -1.864) 22.673 10.705 ( 0.000 -3.258 -1.154) 3.457 13.970 ( -0.000 -2.685 6.514) 7.045 14.328 ( 0.000 9.054 -7.128) 11.523 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 15.966 10.858 6.419) 20.348 2.192 ( 5.476 28.425 11.574) 31.176 2.493 ( 9.939 6.444 1.469) 11.936 3.450 ( 0.303 7.114 -1.187) 7.219 3.687 ( 9.875 13.598 -0.272) 16.807 6.595 ( -5.957 -9.000 -0.839) 10.825 7.526 ( 5.332 7.874 1.333) 9.603 8.888 ( 21.912 34.520 -4.251) 41.107 10.097 ( -14.513 -21.141 -4.887) 26.105 10.636 ( -3.007 -3.935 -0.856) 5.026 13.959 ( -0.572 -2.705 8.228) 8.680 14.400 ( 1.787 3.775 -10.515) 11.314 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 14.277 11.203 0.144) 18.148 2.364 ( -1.069 7.431 8.811) 11.576 3.030 ( 27.233 19.342 -2.327) 33.483 3.587 ( 4.633 15.426 0.518) 16.115 4.035 ( 14.852 14.354 0.440) 20.659 6.449 ( -4.088 -3.573 -0.163) 5.431 7.741 ( 8.231 11.631 0.972) 14.282 9.414 ( 8.059 -1.190 11.493) 14.088 9.696 ( -5.036 0.594 -18.947) 19.614 10.534 ( -4.464 -2.766 -0.620) 5.288 13.981 ( 1.562 -2.326 13.213) 13.506 14.321 ( -6.116 -3.283 -15.441) 16.930 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 6.291 0.705 -0.826) 6.384 2.531 ( 5.162 19.231 -2.157) 20.029 3.504 ( 16.247 1.796 1.818) 16.447 3.991 ( 16.860 27.846 -2.182) 32.626 4.457 ( 18.289 13.668 1.815) 22.904 6.382 ( -1.711 -0.633 1.770) 2.541 8.022 ( 8.774 15.039 0.945) 17.437 9.206 ( -9.033 -12.219 0.617) 15.208 9.822 ( 6.855 1.517 -7.263) 10.102 10.438 ( -4.639 -0.524 -0.464) 4.692 13.873 ( -15.276 -16.336 3.543) 22.644 14.222 ( 5.506 6.085 -3.972) 9.117 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 2.120 -1.096 -4.988) 5.530 2.825 ( 6.984 20.526 -5.929) 22.478 3.742 ( 9.866 2.698 4.141) 11.034 4.508 ( 16.067 19.730 -5.324) 25.996 4.913 ( 18.883 12.036 3.582) 22.677 6.394 ( 1.130 1.855 4.329) 4.844 8.312 ( 5.950 16.790 1.259) 17.858 9.006 ( -2.690 -6.822 -4.648) 8.682 9.834 ( 0.382 -5.558 -1.488) 5.767 10.377 ( -2.241 1.168 -0.269) 2.541 13.330 ( -25.201 -19.521 -4.418) 32.182 14.447 ( 11.301 5.314 5.323) 13.575 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.000 16.081 9.870) 18.869 2.387 ( -0.000 -3.869 12.464) 13.051 2.579 ( -0.000 42.136 -4.852) 42.415 3.493 ( 0.000 5.867 -3.487) 6.825 3.776 ( -0.000 19.745 1.515) 19.803 6.552 ( 0.000 -7.982 -1.398) 8.103 7.567 ( -0.000 9.986 1.554) 10.106 9.050 ( -0.000 31.528 1.442) 31.561 9.988 ( 0.000 -19.490 -8.828) 21.396 10.605 ( 0.000 -5.825 -1.131) 5.934 13.962 ( -0.000 -3.502 9.383) 10.016 14.387 ( 0.000 2.521 -11.031) 11.316 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 10.115 15.924 6.122) 