----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:37:19]------------------------- 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 1.734835851084278 1.001607945623320 6.476276749999993 b -1.734835851084275 1.001607945623320 6.476276749999993 c 0.000000000000002 -2.003215891246642 6.476276749999993 Atomic positions (fractional): *1 O 0.22497646810248 0.22497646810248 0.22497646810248 15.999 2 O 0.77502353189752 0.77502353189752 0.77502353189753 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.469671702168553 0.000000000000000 0.000000000000000 b -1.734835851084277 3.004823836869962 0.000000000000000 c 0.000000000000000 0.000000000000000 19.428830250000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22497646810248 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10835686523086 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.55830980143581 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.44169019856419 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89164313476914 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77502353189752 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Y 0.33333333333333 0.66666666666667 0.16666666666667 88.906 > 4 11 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 12 Y 0.66666666666667 0.33333333333333 0.83333333333333 88.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.409015106505660 0.000000000000000 0.000000000000000 b -5.204507553252831 9.014471510609885 0.000000000000000 c 0.000000000000000 0.000000000000000 19.428830250000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22497646810248 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22497646810248 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22497646810248 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22497646810248 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22497646810248 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22497646810248 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22497646810248 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22497646810248 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22497646810248 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10835686523086 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10835686523086 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10835686523086 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10835686523086 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10835686523086 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10835686523086 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10835686523086 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10835686523086 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10835686523086 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.55830980143581 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55830980143581 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55830980143581 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55830980143581 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55830980143581 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55830980143581 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55830980143581 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55830980143581 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55830980143581 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44169019856419 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.44169019856419 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.44169019856419 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.44169019856419 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.44169019856419 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.44169019856419 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.44169019856419 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.44169019856419 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.44169019856419 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89164313476914 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89164313476914 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89164313476914 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89164313476914 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89164313476914 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89164313476914 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89164313476914 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89164313476914 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89164313476914 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77502353189752 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77502353189752 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77502353189752 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77502353189752 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77502353189752 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77502353189752 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77502353189752 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77502353189752 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77502353189752 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 4 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 4 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 4 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 4 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 4 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 4 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 4 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 4 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 4 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 4 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 4 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 4 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 4 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 4 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 4 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 4 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 4 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 4 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 4 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 4 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 4 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 4 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 4 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 4 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 4 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9062262 0.0000000 0.0000000 0.0000000 3.9062262 0.0000000 0.0000000 0.0000000 3.5333494 -------------------------- Born effective charges -------------------------- 1 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 2 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 3 Rb 1.0780558 -0.0000000 0.0000000 0.0000000 1.0780558 0.0000000 0.0000000 0.0000000 1.7344718 4 Y 4.1582848 0.0000000 0.0000000 0.0000000 4.1582848 0.0000000 0.0000000 0.0000000 2.5009362 ---------------------------------------------------------------------------- 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: 0.169 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.176 --------------------------------- 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 00:37:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:37:24]------------------------- 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 1.734835851084278 1.001607945623320 6.476276749999993 b -1.734835851084275 1.001607945623320 6.476276749999993 c 0.000000000000002 -2.003215891246642 6.476276749999993 Atomic positions (fractional): 1 O 0.22497646810248 0.22497646810248 0.22497646810248 15.999 2 O 0.77502353189752 0.77502353189752 0.77502353189753 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.409015106505660 0.000000000000000 0.000000000000000 b -5.204507553252831 9.014471510609885 0.000000000000000 c 0.000000000000000 0.000000000000000 19.428830250000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22497646810248 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22497646810248 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22497646810248 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22497646810248 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22497646810248 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22497646810248 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22497646810248 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22497646810248 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22497646810248 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10835686523086 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10835686523086 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10835686523086 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10835686523086 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10835686523086 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10835686523086 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10835686523086 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10835686523086 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10835686523086 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55830980143581 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55830980143581 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55830980143581 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55830980143581 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55830980143581 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55830980143581 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55830980143581 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55830980143581 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55830980143581 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44169019856419 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44169019856419 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44169019856419 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44169019856419 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44169019856419 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44169019856419 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44169019856419 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44169019856419 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44169019856419 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89164313476914 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89164313476914 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89164313476914 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89164313476914 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89164313476914 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89164313476914 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89164313476914 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89164313476914 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89164313476914 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77502353189752 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77502353189752 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77502353189752 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77502353189752 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77502353189752 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77502353189752 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77502353189752 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77502353189752 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77502353189752 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 82 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 82 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 82 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 82 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 82 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 82 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 82 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 82 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 82 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 82 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 82 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 82 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 82 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 82 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 82 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 82 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 82 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 82 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 82 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 82 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 82 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 82 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 82 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 82 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 82 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 82 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9062262 0.0000000 0.0000000 0.0000000 3.9062262 0.0000000 0.0000000 0.0000000 3.5333494 -------------------------- Born effective charges -------------------------- 1 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 2 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 3 Rb 1.0780558 -0.0000000 0.0000000 0.0000000 1.0780558 0.0000000 0.0000000 0.0000000 1.7344718 4 Y 4.1582848 0.0000000 0.0000000 0.0000000 4.1582848 0.0000000 0.0000000 0.0000000 2.5009362 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:37:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:37:29]------------------------- 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 1.734835851084278 1.001607945623320 6.476276749999993 b -1.734835851084275 1.001607945623320 6.476276749999993 c 0.000000000000002 -2.003215891246642 6.476276749999993 Atomic positions (fractional): 1 O 0.22497646810248 0.22497646810248 0.22497646810248 15.999 2 O 0.77502353189752 0.77502353189752 0.77502353189753 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.409015106505660 0.000000000000000 0.000000000000000 b -5.204507553252831 9.014471510609885 0.000000000000000 c 0.000000000000000 0.000000000000000 19.428830250000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22497646810248 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22497646810248 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22497646810248 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22497646810248 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22497646810248 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22497646810248 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22497646810248 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22497646810248 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22497646810248 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10835686523086 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10835686523086 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10835686523086 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10835686523086 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10835686523086 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10835686523086 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10835686523086 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10835686523086 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10835686523086 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.55830980143581 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.55830980143581 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.55830980143581 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.55830980143581 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.55830980143581 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.55830980143581 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.55830980143581 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.55830980143581 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.55830980143581 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.44169019856419 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.44169019856419 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.44169019856419 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.44169019856419 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.44169019856419 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.44169019856419 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.44169019856419 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.44169019856419 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.44169019856419 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89164313476914 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89164313476914 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89164313476914 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89164313476914 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89164313476914 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89164313476914 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89164313476914 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89164313476914 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89164313476914 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77502353189752 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77502353189752 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77502353189752 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77502353189752 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77502353189752 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77502353189752 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77502353189752 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77502353189752 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77502353189752 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 82 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 82 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 82 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 82 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 82 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 82 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 82 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 82 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 82 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 82 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 82 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 82 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 82 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 82 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 82 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 82 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 82 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 82 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 82 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 82 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 82 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 82 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 82 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 82 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 82 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 82 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9062262 0.0000000 0.0000000 0.0000000 3.9062262 0.0000000 0.0000000 0.0000000 3.5333494 -------------------------- Born effective charges -------------------------- 1 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 2 O -2.6181703 -0.0000000 0.0000000 0.0000000 -2.6181703 0.0000000 0.0000000 0.0000000 -2.1177040 3 Rb 1.0780558 -0.0000000 0.0000000 0.0000000 1.0780558 0.0000000 0.0000000 0.0000000 1.7344718 4 Y 4.1582848 0.0000000 0.0000000 0.0000000 4.1582848 0.0000000 0.0000000 0.0000000 2.5009362 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 1.02, Number of G-points: 301, Lambda: 0.21 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: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 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 2.326 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 13.990 ( 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: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 21.969 12.684 8.338) 26.703 0.640 ( 27.489 15.871 -0.542) 31.746 1.160 ( 46.198 26.673 7.438) 53.861 2.380 ( 4.999 2.886 -0.799) 5.828 2.570 ( 19.539 11.281 -0.434) 22.566 4.656 ( -0.122 -0.071 4.796) 4.798 7.396 ( 3.272 1.889 0.340) 3.794 10.043 ( -19.055 -11.002 -3.966) 22.358 10.397 ( -2.479 -1.431 -0.029) 2.863 10.861 ( 18.488 10.674 -26.492) 34.023 13.811 ( -15.184 -8.766 3.588) 17.896 15.287 ( 4.183 2.415 -8.672) 9.926 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 21.241 12.263 5.923) 25.232 1.215 ( 22.903 13.223 -0.079) 26.446 2.041 ( 29.599 17.089 6.250) 34.745 2.557 ( 11.234 6.486 -1.452) 13.053 3.268 ( 41.204 23.789 0.499) 47.581 4.672 ( 0.805 0.465 0.082) 0.933 7.509 ( 6.624 3.824 0.417) 7.660 9.598 ( -19.461 -11.236 0.004) 22.471 10.318 ( -4.363 -2.519 0.029) 5.038 11.151 ( 12.548 7.244 -15.897) 21.509 13.385 ( -22.985 -13.270 7.697) 27.634 15.330 ( 1.302 0.752 -9.056) 9.180 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 19.918 11.499 3.781) 23.307 1.653 ( 15.707 9.068 0.212) 18.138 2.606 ( 20.524 11.849 4.498) 24.122 2.884 ( 17.849 10.305 -1.632) 20.675 4.309 ( 47.928 27.671 1.084) 55.353 4.691 ( 1.255 0.724 -2.769) 3.125 7.697 ( 9.902 5.717 0.084) 11.434 9.180 ( -16.942 -9.782 -1.058) 19.592 10.208 ( -5.256 -3.034 0.253) 6.074 11.321 ( 6.134 3.542 -12.851) 14.674 12.855 ( -26.052 -15.041 13.137) 32.826 15.277 ( -3.353 -1.936 -10.748) 11.424 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 10.027 5.789 0.133) 11.579 1.957 ( 17.778 10.264 3.138) 20.767 3.028 ( 16.149 9.323 2.306) 18.789 3.323 ( 20.512 11.843 -1.284) 23.720 4.709 ( 1.150 0.664 -4.346) 4.544 5.362 ( 43.765 25.268 0.938) 50.544 7.952 ( 12.566 7.255 -0.634) 14.524 8.849 ( -11.103 -6.411 -3.445) 13.276 10.090 ( -5.091 -2.939 0.690) 5.919 11.340 ( -1.018 -0.588 -14.116) 14.164 12.308 ( -26.302 -15.186 19.703) 36.202 15.125 ( -6.738 -3.890 -11.683) 14.036 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 6.825 3.941 -0.014) 7.881 2.337 ( 14.692 8.482 3.949) 17.418 3.356 ( 12.823 7.404 -0.962) 14.838 3.768 ( 18.537 10.702 -0.832) 21.421 4.708 ( -0.403 -0.232 -3.435) 3.467 6.251 ( 34.045 19.656 0.023) 39.312 8.250 ( 13.746 7.936 -1.542) 15.947 8.689 ( -1.188 -0.686 -5.575) 5.741 9.988 ( -4.136 -2.388 1.305) 4.951 11.184 ( -8.695 -5.020 -16.237) 19.091 11.802 ( -24.021 -13.868 23.672) 36.465 14.924 ( -7.525 -4.344 -10.776) 13.842 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.676 2.700 -0.081) 5.400 2.640 ( 10.892 6.289 4.928) 13.508 3.610 ( 10.553 6.093 -4.318) 12.928 4.137 ( 14.056 8.115 -0.488) 16.238 4.659 ( -3.457 -1.996 -0.943) 4.101 6.884 ( 22.258 12.851 -1.143) 25.726 8.547 ( 12.620 7.286 -2.270) 14.748 8.774 ( 9.912 5.723 -6.281) 13.056 9.914 ( -2.839 -1.639 1.877) 3.778 10.862 ( -15.676 -9.050 -10.028) 20.693 11.375 ( -18.993 -10.966 16.669) 27.547 14.738 ( -6.041 -3.488 -8.028) 10.635 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.792 1.612 -0.074) 3.224 2.856 ( 6.837 3.947 4.454) 9.064 3.810 ( 8.373 4.834 -5.856) 11.304 4.393 ( 8.599 4.964 -0.254) 9.932 4.553 ( -5.660 -3.268 1.473) 6.699 7.276 ( 13.439 7.759 -1.630) 15.604 8.788 ( 8.929 5.155 -2.244) 10.552 9.051 ( 14.872 8.587 -5.638) 18.075 9.870 ( -1.584 -0.915 1.897) 2.635 10.447 ( -18.917 -10.922 -0.107) 21.844 11.055 ( -11.928 -6.887 5.235) 14.734 14.610 ( -3.603 -2.080 -4.581) 6.189 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.933 0.539 -0.029) 1.078 2.971 ( 2.408 1.390 1.850) 3.340 3.941 ( 3.906 2.255 -3.318) 5.599 4.444 ( -3.423 -1.976 1.562) 4.250 4.522 ( 2.878 1.662 -0.079) 3.324 7.486 ( 5.072 2.928 -0.752) 5.905 8.923 ( 3.230 1.865 -0.983) 3.857 9.349 ( 10.571 6.103 -3.450) 12.685 9.851 ( -0.501 -0.289 0.847) 1.026 10.066 ( -12.633 -7.294 2.526) 14.805 10.881 ( -4.021 -2.322 0.587) 4.680 14.547 ( -1.163 -0.671 -1.436) 1.966 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 23.597 22.138) 32.356 0.686 ( 0.000 30.893 9.379) 32.285 1.149 ( 0.000 52.399 5.493) 52.686 2.379 ( 0.000 5.904 -0.880) 5.969 2.564 ( 0.000 22.557 -1.834) 22.631 4.675 ( -0.000 -2.727 8.416) 8.847 7.397 ( 0.000 3.787 0.544) 3.826 9.985 ( 0.000 -16.398 -18.489) 24.713 10.395 ( -0.000 -2.953 -0.570) 3.007 10.788 ( 0.000 28.206 -36.661) 46.256 13.823 ( -0.000 -17.830 5.546) 18.673 15.255 ( 0.000 7.206 -14.202) 15.925 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 9.068 21.044 16.037) 27.969 1.129 ( 11.939 25.868 5.035) 28.932 1.846 ( 21.191 32.099 6.968) 39.089 2.499 ( 5.525 10.302 -1.496) 11.785 3.021 ( 21.227 35.584 -0.922) 41.445 4.672 ( -0.099 -0.226 1.510) 1.530 7.473 ( 3.238 5.672 0.833) 6.584 9.701 ( -9.154 -18.693 -3.612) 21.125 10.336 ( -2.060 -4.088 -0.732) 4.636 11.013 ( 8.260 17.186 -24.968) 31.416 13.535 ( -11.784 -22.201 8.459) 26.519 15.296 ( 1.312 4.217 -11.908) 12.700 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 13.799 17.068 9.825) 24.047 1.563 ( 11.377 18.383 2.706) 21.788 2.435 ( 17.903 18.206 5.704) 26.163 2.769 ( 11.510 16.495 -1.728) 20.188 3.910 ( 36.599 39.647 0.286) 53.958 4.677 ( 0.474 0.926 -2.349) 2.569 7.622 ( 6.523 7.517 0.826) 9.987 9.323 ( -13.804 -15.447 -0.663) 20.727 10.248 ( -3.227 -3.986 -0.413) 5.145 11.204 ( 7.103 7.581 -18.729) 21.418 13.086 ( -17.858 -22.941 12.866) 31.792 15.278 ( -2.129 0.338 -11.918) 12.112 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 14.426 13.388 5.389) 20.406 1.885 ( 8.437 12.744 2.177) 15.438 2.875 ( 14.985 12.459 3.753) 19.846 3.185 ( 15.310 21.212 -1.327) 26.194 4.677 ( 2.300 1.564 -6.723) 7.276 4.951 ( 38.085 34.727 2.689) 51.610 7.844 ( 9.525 9.258 0.410) 13.290 8.958 ( -12.464 -11.205 -2.124) 16.894 10.152 ( -4.301 -2.292 0.051) 4.874 11.272 ( 2.541 -0.063 -17.114) 17.302 12.585 ( -20.314 -21.828 18.392) 35.034 15.159 ( -5.843 -2.879 -12.368) 13.979 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 6.047 8.717 0.660) 10.629 2.201 ( 13.422 11.316 4.857) 18.215 3.215 ( 12.377 8.463 0.573) 15.005 3.657 ( 14.439 22.546 -0.832) 26.786 4.690 ( 0.894 0.383 -5.206) 5.296 5.897 ( 34.507 27.990 0.976) 44.442 8.121 ( 11.461 10.417 -0.355) 15.492 8.702 ( -5.772 -5.838 -4.299) 9.268 10.063 ( -4.931 0.201 0.601) 4.972 11.180 ( -3.536 -6.098 -17.651) 19.007 12.096 ( -20.688 -19.327 22.374) 36.085 14.967 ( -7.347 -4.885 -11.638) 14.604 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 3.306 7.503 0.237) 8.202 2.529 ( 11.846 7.976 4.980) 15.124 3.472 ( 10.632 5.643 -3.530) 12.543 4.083 ( 10.139 21.486 -0.644) 23.767 4.677 ( -1.030 -1.059 -2.260) 2.700 6.638 ( 24.776 19.441 -0.129) 31.493 8.416 ( 11.450 9.640 -1.326) 15.026 8.657 ( 5.574 1.312 -5.505) 7.944 9.993 ( -5.182 2.316 1.202) 5.802 10.938 ( -9.149 -10.152 -14.847) 20.179 11.645 ( -19.909 -15.280 19.769) 31.948 14.766 ( -6.024 -5.720 -9.076) 12.304 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.226 6.716 0.046) 6.827 2.780 ( 8.531 4.706 4.678) 10.808 3.674 ( 9.773 3.835 -6.856) 12.539 4.401 ( 4.426 17.669 -0.703) 18.228 4.618 ( -4.077 -1.037 1.530) 4.477 7.122 ( 15.282 12.015 -1.157) 19.474 8.676 ( 10.370 6.735 -2.113) 12.544 8.866 ( 14.000 7.554 -5.140) 16.718 9.935 ( -5.248 2.343 1.717) 5.998 10.601 ( -13.319 -12.112 -6.783) 19.238 11.256 ( -16.690 -8.707 10.419) 21.516 14.609 ( -3.024 -5.738 -5.401) 8.440 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -0.810 5.905 -0.055) 5.960 2.933 ( 4.490 1.576 2.611) 5.428 3.836 ( 8.214 2.042 -7.505) 11.312 4.485 ( -3.369 -2.690 3.004) 5.255 4.628 ( -3.503 16.414 0.599) 16.794 7.409 ( 8.559 6.404 -1.223) 10.759 8.872 ( 6.111 4.651 -1.678) 7.860 9.197 ( 16.233 9.132 -4.543) 19.172 9.849 ( -6.382 -3.405 2.460) 7.641 10.245 ( -13.185 -8.571 -0.420) 15.731 10.998 ( -10.233 -0.637 2.393) 10.529 14.521 ( 0.136 -5.170 -1.830) 5.486 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -2.801 4.871 -0.097) 5.620 2.975 ( -0.070 -1.279 -0.865) 1.546 3.927 ( 3.222 -1.398 -3.628) 5.050 4.426 ( -0.643 -1.207 3.152) 3.436 4.685 ( -8.355 14.409 -0.053) 16.656 7.518 ( 0.060 0.561 -0.267) 0.624 8.950 ( -0.264 1.355 -0.288) 1.410 9.513 ( -0.815 12.166 -0.387) 12.199 9.647 ( 3.978 -16.500 1.105) 17.009 10.081 ( -2.357 3.382 -0.775) 4.194 10.910 ( -3.203 4.922 -0.484) 5.892 14.500 ( 2.868 -3.995 1.210) 5.064 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -4.657 3.584 -0.104) 5.877 2.904 ( -4.565 -3.444 -3.807) 6.870 3.881 ( -4.044 -5.290 2.177) 7.005 4.473 ( 4.212 1.424 0.645) 4.493 4.624 ( -13.125 11.149 -0.303) 17.224 7.419 ( -9.360 -4.237 0.930) 10.316 8.886 ( -6.463 -2.858 1.346) 7.194 9.243 ( -15.791 -9.533 5.517) 19.253 9.830 ( 6.674 3.964 -1.753) 7.957 10.235 ( 14.558 8.626 -2.680) 17.132 10.975 ( 4.179 7.087 -2.646) 8.642 14.548 ( 5.339 -2.112 4.041) 7.020 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -6.365 2.145 -0.086) 6.717 2.736 ( -8.631 -4.979 -4.830) 11.073 3.723 ( -8.301 -6.676 3.747) 11.292 4.407 ( -17.770 5.278 0.529) 18.545 4.611 ( 4.104 3.036 -0.068) 5.106 7.133 ( -18.097 -7.623 1.293) 19.679 8.696 ( -10.984 -5.702 2.146) 12.560 8.917 ( -13.131 -8.884 5.974) 16.942 9.920 ( 0.377 6.192 -1.369) 6.353 10.644 ( 21.428 8.272 1.999) 23.056 11.163 ( 11.403 7.527 -9.344) 16.553 14.665 ( 7.633 0.313 6.813) 10.236 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -8.112 0.672 -0.041) 8.140 2.487 ( -12.646 -6.136 -4.033) 14.623 3.498 ( -11.399 -6.876 2.340) 13.516 4.088 ( -23.597 1.958 0.483) 23.683 4.695 ( 2.749 0.740 1.632) 3.281 6.641 ( -29.612 -12.186 0.599) 32.027 8.430 ( -14.284 -5.695 1.629) 15.464 8.710 ( -3.986 -4.690 6.004) 8.598 9.982 ( 0.567 6.091 -1.279) 6.250 11.070 ( 16.390 4.629 13.966) 22.025 11.454 ( 20.058 8.574 -22.027) 31.001 14.848 ( 9.171 2.515 8.876) 13.008 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -10.748 -1.277 0.001) 10.824 2.168 ( -16.364 -6.151 -2.429) 17.650 3.212 ( -15.030 -6.896 -0.082) 16.536 3.664 ( -26.480 -1.343 0.721) 26.524 4.726 ( 0.109 -0.290 2.678) 2.696 5.891 ( -41.901 -16.197 -0.186) 44.923 8.127 ( -14.922 -5.337 0.883) 15.872 8.741 ( 7.226 1.330 4.366) 8.546 10.056 ( 2.429 4.707 -0.936) 5.379 11.325 ( 6.213 0.259 13.211) 14.601 11.898 ( 28.471 9.595 -20.139) 36.170 15.063 ( 8.884 3.417 9.245) 13.269 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -20.049 -6.850 -1.156) 21.219 1.875 ( -14.951 -1.472 -0.053) 15.024 2.849 ( -19.582 -6.778 -1.929) 20.812 3.195 ( -25.682 -2.824 0.974) 25.855 4.717 ( -1.418 -0.380 1.831) 2.347 4.936 ( -50.463 -16.527 -0.282) 53.101 7.843 ( -12.942 -4.069 0.261) 13.569 8.977 ( 15.150 4.516 1.950) 15.929 10.149 ( 4.295 2.872 -0.523) 5.193 11.390 ( -0.949 -1.687 7.862) 8.097 12.445 ( 30.524 8.293 -11.431) 33.633 15.251 ( 6.175 2.609 7.629) 10.156 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -23.577 -5.375 -1.069) 24.205 1.552 ( -21.787 -1.811 0.359) 21.866 2.398 ( -25.988 -5.761 -2.319) 26.720 2.780 ( -19.813 -2.019 0.768) 19.931 3.905 ( -52.684 -11.297 -0.639) 53.886 4.691 ( -1.666 -0.353 0.795) 1.879 7.618 ( -9.870 -2.118 -0.063) 10.094 9.327 ( 20.046 4.199 0.187) 20.482 10.250 ( 5.170 1.129 -0.175) 5.295 11.318 ( -7.611 -1.920 5.347) 9.497 13.002 ( 29.525 5.352 -4.902) 30.404 15.355 ( 1.667 0.875 4.492) 4.871 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -25.591 -0.000 0.000) 25.591 1.106 ( -29.145 -0.000 0.000) 29.145 1.814 ( -39.661 -0.000 0.000) 39.661 2.506 ( -11.599 -0.000 0.000) 11.599 3.025 ( -41.076 -0.000 0.000) 41.076 4.664 ( -1.323 -0.000 0.000) 1.323 7.469 ( -6.544 -0.000 0.000) 6.544 9.717 ( 22.670 0.000 -0.000) 22.670 10.339 ( 4.600 0.000 -0.000) 4.600 11.134 ( -13.713 -0.000 0.000) 13.713 13.493 ( 25.189 0.000 -0.000) 25.189 15.354 ( -2.679 -0.000 0.000) 2.679 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 22.440 19.111) 29.475 1.293 ( 0.000 24.851 7.964) 26.096 2.028 ( 0.000 33.693 5.217) 34.095 2.558 ( 0.000 13.411 -1.393) 13.483 3.249 ( 0.000 47.391 -1.513) 47.415 4.674 ( -0.000 0.104 0.099) 0.144 7.515 ( 0.000 7.877 1.114) 7.955 9.563 ( -0.000 -19.370 -3.783) 19.736 10.307 ( -0.000 -5.287 -1.101) 5.400 11.050 ( 0.000 16.850 -24.377) 29.634 13.409 ( -0.000 -27.864 9.401) 29.407 15.297 ( 0.000 4.630 -11.749) 12.629 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 3.289 20.688 14.450) 25.448 1.612 ( 7.018 19.121 6.168) 21.282 2.422 ( 9.288 23.891 4.939) 26.105 2.776 ( 7.771 18.886 -1.326) 20.465 3.890 ( 17.351 50.333 -1.001) 53.249 4.679 ( 0.068 1.793 -2.299) 2.917 7.631 ( 2.952 9.869 1.388) 10.394 9.322 ( -5.941 -17.915 -0.585) 18.883 10.236 ( -1.186 -5.310 -1.222) 5.577 11.142 ( 2.922 9.400 -22.029) 24.128 13.085 ( -8.026 -29.158 12.229) 32.621 15.287 ( -1.590 1.696 -11.157) 11.397 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 7.571 16.885 8.765) 20.476 1.906 ( 6.430 14.140 4.736) 16.239 2.807 ( 10.674 16.698 3.833) 20.185 3.171 ( 13.373 24.560 -0.901) 27.979 4.609 ( 8.810 11.861 -8.538) 17.065 4.829 ( 18.566 35.240 3.718) 40.004 7.817 ( 6.010 11.681 1.548) 13.228 9.023 ( -9.923 -13.998 -0.689) 17.172 10.170 ( -1.022 -3.386 -0.823) 3.631 11.174 ( 2.104 0.650 -20.584) 20.701 12.671 ( -12.333 -27.719 16.522) 34.546 15.195 ( -5.220 -1.725 -11.143) 12.426 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 7.288 12.313 2.821) 14.583 2.157 ( 7.475 12.252 6.152) 15.615 3.123 ( 9.555 11.040 1.207) 14.651 3.669 ( 14.327 27.748 -0.459) 31.232 4.661 ( 1.186 1.214 -6.592) 6.807 5.673 ( 28.427 36.578 1.740) 46.358 8.068 ( 8.485 13.062 1.417) 15.640 8.740 ( -8.479 -8.936 -2.606) 12.591 10.132 ( -1.742 0.521 -0.332) 1.848 11.092 ( -0.911 -6.957 -19.944) 21.143 12.242 ( -14.264 -24.682 20.083) 34.871 15.016 ( -7.945 -4.513 -10.863) 14.195 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 3.364 10.335 1.066) 10.921 2.441 ( 10.089 9.630 5.737) 15.081 3.357 ( 8.389 6.455 -2.718) 10.928 4.162 ( 10.689 28.221 -0.654) 30.185 4.668 ( 0.480 0.538 -3.184) 3.264 6.442 ( 24.244 26.470 0.839) 35.905 8.349 ( 8.634 11.728 0.753) 14.583 8.590 ( -0.028 -1.753 -4.087) 4.447 10.114 ( -3.621 4.900 -0.144) 6.094 10.894 ( -4.429 -11.770 -17.473) 21.528 11.832 ( -15.095 -20.307 19.480) 31.933 14.792 ( -7.840 -6.563 -9.369) 13.868 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.042 9.976 0.735) 10.057 2.697 ( 8.727 6.034 4.748) 11.623 3.530 ( 8.478 3.365 -6.532) 11.219 4.517 ( 2.397 14.245 -1.595) 14.533 4.703 ( 0.359 12.555 1.723) 12.677 6.995 ( 15.924 16.676 0.003) 23.058 8.548 ( 9.190 3.001 -1.906) 9.853 8.733 ( 9.844 10.421 -2.477) 14.547 10.091 ( -6.425 7.003 -0.420) 9.513 10.624 ( -7.478 -13.251 -11.118) 18.845 11.460 ( -14.579 -13.393 13.509) 23.967 14.585 ( -4.827 -7.986 -6.496) 11.370 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -1.316 9.737 0.365) 9.832 2.873 ( 5.577 2.275 2.988) 6.724 3.679 ( 8.976 1.474 -8.456) 12.420 4.524 ( -3.061 -2.606 2.988) 5.008 4.916 ( -3.772 27.041 0.522) 27.308 7.328 ( 9.376 9.093 -0.559) 13.073 8.767 ( 12.084 3.655 -1.125) 12.674 9.004 ( 11.656 8.027 -3.106) 14.490 10.018 ( -9.582 5.522 -0.515) 11.071 10.326 ( -9.801 -11.908 -3.322) 15.776 11.185 ( -11.058 -3.153 5.485) 12.740 14.443 ( -0.453 -8.616 -2.989) 9.131 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -3.790 9.021 0.011) 9.785 2.947 ( 1.839 -0.903 0.100) 2.051 3.803 ( 7.492 -0.635 -7.396) 10.547 4.450 ( -2.846 -3.015 5.176) 6.632 5.054 ( -10.748 25.753 -0.076) 27.906 7.499 ( 3.845 2.875 -0.504) 4.827 8.956 ( 3.827 4.618 0.165) 6.000 9.260 ( 16.109 -3.734 -3.026) 16.811 9.857 ( -15.602 6.936 1.381) 17.130 10.109 ( -2.912 -5.361 -0.577) 6.127 11.055 ( -6.948 4.765 0.215) 8.428 14.385 ( 3.678 -8.030 0.342) 8.839 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -6.002 7.467 -0.268) 9.584 2.921 ( -2.217 -2.618 -2.606) 4.308 3.850 ( 2.004 -4.235 -2.943) 5.533 4.431 ( 1.593 -0.540 3.590) 3.965 5.053 ( -17.053 22.172 -0.228) 27.973 7.504 ( -3.753 -1.950 0.035) 4.230 8.962 ( -4.834 -1.466 0.809) 5.116 9.313 ( -1.104 -15.899 2.634) 16.153 9.828 ( 0.351 18.834 -1.674) 18.912 10.115 ( 5.827 0.979 -0.085) 5.910 11.026 ( -2.694 6.435 -2.714) 7.486 14.413 ( 7.020 -6.013 3.189) 9.778 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -7.644 5.325 -0.437) 9.326 2.809 ( -6.392 -3.219 -3.887) 8.145 3.773 ( -4.024 -6.457 1.259) 7.712 4.504 ( 4.906 0.975 1.266) 5.160 4.909 ( -22.187 16.820 -0.279) 27.843 7.339 ( -12.132 -4.289 0.586) 12.881 8.799 ( -8.024 -8.144 2.275) 11.657 9.067 ( -12.121 -8.759 3.608) 15.384 10.020 ( -0.810 14.478 0.015) 14.500 10.355 ( 19.274 5.055 -1.136) 19.958 11.074 ( 3.715 4.487 -5.692) 8.145 14.524 ( 9.673 -2.947 5.402) 11.464 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -8.885 3.256 -0.429) 9.472 2.621 ( -10.393 -3.646 -3.551) 11.573 3.611 ( -8.186 -6.074 2.164) 10.420 4.541 ( -13.470 5.639 0.875) 14.629 4.685 ( -8.795 5.444 -0.102) 10.344 7.000 ( -22.612 -6.356 0.524) 23.494 8.589 ( -8.725 -6.425 2.492) 11.119 8.791 ( -11.541 -6.364 3.561) 13.652 10.092 ( -4.251 10.760 -0.047) 11.570 10.792 ( 24.149 4.795 4.614) 25.049 11.203 ( 10.252 2.759 -11.962) 15.994 14.710 ( 11.445 0.063 6.524) 13.175 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -10.398 1.623 -0.199) 10.526 2.368 ( -13.987 -3.758 -2.251) 14.657 3.391 ( -12.214 -4.640 1.111) 13.113 4.170 ( -29.997 4.699 0.269) 30.364 4.710 ( 2.266 0.043 1.100) 2.519 6.435 ( -35.551 -8.349 0.120) 36.518 8.349 ( -15.151 -3.190 0.770) 15.503 8.664 ( 1.855 -2.905 3.701) 5.057 10.111 ( -2.885 6.484 -0.459) 7.112 11.211 ( 13.743 0.260 16.607) 21.558 11.444 ( 23.932 4.657 -22.330) 33.061 14.938 ( 11.643 1.700 5.995) 13.206 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -17.550 -1.969 -0.422) 17.665 2.101 ( -12.641 -0.317 -0.428) 12.653 3.111 ( -16.739 -2.856 -0.114) 16.982 3.676 ( -30.780 1.021 0.292) 30.798 4.732 ( 0.064 -0.161 0.951) 0.967 5.655 ( -46.644 -6.734 -0.109) 47.128 8.057 ( -15.550 -1.983 0.223) 15.678 8.782 ( 11.106 0.652 1.692) 11.253 10.131 ( 0.498 2.544 -0.353) 2.616 11.368 ( 4.159 -0.882 4.998) 6.562 11.940 ( 31.765 3.450 -7.814) 32.893 15.154 ( 9.732 1.434 3.689) 10.506 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -21.719 -0.000 0.000) 21.719 1.865 ( -15.844 -0.000 0.000) 15.844 2.771 ( -21.343 -0.000 0.000) 21.343 3.180 ( -27.426 -0.000 0.000) 27.426 4.719 ( -1.460 -0.000 0.000) 1.460 4.763 ( -53.244 -0.000 0.000) 53.244 7.802 ( -13.052 -0.000 0.000) 13.052 9.030 ( 16.778 0.000 -0.000) 16.778 10.178 ( 3.614 0.000 -0.000) 3.614 11.393 ( -1.460 -0.000 0.000) 1.460 12.492 ( 32.045 0.000 -0.000) 32.045 15.302 ( 5.997 0.000 -0.000) 5.997 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 19.427 15.070) 24.587 1.731 ( 0.000 15.784 5.303) 16.651 2.602 ( 0.000 23.868 4.220) 24.239 2.893 ( 0.000 21.224 -1.034) 21.249 4.255 ( 0.000 50.292 -2.585) 50.359 4.705 ( 0.000 6.847 -1.945) 7.118 7.719 ( 0.000 12.017 1.534) 12.115 9.200 ( -0.000 -16.178 0.725) 16.194 10.182 ( -0.000 -6.484 -1.438) 6.641 11.129 ( 0.000 5.515 -23.459) 24.098 12.887 ( -0.000 -31.540 13.199) 34.190 15.285 ( 0.000 0.734 -9.829) 9.856 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.988 14.391 6.596) 15.955 1.967 ( 4.444 14.391 9.115) 17.605 2.871 ( 4.302 19.647 3.236) 20.371 3.201 ( 10.100 24.144 -0.632) 26.179 4.599 ( 2.374 8.875 -8.343) 12.410 4.999 ( 8.976 45.209 2.907) 46.183 7.874 ( 2.823 13.780 1.769) 14.177 9.018 ( -5.094 -12.773 1.131) 13.798 10.121 ( 0.872 -5.435 -1.334) 5.664 11.086 ( 0.474 -1.412 -23.663) 23.710 12.577 ( -5.121 -30.610 15.663) 34.764 15.225 ( -3.455 -1.620 -9.042) 9.814 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 5.612 11.472 3.020) 13.124 2.198 ( 4.560 12.076 8.337) 15.366 3.125 ( 4.974 13.971 0.829) 14.853 3.677 ( 15.998 26.440 -0.269) 30.904 4.640 ( 0.866 2.483 -7.035) 7.511 5.686 ( 16.772 43.115 1.986) 46.305 8.094 ( 5.610 15.125 2.231) 16.286 8.796 ( -8.400 -8.154 -0.513) 11.718 10.113 ( 2.872 -1.801 -0.873) 3.501 10.966 ( -0.689 -8.395 -22.575) 24.095 12.227 ( -8.021 -27.874 17.764) 34.013 15.077 ( -7.412 -4.112 -8.731) 12.169 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 5.595 10.188 1.556) 11.727 2.417 ( 6.227 9.722 6.947) 13.474 3.310 ( 4.394 8.242 -2.851) 9.766 4.218 ( 15.426 27.040 -0.802) 31.141 4.660 ( 1.053 2.615 -3.175) 4.246 6.367 ( 18.267 32.491 1.242) 37.295 8.356 ( 6.147 13.880 2.406) 15.370 8.609 ( -5.384 -1.554 -2.284) 6.052 10.172 ( 2.648 3.907 -0.862) 4.798 10.768 ( -2.217 -13.344 -19.595) 23.811 11.875 ( -9.462 -24.232 17.460) 31.330 14.852 ( -9.658 -6.320 -8.225) 14.173 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.133 10.053 1.870) 10.694 2.638 ( 7.490 7.052 4.629) 11.281 3.428 ( 4.859 3.649 -6.386) 8.815 4.565 ( 1.858 5.476 -2.004) 6.120 4.833 ( 8.527 24.314 2.051) 25.847 6.917 ( 14.679 20.875 0.666) 25.528 8.463 ( 1.396 1.367 -1.328) 2.363 8.711 ( 7.004 13.863 0.519) 15.541 10.242 ( -2.156 7.865 -3.440) 8.851 10.537 ( -2.311 -13.735 -12.475) 18.698 11.547 ( -9.387 -18.856 14.044) 25.316 14.596 ( -8.646 -8.315 -6.892) 13.835 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.684 10.464 1.687) 10.621 2.815 ( 5.421 3.686 2.523) 7.025 3.525 ( 6.995 0.794 -8.261) 10.854 4.557 ( -2.475 -1.723 2.544) 3.946 5.230 ( 2.611 31.153 0.694) 31.270 7.269 ( 8.892 10.498 0.265) 13.760 8.574 ( 10.336 2.254 -0.936) 10.620 8.957 ( 5.970 11.201 -0.009) 12.693 10.163 ( -5.639 -4.543 -10.358) 12.638 10.393 ( -6.682 1.327 0.724) 6.850 11.301 ( -6.537 -9.233 8.102) 13.915 14.375 ( -4.348 -9.960 -4.516) 11.769 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -2.599 11.007 0.830) 11.340 2.902 ( 2.522 -0.244 0.414) 2.568 3.634 ( 8.460 -0.907 -7.961) 11.652 4.490 ( -3.524 -2.952 4.975) 6.773 5.502 ( -7.191 31.532 -0.034) 32.341 7.447 ( 5.172 2.522 0.073) 5.755 8.824 ( 15.063 2.549 0.823) 15.300 9.093 ( 1.477 2.169 -1.492) 3.019 9.998 ( -1.374 -8.244 -7.599) 11.296 10.274 ( -13.988 9.809 4.366) 17.633 11.194 ( -4.378 1.198 1.896) 4.919 14.241 ( 1.647 -10.423 -1.436) 10.650 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -6.304 9.199 -0.390) 11.159 2.913 ( 0.171 -1.389 -0.987) 1.713 3.725 ( 6.384 -3.232 -5.709) 9.154 4.432 ( -1.560 -2.058 4.954) 5.587 5.596 ( -16.500 28.580 -0.281) 33.003 7.503 ( 1.427 -2.528 -0.001) 2.903 9.026 ( -5.141 -6.633 -0.975) 8.449 9.088 ( 12.017 -1.133 2.397) 12.306 9.932 ( 3.449 -3.786 -6.178) 8.024 10.206 ( -9.793 16.725 5.825) 20.238 11.144 ( -5.161 4.018 -2.526) 7.011 14.222 ( 7.201 -8.773 1.565) 11.457 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -7.920 4.899 -1.165) 9.386 2.873 ( -4.171 0.349 -1.686) 4.512 3.736 ( 1.294 -5.506 -1.869) 5.957 4.443 ( 2.863 -0.225 2.622) 3.889 5.499 ( -23.947 21.943 -0.246) 32.481 7.446 ( -4.541 -3.723 0.050) 5.873 8.823 ( -6.296 -12.179 0.854) 13.737 9.155 ( -3.789 -2.273 2.669) 5.162 10.057 ( 14.538 2.830 -5.153) 15.682 10.282 ( -5.061 17.533 6.031) 19.220 11.080 ( -3.070 0.722 -5.467) 6.312 14.318 ( 11.111 -5.354 3.577) 12.842 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -8.436 2.100 -1.100) 8.762 2.760 ( -9.081 0.405 -1.746) 9.256 3.661 ( -3.461 -4.992 0.637) 6.108 4.524 ( 5.274 0.403 0.815) 5.352 5.218 ( -29.010 13.083 -0.147) 31.824 7.266 ( -13.486 -3.117 0.105) 13.842 8.619 ( -4.851 -9.378 2.063) 10.759 8.979 ( -13.131 -2.577 1.462) 13.461 10.324 ( -5.016 13.980 -0.424) 14.858 10.433 ( 19.777 3.391 2.743) 20.252 11.058 ( 4.398 -2.086 -6.717) 8.295 14.505 ( 13.313 -1.852 4.004) 14.025 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -9.095 0.806 -0.543) 9.147 2.567 ( -12.743 -0.491 -1.023) 12.794 3.530 ( -7.834 -2.593 0.749) 8.286 4.601 ( -0.448 0.919 0.387) 1.093 4.801 ( -26.710 4.297 -0.058) 27.054 6.907 ( -25.770 -2.774 0.058) 25.919 8.500 ( -3.791 -3.081 1.292) 5.053 8.721 ( -12.728 -2.077 0.964) 12.933 10.277 ( -9.168 6.092 0.338) 11.013 10.888 ( 27.228 1.829 4.692) 27.690 11.146 ( 9.390 -0.891 -7.954) 12.338 14.741 ( 13.854 0.105 2.728) 14.120 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -10.663 -0.000 0.000) 10.663 2.324 ( -15.034 -0.000 0.000) 15.034 3.347 ( -12.497 -0.000 0.000) 12.497 4.225 ( -32.198 -0.000 0.000) 32.198 4.713 ( 2.117 0.000 -0.000) 2.117 6.348 ( -37.877 -0.000 0.000) 37.877 8.319 ( -15.535 -0.000 0.000) 15.535 8.646 ( 4.390 0.000 -0.000) 4.390 10.182 ( -4.824 -0.000 0.000) 4.824 11.271 ( 7.561 0.000 -0.000) 7.561 11.408 ( 30.894 0.000 -0.000) 30.894 14.975 ( 12.593 0.000 -0.000) 12.593 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.000 9.444 2.618) 9.800 2.114 ( 0.000 14.614 11.234) 18.433 3.039 ( 0.000 18.734 2.014) 18.842 3.339 ( 0.000 23.668 -0.573) 23.675 4.622 ( 0.000 4.361 -7.936) 9.055 5.405 ( 0.000 49.363 2.390) 49.421 7.996 ( 0.000 15.064 1.351) 15.124 8.961 ( -0.000 -8.719 2.368) 9.035 10.047 ( -0.000 -6.149 -1.245) 6.274 10.971 ( 0.000 -6.420 -25.245) 26.048 12.365 ( -0.000 -30.242 15.933) 34.182 15.212 ( 0.000 -2.597 -7.273) 7.723 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 3.865 8.084 1.691) 9.119 2.290 ( 1.744 11.528 9.287) 14.906 3.220 ( 1.141 14.674 -0.564) 14.729 3.671 ( 11.852 23.360 -0.456) 26.199 4.638 ( 0.301 3.170 -6.512) 7.249 5.934 ( 6.382 44.370 1.964) 44.870 8.178 ( 3.178 15.796 1.393) 16.173 8.858 ( -5.506 -3.780 1.411) 6.826 10.019 ( 3.563 -4.095 -0.711) 5.475 10.806 ( -0.164 -11.610 -23.990) 26.652 12.096 ( -3.409 -28.132 15.870) 32.480 15.121 ( -4.705 -4.097 -6.332) 8.889 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 6.914 7.780 1.165) 10.473 2.453 ( 3.025 8.580 7.518) 11.802 3.347 ( 0.648 9.350 -4.183) 10.263 4.163 ( 18.321 22.629 -0.900) 29.129 4.663 ( 1.089 3.470 -2.698) 4.528 6.469 ( 9.626 34.836 1.357) 36.167 8.413 ( 5.120 15.194 2.104) 16.170 8.724 ( -8.135 1.879 -0.768) 8.385 10.095 ( 7.720 0.465 -0.236) 7.737 10.597 ( -1.095 -14.892 -20.498) 25.360 11.803 ( -5.469 -25.423 14.530) 29.788 14.935 ( -9.164 -5.658 -6.006) 12.331 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 7.069 8.019 1.754) 10.833 2.610 ( 4.934 6.177 5.088) 9.401 3.404 ( 0.496 4.532 -7.177) 8.503 4.566 ( 4.524 6.980 -1.977) 8.550 4.852 ( 15.127 19.136 2.338) 24.505 6.927 ( 9.729 23.377 0.776) 25.333 8.531 ( -5.154 5.319 -0.076) 7.407 8.757 ( 4.470 14.623 0.967) 15.321 10.263 ( 5.946 4.886 -4.395) 8.862 10.371 ( 0.599 -14.404 -12.273) 18.933 11.512 ( -5.894 -21.829 12.121) 25.655 14.675 ( -11.499 -7.207 -5.758) 14.742 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 4.303 7.201 3.840) 9.226 2.773 ( 6.012 5.425 0.964) 8.155 3.426 ( 2.273 0.913 -8.285) 8.639 4.594 ( -1.992 0.170 2.226) 2.991 5.376 ( 15.233 26.624 0.977) 30.690 7.242 ( 6.619 11.707 0.431) 13.456 8.523 ( -0.271 6.040 -0.069) 6.046 8.990 ( 4.662 12.593 1.337) 13.494 10.097 ( -3.710 -14.076 -13.012) 19.525 10.500 ( 4.303 10.405 0.308) 11.264 11.276 ( -2.757 -15.641 9.082) 18.295 14.390 ( -10.210 -8.816 -4.978) 14.378 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 3.399 4.399 3.623) 6.636 2.895 ( 0.804 6.619 -1.288) 6.791 3.468 ( 6.172 -1.596 -7.591) 9.913 4.544 ( -3.862 -1.617 4.169) 5.909 5.840 ( 5.529 30.051 0.194) 30.556 7.384 ( 3.328 0.701 0.326) 3.417 8.654 ( 8.024 5.862 1.531) 10.055 9.131 ( 0.041 6.237 -0.039) 6.237 9.880 ( -1.287 -13.274 -8.724) 15.936 10.591 ( -7.403 12.552 1.703) 14.671 11.203 ( 2.922 -4.636 4.235) 6.925 14.152 ( -4.770 -10.008 -3.180) 11.534 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( 0.638 -1.502 -0.936) 1.881 2.941 ( -3.441 10.393 1.163) 11.010 3.550 ( 8.052 -3.284 -5.920) 10.520 4.471 ( -3.676 -1.962 4.343) 6.019 6.118 ( -8.818 30.773 -0.258) 32.013 7.404 ( 3.955 -7.386 0.341) 8.386 8.858 ( 8.393 -0.722 1.597) 8.574 9.123 ( -3.370 3.458 0.300) 4.838 9.766 ( 4.248 -10.244 -5.795) 12.512 10.568 ( -10.161 15.104 3.957) 18.629 11.228 ( -1.105 1.362 -1.051) 2.045 14.036 ( 3.341 -9.279 -0.564) 9.878 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -4.676 -0.552 -2.022) 5.125 2.974 ( -4.140 6.806 1.044) 8.034 3.618 ( 5.672 -4.309 -3.327) 7.861 4.426 ( -0.677 -0.990 2.901) 3.139 6.118 ( -22.294 23.098 -0.279) 32.104 7.401 ( 4.083 -7.349 0.176) 8.409 8.805 ( -4.975 -9.277 -0.410) 10.535 9.192 ( 1.108 4.692 3.121) 5.743 9.803 ( 11.782 -4.796 -4.232) 13.406 10.597 ( -7.022 17.410 5.508) 19.564 11.147 ( -6.972 -1.880 -4.897) 8.725 14.082 ( 10.346 -5.947 1.458) 12.023 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -6.689 -0.125 -1.089) 6.778 2.922 ( -7.883 2.920 -0.046) 8.407 3.636 ( 1.545 -3.023 -0.669) 3.460 4.451 ( 3.342 -0.070 0.933) 3.470 5.834 ( -29.355 10.167 -0.109) 31.066 7.376 ( -2.399 -2.593 -0.002) 3.533 8.628 ( -5.622 -6.042 0.417) 8.263 9.157 ( -8.268 0.057 1.130) 8.345 10.055 ( 20.238 0.179 -1.538) 20.297 10.668 ( -8.934 15.953 6.130) 19.285 10.970 ( -2.785 -8.063 -6.632) 10.805 14.259 ( 13.923 -2.115 1.611) 14.175 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -7.874 -0.000 0.000) 7.874 2.771 ( -11.102 -0.000 0.000) 11.102 3.609 ( -2.958 -0.000 0.000) 2.958 4.530 ( 5.353 0.000 -0.000) 5.353 5.356 ( -31.831 -0.000 0.000) 31.831 7.232 ( -13.775 -0.000 0.000) 13.775 8.525 ( -2.995 -0.000 0.000) 2.995 8.960 ( -14.096 -0.000 0.000) 14.096 10.426 ( 17.962 0.000 -0.000) 17.962 10.549 ( -7.580 -0.000 0.000) 7.580 10.982 ( 7.737 0.000 -0.000) 7.737 14.499 ( 14.777 0.000 -0.000) 14.777 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 6.226 0.890) 6.290 2.406 ( 0.000 9.364 8.296) 12.510 3.342 ( 0.000 12.176 -3.289) 12.613 3.778 ( 0.000 20.914 -0.522) 20.920 4.649 ( 0.000 3.240 -4.949) 5.915 6.308 ( 0.000 39.968 1.716) 40.005 8.304 ( 0.000 15.232 0.081) 15.232 8.905 ( 0.000 2.069 1.727) 2.695 9.940 ( -0.000 -3.984 -0.123) 3.986 10.605 ( 0.000 -14.865 -22.313) 26.812 11.899 ( -0.000 -26.811 13.752) 30.133 15.105 ( 0.000 -4.465 -4.592) 6.405 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.866 5.484 0.478) 7.347 2.518 ( 1.074 6.885 6.977) 9.861 3.422 ( -0.702 7.977 -6.596) 10.374 4.085 ( 12.954 18.909 -0.671) 22.931 4.675 ( 0.608 3.322 -1.804) 3.829 6.697 ( 3.419 31.753 1.101) 31.956 8.482 ( 4.020 14.149 -0.096) 14.709 8.898 ( -6.496 7.353 -0.215) 9.814 9.964 ( 6.110 -1.347 0.845) 6.313 10.392 ( 0.150 -16.115 -18.116) 24.247 11.661 ( -2.430 -24.868 11.181) 27.374 14.998 ( -5.702 -5.040 -3.800) 8.506 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 8.671 5.445 0.587) 10.255 2.621 ( 2.232 4.644 5.442) 7.494 3.437 ( -1.485 4.154 -8.638) 9.700 4.517 ( 13.349 13.474 -1.431) 19.021 4.762 ( 8.817 7.039 2.207) 11.496 7.036 ( 4.750 22.101 0.487) 22.611 8.676 ( 0.582 11.029 0.474) 11.055 8.873 ( -4.001 12.816 -1.497) 13.510 10.126 ( 11.850 2.202 0.441) 12.061 10.185 ( -0.661 -15.428 -12.979) 20.172 11.409 ( -3.556 -21.769 8.604) 23.676 14.792 ( -10.825 -5.681 -3.707) 12.775 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 9.132 5.534 2.161) 10.894 2.721 ( 4.242 2.979 2.291) 5.667 3.412 ( -1.456 1.551 -8.450) 8.714 4.642 ( -1.340 2.520 2.004) 3.488 5.236 ( 25.214 16.698 0.873) 30.254 7.282 ( 3.535 12.828 0.319) 13.310 8.683 ( -7.691 10.215 -0.207) 12.788 9.038 ( 4.537 12.310 0.309) 13.123 9.974 ( -2.830 -13.736 -10.442) 17.485 10.407 ( 15.456 5.659 0.449) 16.465 11.184 ( -2.802 -16.697 6.786) 18.240 14.510 ( -13.631 -6.388 -3.763) 15.516 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 3.364 1.165 3.176) 4.771 2.893 ( 8.542 6.667 -0.375) 10.843 3.377 ( 0.061 -0.801 -6.957) 7.003 4.615 ( -3.950 0.160 3.258) 5.122 5.836 ( 23.465 19.216 0.231) 30.330 7.388 ( -1.268 3.592 0.343) 3.825 8.693 ( -2.242 10.074 1.508) 10.430 9.189 ( 1.339 6.927 -0.120) 7.056 9.760 ( -3.492 -12.926 -7.578) 15.385 10.716 ( 9.023 10.477 -1.168) 13.877 11.061 ( 3.529 -10.546 6.079) 12.674 14.205 ( -12.408 -7.041 -3.284) 14.640 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 2.275 -0.534 0.461) 2.382 3.069 ( 1.877 8.964 1.450) 9.272 3.373 ( 5.126 -4.089 -5.537) 8.582 4.542 ( -4.949 -0.857 2.972) 5.836 6.375 ( 14.140 23.457 -0.119) 27.390 7.308 ( -5.066 -7.710 0.324) 9.231 8.801 ( 2.745 6.531 2.697) 7.581 9.220 ( -2.962 4.277 -0.423) 5.220 9.585 ( 0.843 -12.206 -5.457) 13.396 10.828 ( -4.797 9.388 1.527) 10.652 11.163 ( 9.592 -1.506 1.385) 9.807 13.967 ( -5.768 -6.693 -1.818) 9.021 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -0.560 -0.779 -0.655) 1.162 3.121 ( -4.525 6.071 1.275) 7.678 3.447 ( 8.800 -3.535 -2.841) 9.900 4.464 ( -3.760 -0.673 1.691) 4.177 6.668 ( -13.397 23.974 -0.324) 27.465 7.168 ( 8.494 -15.781 0.359) 17.925 8.829 ( -4.010 -1.571 0.371) 4.323 9.246 ( -0.376 6.457 2.364) 6.886 9.547 ( 9.131 -8.003 -3.901) 12.753 10.836 ( -4.389 8.049 2.762) 9.574 11.221 ( -2.815 -0.755 -1.866) 3.460 13.898 ( 4.467 -3.888 -0.124) 5.924 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -4.050 -0.000 0.000) 4.050 3.060 ( -6.172 -0.000 0.000) 6.172 3.555 ( 5.927 0.000 -0.000) 5.927 4.426 ( -0.388 -0.000 0.000) 0.388 6.379 ( -27.870 -0.000 0.000) 27.870 7.298 ( 9.277 0.000 -0.000) 9.277 8.709 ( -7.080 -0.000 0.000) 7.080 9.257 ( -3.067 -0.000 0.000) 3.067 9.734 ( 16.627 0.000 -0.000) 16.627 10.850 ( -0.433 -0.000 0.000) 0.433 11.056 ( -13.450 -0.000 0.000) 13.450 14.025 ( 11.734 0.000 -0.000) 11.734 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.000 4.159 -0.001) 4.159 2.588 ( -0.000 4.970 5.884) 7.702 3.470 ( 0.000 4.985 -9.045) 10.328 4.136 ( 0.000 15.741 -0.516) 15.750 4.699 ( 0.000 3.334 0.026) 3.334 6.952 ( 0.000 24.842 0.219) 24.843 8.566 ( 0.000 11.488 -1.935) 11.649 9.055 ( 0.000 12.386 -1.513) 12.478 9.902 ( -0.000 -0.319 1.676) 1.706 10.185 ( -0.000 -15.521 -12.519) 19.941 11.471 ( -0.000 -23.675 7.857) 24.945 14.992 ( -0.000 -4.632 -2.391) 5.213 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 5.701 3.538 -0.060) 6.710 2.650 ( 0.822 3.220 4.637) 5.705 3.466 ( -1.096 2.333 -9.791) 10.125 4.396 ( 13.456 13.186 -0.649) 18.851 4.740 ( 1.071 2.845 2.056) 3.670 7.174 ( 1.995 17.014 -0.669) 17.143 8.710 ( 5.446 9.442 -1.784) 11.045 9.114 ( -7.269 14.446 -3.749) 16.601 9.975 ( 7.121 1.189 1.997) 7.491 10.019 ( 0.051 -12.849 -6.524) 14.411 11.258 ( -1.068 -20.975 5.023) 21.594 14.886 ( -6.552 -4.371 -1.912) 8.105 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 10.204 3.291 0.247) 10.724 2.707 ( 1.651 1.726 3.075) 3.894 3.429 ( -1.632 1.000 -8.183) 8.404 4.690 ( 1.795 5.491 1.190) 5.899 4.929 ( 22.300 7.369 1.174) 23.516 7.348 ( 2.739 10.476 -0.649) 10.847 8.878 ( 1.053 9.449 -0.547) 9.523 9.116 ( -3.880 11.655 -3.820) 12.864 9.882 ( -2.237 -8.721 -3.968) 9.839 10.166 ( 13.915 -0.067 1.867) 14.040 11.076 ( -0.500 -14.970 3.239) 15.324 14.677 ( -12.315 -4.140 -1.977) 13.142 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 9.176 2.334 2.817) 9.878 2.765 ( 5.594 1.382 -0.842) 5.823 3.384 ( -2.144 0.293 -5.371) 5.791 4.696 ( -3.488 1.413 2.210) 4.365 5.488 ( 30.989 8.573 0.079) 32.153 7.455 ( 0.074 5.286 0.008) 5.286 8.897 ( -7.772 10.734 0.205) 13.254 9.197 ( 3.317 3.209 -2.051) 5.050 9.730 ( -6.256 -6.074 -2.768) 9.149 10.466 ( 21.353 -0.365 0.164) 21.357 10.980 ( 0.299 -6.425 2.825) 7.025 14.391 ( -15.559 -3.781 -1.933) 16.128 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 2.297 -0.091 0.633) 2.384 2.997 ( 12.795 3.073 0.496) 13.169 3.326 ( -2.981 -0.887 -2.917) 4.264 4.633 ( -5.136 0.090 1.441) 5.335 6.102 ( 31.325 7.182 -0.044) 32.138 7.420 ( -8.205 0.344 0.197) 8.214 8.887 ( -3.679 6.872 1.564) 7.950 9.251 ( 2.704 0.258 -1.587) 3.146 9.539 ( -8.223 -5.507 -1.929) 10.083 10.846 ( 19.906 2.921 -2.123) 20.231 10.961 ( 1.142 -2.320 3.712) 4.523 14.092 ( -14.206 -2.753 -1.204) 14.520 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 1.585 0.000 -0.000) 1.585 3.236 ( 12.274 0.000 -0.000) 12.274 3.243 ( -4.849 -0.000 0.000) 4.849 4.543 ( -5.369 -0.000 0.000) 5.369 6.653 ( 27.575 0.000 -0.000) 27.575 7.185 ( -18.186 -0.000 0.000) 18.186 8.883 ( -2.032 -0.000 0.000) 2.032 9.337 ( 6.963 0.000 -0.000) 6.963 9.361 ( -6.817 -0.000 0.000) 6.817 10.932 ( -2.566 -0.000 0.000) 2.566 11.153 ( 11.166 0.000 -0.000) 11.166 13.892 ( -6.339 -0.000 0.000) 6.339 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 2.424 -0.275) 2.440 2.681 ( -0.000 1.959 3.448) 3.965 3.459 ( 0.000 0.624 -9.346) 9.367 4.382 ( 0.000 9.639 -0.379) 9.647 4.768 ( 0.000 2.579 2.289) 3.448 7.290 ( 0.000 10.902 -1.859) 11.059 8.720 ( 0.000 5.904 -2.768) 6.521 9.313 ( 0.000 14.450 -7.002) 16.057 9.904 ( -0.000 -8.549 1.485) 8.677 9.939 ( -0.000 2.317 2.439) 3.364 11.077 ( -0.000 -19.151 2.156) 19.272 14.902 ( -0.000 -3.366 -0.966) 3.502 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 6.273 1.748 -0.155) 6.514 2.710 ( 0.653 0.971 2.187) 2.480 3.430 ( -0.610 0.046 -6.785) 6.813 4.593 ( 14.612 7.167 -0.429) 16.281 4.794 ( 0.259 1.130 2.227) 2.511 7.383 ( 2.052 6.131 -1.741) 6.695 8.832 ( 7.835 4.362 -1.764) 9.139 9.339 ( -7.844 9.839 -7.038) 14.417 9.859 ( -0.742 -1.939 4.485) 4.942 10.005 ( 4.714 -0.463 1.583) 4.994 10.927 ( 1.807 -13.514 0.626) 13.649 14.810 ( -7.164 -2.492 -0.731) 7.621 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 11.104 1.107 0.061) 11.159 2.736 ( 1.253 0.297 0.906) 1.575 3.402 ( -1.142 0.094 -3.200) 3.399 4.767 ( -2.319 1.666 0.991) 3.023 5.033 ( 27.307 2.655 0.116) 27.436 7.468 ( 2.768 2.841 -0.603) 4.012 9.019 ( 7.700 4.478 -0.019) 8.908 9.228 ( -9.491 2.342 -3.519) 10.390 9.822 ( -6.441 1.656 1.671) 6.857 10.124 ( 14.266 -3.889 0.377) 14.792 10.894 ( 4.005 -4.586 0.544) 6.112 14.612 ( -13.243 -1.508 -0.620) 13.343 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 1.820 0.000 -0.000) 1.820 2.779 ( 13.581 0.000 -0.000) 13.581 3.369 ( -2.351 -0.000 0.000) 2.351 4.717 ( -4.214 -0.000 0.000) 4.214 5.572 ( 33.134 0.000 -0.000) 33.134 7.504 ( -0.884 -0.000 0.000) 0.884 9.045 ( -9.678 -0.000 0.000) 9.678 9.171 ( 5.379 0.000 -0.000) 5.379 9.682 ( -9.987 -0.000 0.000) 9.987 10.444 ( 23.987 0.000 -0.000) 23.987 10.939 ( 2.632 0.000 -0.000) 2.632 14.347 ( -16.370 -0.000 0.000) 16.370 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.000 0.798 -0.141) 0.810 2.716 ( -0.000 0.403 1.078) 1.151 3.417 ( 0.000 -0.232 -3.805) 3.812 4.507 ( 0.000 3.234 -0.138) 3.236 4.815 ( -0.000 0.939 1.157) 1.489 7.400 ( 0.000 2.575 -1.382) 2.923 8.778 ( 0.000 1.635 -1.262) 2.065 9.460 ( 0.000 4.355 -5.636) 7.123 9.875 ( -0.000 0.939 5.402) 5.483 9.993 ( 0.000 1.388 1.113) 1.779 10.790 ( -0.000 -8.903 -0.501) 8.917 14.853 ( -0.000 -1.218 -0.229) 1.240 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.476 0.000 -0.000) 6.476 2.724 ( 0.575 0.000 -0.000) 0.575 3.408 ( -0.276 -0.000 0.000) 0.276 4.664 ( 16.233 0.000 -0.000) 16.233 4.810 ( -1.308 -0.000 0.000) 1.308 7.432 ( 2.369 0.000 -0.000) 2.369 8.868 ( 9.092 0.000 -0.000) 9.092 9.402 ( -7.738 -0.000 0.000) 7.738 9.933 ( 5.409 0.000 -0.000) 5.409 9.955 ( -5.200 -0.000 0.000) 5.200 10.787 ( 4.552 0.000 -0.000) 4.552 14.783 ( -7.391 -0.000 0.000) 7.391 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( -0.000 -0.000 26.244) 26.244 0.240 ( -0.000 -0.000 26.244) 26.244 0.504 ( -0.000 -0.000 55.364) 55.364 2.318 ( 0.000 0.000 -1.732) 1.732 2.318 ( 0.000 0.000 -1.732) 1.732 5.708 ( 0.000 0.000 -5.841) 5.841 7.362 ( -0.000 -0.000 0.902) 0.902 7.362 ( -0.000 -0.000 0.902) 0.902 10.423 ( 0.000 0.000 -0.604) 0.604 10.423 ( 0.000 0.000 -0.604) 0.604 13.993 ( -0.000 -0.000 0.600) 0.600 14.967 ( 0.000 0.000 -0.205) 0.205 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 24.573 14.187 8.669) 29.669 0.715 ( 15.241 8.799 28.054) 33.117 1.281 ( 41.723 24.089 19.530) 51.985 2.365 ( 4.949 2.857 -2.421) 6.206 2.557 ( 20.351 11.749 -2.421) 23.623 4.743 ( -8.967 -5.177 12.304) 16.081 7.403 ( 3.242 1.872 1.184) 3.926 9.861 ( 13.333 7.698 -42.188) 44.909 10.394 ( -2.397 -1.384 -0.629) 2.838 10.487 ( 24.685 14.252 -36.642) 46.422 13.869 ( -13.773 -7.952 7.641) 17.644 15.147 ( 7.882 4.551 -17.764) 19.960 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 17.012 9.822 17.971) 26.624 1.235 ( 21.909 12.649 4.424) 25.682 2.120 ( 27.479 15.865 10.948) 33.566 2.538 ( 11.313 6.532 -2.726) 13.345 3.270 ( 41.962 24.227 -0.067) 48.453 4.670 ( -1.199 -0.692 -0.644) 1.527 7.516 ( 6.454 3.726 1.158) 7.542 9.589 ( -18.134 -10.469 -1.856) 21.021 10.316 ( -4.228 -2.441 -0.556) 4.913 10.930 ( 19.102 11.028 -30.818) 37.898 13.483 ( -21.848 -12.614 13.205) 28.475 15.211 ( 2.337 1.349 -16.323) 16.545 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 17.516 10.113 10.600) 22.836 1.666 ( 15.080 8.707 2.510) 17.593 2.658 ( 19.213 11.093 6.954) 23.250 2.866 ( 18.118 10.461 -2.278) 21.045 4.313 ( 46.936 27.098 -0.405) 54.198 4.661 ( 1.566 0.904 -3.758) 4.170 7.700 ( 9.573 5.527 0.711) 11.077 9.169 ( -17.651 -10.191 -1.183) 20.416 10.208 ( -5.038 -2.909 -0.295) 5.825 11.161 ( 8.480 4.896 -21.389) 23.524 13.001 ( -24.495 -14.142 18.153) 33.608 15.155 ( -2.812 -1.624 -15.777) 16.107 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 9.643 5.567 1.126) 11.191 2.002 ( 16.856 9.732 6.677) 20.577 3.055 ( 14.616 8.439 3.573) 17.251 3.310 ( 20.778 11.996 -1.468) 24.038 4.654 ( 1.910 1.103 -7.670) 7.980 5.375 ( 43.090 24.878 2.037) 49.797 7.948 ( 12.120 6.998 -0.133) 13.996 8.818 ( -12.058 -6.962 -3.183) 14.283 10.095 ( -4.784 -2.762 0.228) 5.528 11.187 ( -0.668 -0.386 -18.791) 18.807 12.501 ( -24.921 -14.388 21.960) 36.198 15.005 ( -5.933 -3.425 -14.400) 15.947 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 6.645 3.836 0.328) 7.680 2.379 ( 14.648 8.457 5.433) 17.765 3.346 ( 11.051 6.380 -1.226) 12.820 3.760 ( 18.716 10.806 -0.891) 21.630 4.670 ( 0.956 0.552 -4.951) 5.073 6.254 ( 33.463 19.320 0.652) 38.645 8.237 ( 13.289 7.673 -1.233) 15.395 8.641 ( -1.805 -1.042 -4.800) 5.233 9.999 ( -3.783 -2.184 1.022) 4.486 11.032 ( -7.722 -4.458 -17.048) 19.239 12.007 ( -24.675 -14.246 21.179) 35.502 14.823 ( -6.236 -3.601 -11.064) 13.201 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.618 2.666 -0.057) 5.332 2.686 ( 10.841 6.259 5.125) 13.526 3.562 ( 9.334 5.389 -6.406) 12.538 4.132 ( 14.174 8.183 -0.558) 16.376 4.652 ( -2.000 -1.155 -0.578) 2.380 6.875 ( 21.717 12.538 -0.770) 25.089 8.526 ( 12.348 7.129 -2.294) 14.442 8.722 ( 9.883 5.706 -4.967) 12.446 9.931 ( -2.595 -1.498 1.919) 3.559 10.761 ( -11.983 -6.918 -12.062) 18.356 11.519 ( -22.816 -13.173 14.539) 30.091 14.672 ( -4.619 -2.667 -6.423) 8.349 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 2.800 1.617 -0.212) 3.241 2.892 ( 6.116 3.531 3.574) 7.915 3.738 ( 8.508 4.912 -9.597) 13.734 4.390 ( 8.686 5.015 -0.353) 10.036 4.577 ( -4.789 -2.765 3.748) 6.680 7.261 ( 13.431 7.755 -1.678) 15.600 8.765 ( 9.125 5.268 -2.791) 10.900 9.007 ( 15.137 8.739 -3.966) 17.923 9.890 ( -1.727 -0.997 2.448) 3.157 10.426 ( -15.359 -8.867 -4.157) 18.215 11.104 ( -15.424 -8.905 5.206) 18.556 14.579 ( -2.470 -1.426 -2.093) 3.538 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 0.977 0.564 -0.239) 1.153 2.980 ( 1.140 0.658 0.104) 1.320 3.882 ( 6.297 3.636 -9.103) 11.651 4.482 ( -4.278 -2.470 6.331) 8.030 4.521 ( 2.956 1.707 -0.197) 3.419 7.477 ( 5.636 3.254 -1.278) 6.633 8.908 ( 4.027 2.325 -2.126) 5.113 9.325 ( 12.148 7.014 -1.742) 14.135 9.864 ( -1.193 -0.689 1.973) 2.407 10.076 ( -12.931 -7.465 -0.227) 14.933 10.883 ( -4.748 -2.741 -0.124) 5.484 14.546 ( -0.338 -0.195 1.196) 1.258 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -0.876 -0.506 -0.186) 1.028 2.947 ( -3.460 -1.998 -3.426) 5.263 3.937 ( -0.350 -0.202 -3.904) 3.925 4.458 ( 1.271 0.734 4.477) 4.711 4.523 ( -2.797 -1.615 -0.049) 3.230 7.490 ( -4.383 -2.531 0.173) 5.064 8.926 ( -2.273 -1.312 -0.353) 2.648 9.388 ( -8.947 -5.165 5.209) 11.569 9.849 ( -0.348 -0.201 0.453) 0.606 10.029 ( 11.841 6.836 -5.616) 14.781 10.874 ( 3.572 2.063 -1.044) 4.255 14.571 ( 1.951 1.126 3.826) 4.440 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -2.737 -1.580 -0.075) 3.162 2.812 ( -7.164 -4.136 -5.048) 9.690 3.842 ( -7.185 -4.148 1.172) 8.379 4.395 ( -8.502 -4.909 0.123) 9.818 4.552 ( 5.328 3.076 1.448) 6.321 7.291 ( -13.230 -7.638 1.457) 15.345 8.804 ( -8.441 -4.873 1.326) 9.836 9.109 ( -14.718 -8.497 6.967) 18.367 9.857 ( 1.159 0.669 -1.022) 1.684 10.422 ( 21.819 12.597 -5.598) 25.809 11.015 ( 8.941 5.162 -3.245) 10.823 14.660 ( 4.548 2.626 6.301) 8.203 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -4.642 -2.680 0.091) 5.361 2.597 ( -10.548 -6.090 -4.458) 12.970 3.640 ( -10.921 -6.305 2.112) 12.786 4.141 ( -13.925 -8.040 0.355) 16.083 4.669 ( 4.072 2.351 1.085) 4.826 6.896 ( -22.638 -13.070 1.428) 26.179 8.566 ( -12.655 -7.306 1.926) 14.739 8.835 ( -10.083 -5.821 7.058) 13.615 9.898 ( 2.860 1.651 -1.568) 3.655 10.927 ( 22.332 12.893 2.419) 25.900 11.234 ( 12.334 7.121 -12.482) 18.937 14.814 ( 6.982 4.031 8.364) 11.617 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -6.824 -3.940 0.348) 7.887 2.308 ( -14.135 -8.161 -2.244) 16.476 3.364 ( -13.881 -8.014 0.839) 16.051 3.775 ( -18.364 -10.603 0.665) 21.216 4.731 ( 1.069 0.617 1.470) 1.919 6.254 ( -34.504 -19.921 0.641) 39.847 8.264 ( -14.049 -8.111 1.650) 16.306 8.741 ( 0.435 0.251 5.829) 5.851 9.975 ( 4.348 2.511 -1.419) 5.218 11.319 ( 7.482 4.320 12.140) 14.900 11.587 ( 25.869 14.935 -22.108) 37.162 15.015 ( 8.074 4.661 9.024) 12.975 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -10.040 -5.796 0.855) 11.624 1.946 ( -17.650 -10.190 0.597) 20.390 3.014 ( -17.181 -9.920 -0.820) 19.856 3.333 ( -20.340 -11.743 0.944) 23.505 4.732 ( -1.139 -0.657 0.693) 1.486 5.359 ( -43.957 -25.379 0.361) 50.759 7.960 ( -12.919 -7.459 1.053) 14.955 8.880 ( 10.064 5.811 3.383) 12.103 10.082 ( 5.323 3.073 -1.064) 6.238 11.422 ( 0.731 0.422 2.502) 2.641 12.165 ( 28.254 16.313 -10.185) 34.178 15.213 ( 6.742 3.892 7.530) 10.830 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -20.516 -11.845 3.602) 23.962 1.662 ( -15.642 -9.031 2.034) 18.176 2.578 ( -21.312 -12.304 -1.647) 24.664 2.895 ( -17.806 -10.280 0.829) 20.577 4.295 ( -47.289 -27.303 -1.835) 54.636 4.710 ( -2.338 -1.350 1.313) 3.002 7.699 ( -10.171 -5.872 0.552) 11.757 9.188 ( 16.072 9.279 0.792) 18.576 10.203 ( 5.438 3.140 -0.766) 6.326 11.379 ( -4.811 -2.778 -0.727) 5.603 12.776 ( 27.250 15.733 -3.572) 31.668 15.345 ( 3.033 1.751 3.886) 5.231 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -22.085 -12.751 8.594) 26.910 1.236 ( -22.737 -13.127 4.423) 26.624 2.008 ( -30.243 -17.461 -0.839) 34.932 2.564 ( -11.338 -6.546 0.073) 13.092 3.261 ( -40.877 -23.600 -1.092) 47.213 4.672 ( -1.312 -0.757 0.168) 1.524 7.508 ( -6.752 -3.898 0.373) 7.805 9.589 ( 19.032 10.988 -1.926) 22.060 10.315 ( 4.485 2.590 -0.605) 5.214 11.196 ( -10.746 -6.204 -6.250) 13.894 13.356 ( 23.711 13.689 1.614) 27.426 15.363 ( -1.680 -0.970 -2.072) 2.838 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 0.000 27.302 15.054) 31.178 0.840 ( -0.000 21.268 25.881) 33.499 1.276 ( 0.000 42.333 23.469) 48.403 2.363 ( 0.000 6.086 -2.622) 6.627 2.539 ( 0.000 23.231 -3.443) 23.485 4.778 ( -0.000 -14.247 12.150) 18.725 7.405 ( 0.000 3.765 1.359) 4.003 9.646 ( 0.000 34.979 -54.667) 64.900 10.387 ( -0.000 -3.026 -1.096) 3.218 10.465 ( 0.000 21.792 -24.186) 32.555 13.886 ( -0.000 -15.647 7.266) 17.251 15.102 ( 0.000 9.743 -16.375) 19.055 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 6.239 18.792 20.764) 28.691 1.202 ( 8.641 23.688 12.446) 28.119 1.941 ( 20.507 27.819 13.946) 37.268 2.478 ( 5.401 10.678 -2.972) 12.330 3.009 ( 22.189 36.206 -1.590) 42.494 4.685 ( -1.979 -3.311 0.950) 3.973 7.484 ( 3.196 5.652 1.562) 6.679 9.649 ( -4.372 -13.376 -7.908) 16.142 10.325 ( -1.802 -3.995 -1.650) 4.683 10.729 ( 10.838 24.749 -34.609) 43.906 13.631 ( -10.660 -21.528 12.035) 26.869 15.159 ( 1.685 6.210 -17.109) 18.279 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 10.558 14.714 15.412) 23.781 1.603 ( 9.772 18.101 6.287) 21.510 2.501 ( 17.097 16.217 8.678) 25.112 2.749 ( 11.595 17.057 -2.554) 20.783 3.910 ( 36.730 39.076 -0.190) 53.629 4.647 ( -0.192 0.592 -4.199) 4.245 7.633 ( 6.253 7.557 1.483) 9.920 9.316 ( -13.743 -15.354 -0.842) 20.624 10.242 ( -2.847 -4.006 -0.974) 5.010 10.996 ( 9.765 10.734 -26.168) 29.922 13.223 ( -16.218 -22.512 16.642) 32.354 15.146 ( -2.085 1.965 -16.719) 16.963 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 11.060 11.378 6.694) 17.221 1.920 ( 8.802 13.485 6.363) 17.315 2.916 ( 13.945 10.934 5.243) 18.479 3.172 ( 15.455 21.740 -1.495) 26.716 4.600 ( 4.015 2.978 -10.037) 11.213 4.980 ( 36.270 33.244 3.570) 49.330 7.850 ( 8.997 9.392 1.021) 13.046 8.940 ( -13.344 -11.613 -1.961) 17.798 10.150 ( -3.956 -2.251 -0.431) 4.572 11.095 ( 3.760 0.534 -21.173) 21.511 12.764 ( -18.707 -21.527 20.429) 35.082 15.031 ( -5.618 -1.391 -15.514) 16.559 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 5.382 8.639 1.228) 10.252 2.255 ( 12.679 11.083 7.072) 18.264 3.221 ( 10.818 6.880 0.767) 12.843 3.649 ( 14.459 22.835 -0.860) 27.041 4.633 ( 2.134 1.515 -7.132) 7.597 5.909 ( 33.953 27.665 1.588) 43.826 8.120 ( 10.722 10.658 0.204) 15.119 8.665 ( -6.575 -6.183 -3.709) 9.758 10.067 ( -4.504 0.192 0.168) 4.511 11.013 ( -2.625 -5.876 -18.729) 19.804 12.294 ( -20.436 -19.754 20.853) 35.252 14.856 ( -6.454 -3.536 -12.556) 14.554 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 3.011 7.591 0.391) 8.176 2.577 ( 11.549 7.864 5.802) 15.129 3.434 ( 8.984 4.418 -4.821) 11.111 4.077 ( 10.171 21.460 -0.761) 23.760 4.655 ( 0.553 0.438 -2.437) 2.537 6.639 ( 24.131 19.241 0.320) 30.864 8.406 ( 10.622 9.881 -0.852) 14.532 8.612 ( 5.317 1.352 -4.430) 7.052 10.003 ( -4.639 2.116 0.917) 5.181 10.802 ( -6.995 -8.849 -15.070) 18.824 11.810 ( -21.941 -16.874 16.291) 32.117 14.687 ( -4.565 -4.693 -7.923) 10.278 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 1.056 6.830 -0.007) 6.911 2.821 ( 7.976 4.259 4.378) 10.046 3.600 ( 8.882 3.523 -9.342) 13.363 4.395 ( 4.660 17.461 -0.736) 18.087 4.637 ( -2.848 0.222 2.588) 3.855 7.113 ( 14.760 12.067 -0.934) 19.088 8.659 ( 9.972 7.076 -1.742) 12.350 8.824 ( 13.933 7.807 -3.906) 16.442 9.951 ( -4.664 1.949 1.737) 5.345 10.529 ( -9.935 -9.920 -8.872) 16.608 11.344 ( -20.114 -10.835 8.544) 24.391 14.570 ( -1.565 -5.126 -3.115) 6.199 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -0.885 5.989 -0.208) 6.057 2.951 ( 3.333 0.811 1.242) 3.648 3.751 ( 8.697 2.840 -10.749) 14.115 4.521 ( -1.795 -0.416 4.280) 4.660 4.637 ( -4.299 14.407 1.521) 15.112 7.397 ( 8.553 6.760 -1.435) 10.996 8.856 ( 5.996 5.493 -1.774) 8.323 9.161 ( 16.573 8.829 -3.287) 19.064 9.874 ( -5.815 -3.136 2.882) 7.208 10.230 ( -11.361 -7.969 -2.731) 14.143 11.016 ( -12.288 -1.558 1.399) 12.465 14.515 ( 1.256 -4.835 0.662) 5.040 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -2.799 4.906 -0.277) 5.655 2.959 ( -1.282 -1.846 -2.503) 3.364 3.868 ( 5.751 0.558 -8.626) 10.383 4.476 ( -1.674 -2.149 7.225) 7.721 4.684 ( -8.415 14.314 -0.137) 16.605 7.513 ( 0.568 0.972 -0.788) 1.374 8.945 ( 0.136 2.315 -0.849) 2.470 9.507 ( 8.320 12.656 -0.858) 15.170 9.665 ( -3.941 -17.007 2.837) 17.686 10.068 ( -3.091 3.256 -2.052) 4.937 10.902 ( -3.557 4.506 -1.353) 5.898 14.522 ( 3.743 -3.718 3.402) 6.278 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -4.597 3.566 -0.240) 5.823 2.865 ( -5.210 -3.511 -4.658) 7.821 3.875 ( -1.402 -3.664 -3.364) 5.168 4.498 ( 2.724 0.434 4.479) 5.260 4.622 ( -13.171 11.048 -0.202) 17.192 7.426 ( -8.773 -4.100 0.573) 9.701 8.895 ( -5.993 -2.128 0.739) 6.402 9.296 ( -15.248 -10.207 6.138) 19.348 9.818 ( 7.430 4.034 -0.946) 8.507 10.196 ( 13.532 9.946 -5.870) 17.790 10.953 ( 3.559 5.859 -2.139) 7.181 14.592 ( 6.195 -1.823 5.567) 8.526 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( -6.264 2.082 -0.097) 6.602 2.693 ( -8.578 -4.649 -4.602) 10.788 3.741 ( -7.499 -6.213 0.350) 9.745 4.411 ( -18.066 5.473 0.256) 18.879 4.617 ( 4.275 2.592 1.453) 5.206 7.145 ( -17.984 -7.895 1.335) 19.686 8.714 ( -10.977 -5.361 1.799) 12.348 8.973 ( -12.571 -9.748 6.331) 17.121 9.911 ( -0.041 6.435 -0.718) 6.475 10.626 ( 24.508 11.388 -6.417) 27.776 11.101 ( 7.979 4.884 -3.881) 10.128 14.730 ( 8.503 0.421 7.149) 11.117 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -7.986 0.585 0.181) 8.009 2.456 ( -12.063 -5.698 -2.724) 13.616 3.514 ( -11.753 -7.013 1.037) 13.725 4.092 ( -23.458 1.944 0.295) 23.540 4.705 ( 3.148 0.821 0.727) 3.334 6.648 ( -29.850 -12.575 1.033) 32.407 8.445 ( -14.451 -5.969 1.706) 15.728 8.764 ( -4.028 -5.490 5.931) 9.030 9.971 ( 0.388 6.387 -1.129) 6.498 11.170 ( 27.124 10.723 0.549) 29.172 11.269 ( 9.332 3.605 -10.926) 14.814 14.923 ( 9.837 2.129 7.450) 12.522 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -10.640 -1.458 0.648) 10.759 2.158 ( -15.577 -5.975 0.291) 16.686 3.213 ( -15.806 -7.148 0.373) 17.351 3.670 ( -26.269 -1.418 0.523) 26.313 4.738 ( 0.290 -0.229 -0.075) 0.376 5.893 ( -42.091 -16.445 0.637) 45.194 8.137 ( -15.081 -5.727 1.307) 16.184 8.780 ( 6.573 0.371 4.020) 7.713 10.047 ( 2.459 4.975 -1.128) 5.663 11.379 ( 4.719 0.494 -4.443) 6.500 11.773 ( 30.538 11.205 -4.128) 32.790 15.132 ( 9.142 2.427 5.752) 11.070 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -19.483 -7.395 3.451) 21.123 1.883 ( -14.615 -1.815 1.830) 14.841 2.840 ( -20.233 -6.717 -0.016) 21.319 3.202 ( -25.553 -3.007 0.493) 25.734 4.710 ( -4.365 -0.831 -3.122) 5.430 4.946 ( -47.778 -16.160 2.238) 50.487 7.848 ( -13.102 -4.380 0.906) 13.845 8.993 ( 14.438 3.733 1.622) 15.001 10.143 ( 4.381 3.141 -0.926) 5.470 11.398 ( -0.485 -0.992 -6.508) 6.600 12.395 ( 31.035 9.682 0.784) 32.519 15.294 ( 6.029 1.201 1.907) 6.436 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -22.680 -6.871 7.916) 24.985 1.569 ( -21.224 -2.784 3.307) 21.660 2.394 ( -26.242 -4.894 1.302) 26.726 2.783 ( -19.878 -2.365 -0.269) 20.020 3.898 ( -52.558 -10.689 -0.878) 53.641 4.692 ( -1.846 -0.647 -0.652) 2.062 7.621 ( -9.957 -2.287 0.708) 10.241 9.327 ( 19.440 4.076 -0.318) 19.865 10.245 ( 5.214 1.418 -0.738) 5.453 11.294 ( -7.517 -1.898 -10.363) 12.942 13.003 ( 29.680 6.648 5.065) 30.834 15.357 ( 1.125 -0.619 -3.952) 4.155 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 22.603 10.383) 24.874 1.379 ( -0.000 18.819 23.086) 29.784 2.105 ( 0.000 29.886 11.847) 32.149 2.538 ( 0.000 13.937 -2.918) 14.240 3.235 ( 0.000 48.107 -1.523) 48.131 4.669 ( -0.000 -2.413 -1.431) 2.805 7.528 ( 0.000 7.880 1.713) 8.064 9.521 ( -0.000 -14.096 -5.368) 15.083 10.296 ( -0.000 -5.347 -1.456) 5.541 10.787 ( 0.000 22.281 -31.821) 38.846 13.513 ( -0.000 -27.223 12.824) 30.093 15.165 ( 0.000 6.995 -16.507) 17.928 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 2.067 17.254 14.793) 22.821 1.687 ( 5.357 17.981 11.313) 21.909 2.483 ( 9.089 21.495 8.467) 24.826 2.759 ( 7.849 19.628 -2.335) 21.268 3.881 ( 17.405 49.543 -1.009) 52.521 4.649 ( -0.198 1.664 -4.368) 4.679 7.646 ( 2.969 9.898 1.887) 10.504 9.317 ( -5.707 -16.658 -0.401) 17.613 10.223 ( -1.059 -5.254 -1.600) 5.593 10.913 ( 4.183 12.307 -27.588) 30.497 13.213 ( -7.058 -28.694 15.512) 33.373 15.162 ( -1.784 4.085 -15.780) 16.397 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 5.808 13.815 8.706) 17.331 1.967 ( 5.349 14.516 9.120) 17.958 2.849 ( 10.105 14.811 5.454) 18.741 3.161 ( 13.497 25.200 -1.211) 28.612 4.524 ( 7.636 10.843 -10.294) 16.788 4.860 ( 19.667 36.211 3.154) 41.327 7.834 ( 5.856 11.851 2.047) 13.376 9.017 ( -10.764 -13.978 -0.610) 17.653 10.162 ( -0.689 -3.356 -1.107) 3.600 10.971 ( 3.397 1.381 -23.429) 23.714 12.832 ( -10.976 -27.553 18.442) 34.925 15.077 ( -5.485 0.516 -14.725) 15.722 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 5.640 11.126 2.947) 12.818 2.227 ( 7.175 12.269 8.965) 16.804 3.135 ( 8.466 9.077 1.416) 12.493 3.665 ( 14.294 28.020 -0.538) 31.460 4.592 ( 2.224 2.796 -8.413) 9.140 5.691 ( 28.015 36.094 2.125) 45.740 8.084 ( 8.021 13.429 1.973) 15.766 8.717 ( -9.432 -9.075 -2.399) 13.308 10.127 ( -1.461 0.434 -0.706) 1.680 10.907 ( 0.225 -6.799 -20.377) 21.482 12.423 ( -13.536 -25.250 19.412) 34.606 14.908 ( -7.786 -2.595 -12.725) 15.143 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 