19.833 2.401 ( 3.807 -2.182 6.890) 8.169 3.019 ( 4.595 35.746 -2.619) 36.136 3.615 ( 7.801 11.873 -2.161) 14.370 4.033 ( 5.689 20.793 1.002) 21.580 6.463 ( -2.234 -4.001 -1.415) 4.796 7.739 ( 6.512 12.909 1.132) 14.503 9.332 ( 4.959 0.031 13.458) 14.343 9.749 ( -6.614 1.126 -18.133) 19.334 10.539 ( -0.732 -5.017 -1.011) 5.170 13.970 ( 1.003 -5.075 13.562) 14.515 14.325 ( -3.384 -1.241 -15.093) 15.517 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 3.994 5.003 1.047) 6.487 2.597 ( 10.162 14.035 3.011) 17.587 3.345 ( 7.154 14.513 -1.429) 16.243 4.002 ( 14.952 25.376 -0.852) 29.465 4.365 ( 10.342 18.712 0.693) 21.391 6.404 ( -1.309 -0.839 -0.342) 1.592 8.033 ( 10.025 17.332 0.672) 20.034 9.210 ( -6.656 -16.320 5.108) 18.350 9.747 ( 1.381 5.815 -7.828) 9.849 10.481 ( -1.658 -2.409 -0.738) 3.016 13.904 ( -6.180 -18.547 10.425) 22.156 14.221 ( -0.666 6.998 -11.112) 13.149 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 1.457 0.313 -1.721) 2.277 2.936 ( 6.546 23.449 -2.984) 24.527 3.593 ( 11.247 5.648 2.205) 12.777 4.488 ( 11.841 24.655 -2.866) 27.501 4.750 ( 15.662 14.496 2.361) 21.471 6.407 ( 0.902 1.843 1.638) 2.626 8.395 ( 8.981 22.014 0.651) 23.784 8.975 ( -5.236 -10.189 -1.964) 11.623 9.754 ( 0.917 -4.655 -0.767) 4.807 10.426 ( -2.540 -1.007 0.153) 2.737 13.484 ( -18.426 -22.664 -2.323) 29.301 14.354 ( 7.383 6.143 2.642) 9.961 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 19.178 8.621) 21.027 2.338 ( -0.000 -3.909 3.290) 5.109 3.400 ( -0.000 40.538 0.400) 40.540 3.595 ( 0.000 7.132 -3.861) 8.110 4.216 ( -0.000 23.984 0.216) 23.985 6.440 ( 0.000 -2.779 -2.491) 3.732 7.808 ( -0.000 13.484 0.969) 13.519 9.292 ( -0.000 -13.072 14.640) 19.627 9.809 ( 0.000 11.491 -16.458) 20.073 10.477 ( 0.000 -6.192 -0.835) 6.248 13.939 ( -0.000 -11.275 15.952) 19.534 14.301 ( 0.000 2.328 -17.031) 17.189 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -1.323 5.965 3.509) 7.046 2.490 ( 15.047 10.760 5.588) 19.324 3.530 ( -7.161 16.723 -2.895) 18.421 3.973 ( 15.614 26.239 0.943) 30.548 4.474 ( 2.774 23.791 -1.144) 23.979 6.406 ( -0.438 -0.679 -2.605) 2.727 8.026 ( 8.876 15.383 0.291) 17.763 9.164 ( -3.448 -14.693 8.230) 17.190 9.822 ( -4.353 6.498 -7.037) 10.521 10.439 ( 1.768 -4.280 -0.745) 4.690 13.816 ( -2.594 -22.547 11.941) 25.646 14.281 ( -1.514 9.501 -12.710) 15.941 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.000 -1.041 3.502) 3.653 2.488 ( -0.000 18.808 7.491) 20.245 3.710 ( 0.000 7.547 -4.244) 8.659 4.125 ( -0.000 31.906 3.805) 32.132 4.684 ( -0.000 24.364 -2.501) 24.492 6.393 ( 0.000 0.194 -4.092) 4.096 8.083 ( -0.000 