2.983 10.408 1.259) 10.900 2.500 ( 9.312 9.112 7.193) 14.882 3.327 ( 7.009 4.779 -3.716) 9.261 4.155 ( 10.489 27.830 -0.971) 29.757 4.638 ( 2.019 2.912 -3.350) 4.876 6.451 ( 23.855 26.242 1.129) 35.482 8.359 ( 7.660 11.808 1.406) 14.145 8.555 ( -0.411 -1.252 -3.431) 3.675 10.111 ( -3.279 4.376 -0.696) 5.512 10.739 ( -2.749 -10.731 -16.717) 20.054 11.997 ( -15.975 -21.702 16.647) 31.675 14.706 ( -6.926 -5.230 -9.304) 12.723 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.675 10.231 0.684) 10.276 2.743 ( 8.151 5.300 5.236) 11.043 3.463 ( 7.377 2.668 -8.224) 11.365 4.502 ( 3.244 14.939 -1.563) 15.367 4.721 ( 0.826 13.398 2.134) 13.592 6.996 ( 15.426 16.676 0.230) 22.718 8.533 ( 9.077 2.426 -1.235) 9.476 8.715 ( 8.950 11.965 -1.461) 15.014 10.083 ( -5.657 5.368 -1.232) 7.896 10.524 ( -5.066 -10.505 -10.749) 15.861 11.571 ( -17.014 -15.181 10.634) 25.160 14.532 ( -3.377 -7.344 -5.000) 9.505 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -1.619 9.933 0.232) 10.066 2.897 ( 4.643 1.336 2.315) 5.357 3.593 ( 8.657 1.978 -10.229) 13.546 4.555 ( -1.695 -1.191 3.776) 4.307 4.922 ( -4.083 26.334 0.687) 26.658 7.323 ( 8.988 9.388 -0.510) 13.007 8.760 ( 12.529 4.088 -0.277) 13.182 8.979 ( 10.457 8.741 -2.407) 13.840 10.009 ( -7.380 2.841 -1.443) 8.039 10.295 ( -8.550 -8.336 -3.406) 12.417 11.227 ( -13.592 -4.534 3.552) 14.762 14.425 ( 1.017 -8.433 -0.968) 8.549 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -3.960 9.072 -0.118) 9.900 2.942 ( 0.707 -1.454 -1.227) 2.029 3.724 ( 8.236 0.755 -9.665) 12.720 4.507 ( -2.450 -3.243 6.961) 8.060 5.053 ( -10.836 25.610 -0.200) 27.808 7.493 ( 3.781 3.279 -0.710) 5.055 8.959 ( 3.477 5.474 0.642) 6.516 9.233 ( 16.461 -2.537 -2.793) 16.888 9.868 ( -13.108 3.892 0.947) 13.706 10.104 ( -3.823 -3.070 -0.476) 4.926 11.050 ( -8.113 4.041 -1.240) 9.148 14.397 ( 4.883 -7.984 2.143) 9.601 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -6.029 7.368 -0.311) 9.525 2.893 ( -3.079 -2.453 -3.533) 5.290 3.803 ( 4.144 -2.296 -6.922) 8.388 4.479 ( 0.406 -1.927 6.647) 6.932 5.050 ( -17.035 22.173 -0.365) 27.964 7.503 ( -3.445 -1.729 -0.196) 3.860 8.971 ( -4.482 -1.153 1.129) 4.764 9.334 ( 1.111 -15.385 1.867) 15.538 9.813 ( 0.280 16.941 -1.545) 17.014 10.112 ( 3.850 3.407 -0.444) 5.160 10.998 ( -3.020 5.426 -3.237) 7.003 14.447 ( 7.982 -6.024 4.296) 10.884 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -7.549 5.138 -0.289) 9.136 2.773 ( -6.744 -2.551 -3.912) 8.203 3.766 ( -2.297 -5.258 -2.771) 6.372 4.526 ( 3.844 -0.035 3.495) 5.196 4.907 ( -22.145 16.849 -0.173) 27.827 7.344 ( -11.805 -4.453 0.562) 12.629 8.820 ( -7.649 -7.690 2.419) 11.113 9.099 ( -11.502 -9.941 3.344) 15.566 10.021 ( -0.208 14.939 0.126) 14.941 10.328 ( 17.970 7.135 -4.897) 19.946 11.032 ( 3.267 3.061 -3.503) 5.684 14.574 ( 10.462 -3.256 5.431) 12.229 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -8.721 3.089 0.007) 9.252 2.593 ( -10.234 -2.848 -2.641) 10.946 3.619 ( -7.641 -5.814 -0.375) 9.609 4.546 ( -14.516 5.796 0.245) 15.632 4.688 ( -7.915 4.969 0.897) 9.389 7.006 ( -22.551 -6.734 0.765) 23.547 8.612 ( -9.410 -6.422 2.511) 11.666 8.823 ( -10.436 -7.749 3.383) 13.432 10.092 ( -4.881 11.114 0.157) 12.140 10.778 ( 26.526 8.419 -8.406) 29.072 11.141 ( 7.757 0.830 -0.710) 7.834 14.763 ( 12.010 -0.858 5.162) 13.101 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -10.251 1.517 0.467) 10.373 2.356 ( -13.474 -3.279 -0.223) 13.869 3.397 ( -12.288 -4.826 0.155) 13.203 4.172 ( -29.877 4.646 0.123) 30.236 4.713 ( 2.233 -0.019 -0.304) 2.253 6.438 ( -35.595 -8.635 0.642) 36.633 8.359 ( -15.391 -3.671 1.449) 15.889 8.694 ( 1.954 -4.258 2.843) 5.480 10.106 ( -3.176 6.775 -0.521) 7.501 11.218 ( 14.486 3.214 -22.108) 26.625 11.378 ( 23.307 4.317 15.117) 28.114 14.979 ( 11.875 0.107 3.102) 12.274 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -16.933 -2.116 1.760) 17.155 2.107 ( -12.504 -0.628 1.881) 12.660 3.112 ( -16.812 -2.937 0.426) 17.072 3.678 ( -30.721 0.822 0.160) 30.732 4.727 ( -0.175 -0.123 -2.138) 2.148 5.658 ( -46.559 -6.916 0.822) 47.077 8.063 ( -15.631 -2.413 1.075) 15.853 8.793 ( 10.926 -0.664 0.886) 10.982 10.127 ( 0.438 2.929 -0.609) 3.023 11.328 ( 5.213 0.533 -12.978) 13.996 11.948 ( 30.884 4.934 8.996) 32.543 15.167 ( 9.585 -0.565 -0.755) 9.631 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -20.856 -1.108 5.089) 21.497 1.875 ( -15.717 -0.710 2.201) 15.886 2.781 ( -20.955 0.439 1.985) 21.053 3.177 ( -27.561 -0.376 -0.479) 27.568 4.679 ( -13.719 1.908 -6.624) 15.353 4.793 ( -40.914 -1.801 4.204) 41.169 7.806 ( -13.070 -0.338 0.832) 13.101 9.028 ( 16.853 -0.804 -0.441) 16.878 10.176 ( 3.569 0.431 -0.437) 3.622 11.331 ( -1.298 0.703 -13.036) 13.120 12.544 ( 31.343 1.739 10.761) 33.185 15.274 ( 5.477 -1.933 -6.036) 8.377 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 13.883 6.016) 15.130 1.850 ( -0.000 16.424 17.659) 24.116 2.653 ( 0.000 21.845 6.938) 22.921 2.880 ( 0.000 21.938 -1.949) 22.024 4.229 ( 0.000 46.290 -3.181) 46.400 4.680 ( 0.000 10.377 -3.435) 10.931 7.734 ( 0.000 11.942 1.754) 12.070 9.209 ( -0.000 -15.089 1.167) 15.134 10.169 ( -0.000 -6.450 -1.511) 6.624 10.897 ( 0.000 7.016 -27.036) 27.932 13.021 ( -0.000 -31.034 16.001) 34.916 15.173 ( 0.000 3.391 -14.299) 14.696 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 2.762 11.090 4.803) 12.397 2.073 ( 2.511 14.035 13.626) 19.721 2.906 ( 3.993 17.632 4.451) 18.618 3.193 ( 10.269 24.622 -1.154) 26.702 4.516 ( 2.135 9.100 -10.078) 13.745 5.024 ( 9.187 45.321 2.591) 46.316 7.890 ( 3.059 13.690 1.858) 14.150 9.028 ( -5.843 -12.466 1.049) 13.808 10.109 ( 0.977 -5.270 -1.279) 5.511 10.863 ( 1.362 -0.994 -24.737) 24.794 12.728 ( -4.514 -30.502 17.215) 35.314 15.125 ( -3.754 0.980 -12.871) 13.443 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 5.384 9.881 2.919) 11.625 2.286 ( 3.572 11.474 10.826) 16.175 3.132 ( 4.262 11.702 0.589) 12.468 3.674 ( 16.085 26.520 -0.576) 31.022 4.569 ( 1.571 4.463 -8.378) 9.622 5.705 ( 16.562 42.653 2.111) 45.804 8.115 ( 5.842 15.169 2.357) 16.425 8.789 ( -9.455 -8.164 -0.921) 12.526 10.105 ( 2.937 -1.636 -0.885) 3.477 10.764 ( 0.449 -8.124 -21.581) 23.064 12.388 ( -7.425 -28.661 17.492) 34.388 14.985 ( -7.734 -1.819 -11.380) 13.879 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 5.501 9.920 1.662) 11.464 2.489 ( 5.307 8.740 8.734) 13.448 3.279 ( 3.521 6.222 -4.075) 8.229 4.208 ( 14.974 26.148 -1.405) 30.165 4.631 ( 2.651 5.813 -3.019) 7.066 6.379 ( 18.054 32.195 1.313) 36.935 8.379 ( 5.779 13.698 2.685) 15.108 8.588 ( -5.793 -1.033 -2.342) 6.334 10.161 ( 2.320 3.630 -1.472) 4.553 10.598 ( -0.624 -12.291 -17.488) 21.384 12.026 ( -9.544 -25.805 15.684) 31.669 14.771 ( -9.581 -4.604 -9.392) 14.184 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 2.984 10.555 1.471) 11.067 2.687 ( 6.666 5.597 6.124) 10.643 3.364 ( 4.164 2.660 -7.755) 9.196 4.546 ( 3.223 7.679 -2.064) 8.580 4.853 ( 8.205 23.948 2.238) 25.414 6.923 ( 14.491 20.718 0.717) 25.293 8.452 ( 0.922 1.228 -1.024) 1.846 8.719 ( 6.766 14.781 1.139) 16.295 10.196 ( -3.009 2.844 -6.733) 7.904 10.442 ( 0.461 -7.686 -8.236) 11.275 11.665 ( -10.630 -20.518 11.675) 25.890 14.534 ( -7.894 -7.372 -6.640) 12.678 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.077 11.146 1.250) 11.216 2.840 ( 4.823 2.051 2.933) 6.006 3.445 ( 6.697 1.089 -9.154) 11.394 4.581 ( -1.282 -0.404 2.677) 2.995 5.236 ( 2.219 30.753 0.789) 30.843 7.271 ( 8.693 10.542 0.302) 13.668 8.569 ( 10.537 2.984 -0.241) 10.954 8.960 ( 5.051 11.441 0.568) 12.519 10.068 ( -3.727 -7.203 -10.265) 13.083 10.401 ( -5.663 5.104 0.904) 7.678 11.365 ( -8.884 -10.575 5.859) 15.002 14.339 ( -3.026 -9.692 -3.334) 10.687 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -3.250 11.262 0.483) 11.731 2.904 ( 1.927 -1.038 -0.079) 2.190 3.557 ( 8.502 0.192 -8.724) 12.183 4.539 ( -2.749 -2.915 5.516) 6.818 5.501 ( -7.383 31.395 -0.115) 32.251 7.448 ( 4.970 2.744 0.074) 5.678 8.833 ( 15.511 3.215 1.091) 15.878 9.083 ( 0.572 2.540 -0.615) 2.675 9.929 ( -0.132 -7.758 -7.512) 10.800 10.315 ( -12.880 9.948 4.424) 16.865 11.202 ( -6.293 0.324 -0.095) 6.302 14.234 ( 3.105 -10.473 -0.098) 10.924 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -6.437 8.541 -0.495) 10.706 2.901 ( -0.684 -0.546 -1.584) 1.810 3.663 ( 7.113 -1.620 -7.570) 10.514 4.484 ( -1.616 -3.175 6.400) 7.325 5.592 ( -16.512 28.588 -0.423) 33.017 7.503 ( 1.310 -2.320 0.007) 2.665 9.019 ( -3.540 -8.602 -0.353) 9.308 9.110 ( 11.155 2.010 2.416) 11.590 9.873 ( 3.216 -3.361 -6.484) 7.980 10.260 ( -9.253 16.481 6.035) 19.841 11.115 ( -6.124 3.173 -3.769) 7.860 14.240 ( 8.382 -8.975 2.317) 12.497 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -7.638 4.255 -0.771) 8.777 2.856 ( -5.013 1.669 -2.009) 5.653 3.703 ( 2.727 -3.821 -5.167) 6.981 4.478 ( 1.952 -1.762 4.909) 5.569 5.496 ( -23.882 22.017 -0.302) 32.484 7.447 ( -4.479 -3.732 0.129) 5.832 8.833 ( -5.352 -12.405 1.407) 13.583 9.179 ( -4.192 -2.488 2.451) 5.456 10.002 ( 14.343 4.564 -6.632) 16.448 10.337 ( -5.392 17.641 5.895) 19.365 11.032 ( -3.115 -0.213 -5.052) 5.938 14.350 ( 11.886 -5.936 3.318) 13.694 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -8.162 1.933 -0.121) 8.388 2.744 ( -9.391 1.488 -1.635) 9.648 3.652 ( -2.522 -4.151 -2.605) 5.512 4.538 ( 4.565 -0.490 2.257) 5.116 5.217 ( -28.918 13.117 0.066) 31.754 7.267 ( -13.379 -3.306 0.270) 13.784 8.638 ( -4.416 -10.092 2.073) 11.209 8.994 ( -13.171 -3.263 1.646) 13.669 10.309 ( 4.007 11.825 -3.035) 12.850 10.441 ( 9.316 7.669 -0.985) 12.106 11.019 ( 5.248 -2.099 -1.691) 5.900 14.535 ( 13.725 -3.061 2.653) 14.311 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -8.969 0.877 0.833) 9.050 2.561 ( -12.579 0.271 -0.290) 12.585 3.527 ( -7.465 -2.558 -1.452) 8.024 4.601 ( -1.132 0.790 -0.337) 1.421 4.804 ( -26.364 4.082 0.784) 26.689 6.909 ( -25.707 -2.958 0.371) 25.879 8.511 ( -3.920 -4.165 1.213) 5.847 8.730 ( -12.528 -2.985 1.011) 12.919 10.280 ( -9.509 5.906 0.171) 11.195 10.833 ( 24.608 3.931 -14.352) 28.758 11.166 ( 12.090 0.205 10.014) 15.701 14.756 ( 13.928 -1.671 0.381) 14.033 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -10.952 -0.137 0.942) 10.994 2.333 ( -14.433 0.369 2.175) 14.600 3.343 ( -12.126 -0.242 -0.859) 12.159 4.225 ( -32.105 -0.098 -0.106) 32.105 4.706 ( 1.567 -0.078 -1.497) 2.168 6.350 ( -37.800 -0.179 0.539) 37.804 8.324 ( -15.485 -0.634 0.968) 15.529 8.641 ( 4.348 -1.490 -1.010) 4.706 10.181 ( -4.827 0.204 -0.218) 4.836 11.136 ( 13.672 1.954 -19.908) 24.229 11.538 ( 24.786 1.308 18.900) 31.197 14.960 ( 12.318 -2.015 -3.224) 12.891 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -16.520 1.229 2.202) 16.712 2.116 ( -13.389 0.291 2.980) 13.719 3.114 ( -15.902 2.774 0.715) 16.158 3.673 ( -30.954 -1.249 -0.386) 30.981 4.709 ( -0.430 0.284 -3.994) 4.027 5.660 ( -46.398 6.517 1.032) 46.865 8.059 ( -15.523 1.427 0.650) 15.602 8.763 ( 11.472 -1.858 -2.328) 11.852 10.133 ( 0.483 -2.139 0.032) 2.193 11.261 ( 5.985 1.727 -16.514) 17.649 12.066 ( 29.547 -1.495 17.970) 34.615 15.101 ( 9.133 -3.228 -7.726) 12.390 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 0.000 8.328 2.592) 8.722 2.227 ( -0.000 12.330 13.445) 18.243 3.058 ( 0.000 16.412 2.082) 16.543 3.331 ( 0.000 23.984 -1.049) 24.007 4.541 ( 0.000 5.681 -9.662) 11.209 5.427 ( 0.000 49.035 2.394) 49.093 8.007 ( 0.000 14.718 1.076) 14.758 8.979 ( -0.000 -8.610 1.650) 8.767 10.037 ( -0.000 -5.870 -0.952) 5.947 10.745 ( 0.000 -5.897 -24.058) 24.770 12.514 ( -0.000 -30.670 16.575) 34.862 15.129 ( 0.000 0.020 -10.916) 10.916 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 3.945 7.255 1.620) 8.416 2.385 ( 1.325 9.770 11.513) 15.158 3.210 ( 0.804 12.070 -1.759) 12.224 3.666 ( 11.905 23.436 -0.800) 26.299 4.574 ( 0.791 5.390 -7.393) 9.183 5.952 ( 6.279 44.027 1.894) 44.512 8.189 ( 3.731 15.378 0.987) 15.855 8.865 ( -6.321 -3.976 -0.025) 7.468 10.014 ( 3.593 -3.645 -0.334) 5.129 10.601 ( 0.438 -10.568 -21.003) 23.516 12.239 ( -3.165 -29.496 15.479) 33.460 15.049 ( -5.013 -1.716 -9.320) 10.721 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 7.040 7.344 1.109) 10.233 2.532 ( 2.489 7.129 9.645) 12.249 3.301 ( 0.259 7.174 -5.931) 9.311 4.153 ( 17.858 22.224 -1.310) 28.540 4.639 ( 2.501 6.323 -2.609) 7.283 6.481 ( 9.485 34.514 1.207) 35.814 8.431 ( 5.795 14.810 1.740) 15.999 8.711 ( -8.657 1.810 -2.039) 9.076 10.093 ( 7.199 0.834 -0.468) 7.262 10.427 ( -0.219 -13.288 -16.741) 21.375 11.930 ( -5.262 -27.488 13.485) 31.066 14.871 ( -9.537 -3.717 -8.024) 13.006 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 7.620 8.187 1.092) 11.238 2.668 ( 3.796 4.476 7.362) 9.415 3.333 ( 0.342 3.578 -8.426) 9.161 4.548 ( 5.569 9.058 -2.031) 10.826 4.873 ( 14.985 18.856 2.207) 24.186 6.934 ( 9.639 23.160 0.674) 25.095 8.527 ( -5.815 4.956 -0.775) 7.680 8.766 ( 5.548 15.020 0.887) 16.037 10.177 ( -0.935 -6.763 -12.561) 14.296 10.317 ( 7.701 -0.846 -1.551) 7.901 11.616 ( -5.976 -23.870 10.834) 26.886 14.618 ( -11.596 -5.860 -6.683) 14.611 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( 4.662 8.977 2.456) 10.409 2.791 ( 4.753 2.379 3.036) 6.122 3.349 ( 2.335 1.204 -8.569) 8.963 4.612 ( -1.074 1.439 1.797) 2.540 5.385 ( 14.949 26.168 1.006) 30.154 7.246 ( 6.564 11.619 0.395) 13.351 8.522 ( 0.116 6.761 -0.040) 6.762 9.002 ( 4.493 12.217 1.306) 13.082 9.985 ( -2.962 -12.312 -11.486) 17.096 10.504 ( 4.674 10.046 0.435) 11.089 11.352 ( -3.788 -16.902 7.579) 18.907 14.345 ( -9.734 -8.097 -4.893) 13.574 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 2.794 3.029 3.350) 5.311 2.884 ( 0.312 7.403 -1.163) 7.500 3.399 ( 6.291 -0.698 -7.394) 9.734 4.580 ( -3.193 -1.562 3.818) 5.216 5.841 ( 5.284 29.865 0.169) 30.329 7.387 ( 3.344 0.701 0.320) 3.432 8.669 ( 8.239 6.751 1.613) 10.773 9.132 ( -0.369 5.731 0.399) 5.757 9.802 ( -0.376 -11.794 -8.318) 14.437 10.610 ( -5.899 12.295 2.397) 13.846 11.234 ( 0.599 -5.489 2.444) 6.038 14.126 ( -3.691 -9.759 -2.474) 10.723 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -1.013 -1.024 -1.768) 2.281 2.956 ( -2.721 10.146 1.789) 10.656 3.493 ( 8.182 -2.004 -6.445) 10.607 4.512 ( -3.262 -2.928 4.610) 6.361 6.115 ( -8.925 30.737 -0.341) 32.008 7.408 ( 3.915 -7.340 0.408) 8.328 8.871 ( 7.129 -1.026 1.310) 7.321 9.131 ( -1.991 4.377 1.436) 5.019 9.710 ( 4.583 -9.475 -6.419) 12.328 10.610 ( -9.154 14.813 4.984) 18.112 11.211 ( -2.847 0.875 -2.636) 3.977 14.033 ( 4.539 -9.333 -0.004) 10.378 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -4.569 -0.052 -1.469) 4.799 2.981 ( -4.904 6.916 0.636) 8.502 3.578 ( 6.180 -2.475 -5.287) 8.501 4.460 ( -0.758 -2.650 4.293) 5.102 6.115 ( -22.238 23.193 -0.364) 32.134 7.403 ( 3.953 -7.381 0.310) 8.379 8.806 ( -4.755 -9.215 0.519) 10.383 9.220 ( 0.773 4.132 2.847) 5.077 9.758 ( 12.179 -3.224 -5.559) 13.771 10.652 ( -6.335 17.081 6.419) 19.316 11.100 ( -8.056 -2.100 -5.450) 9.951 14.094 ( 11.072 -6.469 1.179) 12.877 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -6.487 0.455 0.058) 6.503 2.920 ( -8.254 3.212 -0.453) 8.869 3.616 ( 2.041 -1.453 -3.747) 4.508 4.469 ( 2.978 -1.573 2.945) 4.474 5.833 ( -29.284 10.263 -0.054) 31.031 7.377 ( -2.431 -2.648 0.127) 3.597 8.634 ( -5.378 -6.561 1.040) 8.547 9.167 ( -8.483 -0.908 1.102) 8.603 10.027 ( 20.017 2.433 -4.513) 20.664 10.722 ( -11.142 15.141 5.396) 19.558 10.920 ( -0.479 -7.391 -4.000) 8.418 14.268 ( 14.135 -3.249 0.446) 14.510 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -7.827 0.394 1.482) 7.976 2.771 ( -10.963 0.600 -0.105) 10.980 3.595 ( -2.795 0.625 -3.012) 4.156 4.536 ( 4.969 -0.777 1.249) 5.182 5.357 ( -31.756 -0.024 0.290) 31.757 7.233 ( -13.747 -0.037 0.174) 13.748 8.524 ( -3.152 -1.085 -0.022) 3.334 8.962 ( -14.042 -0.793 0.468) 14.072 10.405 ( 20.905 2.954 -5.057) 21.710 10.528 ( -11.685 -2.917 -3.435) 12.524 11.017 ( 8.881 2.590 7.144) 11.689 14.491 ( 14.629 -1.534 -1.742) 14.812 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -9.336 -1.089 1.595) 9.533 2.580 ( -12.349 1.419 1.882) 12.572 3.514 ( -7.570 2.552 -2.852) 8.482 4.594 ( -1.220 -1.043 -1.070) 1.929 4.805 ( -26.505 -4.478 0.873) 26.895 6.908 ( -25.735 2.585 0.254) 25.866 8.488 ( -3.240 2.066 -1.337) 4.069 8.714 ( -13.488 1.039 -0.697) 13.546 10.273 ( -8.736 -6.189 -0.705) 10.729 10.791 ( 21.452 1.408 -13.718) 25.502 11.267 ( 15.035 0.703 15.811) 21.830 14.707 ( 13.392 -1.658 -4.761) 14.309 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -10.575 -1.904 0.721) 10.770 2.397 ( -13.906 4.017 4.087) 15.040 3.377 ( -11.357 4.359 -1.910) 12.314 4.167 ( -29.986 -4.784 -0.422) 30.368 4.694 ( 1.274 0.014 -2.365) 2.686 6.436 ( -35.360 8.045 0.404) 36.266 8.345 ( -14.844 2.472 -0.002) 15.048 8.628 ( 1.722 1.745 -4.157) 4.826 10.114 ( -2.651 -6.075 0.242) 6.633 11.054 ( 13.804 0.817 -17.563) 22.354 11.645 ( 23.792 -3.420 21.559) 32.289 14.873 ( 10.863 -2.896 -8.190) 13.909 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 0.000 5.686 0.747) 5.735 2.493 ( -0.000 7.476 10.701) 13.054 3.303 ( 0.000 9.520 -5.313) 10.902 3.772 ( 0.000 21.021 -0.755) 21.035 4.602 ( 0.000 5.784 -5.250) 7.812 6.322 ( 0.000 39.535 1.393) 39.559 8.302 ( 0.000 14.536 -0.540) 14.546 8.909 ( 0.000 1.532 -0.955) 1.805 9.942 ( -0.000 -3.377 0.416) 3.403 10.422 ( 0.000 -12.660 -17.519) 21.615 12.021 ( -0.000 -28.918 13.130) 31.759 15.049 ( 0.000 -2.245 -7.448) 7.779 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 4.987 5.145 0.373) 7.175 2.593 ( 0.924 5.098 9.413) 10.745 3.353 ( -0.719 6.107 -8.528) 10.513 4.079 ( 12.766 18.931 -0.818) 22.848 4.658 ( 1.274 5.735 -1.836) 6.155 6.705 ( 3.426 31.203 0.616) 31.396 8.479 ( 4.830 13.468 -0.716) 14.326 8.883 ( -6.776 6.746 -3.141) 10.064 9.972 ( 5.920 -0.723 0.928) 6.036 10.251 ( 0.085 -13.181 -12.555) 18.204 11.760 ( -2.256 -27.415 10.507) 29.446 14.952 ( -6.009 -3.141 -6.174) 9.170 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 8.926 5.297 0.344) 10.385 2.681 ( 1.807 2.867 7.718) 8.429 3.355 ( -1.231 3.734 -9.485) 10.268 4.504 ( 13.226 14.127 -1.411) 19.403 4.780 ( 9.533 7.924 1.713) 12.514 7.038 ( 4.903 21.660 0.097) 22.208 8.676 ( 0.369 10.358 -0.563) 10.380 8.852 ( -2.352 12.721 -3.031) 13.287 10.061 ( 0.342 -9.004 -10.201) 13.611 10.155 ( 9.644 -0.869 1.951) 9.877 11.485 ( -3.204 -24.261 8.116) 25.782 14.750 ( -11.238 -4.171 -5.384) 13.140 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 10.472 5.947 0.588) 12.057 2.756 ( 2.475 0.882 5.098) 5.735 3.336 ( -1.109 2.358 -8.007) 8.420 4.656 ( -0.609 3.579 1.129) 3.802 5.244 ( 24.981 16.149 0.836) 29.758 7.284 ( 3.712 12.681 0.156) 13.214 8.676 ( -7.084 10.584 -1.168) 12.789 9.038 ( 5.437 11.551 -0.364) 12.772 9.890 ( -3.439 -10.861 -7.863) 13.842 10.412 ( 14.608 5.353 0.589) 15.569 11.245 ( -2.270 -18.546 6.570) 19.806 14.471 ( -13.859 -5.247 -4.632) 15.526 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 2.441 -0.446 2.666) 3.642 2.893 ( 9.046 7.291 0.466) 11.628 3.319 ( 0.052 0.428 -5.784) 5.800 4.640 ( -3.503 0.079 2.198) 4.136 5.839 ( 23.389 18.969 0.247) 30.115 7.390 ( -1.265 3.585 0.266) 3.811 8.705 ( -1.313 10.661 1.004) 10.789 9.186 ( 1.521 5.999 -0.554) 6.214 9.698 ( -3.959 -10.699 -5.863) 12.826 10.707 ( 9.485 9.429 -0.882) 13.403 11.114 ( 2.857 -10.980 5.467) 12.594 14.175 ( -12.186 -6.193 -3.383) 14.082 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 1.523 -0.879 0.078) 1.761 3.085 ( 2.121 9.652 2.047) 10.092 3.325 ( 5.015 -3.209 -4.964) 7.751 4.566 ( -4.559 -1.780 2.277) 5.398 6.374 ( 13.993 23.389 -0.093) 27.255 7.311 ( -4.991 -7.740 0.271) 9.214 8.823 ( 2.631 6.324 2.180) 7.188 9.218 ( -2.028 4.499 0.064) 4.936 9.537 ( 0.359 -10.832 -4.942) 11.911 10.844 ( -2.934 8.796 1.883) 9.462 11.172 ( 7.312 -1.999 0.589) 7.603 13.951 ( -5.127 -6.118 -1.516) 8.125 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -0.820 -0.198 -0.567) 1.017 3.134 ( -5.017 5.304 1.485) 7.451 3.418 ( 9.050 -1.220 -3.537) 9.793 4.481 ( -3.436 -2.259 1.991) 4.569 6.665 ( -13.348 24.026 -0.385) 27.487 7.171 ( 8.420 -15.867 0.431) 17.968 8.835 ( -4.434 -2.008 0.872) 4.945 9.267 ( -0.327 5.675 2.282) 6.125 9.509 ( 9.578 -5.694 -4.348) 11.961 10.862 ( -3.432 5.853 2.945) 7.396 11.203 ( -4.028 0.679 -2.077) 4.582 13.897 ( 4.885 -3.828 -0.153) 6.208 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -3.885 0.855 0.610) 4.024 3.059 ( -6.274 -0.658 -0.186) 6.312 3.544 ( 5.567 2.413 -2.236) 6.466 4.433 ( -0.114 -1.845 1.600) 2.445 6.379 ( -27.845 0.202 -0.054) 27.846 7.298 ( 9.272 -0.182 0.116) 9.275 8.714 ( -7.105 -0.195 1.104) 7.193 9.254 ( -2.896 -1.850 -0.651) 3.498 9.728 ( 16.181 2.896 -1.401) 16.498 10.842 ( -1.367 -6.359 -1.422) 6.658 11.067 ( -12.267 6.009 2.271) 13.848 14.022 ( 11.576 -0.599 -0.669) 11.611 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -6.693 0.571 2.113) 7.041 2.921 ( -7.452 -2.658 -0.397) 7.922 3.627 ( 0.821 4.551 -2.608) 5.309 4.453 ( 3.625 -1.372 1.314) 4.092 5.835 ( -29.337 -10.111 0.149) 31.031 7.377 ( -2.359 2.557 0.124) 3.482 8.627 ( -6.207 5.475 0.239) 8.280 9.147 ( -7.759 -1.049 -1.022) 7.896 10.053 ( 19.251 2.252 -2.031) 19.488 10.618 ( -8.236 -15.928 -4.513) 18.490 11.034 ( -2.566 7.670 7.294) 10.891 14.239 ( 13.439 1.204 -2.580) 13.737 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -8.726 -2.683 1.712) 9.288 2.776 ( -8.397 0.808 1.886) 8.644 3.640 ( -4.021 5.594 -3.859) 7.896 4.524 ( 5.153 -1.080 0.742) 5.316 5.220 ( -28.937 -13.108 0.346) 31.770 7.265 ( -13.549 2.899 0.058) 13.856 8.601 ( -5.498 8.726 -1.857) 10.479 8.968 ( -13.045 1.656 -1.095) 13.195 10.312 ( -6.933 -13.795 -3.846) 15.911 10.402 ( 20.556 -0.597 -2.888) 20.767 11.133 ( 6.049 1.198 9.351) 11.201 14.464 ( 12.629 1.058 -4.846) 13.568 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( -9.047 -3.631 0.668) 9.771 2.657 ( -10.166 4.266 4.222) 11.806 3.581 ( -7.985 6.021 -4.501) 10.967 4.531 ( -13.093 -5.380 -1.358) 14.220 4.690 ( -9.946 -5.793 1.025) 11.555 6.996 ( -22.561 5.914 -0.253) 23.325 8.567 ( -7.936 6.399 -2.298) 10.451 8.760 ( -12.779 4.874 -3.236) 14.054 10.092 ( -3.605 -10.090 -0.016) 10.715 10.721 ( 19.163 -1.630 -9.860) 21.613 11.330 ( 15.229 -4.668 14.861) 21.784 14.647 ( 10.516 -0.451 -7.013) 12.648 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 3.946 -0.028) 3.947 2.653 ( -0.000 3.066 8.411) 8.952 3.381 ( 0.000 4.130 -10.305) 11.102 4.131 ( 0.000 15.824 -0.568) 15.835 4.698 ( 0.000 5.208 -0.233) 5.213 6.951 ( 0.000 24.033 -0.511) 24.038 8.546 ( 0.000 10.895 -2.271) 11.129 9.023 ( 0.000 11.406 -5.541) 12.680 9.918 ( -0.000 0.227 1.923) 1.936 10.100 ( -0.000 -11.508 -6.186) 13.065 11.540 ( -0.000 -26.367 7.395) 27.385 14.960 ( 0.000 -2.963 -4.731) 5.582 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 5.816 3.434 -0.064) 6.754 2.703 ( 0.710 1.297 6.974) 7.129 3.376 ( -0.774 2.870 -9.732) 10.176 4.390 ( 13.253 13.286 -0.624) 18.776 4.755 ( 1.469 3.802 1.292) 4.276 7.165 ( 2.281 16.353 -1.260) 16.560 8.692 ( 6.188 9.160 -1.978) 11.229 9.066 ( -6.605 13.636 -6.642) 16.544 9.959 ( 0.642 -4.567 -2.897) 5.447 10.017 ( 5.063 -2.861 3.330) 6.701 11.303 ( -0.799 -23.440 4.852) 23.951 14.860 ( -6.818 -2.979 -3.940) 8.419 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 10.387 3.259 0.001) 10.886 2.744 ( 1.289 -0.067 5.036) 5.199 3.361 ( -1.136 2.526 -6.865) 7.402 4.696 ( 3.045 6.377 0.164) 7.069 4.939 ( 21.279 6.673 1.022) 22.324 7.341 ( 3.265 10.269 -0.875) 10.811 8.869 ( 1.099 9.813 -1.329) 9.964 9.076 ( -1.910 10.970 -4.737) 12.101 9.858 ( -3.858 -5.315 -1.394) 6.714 10.184 ( 13.104 -0.619 1.959) 13.264 11.107 ( 0.128 -16.858 3.612) 17.241 14.652 ( -12.641 -2.945 -3.486) 13.439 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 12.190 2.927 -0.691) 12.555 2.779 ( 2.304 -0.568 3.552) 4.272 3.343 ( -1.902 2.082 -3.391) 4.411 4.709 ( -3.226 1.139 0.713) 3.495 5.489 ( 30.933 8.407 0.174) 32.055 7.454 ( 0.390 5.266 -0.089) 5.281 8.895 ( -7.051 11.416 -0.530) 13.429 9.176 ( 4.032 2.662 -2.590) 5.482 9.714 ( -7.454 -4.029 -0.786) 8.509 10.464 ( 20.423 -0.494 -0.598) 20.438 11.011 ( 1.263 -8.009 3.834) 8.969 14.369 ( -15.705 -2.643 -2.786) 16.168 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 1.990 -0.719 0.729) 2.238 3.001 ( 13.160 2.707 0.262) 13.438 3.309 ( -3.360 1.084 -0.666) 3.593 4.640 ( -4.924 -0.769 0.061) 4.984 6.102 ( 31.298 7.165 0.090) 32.108 7.421 ( -8.179 0.229 0.016) 8.183 8.898 ( -3.215 6.200 0.785) 7.028 9.234 ( 3.166 0.956 -2.090) 3.912 9.529 ( -8.985 -3.900 -0.063) 9.795 10.821 ( 17.542 3.458 -3.360) 18.193 11.002 ( 3.475 -4.295 4.910) 7.391 14.080 ( -14.075 -1.617 -1.432) 14.240 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 1.553 -0.010 0.045) 1.554 3.210 ( 5.567 -5.750 -2.968) 8.536 3.273 ( 1.534 7.300 3.847) 8.393 4.540 ( -5.124 -1.286 -0.703) 5.330 6.654 ( 27.570 0.156 0.136) 27.570 7.185 ( -18.170 -0.237 -0.161) 18.172 8.880 ( -1.777 -1.612 -0.732) 2.508 9.326 ( 3.573 -4.953 -1.598) 6.313 9.376 ( -3.762 7.878 2.613) 9.113 10.930 ( -2.127 -0.865 -0.507) 2.351 11.154 ( 10.726 -0.447 0.349) 10.741 13.892 ( -6.309 0.865 0.063) 6.369 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -0.108 1.196 0.549) 1.321 3.111 ( -4.243 -6.652 -0.911) 7.942 3.468 ( 7.768 5.780 1.855) 9.859 4.451 ( -3.402 -0.950 -1.138) 3.711 6.671 ( -13.500 -23.898 0.217) 27.449 7.165 ( 8.639 15.671 -0.237) 17.897 8.827 ( -2.920 0.889 -0.039) 3.052 9.226 ( -1.139 -6.508 -1.820) 6.853 9.578 ( 8.426 9.879 2.735) 13.269 10.814 ( -5.260 -9.603 -1.985) 11.128 11.236 ( -1.418 1.403 1.288) 2.374 13.899 ( 3.841 4.111 0.080) 5.627 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -4.434 1.022 2.345) 5.119 2.963 ( -3.670 -6.942 -1.405) 7.977 3.637 ( 4.389 6.294 0.623) 7.699 4.409 ( 0.028 -0.758 -0.780) 1.088 6.120 ( -22.328 -23.025 0.153) 32.073 7.400 ( 4.211 7.306 -0.031) 8.433 8.813 ( -5.097 9.189 1.211) 10.578 9.165 ( 1.218 -5.102 -2.903) 5.995 9.832 ( 10.930 6.545 1.890) 12.879 10.555 ( -7.614 -17.817 -3.552) 19.699 11.187 ( -5.522 1.382 3.835) 6.863 14.068 ( 9.375 5.785 -1.534) 11.122 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( -8.120 -5.804 1.273) 10.062 2.886 ( -3.181 0.879 1.291) 3.544 3.734 ( -0.491 7.029 -2.213) 7.385 4.433 ( 3.793 -1.136 0.530) 3.995 5.501 ( -23.943 -21.913 0.159) 32.457 7.446 ( -4.611 3.628 0.017) 5.867 8.818 ( -7.434 11.959 -0.222) 14.083 9.131 ( -3.342 1.790 -2.562) 4.576 10.087 ( 14.283 1.371 0.654) 14.363 10.238 ( -5.269 -19.600 -2.808) 20.489 11.128 ( -2.121 -1.861 4.974) 5.719 14.286 ( 10.147 5.261 -3.323) 11.903 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -7.724 -5.641 0.449) 9.575 2.843 ( -5.725 3.632 3.543) 7.650 3.742 ( -5.210 7.097 -5.336) 10.294 4.504 ( 4.911 -1.473 1.209) 5.268 4.912 ( -21.995 -16.808 0.385) 27.685 7.333 ( -12.392 3.985 -0.580) 13.030 8.780 ( -8.574 8.433 -1.821) 12.163 9.034 ( -12.555 7.457 -3.518) 15.020 10.020 ( -0.685 -13.236 -0.064) 13.254 10.351 ( 18.022 -3.268 -1.843) 18.409 11.130 ( 5.693 -6.274 6.395) 10.615 14.478 ( 8.701 3.165 -4.553) 10.317 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 2.401 -0.142) 2.405 2.723 ( -0.000 0.035 5.723) 5.723 3.379 ( 0.000 2.227 -8.095) 8.395 4.379 ( 0.000 9.732 -0.314) 9.737 4.784 ( 0.000 2.887 1.203) 3.128 7.271 ( 0.000 10.604 -2.137) 10.817 8.697 ( 0.000 6.126 -2.286) 6.538 9.241 ( 0.000 13.664 -8.567) 16.128 9.934 ( -0.000 -4.853 4.666) 6.732 9.959 ( -0.000 2.147 1.933) 2.889 11.096 ( -0.000 -21.197 2.202) 21.311 14.884 ( 0.000 -2.199 -3.046) 3.756 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 6.317 1.766 -0.047) 6.560 2.739 ( 0.545 -0.800 4.218) 4.328 3.378 ( -0.317 2.294 -4.587) 5.138 4.589 ( 14.400 7.267 -0.355) 16.133 4.808 ( 0.505 0.854 0.865) 1.317 7.368 ( 2.383 6.459 -1.504) 7.047 8.818 ( 8.177 4.847 -1.341) 9.600 9.277 ( -6.758 10.905 -6.469) 14.368 9.899 ( -2.606 0.066 4.301) 5.029 10.019 ( 4.719 -2.093 1.478) 5.369 10.935 ( 2.235 -14.717 1.146) 14.930 14.795 ( -7.299 -1.474 -2.610) 7.891 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 11.066 1.115 -0.150) 11.123 2.753 ( 1.107 -1.147 2.736) 3.166 3.384 ( -0.957 2.310 -0.722) 2.603 4.768 ( -2.084 1.330 -0.651) 2.556 5.035 ( 27.114 2.465 0.268) 27.227 7.463 ( 3.008 3.274 -0.291) 4.455 9.017 ( 8.375 4.793 -0.516) 9.663 9.200 ( -9.410 4.763 -2.511) 10.842 9.837 ( -7.570 0.923 1.613) 7.794 10.125 ( 14.213 -4.456 -0.138) 14.896 10.904 ( 4.453 -5.461 1.568) 7.219 14.600 ( -13.293 -0.469 -2.080) 13.463 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 6.303 -0.658 -1.403) 6.491 2.794 ( 8.863 -0.448 2.336) 9.176 3.379 ( -2.390 1.898 2.280) 3.810 4.709 ( -4.177 -0.692 -1.686) 4.557 5.573 ( 33.127 -0.022 0.180) 33.128 7.504 ( -0.968 0.045 -0.026) 0.969 9.043 ( -9.620 -1.250 -0.395) 9.709 9.170 ( 5.072 3.172 -0.282) 5.989 9.687 ( -9.718 -0.154 1.169) 9.790 10.438 ( 23.735 0.356 -1.189) 23.768 10.946 ( 2.825 -1.664 1.541) 3.622 14.342 ( -16.201 1.178 -0.914) 16.270 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 2.564 -0.726 -0.515) 2.714 2.992 ( 11.957 -3.064 -0.416) 12.351 3.361 ( -2.689 2.535 4.703) 5.981 4.614 ( -5.100 -0.884 -2.744) 5.858 6.103 ( 31.336 -7.239 0.177) 32.161 7.418 ( -8.234 -0.423 -0.347) 8.252 8.870 ( -4.269 -7.396 -2.110) 8.796 9.262 ( 2.400 0.302 0.814) 2.552 9.564 ( -7.546 7.140 3.590) 10.991 10.851 ( 22.244 1.054 -1.716) 22.335 10.943 ( -1.352 -3.144 0.267) 3.433 14.101 ( -14.027 3.928 0.820) 14.590 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 2.876 -0.198 -0.905) 3.021 3.060 ( 1.799 -8.097 -0.684) 8.322 3.424 ( 4.528 4.997 5.625) 8.782 4.513 ( -4.882 -0.014 -3.385) 5.941 6.376 ( 14.234 -23.569 0.131) 27.534 7.305 ( -5.077 7.720 -0.332) 9.246 8.775 ( 2.925 -6.594 -2.874) 7.765 9.226 ( -3.231 -4.116 0.904) 5.310 9.634 ( 0.441 13.633 5.138) 14.576 10.818 ( -6.224 -9.581 -0.595) 11.440 11.146 ( 11.392 0.402 -2.293) 11.627 13.984 ( -6.252 7.448 1.870) 9.902 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 2.696 -0.034 -1.120) 2.919 2.939 ( -4.703 -8.947 0.626) 10.127 3.598 ( 7.214 4.758 4.519) 9.752 4.435 ( -3.439 0.916 -3.327) 4.872 6.120 ( -8.753 -30.806 0.137) 32.026 7.402 ( 4.027 7.397 -0.239) 8.425 8.842 ( 9.509 0.360 -1.807) 9.686 9.126 ( -4.485 -2.524 1.026) 5.248 9.811 ( 3.461 11.329 3.979) 12.496 10.541 ( -11.032 -15.547 -1.981) 19.166 11.230 ( 0.716 -2.109 -0.682) 2.329 14.043 ( 2.125 9.577 1.052) 9.866 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -5.963 -9.728 0.147) 11.411 2.919 ( 0.797 1.754 0.335) 1.955 3.762 ( 4.649 5.106 2.189) 7.245 4.399 ( -0.668 0.729 -1.929) 2.168 5.597 ( -16.497 -28.576 0.098) 32.996 7.503 ( 1.503 2.627 0.001) 3.026 9.036 ( -5.582 1.191 0.974) 5.790 9.069 ( 11.437 7.542 -1.481) 13.779 9.978 ( 4.231 6.238 3.222) 8.198 10.162 ( -11.103 -18.858 -3.089) 22.100 11.160 ( -3.830 -4.913 0.889) 6.292 14.213 ( 5.951 9.008 -0.553) 10.811 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -5.964 -7.620 0.154) 9.677 2.940 ( -1.208 2.483 1.418) 3.104 3.851 ( -0.801 6.018 -2.723) 6.653 4.419 ( 3.125 -0.681 1.217) 3.422 5.054 ( -17.023 -22.177 0.073) 27.957 7.502 ( -4.081 2.002 -0.271) 4.554 8.956 ( -5.342 1.411 -0.350) 5.537 9.287 ( -3.128 15.986 -2.992) 16.562 9.843 ( 0.808 -18.863 1.623) 18.950 10.114 ( 6.605 0.365 -0.345) 6.624 11.046 ( -1.825 -7.482 1.641) 7.874 14.391 ( 6.011 6.422 -1.550) 8.932 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( 0.000 0.857 0.090) 0.862 2.735 ( -0.000 -1.282 3.182) 3.431 3.394 ( 0.000 2.446 -1.022) 2.651 4.506 ( 0.000 3.329 -0.026) 3.329 4.819 ( 0.000 0.372 -0.329) 0.496 7.391 ( 0.000 3.552 -0.588) 3.600 8.771 ( 0.000 2.473 -0.266) 2.488 9.416 ( 0.000 8.159 -4.111) 9.136 9.917 ( -0.000 -2.336 3.787) 4.449 9.999 ( 0.000 0.675 0.147) 0.691 10.789 ( -0.000 -9.013 0.393) 9.022 14.842 ( 0.000 -0.357 -2.226) 2.255 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 6.421 0.046 0.140) 6.423 2.734 ( 0.530 -1.572 2.044) 2.632 3.420 ( -0.327 2.530 2.723) 3.731 4.665 ( 16.200 0.259 0.089) 16.202 4.803 ( -1.292 -0.813 -1.548) 2.174 7.435 ( 2.291 0.913 0.740) 2.575 8.871 ( 8.865 0.782 0.590) 8.919 9.408 ( -7.707 4.344 1.256) 8.935 9.910 ( 1.699 -7.369 -3.817) 8.471 9.968 ( -1.252 2.845 1.708) 3.546 10.792 ( 4.538 -0.037 1.002) 4.647 14.775 ( -7.320 0.871 -1.870) 7.605 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 10.789 -1.109 -0.299) 10.850 2.737 ( 1.410 -1.749 1.079) 2.493 3.441 ( -1.435 1.902 5.375) 5.880 4.750 ( -2.576 -1.869 -2.682) 4.162 5.033 ( 27.493 -2.914 0.085) 27.647 7.474 ( 2.346 -2.577 0.790) 3.573 9.018 ( 6.607 -4.086 -0.424) 7.780 9.263 ( -9.998 -0.535 3.998) 10.781 9.808 ( -4.267 -1.581 -1.483) 4.786 10.119 ( 13.969 3.343 -0.734) 14.382 10.894 ( 3.723 3.561 0.469) 5.173 14.611 ( -12.927 2.540 -0.925) 13.207 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 7.074 -2.572 -2.639) 7.976 2.778 ( 7.555 -2.478 1.829) 8.158 3.439 ( -2.451 1.121 6.831) 7.343 4.669 ( -3.685 -1.504 -3.643) 5.396 5.488 ( 31.035 -8.801 0.042) 32.259 7.454 ( -0.265 -5.349 -0.115) 5.357 8.892 ( -8.352 -10.290 -0.973) 13.289 9.212 ( 2.370 -3.880 1.141) 4.687 9.764 ( -4.987 8.596 4.674) 10.982 10.461 ( 21.964 0.695 -1.008) 21.998 10.960 ( -0.491 4.309 -1.485) 4.584 14.403 ( -15.064 4.943 0.837) 15.876 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 3.943 -2.633 -2.941) 5.580 2.899 ( 8.075 -6.147 0.795) 10.179 3.443 ( -0.152 1.623 7.443) 7.620 4.581 ( -4.183 -0.043 -4.082) 5.844 5.834 ( 23.525 -19.501 -0.176) 30.558 7.384 ( -1.240 -3.574 -0.366) 3.800 8.678 ( -2.913 -9.409 -1.784) 10.010 9.188 ( 1.521 -7.641 -0.299) 7.796 9.833 ( -3.674 15.134 8.327) 17.660 10.729 ( 9.314 -11.346 1.715) 14.779 11.004 ( 3.236 9.603 -6.427) 12.000 14.233 ( -12.239 8.033 2.759) 14.898 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 3.815 -4.897 -3.432) 7.093 2.906 ( 1.140 -6.832 1.123) 7.017 3.534 ( 5.740 2.333 6.936) 9.300 4.506 ( -4.150 1.776 -3.994) 6.027 5.838 ( 5.732 -30.225 -0.195) 30.765 7.381 ( 3.334 -0.714 -0.293) 3.422 8.641 ( 7.861 -4.780 -1.269) 9.287 9.133 ( 0.808 -6.708 0.449) 6.772 9.957 ( -2.805 15.098 7.846) 17.245 10.581 ( -8.663 -13.288 -0.266) 15.865 11.157 ( 4.967 3.553 -5.789) 8.414 14.182 ( -5.506 10.569 3.436) 12.402 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -1.791 -10.537 -1.132) 10.748 2.896 ( 2.641 -0.918 -0.863) 2.926 3.697 ( 7.832 2.042 5.779) 9.945 4.452 ( -3.681 2.874 -3.327) 5.734 5.502 ( -7.060 -31.633 -0.060) 32.411 7.447 ( 5.336 -2.330 -0.058) 5.823 8.818 ( 14.546 -1.576 -0.369) 14.636 9.110 ( 2.399 -1.994 2.159) 3.794 10.061 ( -2.681 10.600 5.704) 12.332 10.240 ( -15.178 -11.829 -2.759) 19.439 11.168 ( -2.390 -2.074 -3.696) 4.865 14.259 ( 0.376 10.756 2.573) 11.066 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -0.000 -0.761 0.352) 0.838 2.716 ( -0.000 -2.078 1.140) 2.371 3.462 ( -0.000 2.593 6.216) 6.735 4.509 ( -0.000 -3.147 0.231) 3.156 4.798 ( 0.000 -1.419 -2.662) 3.017 7.416 ( -0.000 -1.916 1.925) 2.716 8.793 ( -0.000 -0.910 2.134) 2.320 9.519 ( -0.000 -0.101 7.339) 7.339 9.819 ( 0.000 -4.012 -6.969) 8.041 9.979 ( 0.000 -2.000 -1.974) 2.810 10.797 ( 0.000 8.418 1.169) 8.499 14.846 ( 0.000 2.063 -1.816) 2.748 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 6.125 -1.762 0.227) 6.378 2.700 ( 0.668 -2.702 0.065) 2.784 3.500 ( -0.932 1.621 8.366) 8.573 4.597 ( 14.739 -7.087 0.463) 16.360 4.768 ( 0.064 -1.221 -3.585) 3.787 7.399 ( 1.673 -6.195 1.670) 6.630 8.849 ( 7.103 -4.056 1.971) 8.413 9.400 ( -9.170 -10.632 6.075) 15.298 9.822 ( 1.265 5.944 -3.463) 6.995 9.992 ( 5.049 -0.502 -1.182) 5.210 10.924 ( 1.507 12.011 -0.235) 12.108 14.808 ( -6.887 3.480 -1.269) 7.820 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 9.692 -3.325 -0.564) 10.262 2.690 ( 2.021 -3.458 -0.764) 4.078 3.507 ( -2.089 -0.181 8.801) 9.047 4.674 ( 0.294 -4.129 -2.456) 4.813 4.919 ( 23.541 -8.297 -1.015) 24.981 7.352 ( 2.289 -10.834 0.321) 11.078 8.879 ( 0.435 -9.335 -0.271) 9.350 9.143 ( -5.158 -12.647 2.063) 13.813 9.928 ( -0.491 12.684 5.985) 14.034 10.153 ( 14.150 0.038 -0.860) 14.177 11.049 ( -0.960 12.690 -2.765) 13.023 14.687 ( -11.716 5.322 0.205) 12.869 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 7.169 -5.071 -2.996) 9.278 2.713 ( 6.245 -5.020 0.099) 8.013 3.488 ( -1.726 -1.416 8.185) 8.484 4.620 ( -2.029 -1.140 -2.783) 3.628 5.229 ( 25.450 -17.284 -0.759) 30.774 7.279 ( 3.465 -12.972 -0.430) 13.434 8.680 ( -7.889 -9.793 -0.684) 12.594 9.033 ( 3.850 -12.870 -0.920) 13.465 10.076 ( -2.643 16.729 11.695) 20.582 10.404 ( 16.067 -5.663 0.007) 17.036 11.123 ( -3.533 14.160 -6.585) 16.011 14.538 ( -12.995 7.606 2.425) 15.251 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 4.392 -6.416 -3.724) 8.621 2.769 ( 6.354 -7.391 -0.117) 9.748 3.497 ( 2.252 -1.066 7.291) 7.705 4.573 ( -2.734 1.269 -2.388) 3.846 5.368 ( 15.504 -27.028 -0.815) 31.170 7.239 ( 6.693 -11.797 -0.406) 13.570 8.524 ( -0.298 -5.120 0.068) 5.129 8.978 ( 5.067 -12.780 -1.187) 13.799 10.217 ( -5.014 16.449 13.194) 21.675 10.499 ( 4.031 -11.394 0.120) 12.086 11.189 ( -2.121 13.876 -10.026) 17.250 14.433 ( -10.155 9.781 4.405) 14.771 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 1.405 -9.645 -1.894) 9.929 2.794 ( 5.381 -5.357 -2.139) 7.888 3.593 ( 7.127 -0.721 6.490) 9.666 4.536 ( -3.299 2.969 -1.925) 4.838 5.224 ( 2.924 -31.446 -0.534) 31.586 7.267 ( 9.096 -10.411 -0.186) 13.826 8.586 ( 10.242 -1.349 1.477) 10.436 8.960 ( 6.979 -10.863 0.589) 12.925 10.252 ( -7.531 -1.911 8.775) 11.720 10.390 ( -8.147 6.020 0.152) 10.131 11.220 ( -4.210 7.554 -9.501) 12.848 14.419 ( -5.167 10.588 5.037) 12.813 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -0.000 -2.501 0.371) 2.529 2.661 ( -0.000 -3.805 -0.962) 3.924 3.547 ( -0.000 0.105 9.830) 9.831 4.386 ( -0.000 -9.575 0.394) 9.583 4.742 ( 0.000 -1.956 -3.358) 3.887 7.304 ( -0.000 -11.539 1.296) 11.611 8.746 ( -0.000 -5.977 2.911) 6.648 9.359 ( -0.000 -16.513 2.500) 16.701 9.915 ( 0.000 14.063 4.349) 14.720 9.916 ( 0.000 -2.216 -2.652) 3.456 11.057 ( 0.000 16.883 -2.170) 17.022 14.901 ( 0.000 4.477 -1.287) 4.658 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 5.510 -3.684 0.023) 6.628 2.620 ( 0.859 -5.080 -2.062) 5.550 3.552 ( -1.333 -2.704 9.114) 9.600 4.402 ( 13.656 -13.112 0.596) 18.941 4.718 ( 0.637 -1.519 -2.708) 3.170 7.177 ( 1.804 -17.738 0.017) 17.830 8.724 ( 4.491 -9.932 1.307) 10.978 9.132 ( -7.162 -15.294 0.129) 16.889 9.950 ( 6.779 0.110 -2.729) 7.308 10.108 ( 1.106 16.398 12.505) 20.652 11.212 ( -1.262 18.245 -5.123) 18.992 14.893 ( -6.136 5.697 -0.401) 8.382 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 8.186 -5.522 -0.901) 9.915 2.584 ( 2.644 -6.471 -2.811) 7.534 3.510 ( -1.562 -5.222 7.211) 9.039 4.529 ( 13.382 -12.681 1.270) 18.480 4.741 ( 8.174 -6.034 -2.427) 10.446 7.030 ( 4.746 -22.477 -0.783) 22.986 8.668 ( 0.341 -11.522 -1.305) 11.601 8.879 ( -4.467 -12.834 -0.166) 13.590 10.114 ( 12.407 -0.849 -1.459) 12.521 10.327 ( -0.936 17.634 17.290) 24.714 11.329 ( -3.933 18.832 -8.880) 21.189 14.816 ( -10.089 7.173 1.561) 12.477 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 6.193 -7.469 -2.431) 10.002 2.576 ( 6.059 -8.221 -2.462) 10.505 3.462 ( 0.806 -5.727 5.545) 8.012 4.583 ( 3.313 -4.623 1.631) 5.917 4.832 ( 15.530 -19.614 -2.111) 25.107 6.920 ( 9.885 -23.562 -0.762) 25.563 8.529 ( -4.032 -5.612 -0.554) 6.932 8.748 ( 3.666 -13.877 -0.962) 14.385 10.279 ( 9.172 -6.420 0.462) 11.205 10.514 ( -3.597 17.924 17.670) 25.425 11.397 ( -6.066 19.236 -13.032) 24.013 14.720 ( -10.876 8.662 4.127) 14.503 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 3.413 -9.291 -2.029) 10.104 2.603 ( 7.718 -8.647 -3.099) 11.998 3.479 ( 5.517 -4.606 4.747) 8.614 4.582 ( 0.602 -3.290 1.646) 3.727 4.817 ( 8.954 -24.782 -1.572) 26.396 6.911 ( 14.894 -20.973 -0.508) 25.729 8.476 ( 2.279 -1.578 1.382) 3.098 8.709 ( 7.284 -12.577 0.165) 14.535 10.263 ( -1.417 -9.936 1.546) 10.155 10.661 ( -5.592 16.894 14.421) 22.905 11.412 ( -8.328 16.590 -15.703) 24.314 14.657 ( -8.711 9.504 6.220) 14.314 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.000 -4.429 -0.026) 4.429 2.547 ( -0.000 -6.883 -3.137) 7.564 3.544 ( -0.000 -6.550 7.244) 9.766 4.140 ( -0.000 -15.710 0.396) 15.715 4.698 ( -0.000 -1.171 -0.306) 1.211 6.947 ( -0.000 -25.536 -0.864) 25.551 8.580 ( -0.000 -12.251 1.306) 12.321 9.051 ( -0.000 -12.891 -2.298) 13.094 9.888 ( 0.000 1.034 -1.173) 1.564 10.324 ( -0.000 19.329 17.738) 26.234 11.398 ( 0.000 20.769 -8.235) 22.342 15.002 ( 0.000 6.185 -0.308) 6.193 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 4.726 -5.831 -0.548) 7.526 2.467 ( 1.161 -8.783 -4.208) 9.808 3.472 ( -0.580 -10.007 4.484) 10.981 4.090 ( 13.112 -18.960 0.439) 23.056 4.690 ( -0.007 -0.919 1.547) 1.799 6.686 ( 3.491 -32.144 -1.408) 32.364 8.480 ( 3.242 -14.787 -0.555) 15.148 8.888 ( -5.709 -7.482 -2.256) 9.678 9.958 ( 6.043 2.110 -0.360) 6.410 10.575 ( -0.152 18.654 21.898) 28.767 11.557 ( -2.644 22.143 -11.770) 25.215 15.020 ( -5.208 6.817 0.919) 8.628 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 6.757 -8.024 -1.169) 10.555 2.397 ( 3.446 -10.293 -4.890) 11.905 3.377 ( 1.131 -11.185 2.515) 11.520 4.170 ( 18.638 -23.036 0.453) 29.635 4.687 ( -0.029 -0.941 2.362) 2.543 6.457 ( 9.829 -35.065 -1.313) 36.440 8.394 ( 4.657 -15.403 -2.173) 16.238 8.725 ( -7.163 -1.588 -0.502) 7.354 10.098 ( 7.853 0.008 0.323) 7.860 10.794 ( -2.253 15.961 22.703) 27.843 11.667 ( -5.908 23.317 -15.381) 28.551 14.977 ( -8.373 7.539 3.270) 11.732 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 5.537 -10.075 -1.348) 11.575 2.364 ( 7.013 -10.963 -4.670) 13.827 3.331 ( 5.199 -9.749 1.789) 11.193 4.223 ( 15.752 -27.603 0.349) 31.783 4.687 ( -0.136 -0.174 2.643) 2.652 6.357 ( 18.509 -32.714 -0.976) 37.599 8.336 ( 6.635 -13.881 -1.807) 15.491 8.628 ( -4.568 2.244 1.820) 5.405 10.178 ( 2.699 -4.002 0.485) 4.852 10.951 ( -3.883 13.698 20.511) 24.968 11.710 ( -9.934 22.726 -18.718) 31.073 14.917 ( -9.068 8.073 6.077) 13.577 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -0.000 -6.784 -0.918) 6.846 2.344 ( -0.000 -11.424 -5.435) 12.651 3.364 ( -0.000 -14.323 1.553) 14.407 3.781 ( -0.000 -20.881 0.222) 20.882 4.690 ( -0.000 -1.126 4.013) 4.168 6.291 ( -0.000 -40.227 -1.806) 40.268 8.300 ( -0.000 -15.816 -0.691) 15.831 8.880 ( 0.000 -1.939 -3.648) 4.131 9.944 ( 0.000 4.515 0.646) 4.561 10.822 ( -0.000 16.317 25.259) 30.071 11.772 ( 0.000 24.919 -14.198) 28.680 15.131 ( 0.000 6.497 1.120) 6.592 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 3.853 -8.890 -1.545) 9.811 2.218 ( 2.091 -13.420 -6.412) 15.020 3.221 ( 1.448 -16.406 -0.220) 16.471 3.674 ( 11.810 -23.335 0.091) 26.153 4.690 ( -0.039 -1.481 4.901) 5.120 5.917 ( 6.510 -44.617 -1.782) 45.124 8.164 ( 2.765 -16.042 -1.592) 16.356 8.840 ( -4.565 4.143 -2.514) 6.658 10.026 ( 3.449 4.436 1.005) 5.708 11.030 ( -0.907 11.501 24.830) 27.380 11.953 ( -3.842 27.425 -15.461) 31.717 15.161 ( -4.155 6.293 2.548) 7.960 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 6.055 -13.743 -2.925) 15.300 2.138 ( 5.286 -11.774 -4.932) 13.817 3.118 ( 5.526 -15.398 -0.767) 16.377 3.679 ( 15.982 -26.309 0.024) 30.783 4.694 ( 0.343 -1.054 4.893) 5.017 5.669 ( 17.026 -43.526 -1.556) 46.764 8.076 ( 5.570 -14.976 -1.780) 16.077 8.798 ( -7.210 8.505 -0.104) 11.150 10.121 ( 2.644 1.879 0.784) 3.337 11.167 ( -1.693 7.468 20.943) 22.299 12.070 ( -9.205 27.849 -16.224) 33.519 15.140 ( -6.578 6.266 5.061) 10.400 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -0.000 -10.440 -2.314) 10.693 2.025 ( -0.000 -17.037 -8.071) 18.852 3.023 ( -0.000 -20.002 -1.519) 20.060 3.342 ( -0.000 -23.474 0.039) 23.474 4.684 ( -0.000 -3.170 5.634) 6.464 5.384 ( -0.000 -49.842 -2.121) 49.887 7.983 ( -0.000 -15.218 -1.441) 15.286 8.937 ( 0.000 9.398 -2.811) 9.809 10.059 ( 0.000 6.294 1.365) 6.441 11.194 ( -0.000 5.436 22.979) 23.613 12.230 ( 0.000 30.702 -13.179) 33.411 15.258 ( 0.000 4.996 2.635) 5.648 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 2.306 -18.573 -6.998) 19.981 1.909 ( 5.429 -13.469 -4.151) 15.103 2.848 ( 4.416 -20.688 -1.750) 21.226 3.204 ( 10.069 -23.803 0.062) 25.845 4.666 ( 2.263 -7.497 6.252) 10.021 4.971 ( 9.112 -46.375 -3.032) 47.359 7.859 ( 2.715 -13.725 -1.434) 14.065 9.007 ( -4.462 13.461 -1.315) 14.242 10.133 ( 0.716 5.464 1.209) 5.642 11.280 ( -0.211 0.628 18.275) 18.287 12.452 ( -6.018 31.204 -10.958) 33.615 15.285 ( -2.868 4.039 3.931) 6.324 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 -22.227 -10.217) 24.463 1.689 ( -0.000 -17.234 -3.940) 17.679 2.576 ( -0.000 -24.731 -1.338) 24.767 2.898 ( -0.000 -20.765 0.081) 20.766 4.277 ( -0.000 -52.900 2.239) 52.947 4.715 ( -0.000 -4.509 0.303) 4.519 7.707 ( -0.000 -11.947 -1.115) 11.999 9.194 ( 0.000 17.397 -0.621) 17.409 10.194 ( 0.000 6.424 1.178) 6.531 11.307 ( -0.000 -5.002 14.629) 15.460 12.793 ( 0.000 31.847 -6.749) 32.555 15.346 ( -0.000 1.836 3.472) 3.927 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 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 25.651) 25.651 0.476 ( -0.000 -0.000 25.651) 25.651 1.005 ( -0.000 -0.000 54.778) 54.778 2.294 ( 0.000 0.000 -3.475) 3.475 2.294 ( 0.000 0.000 -3.475) 3.475 5.629 ( 0.000 0.000 -11.571) 11.571 7.374 ( -0.000 -0.000 1.693) 1.693 7.374 ( -0.000 -0.000 1.693) 1.693 10.415 ( 0.000 0.000 -1.135) 1.135 10.415 ( 0.000 0.000 -1.135) 1.135 14.001 ( -0.000 -0.000 1.124) 1.124 14.964 ( 0.000 0.000 -0.388) 0.388 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 19.897 11.487 15.039) 27.459 0.973 ( 15.314 8.841 27.026) 32.297 1.517 ( 30.938 17.862 32.208) 48.099 2.336 ( 4.986 2.878 -3.999) 7.009 2.528 ( 21.329 12.315 -3.871) 24.931 4.844 ( -17.328 -10.004 8.510) 21.743 7.417 ( 3.191 1.842 1.883) 4.137 9.348 ( 62.850 36.287 -59.691) 93.967 10.306 ( -1.464 -0.845 -9.191) 9.345 10.386 ( -2.322 -1.340 -1.155) 2.919 13.934 ( -9.906 -5.719 6.316) 13.066 15.008 ( 4.568 2.637 -12.408) 13.482 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 19.962 11.525 8.363) 24.520 1.346 ( 12.541 7.240 23.922) 27.964 2.238 ( 23.876 13.785 14.992) 31.382 2.507 ( 11.603 6.699 -3.882) 13.949 3.268 ( 42.986 24.818 -0.390) 49.637 4.655 ( -3.672 -2.120 -2.952) 5.166 7.529 ( 6.263 3.616 1.755) 7.442 9.564 ( -14.516 -8.381 -3.602) 17.144 10.308 ( -4.095 -2.364 -1.076) 4.849 10.624 ( 24.847 14.346 -34.937) 45.208 13.612 ( -19.795 -11.429 14.633) 27.141 15.050 ( 2.476 1.429 -18.421) 18.642 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 13.819 7.978 4.533) 16.588 1.707 ( 14.140 8.164 15.680) 22.638 2.731 ( 17.477 10.090 8.905) 22.058 2.843 ( 18.624 10.752 -2.718) 21.676 4.298 ( 42.598 24.594 -3.091) 49.285 4.626 ( 5.198 3.001 -3.772) 7.089 7.709 ( 9.227 5.327 1.249) 10.727 9.159 ( -18.214 -10.516 -0.937) 21.053 10.202 ( -4.812 -2.778 -0.809) 5.616 10.947 ( 11.528 6.656 -25.090) 28.403 13.174 ( -23.022 -13.292 19.561) 33.004 14.998 ( -1.963 -1.133 -18.463) 18.601 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 8.929 5.155 1.980) 10.499 2.078 ( 15.069 8.700 9.848) 19.993 3.091 ( 12.628 7.291 4.305) 15.204 3.297 ( 21.115 12.191 -1.472) 24.426 4.572 ( 3.264 1.884 -10.200) 10.874 5.397 ( 42.234 24.384 2.681) 48.841 7.950 ( 11.639 6.720 0.384) 13.445 8.792 ( -12.872 -7.432 -2.459) 15.065 10.094 ( -4.439 -2.563 -0.264) 5.132 11.008 ( 0.479 0.276 -20.287) 20.295 12.698 ( -24.601 -14.204 20.924) 35.281 14.868 ( -4.418 -2.550 -15.319) 16.146 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 6.304 3.640 0.631) 7.306 2.435 ( 13.982 8.072 6.928) 17.569 3.332 ( 8.690 5.017 -1.992) 10.230 3.752 ( 18.880 10.900 -0.834) 21.816 4.621 ( 2.934 1.694 -5.728) 6.655 6.262 ( 32.834 18.957 1.167) 37.932 8.228 ( 12.741 7.356 -0.768) 14.732 8.603 ( -2.262 -1.306 -3.478) 4.349 10.006 ( -3.338 -1.927 0.611) 3.902 10.876 ( -6.363 -3.674 -17.161) 18.668 12.183 ( -26.116 -15.078 17.408) 34.820 14.728 ( -4.300 -2.483 -9.714) 10.909 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.473 2.583 -0.022) 5.166 2.733 ( 10.337 5.968 5.360) 13.084 3.494 ( 7.564 4.367 -8.371) 12.098 4.127 ( 14.263 8.235 -0.554) 16.479 4.649 ( 0.006 0.003 -0.062) 0.062 6.870 ( 21.069 12.164 -0.324) 24.331 8.506 ( 11.892 6.866 -2.017) 13.879 8.685 ( 9.946 5.743 -3.206) 11.924 9.948 ( -2.176 -1.257 1.711) 3.040 10.647 ( -9.448 -5.455 -12.755) 16.784 11.635 ( -25.509 -14.728 10.799) 31.373 14.625 ( -2.917 -1.684 -3.775) 5.059 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 2.762 1.594 -0.322) 3.205 2.920 ( 4.951 2.858 2.610) 6.285 3.640 ( 8.161 4.712 -11.845) 15.136 4.387 ( 8.753 5.054 -0.404) 10.115 4.617 ( -3.285 -1.897 4.897) 6.194 7.246 ( 13.195 7.618 -1.574) 15.318 8.738 ( 9.033 5.215 -2.923) 10.832 8.980 ( 15.405 8.894 -2.111) 17.913 9.913 ( -1.599 -0.923 2.628) 3.212 10.376 ( -12.165 -7.023 -6.446) 15.455 11.145 ( -18.299 -10.565 3.684) 21.448 14.573 ( -1.336 -0.771 0.694) 1.691 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 1.000 0.577 -0.420) 1.228 2.973 ( -0.248 -0.143 -1.636) 1.661 3.786 ( 7.487 4.322 -11.571) 14.443 4.519 ( 3.021 1.744 -0.287) 3.501 4.549 ( -3.930 -2.269 8.052) 9.242 7.463 ( 6.031 3.482 -1.716) 7.172 8.885 ( 4.533 2.617 -2.881) 5.975 9.316 ( 13.550 7.823 -0.294) 15.649 9.886 ( -1.613 -0.931 2.730) 3.305 10.064 ( -12.934 -7.468 -2.140) 15.088 10.879 ( -5.504 -3.178 -0.932) 6.424 14.568 ( 0.393 0.227 3.569) 3.598 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -0.812 -0.469 -0.379) 1.012 2.910 ( -4.213 -2.432 -4.637) 6.720 3.879 ( 2.607 1.505 -8.400) 8.923 4.516 ( -0.535 -0.309 7.711) 7.735 4.522 ( -2.724 -1.572 -0.167) 3.149 7.489 ( -3.617 -2.088 -0.440) 4.200 8.917 ( -1.344 -0.776 -1.611) 2.236 9.443 ( -7.292 -4.210 6.795) 10.819 9.859 ( -1.180 -0.681 1.662) 2.149 9.965 ( 10.317 5.956 -8.367) 14.557 10.863 ( 3.581 2.068 -1.263) 4.324 14.615 ( 2.580 1.490 5.540) 6.291 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -2.645 -1.527 -0.217) 3.062 2.766 ( -7.111 -4.106 -5.134) 9.684 3.832 ( -5.061 -2.922 -3.230) 6.677 4.395 ( -8.409 -4.855 -0.022) 9.710 4.577 ( 3.873 2.236 3.857) 5.905 7.303 ( -12.817 -7.400 1.153) 14.844 8.811 ( -7.720 -4.457 0.172) 8.916 9.176 ( -14.755 -8.519 7.750) 18.718 9.852 ( 0.503 0.291 0.046) 0.583 10.346 ( 22.681 13.095 -11.052) 28.427 10.998 ( 7.920 4.573 -0.541) 9.161 14.721 ( 5.165 2.982 6.987) 9.186 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -4.520 -2.610 0.087) 5.220 2.561 ( -9.848 -5.686 -3.451) 11.884 3.648 ( -10.371 -5.987 -0.226) 11.977 4.143 ( -13.799 -7.967 0.176) 15.935 4.679 ( 3.750 2.165 1.029) 4.450 6.909 ( -22.823 -13.177 1.588) 26.402 8.581 ( -12.429 -7.176 1.290) 14.410 8.900 ( -10.393 -6.001 7.201) 13.996 9.886 ( 2.635 1.521 -1.016) 3.207 10.867 ( 26.214 15.135 -15.254) 33.895 11.191 ( 8.574 4.950 2.887) 10.313 14.887 ( 7.351 4.244 7.475) 11.310 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -6.643 -3.835 0.631) 7.697 2.297 ( -13.067 -7.544 -0.102) 15.089 3.371 ( -14.158 -8.174 0.505) 16.356 3.780 ( -18.220 -10.519 0.411) 21.043 4.735 ( 1.036 0.598 -0.615) 1.345 6.262 ( -34.793 -20.088 1.229) 40.194 8.279 ( -14.152 -8.171 1.533) 16.413 8.793 ( -0.384 -0.222 5.600) 5.618 9.963 ( 4.387 2.533 -1.341) 5.240 11.285 ( 10.852 6.265 -21.643) 25.009 11.522 ( 23.315 13.461 10.094) 28.752 15.084 ( 7.884 4.552 6.151) 10.987 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -9.691 -5.595 1.704) 11.320 1.968 ( -16.549 -9.555 4.405) 19.610 3.013 ( -17.610 -10.167 0.541) 20.341 3.340 ( -20.276 -11.707 0.486) 23.418 4.722 ( -1.786 -1.031 -2.743) 3.432 5.368 ( -43.655 -25.204 1.458) 50.430 7.971 ( -13.134 -7.583 1.335) 15.224 8.910 ( 9.032 5.215 3.142) 10.892 10.071 ( 5.449 3.146 -1.300) 6.425 11.368 ( 2.341 1.351 -13.995) 14.254 12.142 ( 28.013 16.173 4.818) 32.703 15.259 ( 5.905 3.409 2.521) 7.269 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 23.282 17.742) 29.271 1.044 ( 0.000 26.644 19.647) 33.105 1.568 ( -0.000 25.228 38.998) 46.447 2.331 ( 0.000 6.302 -4.428) 7.702 2.503 ( 0.000 24.051 -4.505) 24.469 4.866 ( -0.000 -21.752 6.065) 22.582 7.421 ( 0.000 3.716 2.004) 4.222 9.130 ( 0.000 72.632 -52.793) 89.792 10.334 ( 0.000 0.613 -8.410) 8.432 10.375 ( -0.000 -3.071 -1.486) 3.412 13.946 ( -0.000 -11.073 5.784) 12.492 14.979 ( 0.000 4.352 -10.673) 11.526 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 6.558 22.607 12.601) 26.699 1.387 ( 5.237 15.545 24.052) 29.113 2.099 ( 17.050 21.403 20.658) 34.286 2.445 ( 5.502 11.168 -4.406) 13.206 2.994 ( 23.310 37.410 -1.646) 44.108 4.681 ( -3.931 -6.315 -2.204) 7.758 7.500 ( 3.153 5.609 2.093) 6.766 9.554 ( 4.197 -1.001 -13.024) 13.720 10.299 ( -0.834 -1.053 -5.877) 6.028 10.437 ( 7.628 20.536 -26.171) 34.130 13.743 ( -8.953 -19.284 12.239) 24.532 15.002 ( 0.900 5.472 -16.818) 17.708 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 8.701 14.208 10.590) 19.741 1.699 ( 7.089 14.661 16.353) 23.078 2.591 ( 15.510 13.816 11.211) 23.603 2.723 ( 11.970 17.849 -3.139) 21.719 3.906 ( 36.122 37.983 -0.810) 52.423 4.600 ( -0.267 0.836 -6.285) 6.346 7.649 ( 5.993 7.599 1.945) 9.871 9.310 ( -13.562 -15.034 -0.503) 20.254 10.231 ( -2.384 -3.925 -1.495) 4.830 10.745 ( 12.429 13.987 -28.359) 33.976 13.380 ( -14.585 -21.688 17.619) 31.521 14.983 ( -2.068 3.046 -18.790) 19.147 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 7.325 10.169 4.719) 13.392 2.008 ( 9.057 12.439 12.302) 19.701 2.969 ( 12.510 9.096 6.210) 16.668 3.158 ( 15.685 22.331 -1.407) 27.325 4.498 ( 5.038 4.097 -12.233) 13.850 5.013 ( 35.394 32.328 3.566) 48.068 7.862 ( 8.480 9.550 1.491) 12.858 8.924 ( -14.097 -12.058 -1.329) 18.598 10.144 ( -3.646 -2.173 -0.860) 4.331 10.896 ( 5.369 1.656 -22.168) 22.869 12.949 ( -17.864 -21.529 19.926) 34.347 14.883 ( -4.769 0.164 -16.812) 17.476 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 4.603 8.451 1.608) 9.757 2.329 ( 11.437 10.394 9.083) 17.926 3.227 ( 8.812 4.935 0.363) 10.107 3.641 ( 14.461 23.054 -0.819) 27.226 4.563 ( 3.871 3.132 -8.123) 9.528 5.925 ( 33.424 27.276 1.938) 43.184 8.125 ( 9.963 10.935 0.722) 14.811 8.636 ( -7.148 -6.580 -2.538) 10.042 10.066 ( -4.059 0.194 -0.309) 4.075 10.843 ( -1.435 -5.177 -18.529) 19.292 12.470 ( -21.202 -20.543 17.759) 34.452 14.744 ( -4.720 -2.099 -11.759) 12.843 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 2.634 7.608 0.491) 8.066 2.634 ( 10.766 7.511 6.722) 14.748 3.383 ( 6.915 2.973 -6.362) 9.855 4.070 ( 10.229 21.321 -0.796) 23.662 4.634 ( 2.493 2.280 -2.133) 3.995 6.643 ( 23.505 18.972 0.721) 30.215 8.401 ( 9.711 10.237 -0.280) 14.114 8.578 ( 5.223 1.206 -2.802) 6.049 10.009 ( -3.984 1.913 0.464) 4.444 10.666 ( -5.288 -7.577 -14.765) 17.418 11.939 ( -23.991 -18.135 12.048) 32.397 14.626 ( -2.546 -3.765 -5.517) 7.148 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 0.838 6.908 -0.058) 6.959 2.859 ( 6.894 3.580 4.133) 8.799 3.507 ( 7.731 3.211 -11.032) 13.849 4.388 ( 4.947 17.424 -0.652) 18.124 4.663 ( -1.366 1.441 3.115) 3.695 7.106 ( 14.128 12.000 -0.604) 18.547 8.645 ( 9.238 7.686 -1.163) 12.073 8.796 ( 14.050 7.636 -2.297) 16.155 9.965 ( -3.842 1.541 1.441) 4.383 10.444 ( -7.508 -7.892 -9.567) 14.497 11.408 ( -22.608 -12.354 5.569) 26.359 14.554 ( 0.053 -4.724 -0.367) 4.739 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -0.989 6.067 -0.331) 6.156 2.955 ( 1.823 -0.053 -0.195) 1.834 3.647 ( 8.746 3.498 -11.859) 15.145 4.555 ( 0.054 5.155 2.930) 5.929 4.659 ( -4.911 9.358 3.430) 11.111 7.384 ( 8.323 7.011 -1.518) 10.988 8.840 ( 5.416 6.549 -1.703) 8.668 9.138 ( 16.981 8.091 -1.820) 18.898 9.900 ( -4.967 -2.919 2.949) 6.472 10.198 ( -9.696 -6.869 -4.095) 12.568 11.023 ( -13.964 -2.543 0.089) 14.194 14.532 ( 2.337 -4.721 2.970) 6.047 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -2.814 4.968 -0.414) 5.724 2.930 ( -2.359 -2.220 -3.868) 5.046 3.780 ( 6.969 1.847 -10.475) 12.716 4.548 ( -1.621 -2.296 8.208) 8.676 4.683 ( -8.533 14.013 -0.124) 16.407 7.504 ( 0.969 1.434 -1.261) 2.142 8.934 ( 0.117 3.603 -1.335) 3.844 9.498 ( 14.348 10.237 -1.116) 17.661 9.696 ( -8.901 -15.050 3.875) 17.909 10.046 ( -3.725 3.174 -2.614) 5.548 10.887 ( -3.610 4.119 -1.982) 5.825 14.560 ( 4.513 -3.683 4.986) 7.667 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -4.541 3.616 -0.332) 5.814 2.821 ( -5.504 -3.319 -4.996) 8.140 3.826 ( 0.991 -1.973 -7.087) 7.423 4.548 ( 0.378 -0.600 6.210) 6.250 4.621 ( -12.455 10.857 0.080) 16.523 7.429 ( -8.112 -3.795 0.146) 8.957 8.899 ( -5.747 -0.913 -0.067) 5.819 9.353 ( -14.390 -11.605 6.204) 19.500 9.812 ( 8.743 4.387 -0.387) 9.790 10.132 ( 10.461 10.577 -7.898) 16.843 10.937 ( 3.989 5.187 -1.323) 6.676 14.646 ( 6.849 -1.861 6.187) 9.415 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -6.150 2.140 -0.073) 6.512 2.654 ( -8.175 -4.109 -3.819) 9.914 3.729 ( -5.960 -5.296 -2.894) 8.482 4.412 ( -18.237 5.560 -0.032) 19.066 4.636 ( 3.372 1.823 2.603) 4.634 7.157 ( -17.717 -8.011 1.249) 19.484 8.728 ( -10.957 -4.616 1.131) 11.943 9.030 ( -11.933 -10.886 6.077) 17.258 9.908 ( -0.656 6.465 0.160) 6.500 10.531 ( 23.498 12.736 -13.859) 30.107 11.093 ( 8.541 4.145 1.772) 9.658 14.792 ( 8.986 0.104 6.436) 11.054 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -7.810 0.661 0.395) 7.848 2.440 ( -11.094 -5.042 -0.896) 12.219 3.517 ( -11.260 -6.802 -0.534) 13.166 4.094 ( -23.294 1.936 0.076) 23.374 4.708 ( 2.613 0.608 -0.221) 2.691 6.659 ( -29.921 -12.866 1.355) 32.598 8.460 ( -14.538 -5.864 1.533) 15.751 8.816 ( -4.023 -6.523 5.294) 9.315 9.962 ( 0.023 6.517 -0.763) 6.562 11.004 ( 21.895 10.613 -24.028) 34.196 11.335 ( 14.656 5.029 12.385) 19.836 14.981 ( 9.921 1.309 5.088) 11.227 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -10.235 -1.388 1.186) 10.397 2.174 ( -14.300 -5.519 3.299) 15.679 3.218 ( -15.780 -7.191 0.524) 17.350 3.673 ( -26.145 -1.448 0.245) 26.186 4.725 ( -0.189 -0.398 -2.693) 2.729 5.903 ( -42.070 -16.603 1.329) 45.248 8.150 ( -15.206 -5.830 1.559) 16.360 8.813 ( 6.084 -0.738 3.379) 6.999 10.036 ( 2.357 5.148 -1.152) 5.778 11.246 ( 8.700 3.252 -21.555) 23.471 11.823 ( 27.050 10.342 12.103) 31.387 15.166 ( 8.663 1.086 1.643) 8.884 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 19.871 11.672) 23.045 1.585 ( -0.000 17.307 21.794) 27.830 2.243 ( 0.000 23.095 18.389) 29.522 2.505 ( 0.000 14.711 -4.449) 15.370 3.224 ( 0.000 49.126 -0.745) 49.132 4.643 ( 0.000 -4.742 -4.716) 6.687 7.546 ( 0.000 7.803 2.093) 8.079 9.467 ( 0.000 -5.497 -6.403) 8.439 10.281 ( -0.000 -5.350 -1.626) 5.592 10.498 ( 0.000 22.869 -30.687) 38.271 13.634 ( -0.000 -25.261 13.514) 28.649 15.010 ( 0.000 7.031 -17.252) 18.630 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 3.185 14.953 9.369) 17.931 1.828 ( 2.271 15.607 18.114) 24.018 2.576 ( 8.191 18.021 11.864) 23.078 2.734 ( 8.177 20.627 -3.198) 22.418 3.872 ( 16.963 48.082 -0.932) 50.995 4.598 ( -0.132 2.256 -6.803) 7.168 7.664 ( 3.042 9.845 2.136) 10.524 9.317 ( -5.567 -15.290 0.347) 16.275 10.207 ( -1.020 -4.917 -1.935) 5.382 10.655 ( 5.472 14.916 -28.410) 32.551 13.360 ( -6.185 -27.769 16.502) 32.889 15.008 ( -1.957 5.568 -17.891) 18.839 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 4.808 11.360 6.237) 13.822 2.072 ( 3.896 13.774 13.527) 19.695 2.905 ( 9.069 12.299 6.832) 16.739 3.150 ( 13.831 25.866 -1.349) 29.363 4.423 ( 6.338 9.837 -11.870) 16.668 4.886 ( 20.964 37.483 2.643) 43.028 7.853 ( 5.797 11.966 2.261) 13.487 9.013 ( -11.589 -14.199 -0.184) 18.328 10.151 ( -0.454 -3.218 -1.249) 3.482 10.757 ( 4.833 2.731 -23.295) 23.948 13.001 ( -10.144 -27.582 18.439) 34.694 14.933 ( -5.299 2.564 -16.595) 17.609 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 4.561 10.318 2.889) 11.645 2.317 ( 6.261 11.529 10.838) 17.017 3.148 ( 7.026 6.562 1.206) 9.690 3.659 ( 14.282 28.138 -0.654) 31.562 4.511 ( 3.567 4.949 -9.191) 11.031 5.711 ( 27.685 35.582 2.177) 45.136 8.103 ( 7.669 13.775 2.250) 15.926 8.698 ( -10.112 -9.423 -1.691) 13.925 10.119 ( -1.307 0.350 -1.055) 1.716 10.727 ( 1.394 -6.002 -19.208) 20.172 12.591 ( -13.676 -26.081 17.424) 34.218 14.790 ( -6.836 -0.767 -13.052) 14.753 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 2.538 10.347 1.291) 10.732 2.572 ( 8.284 8.483 8.468) 14.570 3.288 ( 5.393 2.844 -5.020) 7.898 4.144 ( 10.333 27.189 -1.273) 29.115 4.609 ( 3.778 5.756 -2.857) 7.454 6.462 ( 23.538 25.949 1.257) 35.057 8.374 ( 6.769 11.847 1.887) 13.774 8.529 ( -0.501 -0.922 -2.221) 2.457 10.101 ( -2.955 3.635 -1.397) 4.889 10.593 ( -1.386 -9.223 -15.165) 17.803 12.132 ( -17.422 -22.847 13.090) 31.573 14.627 ( -5.223 -4.163 -7.898) 10.344 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 0.322 10.388 0.563) 10.408 2.793 ( 7.060 4.418 5.774) 10.134 3.382 ( 6.193 2.103 -9.554) 11.578 4.489 ( 4.221 15.830 -1.302) 16.435 4.741 ( 1.307 14.039 2.251) 14.278 6.999 ( 14.973 16.575 0.436) 22.341 8.526 ( 9.154 1.990 -0.211) 9.370 8.707 ( 8.009 13.116 -0.403) 15.373 10.067 ( -4.615 3.023 -2.434) 6.030 10.432 ( -3.521 -7.045 -9.289) 12.179 11.652 ( -19.234 -16.373 7.121) 26.244 14.497 ( -1.495 -7.072 -2.735) 7.728 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -1.896 10.084 0.095) 10.261 2.915 ( 3.182 0.292 1.528) 3.542 3.497 ( 8.246 2.645 -10.654) 13.730 4.590 ( -0.117 0.555 3.776) 3.818 4.929 ( -4.429 25.314 0.828) 25.712 7.319 ( 8.516 9.585 -0.396) 12.828 8.762 ( 12.847 4.408 0.626) 13.597 8.961 ( 9.242 9.258 -1.467) 13.164 9.991 ( -4.654 -0.443 -2.618) 5.358 10.267 ( -8.162 -3.843 -2.613) 9.392 11.249 ( -15.647 -5.713 1.285) 16.706 14.426 ( 2.555 -8.593 1.152) 9.038 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -4.111 9.138 -0.194) 10.022 2.925 ( -0.519 -1.799 -2.457) 3.089 3.634 ( 8.335 1.791 -10.000) 13.140 4.572 ( -1.587 -3.096 7.142) 7.944 5.051 ( -10.956 25.398 -0.290) 27.662 7.486 ( 3.583 3.713 -0.848) 5.229 8.967 ( 2.865 6.440 1.005) 7.119 9.210 ( 16.437 -1.858 -2.329) 16.705 9.874 ( -9.515 0.201 0.382) 9.525 10.101 ( -5.653 0.327 -0.091) 5.663 11.033 ( -8.880 3.283 -2.421) 9.772 14.423 ( 5.978 -8.268 3.551) 10.803 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -6.043 7.367 -0.253) 9.532 2.858 ( -3.702 -2.034 -4.082) 5.874 3.731 ( 5.242 -0.881 -8.713) 10.207 4.545 ( -0.156 -2.858 7.536) 8.062 5.046 ( -16.980 22.187 -0.458) 27.942 7.500 ( -3.184 -1.347 -0.417) 3.482 8.982 ( -4.381 -0.481 1.267) 4.586 9.345 ( 3.314 -14.288 0.629) 14.681 9.801 ( 0.278 13.356 -1.203) 13.412 10.108 ( 1.179 6.327 -0.468) 6.453 10.969 ( -2.717 4.625 -3.218) 6.255 14.489 ( 8.753 -6.425 4.723) 11.841 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -7.461 5.168 0.001) 9.077 2.739 ( -6.738 -1.772 -3.532) 7.811 3.725 ( -0.584 -3.958 -5.856) 7.092 4.564 ( 2.209 -1.103 4.651) 5.266 4.906 ( -21.865 16.885 -0.010) 27.626 7.349 ( -11.439 -4.454 0.474) 12.284 8.842 ( -7.508 -7.012 2.234) 10.513 9.126 ( -10.735 -10.926 2.677) 15.549 10.021 ( 1.733 14.609 -0.089) 14.712 10.269 ( 13.348 8.744 -7.581) 17.667 11.012 ( 4.602 2.525 -0.950) 5.335 14.620 ( 10.965 -4.002 4.694) 12.581 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -8.620 3.245 0.552) 9.227 2.574 ( -9.630 -2.077 -1.380) 9.947 3.604 ( -6.488 -5.302 -2.927) 8.876 4.545 ( -15.749 5.790 -0.393) 16.784 4.701 ( -7.715 4.506 1.753) 9.105 7.013 ( -22.388 -7.010 0.918) 23.477 8.634 ( -9.900 -6.278 2.330) 11.953 8.851 ( -9.591 -8.968 2.719) 13.409 10.095 ( -5.525 11.155 0.546) 12.460 10.656 ( 22.521 9.133 -16.928) 29.617 11.176 ( 11.608 1.951 6.898) 13.643 14.801 ( 12.159 -2.151 3.164) 12.747 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -10.262 1.631 0.998) 10.439 2.365 ( -12.287 -2.736 2.156) 12.772 3.393 ( -11.600 -4.840 -1.050) 12.613 4.172 ( -29.641 4.632 -0.101) 30.001 4.705 ( 1.186 -0.210 -1.534) 1.950 6.446 ( -35.497 -8.866 1.064) 36.603 8.375 ( -15.562 -3.842 1.942) 16.147 8.715 ( 2.056 -5.680 1.733) 6.285 10.101 ( -3.531 6.899 -0.456) 7.763 11.006 ( 16.051 5.124 -23.641) 29.031 11.524 ( 21.892 5.047 16.049) 27.609 14.993 ( 11.548 -1.684 -0.115) 11.671 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 11.715 6.042) 13.181 2.012 ( -0.000 14.182 17.754) 22.723 2.728 ( 0.000 18.539 9.622) 20.887 2.858 ( 0.000 22.900 -2.717) 23.061 4.195 ( 0.000 40.087 -4.428) 40.331 4.644 ( 0.000 16.133 -4.359) 16.712 7.750 ( 0.000 11.729 1.741) 11.857 9.222 ( -0.000 -14.437 1.846) 14.554 10.155 ( -0.000 -6.323 -1.383) 6.472 10.649 ( 0.000 9.118 -26.989) 28.487 13.172 ( -0.000 -30.476 16.878) 34.837 15.031 ( 0.000 5.466 -16.798) 17.665 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 3.096 9.219 4.069) 10.542 2.204 ( 1.266 12.606 14.802) 19.484 2.952 ( 3.489 14.500 5.544) 15.910 3.180 ( 10.557 25.180 -1.559) 27.348 4.417 ( 1.886 9.135 -11.515) 14.819 5.046 ( 9.487 45.946 2.284) 46.971 7.907 ( 3.385 13.458 1.688) 13.980 9.037 ( -6.608 -12.727 0.900) 14.368 10.098 ( 1.018 -4.983 -1.047) 5.193 10.645 ( 2.256 0.352 -23.030) 23.143 12.885 ( -4.162 -30.735 17.323) 35.525 14.996 ( -3.804 3.375 -15.200) 16.029 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 5.303 8.732 2.648) 10.553 2.391 ( 2.569 10.651 12.022) 16.265 3.135 ( 3.391 8.560 0.095) 9.208 3.667 ( 16.188 26.505 -0.910) 31.071 4.490 ( 2.528 6.961 -8.765) 11.475 5.723 ( 16.398 42.203 1.975) 45.320 8.136 ( 6.235 15.097 2.144) 16.474 8.780 ( -10.172 -8.601 -1.189) 13.374 10.097 ( 2.779 -1.459 -0.859) 3.254 10.579 ( 1.388 -7.065 -18.807) 20.138 12.542 ( -7.326 -29.718 16.342) 34.697 14.874 ( -7.514 0.362 -12.744) 14.798 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 5.347 9.512 1.596) 11.028 2.574 ( 4.353 7.990 9.946) 13.480 3.235 ( 2.623 3.877 -5.415) 7.158 4.192 ( 14.456 25.116 -1.908) 29.042 4.607 ( 4.490 9.295 -2.355) 10.588 6.391 ( 17.895 31.868 1.207) 36.568 8.403 ( 5.566 13.320 2.605) 14.669 8.568 ( -5.683 -0.752 -2.041) 6.085 10.143 ( 1.575 2.729 -2.533) 4.043 10.454 ( 0.777 -10.252 -13.904) 17.292 12.158 ( -10.183 -27.170 13.359) 31.944 14.685 ( -8.785 -3.138 -9.372) 13.223 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 2.876 10.724 1.082) 11.155 2.748 ( 5.453 4.373 7.347) 10.140 3.288 ( 3.557 1.905 -8.849) 9.725 4.528 ( 4.515 9.604 -1.818) 10.767 4.873 ( 8.027 23.697 2.123) 25.110 6.929 ( 14.358 20.522 0.677) 25.055 8.446 ( 0.915 1.077 -0.415) 1.473 8.731 ( 6.612 15.287 1.520) 16.725 10.122 ( -3.085 -3.028 -9.004) 9.988 10.387 ( 1.830 -0.674 -4.188) 4.620 11.758 ( -12.203 -21.613 8.790) 26.331 14.479 ( -6.499 -6.829 -5.437) 10.883 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -0.325 11.558 0.780) 11.589 2.868 ( 3.519 0.539 3.134) 4.743 3.361 ( 6.479 1.736 -9.166) 11.358 4.605 ( 0.040 0.820 2.488) 2.619 5.244 ( 1.806 30.289 0.778) 30.353 7.274 ( 8.528 10.537 0.311) 13.559 8.570 ( 10.789 3.416 0.573) 11.331 8.967 ( 4.339 11.571 1.066) 12.404 9.979 ( -2.174 -8.301 -9.206) 12.585 10.409 ( -4.816 7.504 0.836) 8.955 11.406 ( -11.183 -11.495 3.242) 16.362 14.316 ( -1.388 -9.833 -1.657) 10.067 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -3.673 11.295 0.204) 11.879 2.900 ( 0.899 -1.390 -0.680) 1.789 3.479 ( 8.230 1.142 -8.298) 11.743 4.588 ( -1.697 -2.788 5.277) 6.205 5.500 ( -7.611 31.237 -0.178) 32.151 7.449 ( 4.752 2.974 0.078) 5.606 8.843 ( 15.718 3.458 1.202) 16.138 9.082 ( -0.157 3.083 0.376) 3.110 9.864 ( 1.071 -7.929 -6.697) 10.434 10.353 ( -12.037 10.953 4.060) 16.773 11.192 ( -7.922 -0.458 -1.953) 8.172 14.239 ( 4.516 -10.889 1.223) 11.852 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -6.362 7.870 -0.410) 10.129 2.885 ( -1.651 0.655 -2.085) 2.739 3.592 ( 7.102 -0.539 -8.018) 10.725 4.544 ( -1.180 -3.885 6.567) 7.721 5.588 ( -16.531 28.599 -0.505) 33.037 7.503 ( 1.165 -2.022 0.021) 2.333 9.019 ( -1.979 -9.487 0.262) 9.694 9.130 ( 9.937 4.173 2.070) 10.975 9.817 ( 3.328 -4.146 -5.854) 7.908 10.313 ( -9.319 17.250 5.455) 20.351 11.078 ( -6.556 2.429 -4.449) 8.287 14.263 ( 9.322 -9.562 2.708) 13.625 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( -7.268 3.941 -0.107) 8.269 2.837 ( -5.657 2.930 -2.214) 6.745 3.646 ( 3.511 -2.512 -7.119) 8.326 4.528 ( 1.304 -2.950 5.860) 6.689 5.493 ( -23.758 22.123 -0.309) 32.465 7.449 ( -4.431 -3.651 0.196) 5.744 8.848 ( -4.690 -12.574 1.765) 13.535 9.199 ( -4.487 -2.380 1.901) 5.423 9.939 ( 13.972 4.682 -7.145) 16.376 10.386 ( -6.675 18.666 4.753) 20.385 10.991 ( -2.093 -0.757 -3.810) 4.412 14.377 ( 12.374 -6.896 2.613) 14.405 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -7.891 2.154 1.083) 8.251 2.730 ( -9.327 2.345 -1.448) 9.726 3.615 ( -1.485 -3.305 -5.297) 6.418 4.563 ( 3.263 -1.345 3.114) 4.707 5.219 ( -28.663 13.196 0.300) 31.556 7.270 ( -13.241 -3.447 0.400) 13.688 8.656 ( -4.220 -10.787 1.854) 11.731 9.009 ( -13.178 -3.619 1.620) 13.762 10.264 ( 14.085 9.453 -7.164) 18.413 10.423 ( -4.457 10.389 -2.223) 11.521 11.026 ( 8.337 -0.594 3.027) 8.890 14.552 ( 13.821 -4.514 0.987) 14.573 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -9.023 1.185 2.057) 9.330 2.563 ( -11.801 0.829 0.685) 11.850 3.504 ( -6.560 -2.417 -3.599) 7.864 4.595 ( -3.068 0.674 -1.047) 3.310 4.815 ( -25.591 3.846 1.554) 25.925 6.913 ( -25.558 -3.113 0.621) 25.755 8.522 ( -3.563 -5.262 0.993) 6.433 8.739 ( -12.955 -3.595 0.975) 13.480 10.281 ( -9.863 5.534 0.027) 11.309 10.679 ( 20.013 4.763 -18.181) 27.455 11.277 ( 16.841 2.487 13.213) 21.550 14.748 ( 13.610 -3.467 -1.997) 14.186 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.000 7.225 2.242) 7.565 2.353 ( -0.000 10.675 14.186) 17.754 3.076 ( 0.000 12.875 1.923) 13.018 3.320 ( 0.000 24.393 -1.399) 24.433 4.448 ( 0.000 7.368 -10.674) 12.970 5.448 ( 0.000 48.775 2.210) 48.825 8.015 ( 0.000 14.226 0.650) 14.240 8.989 ( -0.000 -9.266 0.402) 9.275 10.030 ( -0.000 -5.492 -0.525) 5.517 10.542 ( 0.000 -4.287 -20.422) 20.867 12.663 ( -0.000 -31.529 16.299) 35.493 15.018 ( 0.000 2.541 -13.302) 13.542 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 4.083 6.501 1.346) 7.794 2.496 ( 0.872 8.526 12.647) 15.277 3.188 ( 0.483 8.620 -3.160) 9.194 3.657 ( 11.936 23.563 -1.054) 26.434 4.506 ( 1.426 8.042 -7.427) 11.039 5.968 ( 6.203 43.597 1.608) 44.065 8.196 ( 4.341 14.846 0.439) 15.473 8.857 ( -6.771 -4.814 -1.855) 8.513 10.012 ( 3.486 -3.191 0.015) 4.726 10.430 ( 0.725 -8.717 -16.156) 18.372 12.376 ( -3.091 -31.068 14.613) 34.471 14.954 ( -5.064 0.602 -11.245) 12.347 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 7.182 6.866 0.973) 9.983 2.626 ( 1.853 6.097 11.058) 12.763 3.240 ( 0.023 4.889 -7.562) 9.005 4.140 ( 17.313 21.938 -1.504) 27.987 4.617 ( 4.035 9.064 -2.261) 10.176 6.491 ( 9.422 34.129 0.900) 35.417 8.444 ( 6.590 14.311 1.137) 15.797 8.687 ( -8.534 1.335 -3.249) 9.229 10.084 ( 5.887 0.415 -1.642) 6.126 10.299 ( 0.628 -10.610 -10.886) 15.214 12.047 ( -5.327 -29.355 12.128) 32.206 14.792 ( -9.446 -1.924 -9.096) 13.254 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 7.836 8.002 0.761) 11.226 2.742 ( 2.713 3.177 8.866) 9.801 3.253 ( 0.384 3.093 -9.259) 9.769 4.530 ( 6.385 10.687 -1.808) 12.580 4.892 ( 15.066 18.721 1.772) 24.095 6.939 ( 9.629 22.936 0.486) 24.880 8.517 ( -5.778 4.530 -1.407) 7.476 8.773 ( 6.687 15.021 0.628) 16.454 10.068 ( -2.004 -8.815 -10.760) 14.054 10.313 ( 8.220 3.100 0.166) 8.786 11.707 ( -6.415 -25.370 9.173) 27.730 14.556 ( -11.123 -4.795 -6.758) 13.870 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 5.251 9.796 0.888) 11.151 2.828 ( 2.834 0.181 4.865) 5.633 3.273 ( 2.513 2.037 -8.129) 8.749 4.626 ( -0.115 2.413 1.271) 2.729 5.394 ( 14.702 25.728 0.875) 29.645 7.249 ( 6.537 11.542 0.311) 13.269 8.522 ( 0.854 7.153 0.001) 7.204 9.013 ( 4.600 11.705 1.092) 12.624 9.891 ( -2.789 -10.849 -8.982) 14.358 10.508 ( 5.054 9.986 0.408) 11.200 11.413 ( -5.210 -17.605 5.707) 19.226 14.303 ( -8.758 -7.739 -4.129) 12.395 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 1.108 -0.907 -0.087) 1.435 2.883 ( 0.684 10.950 1.888) 11.133 3.336 ( 6.165 0.229 -6.425) 8.907 4.612 ( -2.296 -1.605 3.133) 4.203 5.843 ( 5.033 29.691 0.115) 30.115 7.389 ( 3.385 0.711 0.276) 3.470 8.683 ( 8.483 7.308 1.526) 11.300 9.138 ( -0.362 5.260 0.808) 5.334 9.732 ( -0.048 -10.690 -6.948) 12.750 10.633 ( -4.297 12.404 2.546) 13.372 11.247 ( -1.908 -5.985 0.608) 6.311 14.108 ( -2.417 -9.867 -1.409) 10.256 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -1.689 -0.455 -1.778) 2.494 2.972 ( -3.022 10.146 1.677) 10.718 3.435 ( 7.800 -1.119 -6.222) 10.040 4.553 ( -2.431 -3.704 4.298) 6.173 6.112 ( -9.058 30.703 -0.376) 32.013 7.412 ( 3.916 -7.266 0.429) 8.266 8.882 ( 6.134 -1.055 1.103) 6.321 9.148 ( -0.820 4.975 2.141) 5.478 9.652 ( 4.584 -9.145 -6.074) 11.897 10.657 ( -8.181 14.781 5.267) 17.696 11.181 ( -4.353 0.664 -3.911) 5.890 14.036 ( 5.543 -9.727 0.545) 11.208 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( -4.195 0.500 -0.822) 4.304 2.986 ( -5.823 7.185 0.317) 9.254 3.525 ( 6.038 -1.164 -6.312) 8.812 4.502 ( -0.363 -3.888 4.814) 6.199 6.111 ( -22.166 23.295 -0.395) 32.158 7.406 ( 3.843 -7.400 0.411) 8.348 8.814 ( -4.548 -9.002 1.382) 10.179 9.243 ( 0.359 3.499 2.167) 4.131 9.705 ( 12.158 -2.147 -5.989) 13.722 10.711 ( -5.785 17.068 6.501) 19.158 11.050 ( -8.603 -2.121 -5.450) 10.403 14.103 ( 11.461 -7.269 0.745) 13.592 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -6.054 1.082 1.206) 6.268 2.914 ( -8.582 3.494 -0.756) 9.297 3.571 ( 2.205 -0.236 -5.972) 6.370 4.502 ( 2.627 -2.740 4.152) 5.626 5.833 ( -29.133 10.383 0.017) 30.928 7.379 ( -2.454 -2.720 0.245) 3.672 8.646 ( -5.497 -6.972 1.526) 9.009 9.176 ( -8.378 -1.728 0.941) 8.606 9.975 ( 18.843 3.967 -6.708) 20.391 10.753 ( -15.225 10.128 0.974) 18.312 10.908 ( 4.472 -1.994 1.917) 5.258 14.267 ( 14.051 -4.466 -0.768) 14.764 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -7.729 0.643 2.794) 8.244 2.770 ( -10.508 1.194 -0.115) 10.576 3.556 ( -2.413 1.119 -5.527) 6.134 4.552 ( 3.925 -1.386 2.095) 4.660 5.361 ( -31.530 -0.053 0.570) 31.535 7.235 ( -13.670 -0.072 0.317) 13.674 8.524 ( -3.604 -2.061 -0.047) 4.151 8.969 ( -13.876 -1.490 0.881) 13.984 10.330 ( 20.372 3.938 -10.998) 23.484 10.505 ( -13.338 -3.163 -1.371) 13.776 11.097 ( 11.012 4.201 9.873) 15.375 14.468 ( 14.204 -2.890 -3.274) 14.860 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 5.232 0.505) 5.256 2.598 ( -0.000 6.088 12.260) 13.688 3.246 ( 0.000 6.587 -7.319) 9.847 3.765 ( 0.000 21.190 -0.888) 21.209 4.556 ( 0.000 8.479 -4.910) 9.798 6.332 ( 0.000 38.953 0.886) 38.963 8.294 ( 0.000 13.833 -1.078) 13.875 8.887 ( 0.000 0.350 -4.102) 4.117 9.948 ( -0.000 -2.788 0.891) 2.927 10.291 ( 0.000 -9.926 -11.189) 14.958 12.137 ( -0.000 -31.033 12.262) 33.368 14.972 ( 0.000 -0.064 -9.429) 9.429 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 5.108 4.863 0.247) 7.057 2.687 ( 0.696 3.627 11.261) 11.852 3.268 ( -0.604 4.688 -10.066) 11.121 4.071 ( 12.581 19.021 -0.842) 22.821 4.642 ( 1.888 7.858 -1.706) 8.259 6.708 ( 3.516 30.544 0.031) 30.745 8.470 ( 5.561 12.858 -1.211) 14.061 8.841 ( -6.421 5.822 -5.887) 10.478 9.978 ( 4.995 -0.676 0.312) 5.050 10.168 ( 0.088 -9.731 -5.644) 11.249 11.852 ( -2.142 -29.739 9.648) 31.338 14.888 ( -6.106 -1.318 -7.813) 10.003 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 9.059 5.104 0.229) 10.400 2.759 ( 1.253 1.186 9.352) 9.510 3.267 ( -0.799 4.137 -9.695) 10.571 4.492 ( 13.056 14.598 -1.236) 19.623 4.793 ( 10.212 8.619 1.046) 13.405 7.037 ( 5.193 21.208 -0.308) 21.836 8.665 ( -0.605 9.610 -1.822) 9.799 8.820 ( 0.569 12.640 -3.889) 13.237 9.986 ( -1.420 -7.625 -6.195) 9.926 10.177 ( 9.500 0.649 2.587) 9.867 11.555 ( -2.947 -26.297 7.402) 27.477 14.696 ( -11.283 -2.811 -6.413) 13.279 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 10.650 5.759 0.073) 12.108 2.808 ( 1.489 -0.684 6.203) 6.415 3.269 ( -0.685 3.853 -6.766) 7.816 4.663 ( 0.049 4.232 0.297) 4.243 5.251 ( 24.811 15.727 0.641) 29.383 7.285 ( 3.973 12.551 -0.016) 13.165 8.662 ( -6.122 10.879 -2.008) 12.643 9.032 ( 6.381 10.714 -0.969) 12.507 9.834 ( -4.446 -8.385 -4.576) 10.537 10.417 ( 13.725 4.892 0.515) 14.580 11.303 ( -2.024 -19.724 6.018) 20.721 14.428 ( -13.639 -4.330 -4.921) 15.133 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 1.865 -1.204 1.605) 2.739 2.902 ( 8.968 7.071 1.297) 11.494 3.275 ( -0.183 1.981 -3.878) 4.358 4.654 ( -2.915 -0.194 1.044) 3.102 5.841 ( 23.312 18.798 0.218) 29.948 7.392 ( -1.233 3.551 0.154) 3.762 8.711 ( -0.242 11.097 0.364) 11.106 9.179 ( 2.037 4.954 -0.945) 5.439 9.655 ( -4.935 -8.647 -3.410) 10.524 10.699 ( 10.228 8.276 -0.976) 13.193 11.160 ( 1.621 -10.856 4.716) 11.947 14.145 ( -11.582 -5.610 -3.028) 13.221 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 0.765 -0.873 -0.086) 1.164 3.105 ( 2.766 10.137 2.085) 10.713 3.284 ( 3.941 -2.418 -3.798) 5.984 4.583 ( -3.807 -2.681 1.420) 4.868 6.373 ( 13.814 23.374 -0.059) 27.151 7.313 ( -4.858 -7.809 0.179) 