13.809 -0.173) 13.810 9.101 ( -0.000 -10.448 7.621) 12.932 9.895 ( 0.000 1.968 -3.800) 4.279 10.374 ( 0.000 -3.472 -0.005) 3.472 13.632 ( 0.000 -28.028 9.202) 29.500 14.361 ( 0.000 12.405 -10.094) 15.993 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.000 0.000 7.221) 7.221 1.317 ( -0.000 0.000 7.221) 7.221 2.513 ( -0.000 0.000 14.835) 14.835 3.360 ( 0.000 -0.000 -1.985) 1.985 3.360 ( 0.000 -0.000 -1.985) 1.985 7.335 ( 0.000 -0.000 -7.606) 7.606 7.368 ( -0.000 0.000 1.207) 1.207 7.368 ( -0.000 0.000 1.207) 1.207 10.731 ( 0.000 -0.000 -0.757) 0.757 10.731 ( 0.000 -0.000 -0.757) 0.757 14.014 ( -0.000 0.000 5.325) 5.325 14.201 ( 0.000 -0.000 -4.096) 4.096 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 11.063 6.387 1.153) 12.826 1.670 ( 27.265 15.741 8.972) 32.736 2.525 ( -1.700 -0.982 8.705) 8.924 3.364 ( 1.670 0.964 -0.192) 1.938 3.491 ( 10.658 6.154 -1.759) 12.432 6.798 ( -16.725 -9.656 -0.897) 19.334 7.428 ( 4.699 2.713 0.675) 5.468 8.208 ( 42.613 24.603 -4.711) 49.431 10.461 ( -21.327 -12.313 -0.970) 24.646 10.690 ( -3.196 -1.845 -0.349) 3.707 14.016 ( -1.388 -0.801 5.540) 5.767 14.282 ( 6.538 3.775 -6.099) 9.705 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 15.330 8.851 -3.947) 18.136 2.276 ( 10.574 6.105 13.710) 18.358 2.668 ( 24.107 13.918 -3.974) 28.119 3.433 ( 4.109 2.372 1.796) 5.074 3.799 ( 16.594 9.581 -0.717) 19.175 6.534 ( -7.792 -4.499 0.059) 8.998 7.581 ( 8.723 5.036 0.268) 10.076 9.102 ( 35.378 20.425 -3.181) 40.974 9.913 ( -24.412 -14.094 -1.915) 28.253 10.593 ( -5.171 -2.985 -0.007) 5.971 14.020 ( 0.638 0.368 6.718) 6.759 14.331 ( -1.751 -1.011 -8.490) 8.727 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 16.753 9.672 -6.843) 20.519 2.335 ( -1.260 -0.727 3.465) 3.758 3.417 ( 35.413 20.446 -2.303) 40.957 3.555 ( 5.833 3.368 3.399) 7.545 4.213 ( 19.957 11.522 0.627) 23.053 6.417 ( -3.265 -1.885 1.700) 4.135 7.813 ( 11.560 6.674 0.087) 13.349 9.421 ( -17.329 -10.005 -5.916) 20.866 9.693 ( 16.812 9.706 1.594) 19.478 10.472 ( -5.287 -3.052 0.153) 6.107 14.112 ( -13.240 -7.644 -13.818) 20.608 14.125 ( 5.074 2.930 13.218) 14.458 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -0.000 8.805 7.693) 11.692 1.769 ( -0.000 35.475 0.152) 35.475 2.537 ( -0.000 -5.400 7.279) 9.063 3.390 ( 0.000 3.466 -2.448) 4.243 3.466 ( -0.000 11.971 0.629) 11.987 6.798 ( 0.000 -18.898 -1.021) 18.925 7.424 ( -0.000 5.124 1.048) 5.230 8.195 ( -0.000 48.571 -3.351) 48.686 10.459 ( 0.000 -24.064 -0.854) 24.079 10.694 ( 0.000 -3.408 -0.734) 3.486 14.032 ( -0.000 -1.722 4.784) 5.085 14.262 ( 0.000 6.967 -4.883) 8.507 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 10.932 12.862 2.334) 17.041 2.278 ( 14.443 35.540 4.353) 38.609 2.499 ( 2.158 -3.811 -0.039) 4.380 3.441 ( 2.164 6.120 -0.468) 6.508 3.687 ( 9.134 14.693 0.047) 17.300 6.588 ( -5.587 -9.196 -0.403) 10.768 7.535 ( 4.980 8.149 0.467) 9.561 8.858 ( 22.348 37.613 -1.380) 43.773 10.062 ( -14.985 -24.689 -1.634) 28.927 10.629 ( -2.684 -4.204 -0.300) 4.997 14.032 ( 0.130 -0.608 4.466) 4.509 14.312 ( 0.469 1.308 -5.184) 5.367 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 11.203 13.841 -3.396) 18.128 2.425 ( -3.699 4.086 2.227) 5.945 3.011 ( 28.721 20.419 -0.910) 35.252 3.596 ( 5.504 14.016 1.302) 15.114 4.038 ( 15.054 15.001 -0.032) 21.252 6.452 ( -3.240 -3.756 0.698) 5.009 7.746 ( 8.097 11.916 -0.086) 14.407 9.481 ( 11.012 15.760 -11.608) 22.458 9.582 ( -8.519 -16.344 10.172) 21.052 10.532 ( -4.256 -3.083 0.200) 5.259 14.082 ( 2.745 3.514 -1.220) 4.623 14.206 ( -7.117 -8.893 0.882) 11.425 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.000 16.495 7.377) 18.070 2.402 ( 0.000 4.719 -8.625) 9.832 2.600 ( -0.000 33.342 7.634) 34.205 3.458 ( 0.000 5.431 -2.934) 6.173 3.790 ( -0.000 19.657 1.012) 19.683 6.539 ( 0.000 -8.483 -0.875) 8.528 7.579 ( -0.000 10.054 0.693) 10.078 9.072 ( -0.000 38.758 2.473) 38.836 9.922 ( 0.000 -26.523 -3.577) 26.764 10.596 ( 0.000 -5.915 -0.606) 5.946 14.040 ( -0.000 0.241 3.830) 3.838 14.301 ( 0.000 -1.575 -3.760) 4.077 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -0.000 0.000 2.472) 2.472 1.369 ( -0.000 0.000 2.472) 2.472 2.620 ( -0.000 0.000 5.130) 5.130 3.346 ( 0.000 -0.000 -0.715) 0.715 3.346 ( 0.000 -0.000 -0.715) 0.715 7.279 ( 0.000 -0.000 -2.729) 2.729 7.377 ( -0.000 0.000 0.423) 0.423 7.377 ( -0.000 0.000 0.423) 0.423 10.726 ( 0.000 -0.000 -0.265) 0.265 10.726 ( 0.000 -0.000 -0.265) 0.265 14.064 ( -0.000 0.000 3.348) 3.348 14.160 ( 0.000 -0.000 -2.921) 2.921 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 3.35e-04 3.36e-05 3.36e-05 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 9.126 5.269 -3.457) 11.090 1.744 ( 29.051 16.773 4.841) 33.893 2.574 ( -4.149 -2.396 0.449) 4.812 3.370 ( 2.382 1.375 1.272) 3.030 3.476 ( 10.786 6.227 -1.181) 12.510 6.793 ( -16.349 -9.439 -0.022) 18.879 7.430 ( 4.581 2.645 -0.200) 5.294 8.181 ( 42.123 24.320 -0.601) 48.643 10.455 ( -21.392 -12.351 -0.111) 24.702 10.689 ( -3.083 -1.780 0.207) 3.566 14.056 ( -1.136 -0.656 1.049) 1.680 14.239 ( 5.561 3.210 -1.250) 6.542 =================== 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 3/58956 10.0 608.929 608.929 1616.710 0.000 -0.000 0.000 3/58956 20.0 385.205 