9.198 8.839 ( 2.692 6.008 1.413) 6.733 9.220 ( -0.544 4.599 0.313) 4.642 9.498 ( -1.003 -9.557 -3.522) 10.234 10.860 ( -0.646 7.882 1.543) 8.057 11.175 ( 4.572 -1.799 0.105) 4.914 13.940 ( -4.413 -5.809 -1.004) 7.364 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -0.899 0.395 -0.391) 1.057 3.148 ( -5.667 4.428 1.687) 7.387 3.383 ( 8.627 0.954 -3.949) 9.536 4.499 ( -2.560 -3.594 2.016) 4.851 6.662 ( -13.357 24.049 -0.391) 27.512 7.175 ( 8.429 -15.923 0.445) 18.022 8.845 ( -4.205 -2.284 1.319) 4.964 9.286 ( -1.005 4.157 1.814) 4.645 9.470 ( 9.793 -3.071 -4.180) 11.082 10.888 ( -2.507 3.256 2.598) 4.862 11.185 ( -4.920 2.818 -1.891) 5.977 13.896 ( 5.038 -3.938 -0.163) 6.396 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -3.389 1.612 1.040) 3.895 3.057 ( -6.597 -1.317 -0.205) 6.730 3.515 ( 4.612 4.402 -4.028) 7.541 4.454 ( 0.598 -3.273 2.786) 4.340 6.378 ( -27.774 0.375 -0.098) 27.777 7.300 ( 9.259 -0.345 0.218) 9.268 8.728 ( -7.162 -0.391 2.034) 7.456 9.246 ( -2.487 -3.393 -1.083) 4.344 9.708 ( 14.968 5.246 -2.832) 16.112 10.828 ( -3.040 -9.749 -1.509) 10.323 11.093 ( -9.878 9.233 3.203) 13.895 14.013 ( 11.122 -1.123 -1.252) 11.249 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -6.515 0.821 2.915) 7.184 2.915 ( -6.972 -2.476 -0.808) 7.443 3.591 ( -0.001 5.635 -5.279) 7.722 4.474 ( 3.725 -2.345 3.068) 5.366 5.836 ( -29.231 -10.104 0.178) 30.928 7.378 ( -2.318 2.538 0.224) 3.445 8.632 ( -7.061 4.917 0.826) 8.644 9.139 ( -7.036 -1.949 -0.788) 7.343 10.018 ( 17.104 4.116 -5.487) 18.428 10.588 ( -7.659 -15.343 -1.981) 17.263 11.099 ( -1.223 6.997 6.892) 9.897 14.213 ( 12.737 0.640 -3.220) 13.154 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 3.822 -0.054) 3.822 2.739 ( -0.000 1.285 10.451) 10.529 3.285 ( 0.000 4.193 -10.901) 11.680 4.126 ( 0.000 15.948 -0.543) 15.957 4.695 ( 0.000 6.647 -0.462) 6.663 6.943 ( 0.000 23.219 -1.190) 23.250 8.525 ( 0.000 10.547 -2.289) 10.792 8.958 ( 0.000 10.540 -8.300) 13.416 9.936 ( -0.000 0.537 1.898) 1.973 10.071 ( -0.000 -8.012 -0.343) 8.020 11.605 ( -0.000 -28.806 6.807) 29.599 14.908 ( 0.000 -1.357 -6.496) 6.636 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 5.877 3.380 -0.027) 6.779 2.775 ( 0.473 -0.630 8.677) 8.712 3.291 ( -0.379 4.374 -8.825) 9.856 4.385 ( 13.062 13.394 -0.526) 18.716 4.763 ( 1.787 4.391 0.473) 4.764 7.152 ( 2.625 15.876 -1.651) 16.176 8.675 ( 6.637 9.108 -1.898) 11.428 8.998 ( -5.610 13.419 -7.876) 16.540 9.946 ( -1.377 -2.841 -0.104) 3.159 10.051 ( 5.396 -1.779 4.134) 7.026 11.346 ( -0.487 -25.570 4.590) 25.983 14.816 ( -6.909 -1.674 -5.496) 8.985 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 10.371 3.189 -0.053) 10.851 2.796 ( 0.790 -1.738 6.099) 6.391 3.307 ( -0.632 4.630 -4.744) 6.658 4.694 ( 3.735 6.708 -0.628) 7.703 4.947 ( 20.752 6.304 0.620) 21.698 7.333 ( 3.780 10.261 -0.926) 10.975 8.854 ( 0.474 10.482 -2.019) 10.685 9.033 ( 0.363 10.688 -4.567) 11.629 9.855 ( -5.180 -3.089 0.775) 6.081 10.201 ( 12.126 -1.430 1.685) 12.326 11.142 ( 0.828 -18.281 3.846) 18.700 14.615 ( -12.657 -1.875 -4.582) 13.591 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 11.402 2.408 -0.632) 11.670 2.814 ( 2.406 -1.228 3.877) 4.725 3.323 ( -1.729 4.023 -0.942) 4.479 4.709 ( -2.939 0.674 -0.768) 3.112 5.491 ( 30.881 8.334 0.233) 31.987 7.453 ( 0.620 5.292 -0.146) 5.330 8.888 ( -6.320 12.321 -1.034) 13.886 9.151 ( 4.383 2.243 -2.741) 5.635 9.715 ( -8.320 -2.682 1.051) 8.804 10.455 ( 19.385 -0.980 -1.357) 19.458 11.049 ( 2.171 -9.011 4.481) 10.295 14.341 ( -15.478 -1.669 -3.301) 15.914 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 1.679 -1.166 0.907) 2.237 3.001 ( 12.837 2.224 -0.270) 13.031 3.314 ( -3.611 3.069 1.729) 5.045 4.634 ( -4.485 -1.657 -1.293) 4.953 6.103 ( 31.259 7.193 0.210) 32.077 7.421 ( -8.165 0.094 -0.160) 8.167 8.901 ( -3.018 5.451 0.004) 6.230 9.213 ( 3.667 1.728 -2.355) 4.689 9.537 ( -9.580 -2.544 1.823) 10.078 10.787 ( 16.748 2.856 -4.006) 17.456 11.048 ( 4.037 -4.897 5.247) 8.235 14.067 ( -13.645 -0.668 -1.477) 13.741 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 1.438 -0.104 0.111) 1.446 3.185 ( 5.815 -4.818 -2.452) 7.940 3.309 ( 0.368 7.855 4.079) 8.859 4.531 ( -4.407 -2.467 -1.321) 5.220 6.656 ( 27.554 0.295 0.256) 27.557 7.182 ( -18.126 -0.444 -0.301) 18.134 8.871 ( -1.151 -3.054 -1.282) 3.506 9.312 ( 2.636 -3.272 -1.355) 4.415 9.403 ( -3.703 8.735 3.195) 10.011 10.923 ( -0.782 -1.264 -1.151) 1.880 11.159 ( 9.404 -1.147 0.826) 9.510 13.893 ( -6.223 1.615 0.116) 6.430 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 0.444 1.301 0.217) 1.391 3.105 ( -4.121 -6.981 -0.337) 8.113 3.480 ( 5.992 7.700 0.647) 9.778 4.444 ( -2.370 -2.339 -0.402) 3.354 6.672 ( -13.641 -23.809 0.076) 27.440 7.163 ( 8.834 15.548 -0.083) 17.882 8.828 ( -1.275 -0.056 0.030) 1.277 9.215 ( -2.460 -5.977 -0.689) 6.500 9.595 ( 7.406 11.250 0.987) 13.505 10.802 ( -5.868 -10.366 -0.725) 11.933 11.244 ( -0.023 1.329 0.459) 1.406 13.900 ( 3.092 4.468 0.028) 5.434 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( -3.562 1.615 2.232) 4.504 2.949 ( -3.837 -7.521 -1.475) 8.571 3.629 ( 2.514 7.862 -2.224) 8.549 4.413 ( 1.226 -2.051 1.516) 2.830 6.121 ( -22.332 -22.984 0.007) 32.047 7.400 ( 4.319 7.250 0.111) 8.440 8.826 ( -4.964 8.923 1.707) 10.353 9.141 ( 0.919 -5.284 -2.176) 5.788 9.835 ( 9.619 7.955 -1.147) 12.535 10.535 ( -7.909 -17.883 -0.779) 19.569 11.216 ( -3.870 0.598 2.375) 4.580 14.055 ( 8.286 6.019 -1.392) 10.335 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 2.436 0.011) 2.436 2.783 ( -0.000 -1.846 7.295) 7.525 3.315 ( 0.000 4.604 -5.938) 7.514 4.377 ( 0.000 9.841 -0.205) 9.843 4.790 ( 0.000 2.905 0.090) 2.906 7.252 ( 0.000 10.719 -2.037) 10.911 8.679 ( 0.000 6.588 -1.546) 6.767 9.164 ( 0.000 14.251 -8.149) 16.417 9.974 ( 0.000 1.754 1.216) 2.134 9.983 ( -0.000 -3.357 6.047) 6.916 11.117 ( -0.000 -22.915 2.262) 23.026 14.848 ( 0.000 -1.108 -4.768) 4.895 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 6.281 1.805 0.095) 6.536 2.784 ( 0.316 -2.385 5.568) 6.066 3.349 ( -0.088 4.869 -1.752) 5.175 4.586 ( 14.101 7.360 -0.269) 15.908 4.810 ( 0.794 0.425 -0.522) 1.041 7.357 ( 2.612 7.126 -0.979) 7.653 8.808 ( 8.111 5.446 -0.764) 9.799 9.223 ( -5.932 12.747 -5.320) 15.033 9.934 ( -3.833 0.778 3.280) 5.104 10.032 ( 4.676 -4.125 1.570) 6.430 10.948 ( 2.738 -15.551 1.689) 15.881 14.764 ( -7.278 -0.546 -4.195) 8.419 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 10.816 1.065 -0.160) 10.870 2.784 ( 0.853 -2.292 3.951) 4.646 3.389 ( -0.907 4.485 1.946) 4.972 4.755 ( -1.963 0.799 -2.236) 3.080 5.038 ( 27.004 2.408 0.351) 27.114 7.463 ( 3.024 3.785 0.090) 4.846 9.010 ( 8.422 4.977 -0.956) 9.829 9.183 ( -9.467 7.418 -1.300) 12.097 9.851 ( -7.628 -0.416 1.399) 7.766 10.122 ( 13.771 -4.909 -0.592) 14.632 10.922 ( 5.004 -6.156 2.470) 8.309 14.575 ( -13.070 0.454 -3.314) 13.491 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 7.824 -1.149 -0.894) 7.959 2.816 ( 6.681 -0.880 2.632) 7.234 3.410 ( -2.525 3.586 4.397) 6.211 4.687 ( -4.054 -1.374 -3.301) 5.406 5.575 ( 33.110 -0.036 0.339) 33.111 7.504 ( -1.203 0.069 -0.043) 1.206 9.038 ( -9.409 -2.594 -0.710) 9.786 9.166 ( 4.161 6.091 -0.601) 7.401 9.703 ( -8.953 -0.177 2.363) 9.262 10.422 ( 23.023 0.636 -2.363) 23.153 10.966 ( 3.345 -3.105 2.914) 5.415 14.330 ( -15.710 2.213 -1.733) 15.959 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 2.718 -1.659 -0.250) 3.194 2.990 ( 10.954 -2.693 -0.238) 11.282 3.410 ( -2.715 3.747 5.908) 7.504 4.584 ( -4.784 -1.566 -3.847) 6.336 6.105 ( 31.327 -7.326 0.291) 32.174 7.414 ( -8.264 -0.456 -0.440) 8.288 8.850 ( -4.833 -7.797 -2.272) 9.450 9.265 ( 2.350 0.820 -0.165) 2.494 9.603 ( -7.217 8.490 4.887) 12.167 10.818 ( 19.578 3.694 -4.866) 20.509 10.963 ( 1.038 -7.127 3.613) 8.057 14.107 ( -13.563 4.993 0.326) 14.457 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 3.168 -1.163 -1.149) 3.565 3.056 ( 1.890 -7.176 -0.077) 7.421 3.473 ( 3.301 5.772 5.156) 8.414 4.482 ( -4.283 -0.724 -3.370) 5.498 6.377 ( 14.260 -23.711 0.125) 27.669 7.302 ( -5.027 7.769 -0.294) 9.259 8.750 ( 3.096 -6.532 -2.651) 7.700 9.236 ( -2.787 -4.017 1.166) 5.026 9.676 ( -0.846 14.876 4.169) 15.472 10.818 ( -7.072 -9.105 0.596) 11.544 11.122 ( 12.628 -1.346 -3.029) 13.056 14.000 ( -6.516 8.277 1.672) 10.666 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 0.930 0.306) 0.979 2.772 ( -0.000 -2.734 4.767) 5.496 3.399 ( 0.000 5.114 2.022) 5.499 4.507 ( 0.000 3.419 0.091) 3.421 4.809 ( 0.000 -0.274 -1.879) 1.899 7.390 ( 0.000 4.668 0.313) 4.679 8.773 ( 0.000 3.341 0.759) 3.426 9.384 ( 0.000 11.578 -2.948) 11.947 9.945 ( -0.000 -5.833 2.619) 6.394 9.996 ( 0.000 -0.071 -0.832) 0.835 10.797 ( -0.000 -8.817 1.274) 8.908 14.813 ( 0.000 0.417 -3.994) 4.016 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 6.280 0.074 0.283) 6.287 2.760 ( 0.389 -2.908 3.721) 4.738 3.457 ( -0.477 4.771 5.300) 7.147 4.666 ( 16.055 0.544 0.136) 16.065 4.782 ( -1.185 -1.653 -3.125) 3.729 7.445 ( 2.073 1.654 1.345) 2.974 8.878 ( 8.208 1.474 1.118) 8.414 9.424 ( -7.542 8.730 2.194) 11.743 9.870 ( 0.355 -10.191 -4.789) 11.265 9.981 ( 0.670 1.239 1.217) 1.861 10.805 ( 4.526 -0.169 1.791) 4.870 14.750 ( -7.109 1.636 -3.565) 8.120 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 10.277 -1.207 -0.319) 10.353 2.755 ( 1.462 -2.937 2.690) 4.242 3.498 ( -1.814 3.468 7.153) 8.153 4.718 ( -2.760 -1.993 -4.359) 5.531 5.035 ( 27.611 -3.169 0.283) 27.793 7.482 ( 1.815 -2.531 0.840) 3.226 9.012 ( 5.299 -3.766 -0.782) 6.547 9.298 ( -11.028 0.293 3.703) 11.637 9.796 ( -1.079 -0.493 -0.983) 1.541 10.112 ( 13.125 2.969 -0.754) 13.478 10.902 ( 3.689 2.442 1.383) 4.635 14.596 ( -12.375 3.442 -2.402) 13.067 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 6.802 -3.296 -1.733) 7.755 2.796 ( 7.321 -2.933 2.144) 8.173 3.506 ( -2.834 2.016 7.705) 8.454 4.630 ( -3.753 -1.398 -4.882) 6.314 5.489 ( 31.059 -9.055 0.164) 32.353 7.453 ( -0.572 -5.446 -0.195) 5.480 8.880 ( -8.698 -10.077 -1.559) 13.403 9.217 ( 1.425 -4.526 0.030) 4.745 9.814 ( -3.927 11.144 6.169) 13.329 10.447 ( 21.941 1.494 -2.054) 22.088 10.954 ( -0.808 1.856 0.177) 2.032 14.405 ( -14.272 5.991 -0.383) 15.483 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 4.106 -3.794 -2.218) 6.014 2.907 ( 7.692 -5.856 0.891) 9.708 3.510 ( -0.598 1.976 7.167) 7.458 4.542 ( -4.121 0.299 -4.464) 6.083 5.833 ( 23.558 -19.787 -0.098) 30.765 7.381 ( -1.188 -3.535 -0.331) 3.744 8.661 ( -3.268 -8.765 -1.790) 9.524 9.184 ( 2.008 -8.059 -0.664) 8.332 9.908 ( -4.527 17.048 8.021) 19.377 10.746 ( 11.404 -11.431 1.802) 16.247 10.947 ( 1.056 7.794 -5.818) 9.783 14.255 ( -11.712 9.039 1.883) 14.913 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -0.000 -0.750 0.512) 0.908 2.736 ( -0.000 -3.541 3.102) 4.707 3.528 ( -0.000 4.396 8.162) 9.270 4.511 ( -0.000 -3.082 0.296) 3.096 4.766 ( 0.000 -1.793 -4.243) 4.606 7.434 ( -0.000 -1.685 2.134) 2.719 8.816 ( -0.000 -0.383 2.785) 2.812 9.592 ( -0.000 5.509 8.772) 10.358 9.750 ( 0.000 -7.929 -7.917) 11.204 9.958 ( 0.000 -2.442 -2.638) 3.595 10.810 ( 0.000 7.610 1.508) 7.758 14.821 ( 0.000 2.788 -3.715) 4.645 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 5.902 -1.822 0.288) 6.184 2.710 ( 0.601 -4.216 2.133) 4.763 3.580 ( -1.261 2.557 9.313) 9.740 4.601 ( 14.695 -7.051 0.420) 16.305 4.729 ( 0.037 -1.067 -4.884) 4.999 7.413 ( 1.307 -6.618 1.345) 6.879 8.867 ( 6.039 -3.991 1.906) 7.486 9.441 ( -9.778 -13.880 2.478) 17.158 9.801 ( 2.138 11.553 -0.953) 11.788 9.987 ( 5.901 -0.044 0.506) 5.922 10.923 ( 1.386 10.322 0.025) 10.414 14.787 ( -6.491 4.321 -3.193) 8.426 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 9.003 -3.466 -0.623) 9.667 2.692 ( 2.302 -4.907 1.256) 5.564 3.587 ( -2.488 -0.138 8.701) 9.050 4.646 ( -0.995 -2.455 -3.740) 4.583 4.911 ( 24.597 -9.241 -0.647) 26.284 7.354 ( 1.976 -11.274 -0.018) 11.446 8.873 ( -0.508 -9.416 -1.067) 9.490 9.153 ( -5.522 -13.618 0.103) 14.696 9.982 ( 2.569 14.854 5.277) 15.971 10.157 ( 12.047 2.253 2.340) 12.478 11.027 ( -1.135 10.122 -2.090) 10.397 14.680 ( -10.898 6.354 -1.645) 12.722 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 6.203 -5.317 -2.283) 8.483 2.718 ( 6.897 -6.184 1.050) 9.323 3.558 ( -1.934 -1.912 7.161) 7.660 4.593 ( -2.549 0.462 -3.239) 4.148 5.223 ( 25.639 -17.814 -0.546) 31.225 7.274 ( 3.505 -13.098 -0.459) 13.567 8.671 ( -7.712 -9.378 -1.388) 12.221 9.022 ( 3.478 -13.175 -1.374) 13.696 10.180 ( -2.167 18.901 10.814) 21.884 10.408 ( 15.571 -4.414 0.970) 16.213 11.067 ( -4.276 10.867 -5.596) 12.949 14.553 ( -12.024 8.758 0.778) 14.896 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -0.000 -2.621 0.415) 2.653 2.663 ( -0.000 -5.449 1.374) 5.620 3.635 ( -0.000 -0.087 9.569) 9.569 4.389 ( -0.000 -9.549 0.358) 9.556 4.707 ( 0.000 -0.963 -4.334) 4.440 7.313 ( -0.000 -12.381 0.593) 12.395 8.772 ( -0.000 -6.368 2.659) 6.901 9.356 ( -0.000 -17.847 -2.909) 18.083 9.892 ( 0.000 -1.823 -2.506) 3.099 9.984 ( 0.000 19.046 10.597) 21.795 11.037 ( 0.000 14.508 -2.185) 14.672 14.879 ( 0.000 5.399 -3.485) 6.426 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 5.264 -3.869 0.002) 6.533 2.612 ( 0.840 -6.752 0.386) 6.815 3.629 ( -1.483 -3.894 7.728) 8.780 4.407 ( 13.828 -13.070 0.470) 19.033 4.691 ( 0.238 0.151 -3.130) 3.142 7.175 ( 1.729 -18.419 -0.566) 18.508 8.733 ( 3.427 -10.562 0.585) 11.119 9.118 ( -6.257 -15.738 -2.976) 17.195 9.928 ( 6.464 1.073 -2.052) 6.867 10.239 ( 1.225 20.200 15.859) 25.711 11.166 ( -1.337 15.295 -5.026) 16.155 14.879 ( -5.603 6.804 -2.759) 9.236 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 7.561 -5.643 -0.941) 9.481 2.569 ( 2.990 -8.106 -0.408) 8.649 3.567 ( -1.493 -6.705 5.268) 8.656 4.539 ( 13.256 -11.770 0.918) 17.751 4.719 ( 7.762 -5.072 -2.286) 9.550 7.022 ( 4.879 -22.749 -0.932) 23.285 8.653 ( -0.069 -11.766 -1.929) 11.923 8.871 ( -4.032 -12.793 -1.621) 13.511 10.103 ( 12.523 0.081 -1.027) 12.565 10.491 ( -1.732 20.487 18.557) 27.696 11.249 ( -4.213 15.341 -8.697) 18.131 14.820 ( -9.097 8.480 -0.822) 12.464 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -0.000 -4.721 -0.052) 4.721 2.530 ( -0.000 -8.663 -0.480) 8.676 3.600 ( -0.000 -8.518 5.053) 9.904 4.143 ( -0.000 -15.736 0.225) 15.737 4.694 ( 0.000 1.052 -0.588) 1.205 6.937 ( -0.000 -26.044 -1.330) 26.078 8.589 ( -0.000 -13.071 0.468) 13.079 9.017 ( -0.000 -12.831 -5.015) 13.776 9.881 ( 0.000 1.811 -0.479) 1.873 10.501 ( -0.000 22.824 20.814) 30.890 11.322 ( 0.000 17.592 -8.438) 19.511 14.986 ( 0.000 7.447 -3.086) 8.061 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 4.574 -6.155 -0.533) 7.687 2.442 ( 1.202 -10.589 -1.470) 10.758 3.503 ( -0.410 -11.843 2.405) 12.092 4.093 ( 13.230 -19.068 0.175) 23.209 4.702 ( -0.487 1.143 1.015) 1.604 6.673 ( 3.630 -32.346 -1.493) 32.584 8.473 ( 2.603 -15.273 -1.130) 15.534 8.859 ( -4.678 -7.218 -4.084) 9.522 9.957 ( 5.871 2.789 0.233) 6.504 10.784 ( -0.802 21.072 23.936) 31.900 11.448 ( -2.866 19.154 -12.301) 22.944 15.014 ( -4.565 8.278 -2.166) 9.698 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 -7.288 -0.828) 7.335 2.308 ( -0.000 -13.401 -2.519) 13.636 3.372 ( -0.000 -15.758 0.269) 15.761 3.782 ( -0.000 -20.925 -0.103) 20.926 4.720 ( -0.000 0.387 2.519) 2.549 6.276 ( -0.000 -40.301 -1.639) 40.334 8.292 ( -0.000 -16.202 -1.199) 16.247 8.841 ( 0.000 -1.323 -4.894) 5.069 9.952 ( 0.000 4.892 1.072) 5.008 11.058 ( -0.000 16.622 26.253) 31.073 11.642 ( 0.000 23.804 -14.270) 27.753 15.124 ( 0.000 8.111 -2.609) 8.520 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.000 -0.000 24.695) 24.695 0.704 ( -0.000 -0.000 24.695) 24.695 1.498 ( -0.000 -0.000 53.787) 53.787 2.255 ( 0.000 0.000 -5.235) 5.235 2.255 ( 0.000 0.000 -5.235) 5.235 5.499 ( 0.000 0.000 -17.084) 17.084 7.393 ( -0.000 -0.000 2.271) 2.271 7.393 ( -0.000 -0.000 2.271) 2.271 10.403 ( 0.000 0.000 -1.528) 1.528 10.403 ( 0.000 0.000 -1.528) 1.528 14.013 ( -0.000 -0.000 1.502) 1.502 14.960 ( 0.000 0.000 -0.529) 0.529 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 15.666 9.045 18.300) 25.732 1.196 ( 19.181 11.074 22.305) 31.434 1.852 ( 18.392 10.619 40.461) 45.696 2.292 ( 5.134 2.964 -5.544) 8.116 2.487 ( 22.539 13.013 -4.956) 26.493 4.883 ( -20.199 -11.662 -0.352) 23.326 7.436 ( 3.126 1.805 2.341) 4.303 8.875 ( 71.639 41.361 -43.366) 93.400 10.252 ( -9.677 -5.587 -4.123) 11.911 10.374 ( -2.263 -1.306 -1.539) 3.032 13.984 ( -5.899 -3.406 4.830) 8.350 14.919 ( -1.072 -0.619 -7.624) 7.723 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 17.449 10.074 11.246) 23.074 1.569 ( 10.028 5.790 24.301) 26.918 2.390 ( 18.818 10.865 18.388) 28.465 2.467 ( 12.151 7.016 -4.901) 14.862 3.265 ( 43.907 25.350 -0.052) 50.699 4.613 ( -5.540 -3.199 -6.641) 9.221 7.547 ( 6.076 3.508 2.125) 7.331 9.524 ( -7.332 -4.233 -5.230) 9.951 10.297 ( -3.982 -2.299 -1.461) 4.824 10.320 ( 24.716 14.270 -31.202) 42.285 13.744 ( -16.893 -9.753 14.208) 24.132 14.885 ( 0.776 0.448 -17.524) 17.547 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 12.059 6.963 5.984) 15.157 1.863 ( 10.881 6.282 18.284) 22.185 2.817 ( 19.370 11.183 -2.898) 22.553 2.819 ( 15.288 8.826 10.463) 20.520 4.253 ( 33.999 19.629 -6.867) 39.855 4.596 ( 13.303 7.680 -2.724) 15.601 7.723 ( 8.906 5.142 1.624) 10.412 9.154 ( -18.682 -10.786 -0.165) 21.573 10.193 ( -4.606 -2.659 -1.221) 5.457 10.716 ( 14.588 8.423 -25.421) 30.496 13.350 ( -21.857 -12.619 19.100) 31.651 14.826 ( -1.131 -0.653 -19.064) 19.109 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 7.980 4.607 2.563) 9.564 2.179 ( 12.853 7.421 12.319) 19.288 3.131 ( 10.119 5.842 4.293) 12.448 3.284 ( 21.488 12.406 -1.286) 24.846 4.472 ( 5.102 2.945 -11.621) 13.029 5.423 ( 41.481 23.949 2.840) 47.982 7.955 ( 11.182 6.456 0.852) 12.940 8.775 ( -13.518 -7.804 -1.196) 15.655 10.090 ( -4.098 -2.366 -0.722) 4.787 10.824 ( 1.893 1.093 -20.060) 20.178 12.876 ( -25.198 -14.548 18.072) 34.251 14.733 ( -2.254 -1.302 -14.230) 14.466 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 5.850 3.378 0.851) 6.809 2.505 ( 12.798 7.389 8.509) 17.053 3.308 ( 5.925 3.421 -3.466) 7.669 3.745 ( 19.006 10.973 -0.664) 21.956 4.569 ( 5.348 3.087 -5.599) 8.335 6.275 ( 32.258 18.624 1.524) 37.280 8.223 ( 12.168 7.025 -0.210) 14.052 8.580 ( -2.576 -1.487 -1.617) 3.386 10.010 ( -2.855 -1.648 0.128) 3.299 10.722 ( -5.022 -2.899 -16.651) 17.632 12.320 ( -27.905 -16.111 12.679) 34.627 14.652 ( -1.944 -1.122 -6.803) 7.164 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.262 2.461 0.017) 4.922 2.784 ( 9.321 5.381 5.872) 12.260 3.410 ( 5.685 3.282 -10.129) 12.070 4.122 ( 14.312 8.263 -0.474) 16.533 4.651 ( 2.166 1.250 0.456) 2.542 6.869 ( 20.386 11.770 0.195) 23.540 8.490 ( 11.318 6.535 -1.493) 13.154 8.665 ( 10.022 5.786 -1.088) 11.623 9.962 ( -1.644 -0.949 1.296) 2.298 10.531 ( -7.469 -4.312 -12.747) 15.390 11.714 ( -27.504 -15.880 6.646) 32.447 14.605 ( -1.230 -0.710 -0.564) 1.528 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 2.680 1.547 -0.389) 3.119 2.940 ( 3.250 1.877 1.626) 4.090 3.528 ( 7.919 4.572 -12.553) 15.531 4.383 ( 8.790 5.075 -0.398) 10.158 4.663 ( -1.679 -0.969 5.054) 5.413 7.233 ( 12.731 7.350 -1.271) 14.755 8.713 ( 8.700 5.023 -2.665) 10.393 8.969 ( 15.557 8.982 -0.196) 17.965 9.937 ( -1.252 -0.723 2.459) 2.852 10.312 ( -9.503 -5.487 -7.508) 13.296 11.170 ( -20.278 -11.708 1.718) 23.478 14.591 ( -0.388 -0.224 3.258) 3.289 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 1.000 0.577 -0.547) 1.278 2.951 ( -1.612 -0.931 -3.231) 3.729 3.679 ( 8.090 4.671 -11.750) 15.011 4.516 ( 3.065 1.770 -0.334) 3.555 4.623 ( -3.171 -1.831 7.891) 8.699 7.446 ( 6.200 3.580 -1.997) 7.433 8.857 ( 4.708 2.718 -3.170) 6.293 9.319 ( 14.544 8.397 0.749) 16.811 9.912 ( -1.730 -0.999 3.042) 3.639 10.040 ( -12.650 -7.304 -3.008) 14.914 10.867 ( -6.129 -3.538 -1.629) 7.262 14.609 ( 0.923 0.533 5.285) 5.391 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.751 -0.433 -0.524) 1.013 2.865 ( -4.588 -2.649 -5.299) 7.493 3.793 ( 4.288 2.476 -10.111) 11.258 4.520 ( -2.668 -1.540 -0.259) 3.092 4.590 ( -1.429 -0.825 8.187) 8.352 7.482 ( -2.838 -1.638 -1.057) 3.443 8.897 ( -0.619 -0.357 -2.557) 2.655 9.510 ( -5.463 -3.154 7.993) 10.182 9.879 ( -1.831 -1.057 2.550) 3.312 9.880 ( 7.868 4.542 -10.171) 13.637 10.851 ( 4.044 2.335 -1.378) 4.869 14.669 ( 2.962 1.710 6.339) 7.203 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -2.526 -1.458 -0.331) 2.935 2.721 ( -6.678 -3.855 -4.558) 8.957 3.787 ( -2.800 -1.617 -6.471) 7.234 4.394 ( -8.332 -4.811 -0.161) 9.623 4.618 ( 2.036 1.175 4.997) 5.522 7.311 ( -12.226 -7.059 0.703) 14.135 8.807 ( -6.892 -3.979 -1.009) 8.021 9.247 ( -15.018 -8.671 7.701) 18.975 9.857 ( -0.267 -0.154 1.112) 1.154 10.229 ( 21.601 12.472 -14.102) 28.654 11.002 ( 8.782 5.070 1.256) 10.218 14.784 ( 5.385 3.109 6.616) 9.080 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -4.327 -2.498 0.073) 4.997 2.537 ( -8.821 -5.093 -1.787) 10.341 3.635 ( -9.076 -5.240 -2.655) 10.811 4.144 ( -13.695 -7.907 -0.025) 15.814 4.687 ( 2.606 1.505 0.842) 3.125 6.924 ( -22.796 -13.161 1.569) 26.369 8.589 ( -11.962 -6.906 0.447) 13.819 8.963 ( -10.782 -6.225 6.581) 14.083 9.880 ( 2.182 1.260 -0.295) 2.537 10.694 ( 22.910 13.227 -21.109) 33.844 11.247 ( 12.041 6.952 7.870) 15.977 14.947 ( 7.151 4.129 5.599) 9.976 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 19.742 18.548) 27.088 1.214 ( 0.000 27.915 18.248) 33.350 1.949 ( -0.000 13.374 43.481) 45.491 2.283 ( 0.000 6.542 -6.294) 9.078 2.459 ( 0.000 25.519 -4.767) 25.960 4.879 ( -0.000 -23.066 -3.337) 23.306 7.441 ( 0.000 3.644 2.394) 4.360 8.726 ( 0.000 77.266 -36.217) 85.333 10.277 ( -0.000 -7.709 -4.770) 9.066 10.361 ( -0.000 -3.081 -1.689) 3.514 13.992 ( -0.000 -6.712 4.551) 8.109 14.902 ( 0.000 -2.085 -6.699) 7.016 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.984 20.653 13.655) 25.255 1.595 ( 6.587 14.385 21.274) 26.513 2.309 ( 11.482 13.699 24.821) 30.587 2.399 ( 5.929 11.796 -5.601) 14.341 2.984 ( 24.289 38.899 0.008) 45.859 4.639 ( -5.174 -8.084 -7.203) 12.000 7.521 ( 3.112 5.545 2.350) 6.779 9.417 ( 14.942 17.263 -16.715) 28.297 10.167 ( -0.129 8.565 -18.168) 20.086 10.322 ( -0.522 -1.273 -3.844) 4.083 13.851 ( -6.847 -15.916 11.353) 20.715 14.859 ( -1.005 2.278 -14.622) 14.833 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 7.067 13.944 8.606) 17.845 1.869 ( 5.441 10.717 19.354) 22.782 2.686 ( 12.477 16.627 -0.005) 20.788 2.711 ( 13.337 13.367 10.041) 21.387 3.895 ( 34.137 35.825 -1.585) 49.510 4.533 ( 1.026 2.379 -8.279) 8.675 7.668 ( 5.778 7.633 2.149) 9.811 9.309 ( -13.377 -14.628 0.475) 19.828 10.214 ( -1.466 -3.474 -2.226) 4.378 10.492 ( 14.032 16.285 -26.735) 34.305 13.539 ( -13.084 -20.652 17.351) 29.979 14.811 ( -2.320 3.322 -18.965) 19.393 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 5.543 9.542 4.310) 11.847 2.132 ( 7.665 10.313 14.583) 19.436 3.027 ( 10.693 7.220 6.429) 14.415 3.148 ( 15.790 22.612 -0.870) 27.593 4.380 ( 5.833 5.177 -13.459) 15.555 5.044 ( 35.178 31.900 3.130) 47.591 7.877 ( 8.042 9.704 1.763) 12.727 8.917 ( -14.684 -12.541 -0.208) 19.312 10.135 ( -3.417 -2.074 -1.180) 4.168 10.698 ( 6.941 2.990 -21.162) 22.471 13.122 ( -17.886 -21.817 17.908) 33.415 14.731 ( -3.272 1.661 -16.186) 16.597 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 3.829 8.165 1.748) 9.186 2.419 ( 10.026 9.376 10.706) 17.408 3.226 ( 6.332 2.750 -0.806) 6.950 3.634 ( 14.468 23.140 -0.719) 27.300 4.489 ( 5.999 5.139 -7.935) 11.196 5.943 ( 33.015 26.895 2.009) 42.631 8.133 ( 9.282 11.202 1.142) 14.593 8.620 ( -7.477 -7.002 -0.819) 10.276 10.061 ( -3.647 0.178 -0.768) 3.731 10.680 ( -0.375 -4.255 -17.362) 17.880 12.613 ( -22.739 -21.394 13.444) 33.993 14.648 ( -2.243 -0.765 -9.165) 9.467 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 2.227 7.551 0.523) 7.890 2.700 ( 9.609 6.892 7.837) 14.186 3.318 ( 4.713 1.568 -8.124) 9.523 4.063 ( 10.331 21.099 -0.704) 23.503 4.617 ( 4.461 4.176 -1.481) 6.288 6.651 ( 22.993 18.670 1.060) 29.638 8.401 ( 8.832 10.685 0.302) 13.866 8.562 ( 5.223 0.853 -0.686) 5.337 10.011 ( -3.279 1.660 -0.094) 3.676 10.536 ( -3.995 -6.240 -13.874) 15.729 12.027 ( -25.937 -19.032 7.412) 33.013 14.590 ( -0.290 -3.104 -2.235) 3.836 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 0.602 6.943 -0.098) 6.969 2.896 ( 5.175 2.538 3.976) 7.002 3.402 ( 6.836 3.193 -11.785) 13.993 4.383 ( 5.195 17.490 -0.491) 18.252 4.692 ( 0.078 2.475 3.135) 3.995 7.102 ( 13.451 11.807 -0.146) 17.899 8.638 ( 8.196 8.507 -0.539) 11.826 8.784 ( 14.317 7.042 -0.330) 15.958 9.976 ( -2.831 1.043 0.864) 3.138 10.358 ( -5.795 -5.858 -9.401) 12.501 11.445 ( -24.288 -13.359 2.515) 27.834 14.563 ( 1.545 -4.590 2.335) 5.377 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( -1.112 6.135 -0.403) 6.248 2.947 ( 0.059 -0.965 -1.703) 1.958 3.541 ( 8.723 4.121 -11.206) 14.787 4.573 ( 0.506 10.818 1.186) 10.895 4.697 ( -4.131 4.266 4.707) 7.578 7.370 ( 7.867 7.117 -1.404) 10.701 8.825 ( 4.515 7.635 -1.482) 8.993 9.128 ( 17.217 7.036 -0.269) 18.601 9.926 ( -3.772 -2.728 2.640) 5.352 10.158 ( -8.364 -5.495 -4.617) 11.021 11.018 ( -15.089 -3.431 -1.088) 15.512 14.567 ( 3.208 -4.829 4.716) 7.473 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -2.849 5.059 -0.486) 5.826 2.890 ( -3.154 -2.349 -4.793) 6.200 3.684 ( 7.321 2.578 -10.464) 13.028 4.619 ( -1.150 -0.800 7.074) 7.211 4.683 ( -8.655 12.446 0.411) 15.165 7.491 ( 1.205 1.903 -1.625) 2.777 8.921 ( -0.285 4.981 -1.645) 5.254 