385.205 458.990 0.000 -0.000 0.000 3/58956 30.0 193.427 193.427 150.821 0.000 -0.000 0.000 3/58956 40.0 112.525 112.525 69.369 0.000 -0.000 0.000 3/58956 50.0 76.627 76.627 40.334 0.000 -0.000 0.000 3/58956 60.0 57.346 57.346 27.137 0.000 -0.000 0.000 3/58956 70.0 45.392 45.392 20.032 0.000 -0.000 0.000 3/58956 80.0 37.291 37.291 15.732 0.000 -0.000 0.000 3/58956 90.0 31.484 31.484 12.904 0.000 -0.000 0.000 3/58956 100.0 27.156 27.156 10.929 0.000 -0.000 0.000 3/58956 110.0 23.833 23.833 9.483 0.000 -0.000 0.000 3/58956 120.0 21.217 21.217 8.385 0.000 -0.000 0.000 3/58956 130.0 19.114 19.114 7.525 0.000 -0.000 0.000 3/58956 140.0 17.391 17.391 6.834 0.000 -0.000 0.000 3/58956 150.0 15.958 15.958 6.268 0.000 -0.000 0.000 3/58956 160.0 14.747 14.747 5.795 0.000 -0.000 0.000 3/58956 170.0 13.713 13.713 5.393 0.000 -0.000 0.000 3/58956 180.0 12.818 12.818 5.048 0.000 -0.000 0.000 3/58956 190.0 12.037 12.037 4.747 0.000 -0.000 0.000 3/58956 200.0 11.349 11.349 4.483 0.000 -0.000 0.000 3/58956 210.0 10.738 10.738 4.249 0.000 -0.000 0.000 3/58956 220.0 10.192 10.192 4.039 0.000 -0.000 0.000 3/58956 230.0 9.701 9.701 3.851 0.000 -0.000 0.000 3/58956 240.0 9.257 9.257 3.681 0.000 -0.000 0.000 3/58956 250.0 8.853 8.853 3.525 0.000 -0.000 0.000 3/58956 260.0 8.484 8.484 3.383 0.000 -0.000 0.000 3/58956 270.0 8.146 8.146 3.253 0.000 -0.000 0.000 3/58956 280.0 7.834 7.834 3.132 0.000 -0.000 0.000 3/58956 290.0 7.546 7.546 3.021 0.000 -0.000 0.000 3/58956 300.0 7.279 7.279 2.918 0.000 -0.000 0.000 3/58956 310.0 7.031 7.031 2.821 0.000 -0.000 0.000 3/58956 320.0 6.800 6.800 2.731 0.000 -0.000 0.000 3/58956 330.0 6.584 6.584 2.647 0.000 -0.000 0.000 3/58956 340.0 6.381 6.381 2.568 0.000 -0.000 0.000 3/58956 350.0 6.191 6.191 2.494 0.000 -0.000 0.000 3/58956 360.0 6.012 6.012 2.423 0.000 -0.000 0.000 3/58956 370.0 5.844 5.844 2.357 0.000 -0.000 0.000 3/58956 380.0 5.685 5.685 2.295 0.000 -0.000 0.000 3/58956 390.0 5.534 5.534 2.235 0.000 -0.000 0.000 3/58956 400.0 5.391 5.391 2.179 0.000 -0.000 0.000 3/58956 410.0 5.256 5.256 2.126 0.000 -0.000 0.000 3/58956 420.0 5.127 5.127 2.075 0.000 -0.000 0.000 3/58956 430.0 5.005 5.005 2.026 0.000 -0.000 0.000 3/58956 440.0 4.888 4.888 1.980 0.000 -0.000 0.000 3/58956 450.0 4.777 4.777 1.936 0.000 -0.000 0.000 3/58956 460.0 4.671 4.671 1.894 0.000 -0.000 0.000 3/58956 470.0 4.569 4.569 1.854 0.000 -0.000 0.000 3/58956 480.0 4.472 4.472 1.815 0.000 -0.000 0.000 3/58956 490.0 4.379 4.379 1.778 0.000 -0.000 0.000 3/58956 500.0 4.290 4.290 1.742 0.000 -0.000 0.000 3/58956 510.0 4.205 4.205 1.708 0.000 -0.000 0.000 3/58956 520.0 4.122 4.122 1.675 0.000 -0.000 0.000 3/58956 530.0 4.043 4.043 1.644 0.000 -0.000 0.000 3/58956 540.0 3.967 3.967 1.613 0.000 -0.000 0.000 3/58956 550.0 3.894 3.894 1.584 0.000 -0.000 0.000 3/58956 560.0 3.824 3.824 1.556 0.000 -0.000 0.000 3/58956 570.0 3.756 3.756 1.528 0.000 -0.000 0.000 3/58956 580.0 3.690 3.690 1.502 0.000 -0.000 0.000 3/58956 590.0 3.627 3.627 1.477 0.000 -0.000 0.000 3/58956 600.0 3.566 3.566 1.452 0.000 -0.000 0.000 3/58956 610.0 3.507 3.507 1.428 0.000 -0.000 0.000 3/58956 620.0 3.450 3.450 1.405 0.000 -0.000 0.000 3/58956 630.0 3.394 3.394 1.383 0.000 -0.000 0.000 3/58956 640.0 3.341 3.341 1.362 0.000 -0.000 0.000 3/58956 650.0 3.289 3.289 1.341 0.000 -0.000 0.000 3/58956 660.0 3.239 3.239 1.320 0.000 -0.000 0.000 3/58956 670.0 3.190 3.190 1.301 0.000 -0.000 0.000 3/58956 680.0 3.143 3.143 1.282 0.000 -0.000 0.000 3/58956 690.0 3.097 3.097 1.263 0.000 -0.000 0.000 3/58956 700.0 3.052 3.052 1.245 0.000 -0.000 0.000 3/58956 710.0 3.009 3.009 1.228 0.000 -0.000 0.000 3/58956 720.0 2.967 2.967 1.211 0.000 -0.000 0.000 3/58956 730.0 2.926 2.926 1.194 0.000 -0.000 0.000 3/58956 740.0 2.886 2.886 1.178 0.000 -0.000 0.000 3/58956 750.0 2.847 2.847 1.162 0.000 -0.000 0.000 3/58956 760.0 2.810 2.810 1.147 0.000 -0.000 0.000 3/58956 770.0 2.773 2.773 1.132 0.000 -0.000 0.000 3/58956 780.0 2.737 2.737 1.118 0.000 -0.000 0.000 3/58956 790.0 2.702 2.702 1.104 0.000 -0.000 0.000 3/58956 800.0 2.668 2.668 1.090 0.000 -0.000 0.000 3/58956 810.0 2.635 2.635 1.077 0.000 -0.000 0.000 3/58956 820.0 2.603 2.603 1.063 0.000 -0.000 0.000 3/58956 830.0 2.572 2.572 1.051 0.000 -0.000 0.000 3/58956 840.0 2.541 2.541 1.038 0.000 -0.000 0.000 3/58956 850.0 2.511 2.511 1.026 0.000 -0.000 0.000 3/58956 860.0 2.481 2.481 1.014 0.000 -0.000 0.000 3/58956 870.0 2.453 2.453 1.003 0.000 -0.000 0.000 3/58956 880.0 2.425 2.425 0.991 0.000 -0.000 0.000 3/58956 890.0 2.398 2.398 0.980 0.000 -0.000 0.000 3/58956 900.0 2.371 2.371 0.969 0.000 -0.000 0.000 3/58956 910.0 2.345 2.345 0.959 0.000 -0.000 0.000 3/58956 920.0 2.319 2.319 0.948 0.000 -0.000 0.000 3/58956 930.0 2.294 2.294 0.938 0.000 -0.000 0.000 3/58956 940.0 2.270 2.270 0.928 0.000 -0.000 0.000 3/58956 950.0 2.246 2.246 0.918 0.000 -0.000 0.000 3/58956 960.0 2.222 2.222 0.909 0.000 -0.000 0.000 3/58956 970.0 2.199 2.199 0.899 0.000 -0.000 0.000 3/58956 980.0 2.177 2.177 0.890 0.000 -0.000 0.000 3/58956 990.0 2.155 2.155 0.881 0.000 -0.000 0.000 3/58956 1000.0 2.133 2.133 0.873 0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:51:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|