9.486 ( 17.170 6.871 -1.602) 18.564 9.735 ( -11.307 -12.322 4.550) 17.332 10.023 ( -3.800 2.921 -2.364) 5.344 10.867 ( -3.388 3.854 -2.337) 5.638 14.610 ( 5.066 -3.879 5.754) 8.592 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -4.503 3.746 -0.364) 5.869 2.776 ( -5.404 -2.904 -4.700) 7.728 3.752 ( 2.501 -0.745 -8.947) 9.320 4.596 ( -7.780 3.121 2.907) 8.873 4.632 ( -5.466 6.270 3.584) 9.057 7.428 ( -7.436 -3.339 -0.346) 8.158 8.894 ( -5.758 0.550 -0.889) 5.852 9.406 ( -13.066 -13.654 5.214) 19.605 9.809 ( 10.804 5.643 -0.503) 12.199 10.060 ( 5.330 9.912 -7.401) 13.470 10.928 ( 5.178 5.141 -0.657) 7.326 14.701 ( 7.214 -2.194 5.888) 9.567 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -6.050 2.332 -0.027) 6.484 2.626 ( -7.403 -3.426 -2.401) 8.503 3.690 ( -4.170 -4.214 -5.641) 8.183 4.410 ( -18.270 5.544 -0.279) 19.094 4.662 ( 1.788 0.985 3.150) 3.754 7.168 ( -17.317 -7.952 0.999) 19.082 8.734 ( -10.910 -3.551 0.279) 11.477 9.081 ( -11.250 -12.159 5.027) 17.311 9.914 ( -1.429 6.337 1.136) 6.595 10.389 ( 20.317 12.374 -16.654) 29.039 11.123 ( 11.164 5.059 4.292) 12.987 14.844 ( 9.043 -0.556 4.876) 10.289 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 16.865 11.957) 20.673 1.767 ( -0.000 17.642 18.104) 25.278 2.431 ( -0.000 15.178 22.315) 26.988 2.458 ( 0.000 15.816 -5.889) 16.877 3.226 ( 0.000 49.591 1.659) 49.619 4.580 ( 0.000 -5.953 -9.279) 11.024 7.565 ( 0.000 7.655 2.200) 7.965 9.407 ( 0.000 6.459 -6.594) 9.231 10.242 ( 0.000 16.618 -25.423) 30.372 10.267 ( -0.000 -5.294 -1.584) 5.526 13.755 ( -0.000 -22.318 13.216) 25.937 14.857 ( 0.000 4.790 -16.196) 16.889 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 3.048 12.717 8.173) 15.421 1.990 ( 1.506 13.874 16.947) 21.953 2.695 ( 6.874 16.528 8.503) 19.817 2.705 ( 8.581 19.186 2.649) 21.184 3.864 ( 15.697 45.109 -0.866) 47.770 4.525 ( 0.652 4.503 -9.174) 10.241 7.684 ( 3.159 9.714 2.097) 10.428 9.325 ( -5.606 -14.169 1.620) 15.324 10.187 ( -0.971 -3.350 -2.995) 4.597 10.408 ( 6.510 15.763 -25.426) 30.616 13.510 ( -5.430 -26.589 16.505) 31.762 14.842 ( -2.216 5.936 -18.287) 19.354 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 4.170 9.904 4.942) 11.828 2.200 ( 2.922 12.168 14.100) 18.853 2.973 ( 7.441 9.308 7.913) 14.305 3.138 ( 14.315 26.278 -1.222) 29.949 4.310 ( 5.421 9.441 -12.906) 16.884 4.908 ( 22.111 38.673 2.135) 44.599 7.874 ( 5.843 12.004 2.167) 13.525 9.014 ( -12.283 -14.753 0.453) 19.202 10.139 ( -0.343 -2.979 -1.226) 3.240 10.554 ( 6.098 4.401 -21.026) 22.330 13.164 ( -9.902 -27.799 17.328) 34.221 14.780 ( -4.658 4.265 -16.783) 17.931 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 3.822 9.695 2.572) 10.733 2.420 ( 5.424 10.520 11.559) 16.544 3.156 ( 5.118 3.587 0.516) 6.271 3.653 ( 14.287 28.045 -0.806) 31.485 4.429 ( 5.212 7.577 -8.708) 12.665 5.730 ( 27.466 35.123 1.944) 44.630 8.124 ( 7.478 14.049 2.224) 16.069 8.688 ( -10.404 -9.981 -0.603) 14.430 10.108 ( -1.321 0.204 -1.344) 1.896 10.562 ( 2.265 -4.763 -16.729) 17.541 12.736 ( -14.664 -26.899 14.327) 33.821 14.676 ( -5.055 0.756 -11.647) 12.720 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 2.103 10.206 1.148) 10.483 2.653 ( 7.266 7.780 9.501) 14.268 3.235 ( 3.622 0.911 -6.578) 7.565 4.132 ( 10.313 26.439 -1.371) 28.412 4.587 ( 5.467 8.610 -1.927) 10.380 6.473 ( 23.348 25.632 1.233) 34.693 8.392 ( 6.127 11.937 2.149) 13.588 8.516 ( -0.347 -0.932 -0.597) 1.160 10.085 ( -2.678 2.510 -2.168) 4.263 10.466 ( -0.513 -7.121 -12.741) 14.605 12.233 ( -19.304 -23.577 8.880) 31.739 14.566 ( -2.913 -3.557 -5.252) 6.980 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.011 10.454 0.404) 10.462 2.848 ( 5.468 3.255 6.347) 8.987 3.291 ( 5.271 1.962 -10.429) 11.849 4.479 ( 5.136 16.705 -0.888) 17.499 4.761 ( 1.753 14.471 2.095) 14.727 7.004 ( 14.631 16.378 0.629) 21.970 8.530 ( 9.312 1.635 1.117) 9.520 8.708 ( 7.186 13.834 0.546) 15.598 10.039 ( -3.366 0.065 -3.684) 4.990 10.357 ( -2.781 -2.865 -7.179) 8.215 11.700 ( -21.165 -17.053 3.485) 27.402 14.484 ( 0.502 -7.215 -0.078) 7.233 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -2.127 10.195 -0.010) 10.414 2.924 ( 1.232 -0.860 0.428) 1.562 3.404 ( 8.036 3.505 -9.654) 13.041 4.623 ( 1.330 2.452 3.307) 4.327 4.936 ( -4.724 24.065 0.864) 24.539 7.316 ( 8.006 9.644 -0.182) 12.535 8.771 ( 12.893 4.579 1.487) 13.763 8.952 ( 8.182 9.530 -0.346) 12.565 9.962 ( -1.962 -3.350 -3.511) 5.235 10.248 ( -8.197 0.505 -1.695) 8.386 11.251 ( -17.087 -6.652 -0.792) 18.354 14.445 ( 3.905 -9.048 3.019) 10.307 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -4.236 9.238 -0.193) 10.165 2.898 ( -1.653 -1.879 -3.493) 4.297 3.547 ( 8.004 2.439 -9.010) 12.296 4.634 ( -0.632 -2.705 6.415) 6.990 5.048 ( -11.096 25.134 -0.346) 27.476 7.478 ( 3.254 4.121 -0.868) 5.322 8.977 ( 2.070 7.468 1.224) 7.846 9.191 ( 15.954 -1.784 -1.665) 16.140 9.875 ( -5.453 -3.210 -0.196) 6.330 10.103 ( -7.850 3.826 0.386) 8.741 11.007 ( -9.175 2.582 -3.145) 10.037 14.460 ( 6.801 -8.817 4.381) 11.966 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -6.056 7.509 -0.090) 9.647 2.821 ( -3.993 -1.447 -4.164) 5.948 3.649 ( 5.465 -0.058 -9.035) 10.559 4.612 ( -0.340 -3.322 7.073) 7.822 5.042 ( -16.890 22.219 -0.484) 27.914 7.495 ( -3.010 -0.833 -0.616) 3.183 8.993 ( -4.591 0.479 1.230) 4.777 9.344 ( 5.124 -12.624 -0.986) 13.660 9.792 ( 0.117 8.540 -0.591) 8.561 10.105 ( -1.379 9.127 -0.105) 9.231 10.941 ( -1.902 4.165 -2.808) 5.371 14.531 ( 9.233 -7.130 4.470) 12.493 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -7.424 5.481 0.364) 9.236 2.711 ( -6.312 -1.040 -2.676) 6.934 3.663 ( 0.625 -2.910 -7.779) 8.329 4.607 ( 0.362 -1.846 4.623) 4.991 4.907 ( -21.282 16.868 0.264) 27.157 7.352 ( -11.073 -4.276 0.294) 11.873 8.860 ( -7.607 -6.125 1.755) 9.923 9.146 ( -9.879 -11.559 1.536) 15.283 10.015 ( 6.342 13.045 -1.788) 14.615 10.200 ( 4.991 9.983 -6.870) 13.106 11.012 ( 6.913 2.971 0.953) 7.585 14.657 ( 11.130 -5.053 3.357) 12.676 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.000 9.467 5.376) 10.887 2.164 ( -0.000 13.195 15.332) 20.228 2.828 ( 0.000 14.057 12.337) 18.703 2.831 ( 0.000 24.071 -3.195) 24.282 4.145 ( 0.000 31.371 -6.635) 32.065 4.604 ( 0.000 24.610 -4.175) 24.961 7.765 ( 0.000 11.403 1.492) 11.500 9.242 ( -0.000 -14.649 2.446) 14.851 10.144 ( -0.000 -6.117 -1.066) 6.209 10.414 ( 0.000 11.699 -24.331) 26.997 13.325 ( -0.000 -29.963 16.842) 34.371 14.873 ( 0.000 6.755 -17.693) 18.939 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 3.252 7.734 3.255) 8.999 2.334 ( 0.583 11.766 13.421) 17.858 3.007 ( 2.722 10.140 6.690) 12.449 3.165 ( 10.915 25.736 -1.786) 28.011 4.308 ( 1.874 9.663 -12.306) 15.758 5.065 ( 9.727 46.623 1.971) 47.668 7.920 ( 3.754 13.114 1.282) 13.701 9.043 ( -7.213 -13.707 0.392) 15.494 10.090 ( 0.987 -4.609 -0.663) 4.760 10.452 ( 2.954 2.400 -19.071) 19.447 13.040 ( -4.074 -31.199 16.579) 35.565 14.853 ( -3.608 5.377 -16.012) 17.271 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 5.328 7.862 2.140) 9.735 2.500 ( 1.846 10.209 11.600) 15.562 3.133 ( 2.293 4.584 -0.466) 5.147 3.657 ( 16.257 26.423 -1.167) 31.045 4.413 ( 3.766 9.827 -8.056) 13.253 5.740 ( 16.268 41.793 1.630) 44.878 8.153 ( 6.735 14.915 1.637) 16.447 8.768 ( -10.331 -9.480 -1.454) 14.096 10.089 ( 2.355 -1.412 -0.874) 2.881 10.427 ( 1.907 -5.353 -14.402) 15.483 12.682 ( -7.755 -30.791 14.399) 34.865 14.758 ( -6.708 2.218 -12.628) 14.470 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 5.196 9.124 1.326) 10.583 2.667 ( 3.595 7.589 10.414) 13.378 3.180 ( 1.680 1.411 -6.657) 7.009 4.174 ( 14.006 24.258 -1.990) 28.082 4.589 ( 6.292 12.390 -1.526) 13.979 6.400 ( 17.805 31.551 0.958) 36.241 8.425 ( 5.535 12.757 2.172) 14.074 8.551 ( -4.981 -0.759 -1.506) 5.259 10.114 ( 0.408 0.571 -3.944) 4.006 10.350 ( 1.830 -6.684 -8.885) 11.268 12.267 ( -11.393 -28.132 10.370) 32.074 14.604 ( -7.281 -2.142 -8.054) 11.066 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 2.750 10.706 0.728) 11.077 2.819 ( 4.039 3.206 8.268) 9.745 3.204 ( 3.157 1.633 -9.636) 10.270 4.514 ( 5.612 11.093 -1.324) 12.503 4.891 ( 7.983 23.502 1.743) 24.882 6.935 ( 14.301 20.309 0.568) 24.846 8.445 ( 1.368 0.763 0.401) 1.617 8.745 ( 6.625 15.454 1.590) 16.889 10.042 ( -2.737 -6.134 -8.346) 10.713 10.359 ( 2.051 3.723 -2.221) 4.796 11.823 ( -14.046 -22.118 5.518) 26.775 14.438 ( -4.629 -6.798 -3.407) 8.902 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -0.549 11.733 0.406) 11.753 2.895 ( 1.580 -0.904 2.694) 3.252 3.282 ( 6.557 2.774 -8.053) 10.749 4.626 ( 1.297 1.820 2.113) 3.076 5.250 ( 1.438 29.829 0.641) 29.870 7.277 ( 8.424 10.471 0.307) 13.442 8.580 ( 11.061 3.456 1.416) 11.674 8.979 ( 3.933 11.604 1.428) 12.335 9.903 ( -1.173 -8.640 -7.427) 11.454 10.416 ( -4.085 9.300 0.628) 10.177 11.424 ( -13.280 -12.010 0.614) 17.916 14.309 ( 0.302 -10.358 0.253) 10.365 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -3.871 11.175 0.073) 11.827 2.891 ( -0.363 -1.260 -1.463) 1.965 3.409 ( 7.746 1.780 -6.861) 10.500 4.633 ( -0.591 -2.609 4.530) 5.261 5.498 ( -7.841 31.083 -0.223) 32.058 7.449 ( 4.543 3.171 0.097) 5.541 8.854 ( 15.557 3.248 1.243) 15.942 9.090 ( -0.580 3.712 1.324) 3.983 9.808 ( 2.049 -8.231 -5.531) 10.126 10.388 ( -11.406 12.262 3.511) 17.111 11.168 ( -9.086 -1.130 -3.420) 9.774 14.255 ( 5.659 -11.592 2.331) 13.108 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.092 7.272 -0.122) 9.487 2.864 ( -2.603 2.090 -2.451) 4.142 3.521 ( 6.574 -0.009 -7.458) 9.942 4.601 ( -0.540 -4.233 5.912) 7.291 5.583 ( -16.555 28.613 -0.516) 33.061 7.503 ( 1.001 -1.667 0.037) 1.945 9.024 ( -0.458 -9.819 0.687) 9.854 9.147 ( 8.236 5.708 1.546) 10.139 9.768 ( 3.575 -5.426 -4.805) 8.081 10.359 ( -9.722 18.344 4.555) 21.255 11.037 ( -6.375 1.831 -4.499) 8.015 14.288 ( 9.897 -10.431 2.711) 14.632 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( -6.804 3.952 0.763) 7.905 2.816 ( -6.066 4.027 -2.265) 7.625 3.577 ( 3.630 -1.736 -7.870) 8.839 4.581 ( 0.903 -3.655 5.722) 6.849 5.491 ( -23.584 22.247 -0.261) 32.422 7.451 ( -4.410 -3.476 0.223) 5.620 8.864 ( -4.359 -12.637 1.832) 13.493 9.212 ( -4.632 -1.896 1.044) 5.113 9.874 ( 13.056 3.813 -7.006) 15.299 10.423 ( -8.306 19.522 3.352) 21.479 10.964 ( -0.201 -0.656 -2.047) 2.159 14.396 ( 12.523 -8.090 1.584) 14.992 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 6.266 1.605) 6.468 2.478 ( -0.000 10.128 12.799) 16.322 3.093 ( 0.000 7.961 1.920) 8.189 3.307 ( 0.000 24.848 -1.564) 24.897 4.351 ( 0.000 9.634 -10.613) 14.333 5.466 ( 0.000 48.485 1.848) 48.520 8.019 ( 0.000 13.653 0.131) 13.654 8.984 ( -0.000 -10.730 -1.523) 10.838 10.028 ( -0.000 -5.068 -0.021) 5.068 10.381 ( 0.000 -1.881 -14.663) 14.783 12.808 ( -0.000 -32.600 15.358) 36.037 14.891 ( 0.000 4.755 -14.307) 15.076 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 4.268 5.906 0.906) 7.343 2.609 ( 0.486 8.300 12.053) 14.642 3.153 ( 0.181 4.358 -4.207) 6.060 3.647 ( 11.944 23.736 -1.142) 26.597 4.442 ( 2.139 10.857 -6.535) 12.851 5.980 ( 6.160 43.100 1.141) 43.553 8.197 ( 4.922 14.279 -0.162) 15.104 8.831 ( -6.658 -6.184 -3.868) 9.876 10.014 ( 3.149 -2.885 0.210) 4.276 10.312 ( 0.640 -6.287 -9.774) 11.639 12.503 ( -3.207 -32.632 13.210) 35.350 14.848 ( -4.840 2.639 -11.921) 13.134 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 7.347 6.468 0.733) 9.816 2.730 ( 1.246 5.808 11.502) 12.945 3.165 ( -0.079 2.583 -8.717) 9.093 4.127 ( 16.811 21.820 -1.365) 27.579 4.598 ( 5.446 11.293 -1.809) 12.667 6.497 ( 9.448 33.719 0.490) 35.021 8.451 ( 7.370 13.752 0.384) 15.607 8.653 ( -7.691 0.551 -4.212) 8.786 10.061 ( 3.369 -1.638 -3.283) 4.981 10.234 ( 1.879 -6.250 -3.731) 7.518 12.149 ( -5.709 -30.878 10.287) 33.043 14.709 ( -8.862 -0.494 -9.058) 12.682 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 7.904 7.752 0.530) 11.084 2.827 ( 1.573 1.988 9.743) 10.067 3.166 ( 0.640 3.297 -9.639) 10.207 4.515 ( 6.963 11.784 -1.359) 13.755 4.905 ( 15.295 18.661 1.122) 24.154 6.942 ( 9.701 22.730 0.253) 24.715 8.502 ( -5.020 3.989 -1.855) 6.675 8.776 ( 7.754 14.733 0.183) 16.650 9.987 ( -2.714 -8.275 -6.913) 11.119 10.317 ( 7.678 4.338 0.587) 8.838 11.781 ( -7.242 -26.260 7.063) 28.141 14.498 ( -10.093 -4.177 -5.919) 12.424 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 5.438 9.650 0.284) 11.081 2.873 ( 0.956 -1.206 4.838) 5.077 3.204 ( 2.875 3.479 -6.613) 8.006 4.635 ( 0.772 3.004 0.742) 3.190 5.400 ( 14.539 25.373 0.595) 29.249 7.252 ( 6.541 11.480 0.196) 13.214 8.522 ( 1.890 7.146 0.025) 7.392 9.021 ( 4.985 11.132 0.724) 12.219 9.824 ( -3.192 -9.582 -5.725) 11.609 10.511 ( 5.391 10.017 0.284) 11.380 11.455 ( -6.936 -17.706 3.554) 19.345 14.271 ( -7.392 -7.815 -2.760) 11.106 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -0.268 1.674 -1.001) 1.969 2.903 ( 0.765 8.296 2.007) 8.569 3.285 ( 5.756 0.997 -4.623) 7.450 4.637 ( -1.305 -1.742 2.243) 3.125 5.843 ( 4.816 29.559 0.035) 29.949 7.392 ( 3.450 0.722 0.199) 3.530 8.696 ( 8.762 7.437 1.276) 11.563 9.147 ( 0.072 4.867 1.124) 4.995 9.678 ( -0.344 -9.875 -4.873) 11.017 10.655 ( -2.665 12.673 2.318) 13.156 11.245 ( -4.445 -6.059 -1.109) 7.596 14.101 ( -1.139 -10.319 -0.140) 10.382 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -1.927 0.007 -1.517) 2.452 2.985 ( -3.677 10.595 1.334) 11.294 3.382 ( 7.045 -0.752 -5.339) 8.872 4.589 ( -1.387 -4.256 3.564) 5.722 6.109 ( -9.194 30.677 -0.362) 32.027 7.415 ( 3.963 -7.181 0.395) 8.211 8.891 ( 5.661 -0.771 0.916) 5.786 9.169 ( -0.164 5.090 2.432) 5.644 9.602 ( 4.280 -9.162 -5.047) 11.302 10.704 ( -7.300 14.976 5.064) 17.413 11.141 ( -5.493 0.696 -4.777) 7.313 14.043 ( 6.208 -10.397 1.010) 12.151 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -3.588 1.051 -0.211) 3.745 2.988 ( -6.821 7.590 0.176) 10.206 3.466 ( 5.459 -0.497 -6.476) 8.484 4.545 ( 0.289 -4.629 4.598) 6.531 6.108 ( -22.087 23.390 -0.369) 32.173 7.410 ( 3.768 -7.403 0.460) 8.319 8.830 ( -4.409 -8.626 2.009) 9.893 9.258 ( -0.055 2.896 1.216) 3.141 9.651 ( 11.734 -1.718 -5.718) 13.166 10.768 ( -5.645 17.536 6.007) 19.377 11.003 ( -8.366 -2.157 -4.898) 9.932 14.107 ( 11.471 -8.237 0.219) 14.123 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.000 4.923 0.191) 4.927 2.712 ( -0.000 5.757 12.438) 13.706 3.172 ( 0.000 3.439 -8.674) 9.331 3.756 ( 0.000 21.399 -0.899) 21.417 4.515 ( 0.000 10.942 -3.991) 11.647 6.338 ( 0.000 38.273 0.261) 38.274 8.283 ( 0.000 13.228 -1.458) 13.308 8.836 ( 0.000 -1.109 -6.802) 6.891 9.957 ( -0.000 -2.305 1.232) 2.614 10.221 ( -0.000 -7.149 -4.307) 8.346 12.243 ( -0.000 -33.011 11.005) 34.797 14.881 ( 0.000 1.861 -10.355) 10.521 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 5.238 4.688 0.098) 7.030 2.795 ( 0.412 2.747 12.356) 12.665 3.172 ( -0.374 3.813 -11.012) 11.659 4.064 ( 12.442 19.150 -0.735) 22.849 4.627 ( 2.356 9.460 -1.457) 9.857 6.706 ( 3.684 29.857 -0.555) 30.089 8.457 ( 6.119 12.404 -1.520) 13.915 8.779 ( -5.592 4.964 -7.569) 10.639 9.978 ( 3.135 -1.191 -0.082) 3.354 10.147 ( 0.592 -6.340 0.657) 6.401 11.934 ( -2.111 -31.741 8.461) 32.917 14.813 ( -5.974 0.230 -8.553) 10.435 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 9.145 4.945 0.156) 10.397 2.849 ( 0.477 -0.602 10.066) 10.095 3.181 ( -0.187 5.617 -9.052) 10.655 4.482 ( 12.861 14.840 -0.937) 19.660 4.799 ( 10.788 9.100 0.299) 14.117 7.033 ( 5.584 20.814 -0.641) 21.560 8.643 ( -2.202 8.980 -3.142) 9.766 8.785 ( 4.204 12.637 -3.714) 13.826 9.948 ( -2.657 -5.796 -2.111) 6.717 10.202 ( 8.547 0.901 2.856) 9.056 11.618 ( -2.840 -27.802 6.351) 28.659 14.636 ( -10.936 -1.770 -6.668) 12.930 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 10.615 5.512 -0.012) 11.961 2.863 ( 0.387 -2.160 5.610) 6.024 3.217 ( -0.199 5.935 -4.300) 7.332 4.662 ( 0.556 4.416 -0.439) 4.472 5.255 ( 24.741 15.502 0.327) 29.199 7.284 ( 4.269 12.460 -0.157) 13.172 8.641 ( -4.974 11.111 -2.514) 12.430 9.021 ( 7.192 9.954 -1.399) 12.360 9.808 ( -5.571 -6.519 -1.104) 8.646 10.420 ( 12.851 4.260 0.295) 13.542 11.353 ( -2.097 -20.211 5.078) 20.944 14.384 ( -12.971 -3.767 -4.572) 14.260 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 1.954 -0.706 0.969) 2.293 2.913 ( 8.079 5.770 0.922) 9.971 3.251 ( -0.634 3.635 -1.179) 3.873 4.659 ( -2.243 -0.648 -0.114) 2.338 5.842 ( 23.248 18.732 0.150) 29.857 7.393 ( -1.186 3.493 0.027) 3.689 8.711 ( 0.796 11.351 -0.293) 11.383 9.169 ( 2.752 3.922 -1.211) 4.942 9.637 ( -6.161 -6.945 -0.565) 9.301 10.689 ( 11.009 6.989 -1.361) 13.111 11.199 ( 0.081 -10.110 3.781) 10.795 14.121 ( -10.660 -5.387 -2.249) 12.154 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 0.059 -0.640 -0.053) 0.645 3.120 ( 4.405 10.106 1.006) 11.070 3.259 ( 1.413 -1.394 -1.568) 2.529 4.592 ( -2.796 -3.498 0.481) 4.504 6.373 ( 13.630 23.416 -0.020) 27.094 7.314 ( -4.686 -7.904 0.063) 9.189 8.848 ( 2.979 5.668 0.489) 6.422 9.223 ( 1.287 4.248 0.175) 4.442 9.476 ( -3.130 -8.244 -1.293) 8.912 10.870 ( 2.002 6.614 0.597) 6.936 11.175 ( 1.513 -0.811 -0.020) 1.717 13.934 ( -3.728 -5.814 -0.351) 6.916 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( -0.867 0.879 -0.224) 1.255 3.165 ( -6.383 3.514 2.000) 7.555 3.347 ( 7.736 2.822 -4.117) 9.206 4.516 ( -1.326 -4.547 1.779) 5.060 6.658 ( -13.419 24.043 -0.345) 27.537 7.179 ( 8.520 -15.942 0.400) 18.081 8.858 ( -3.377 -2.462 1.493) 4.438 9.300 ( -2.337 2.226 1.385) 3.512 9.434 ( 9.754 -0.515 -3.695) 10.443 10.909 ( -1.625 0.676 1.914) 2.600 11.170 ( -5.452 5.315 -1.404) 7.742 13.894 ( 4.906 -4.201 -0.151) 6.461 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 3.803 -0.076) 3.804 2.840 ( -0.000 -0.425 11.737) 11.745 3.186 ( 0.000 5.402 -10.681) 11.969 4.121 ( 0.000 16.095 -0.442) 16.101 4.690 ( 0.000 7.559 -0.666) 7.588 6.930 ( 0.000 22.533 -1.677) 22.596 8.506 ( 0.000 10.471 -2.007) 10.661 8.878 ( 0.000 10.273 -9.039) 13.684 9.952 ( -0.000 0.588 1.627) 1.730 10.089 ( -0.000 -5.700 4.090) 7.016 11.663 ( -0.000 -30.902 5.988) 31.477 14.844 ( 0.000 0.011 -7.529) 7.529 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 5.907 3.390 0.031) 6.811 2.857 ( 0.059 -2.607 9.017) 9.387 3.220 ( 0.078 6.898 -6.580) 9.533 4.381 ( 12.892 13.487 -0.368) 18.661 4.764 ( 2.006 4.605 -0.379) 5.037 7.136 ( 2.975 15.681 -1.740) 16.055 8.659 ( 6.739 9.277 -1.592) 11.576 8.928 ( -4.645 13.838 -7.523) 16.421 9.952 ( -1.980 -1.344 1.347) 2.746 10.092 ( 4.540 -2.130 4.890) 7.004 11.386 ( -0.162 -27.272 4.135) 27.584 14.762 ( -6.809 -0.606 -6.433) 9.387 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 10.287 3.125 -0.003) 10.751 2.851 ( 0.077 -3.022 5.794) 6.535 3.278 ( -0.188 6.964 -1.562) 7.140 4.685 ( 3.796 6.467 -1.300) 7.610 4.950 ( 20.785 6.274 0.106) 21.712 7.325 ( 4.199 10.460 -0.779) 11.298 8.833 ( -0.596 11.423 -2.490) 11.707 8.996 ( 2.476 10.668 -3.574) 11.520 9.870 ( -5.893 -2.048 2.339) 6.663 10.214 ( 10.992 -2.455 1.325) 11.341 11.177 ( 1.512 -19.175 3.816) 19.610 14.570 ( -12.348 -1.064 -5.147) 13.420 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 11.357 2.188 -0.328) 11.571 2.847 ( 1.450 -1.714 3.342) 4.026 3.327 ( -1.671 5.778 1.836) 6.289 4.695 ( -2.641 0.014 -2.177) 3.423 5.493 ( 30.847 8.373 0.256) 31.964 7.452 ( 0.717 5.353 -0.154) 5.403 8.877 ( -5.697 13.363 -1.251) 14.581 9.127 ( 4.376 1.881 -2.560) 5.407 9.733 ( -8.720 -2.032 2.693) 9.350 10.439 ( 18.331 -1.724 -2.119) 18.533 11.091 ( 2.887 -9.418 4.682) 10.907 14.310 ( -14.887 -0.990 -3.411) 15.305 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 1.352 -1.476 1.188) 2.328 2.995 ( 11.983 1.987 -0.856) 12.177 3.340 ( -3.798 4.679 3.821) 7.136 4.617 ( -3.835 -2.532 -2.531) 5.246 6.106 ( 31.213 7.266 0.304) 32.049 7.419 ( -8.171 -0.041 -0.304) 8.176 8.898 ( -3.135 4.808 -0.581) 5.769 9.191 ( 4.128 2.317 -2.466) 5.337 9.562 ( -9.918 -1.529 3.573) 10.653 10.748 ( 16.554 2.029 -4.590) 17.298 11.096 ( 3.847 -4.899 5.209) 8.120 14.054 ( -12.962 -0.038 -1.332) 13.030 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.000 2.525 0.159) 2.530 2.851 ( -0.000 -3.442 7.404) 8.165 3.275 ( 0.000 7.443 -2.484) 7.847 4.376 ( 0.000 9.951 -0.067) 9.952 4.785 ( 0.000 2.622 -1.083) 2.837 7.235 ( 0.000 11.234 -1.564) 11.342 8.669 ( 0.000 7.225 -0.639) 7.254 9.095 ( 0.000 15.415 -6.870) 16.876 9.981 ( 0.000 1.192 0.377) 1.251 10.042 ( -0.000 -3.428 6.723) 7.547 11.137 ( -0.000 -24.211 2.221) 24.313 14.799 ( 0.000 -0.218 -5.974) 5.978 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( 6.200 1.862 0.241) 6.478 2.837 ( -0.023 -3.436 5.825) 6.763 3.348 ( 0.029 7.324 1.721) 7.524 4.584 ( 13.667 7.410 -0.204) 15.547 4.799 ( 1.189 -0.143 -1.943) 2.282 7.351 ( 2.709 8.007 -0.274) 8.457 8.804 ( 7.648 6.094 -0.109) 9.779 9.181 ( -5.200 14.702 -4.011) 16.102 9.956 ( -3.704 0.308 1.377) 3.964 10.050 ( 3.733 -5.985 2.509) 7.486 10.966 ( 3.265 -15.992 2.090) 16.455 14.720 ( -7.097 0.183 -5.333) 8.880 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 10.537 0.991 -0.033) 10.584 2.823 ( 0.398 -2.935 4.415) 5.317 3.419 ( -1.027 6.321 4.641) 7.909 4.728 ( -1.969 0.054 -3.769) 4.252 5.041 ( 27.024 2.498 0.379) 27.142 7.465 ( 2.818 4.271 0.460) 5.138 9.000 ( 7.807 5.119 -1.222) 9.415 9.177 ( -9.468 9.873 -0.153) 13.680 9.862 ( -6.503 -2.192 1.088) 6.949 10.115 ( 12.678 -5.136 -0.814) 13.703 10.948 ( 5.615 -6.633 3.107) 9.229 14.541 ( -12.586 1.145 -4.189) 13.314 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 8.661 -1.491 -0.336) 8.795 2.841 ( 4.886 -1.142 2.645) 5.673 3.458 ( -2.808 4.891 6.182) 8.368 4.650 ( -3.809 -2.021 -4.754) 6.418 5.579 ( 33.084 -0.038 0.457) 33.088 7.504 ( -1.548 0.063 -0.046) 1.550 9.031 ( -8.979 -3.987 -0.836) 9.860 9.158 ( 2.705 8.442 -1.020) 8.924 9.730 ( -7.811 0.010 3.592) 8.598 10.395 ( 21.969 0.779 -3.499) 22.259 10.998 ( 4.051 -4.131 3.951) 7.006 14.311 ( -14.943 2.974 -2.362) 15.418 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 0.000 1.006 0.478) 1.114 2.819 ( -0.000 -3.665 5.530) 6.634 3.431 ( 0.000 7.378 5.160) 9.003 4.508 ( 0.000 3.494 0.200) 3.500 4.784 ( 0.000 -1.003 -3.534) 3.673 7.397 ( 0.000 5.723 1.143) 5.836 8.784 ( 0.000 4.152 1.715) 4.492 9.361 ( 0.000 14.415 -2.200) 14.582 9.967 ( -0.000 -9.188 2.215) 9.452 9.984 ( 0.000 -0.781 -1.732) 1.900 10.811 ( -0.000 -8.459 1.909) 8.672 14.770 ( 0.000 1.011 -5.355) 5.449 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 6.105 0.081 0.408) 6.119 2.799 ( 0.157 -3.809 4.783) 6.117 3.515 ( -0.718 6.471 7.576) 9.989 4.667 ( 15.472 0.926 0.009) 15.500 4.747 ( -0.629 -2.590 -4.603) 5.319 7.459 ( 1.755 2.100 1.714) 3.229 8.891 ( 7.185 1.994 1.513) 7.608 9.446 ( -6.981 12.981 2.543) 14.956 9.825 ( -0.723 -12.777 -5.157) 13.797 9.991 ( 2.229 -0.274 1.183) 2.539 10.823 ( 4.580 -0.423 2.265) 5.127 14.711 ( -6.778 2.201 -4.901) 8.649 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 9.822 -1.362 -0.138) 9.917 2.784 ( 1.239 -3.753 3.716) 5.425 3.569 ( -2.263 4.446 8.423) 9.790 4.671 ( -2.815 -2.046 -5.893) 6.844 5.038 ( 27.664 -3.373 0.425) 27.872 7.489 ( 1.267 -2.698 0.770) 3.078 9.004 ( 3.942 -3.637 -1.056) 5.466 9.328 ( -12.354 -0.170 2.600) 12.626 9.791 ( 2.942 1.634 -0.219) 3.373 10.106 ( 11.408 2.937 -0.412) 11.787 10.918 ( 3.967 1.339 2.169) 4.716 14.568 ( -11.637 4.103 -3.643) 12.866 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -0.000 -0.766 0.598) 0.972 2.771 ( -0.000 -4.626 4.534) 6.478 3.609 ( -0.000 5.471 9.557) 11.012 4.514 ( -0.000 -3.047 0.325) 3.064 4.721 ( 0.000 -2.017 -5.853) 6.190 7.453 ( -0.000 -1.897 2.007) 2.761 8.843 ( -0.000 -0.135 3.124) 3.126 9.654 ( 0.000 12.933 -2.429) 13.159 9.700 ( -0.000 -13.420 3.975) 13.996 9.932 ( 0.000 -2.646 -3.010) 4.007 10.824 ( 0.000 6.605 1.570) 6.789 14.779 ( 0.000 3.301 -5.252) 6.203 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 5.671 -1.918 0.342) 5.997 2.737 ( 0.440 -5.385 3.730) 6.565 3.667 ( -1.582 2.651 9.561) 10.047 4.604 ( 13.963 -7.045 0.123) 15.640 4.680 ( 0.739 -0.606 -5.814) 5.892 7.423 ( 1.012 -7.300 0.868) 7.420 8.883 ( 4.741 -4.210 1.538) 6.524 9.441 ( -8.135 -17.074 -2.294) 19.052 9.802 ( 0.757 14.240 0.809) 14.283 10.007 ( 6.689 3.529 4.049) 8.578 10.924 ( 1.492 8.596 0.265) 8.729 14.751 ( -6.014 4.906 -4.815) 9.134 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.000 -2.766 0.401) 2.795 2.685 ( -0.000 -6.778 3.278) 7.529 3.718 ( -0.000 -1.218 8.504) 8.591 4.392 ( -0.000 -9.565 0.278) 9.569 4.665 ( 0.000 0.468 -5.004) 5.026 7.315 ( -0.000 -13.282 -0.106) 13.282 8.793 ( -0.000 -7.058 2.004) 7.337 9.312 ( -0.000 -17.794 -6.335) 18.888 9.872 ( 0.000 -1.159 -1.977) 2.292 10.099 ( 0.000 22.487 14.032) 26.506 11.018 ( 0.000 12.165 -2.006) 12.329 14.839 ( 0.000 6.011 -5.359) 8.053 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.000 -0.000 23.421) 23.421 0.923 ( -0.000 -0.000 23.421) 23.421 1.980 ( -0.000 -0.000 52.361) 52.361 2.199 ( 0.000 0.000 -7.017) 7.017 2.199 ( 0.000 0.000 -7.017) 7.017 5.320 ( 0.000 0.000 -22.275) 22.275 7.415 ( -0.000 -0.000 2.557) 2.557 7.415 ( -0.000 -0.000 2.557) 2.557 10.388 ( 0.000 0.000 -1.726) 1.726 10.388 ( 0.000 0.000 -1.726) 1.726 14.027 ( -0.000 -0.000 1.683) 1.683 14.955 ( 0.000 0.000 -0.608) 0.608 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 12.505 7.220 19.488) 24.254 1.385 ( 20.818 12.019 19.503) 30.955 2.225 ( 8.484 4.898 37.995) 39.238 2.235 ( 5.418 3.128 -7.073) 9.443 2.448 ( 24.865 14.356 -0.882) 28.725 4.837 ( -19.175 -11.070 -9.753) 24.194 7.458 ( 3.055 1.764 2.492) 4.319 8.555 ( 67.046 38.709 -27.835) 82.270 10.221 ( -12.476 -7.203 -2.925) 14.700 10.359 ( -2.227 -1.286 -1.723) 3.095 14.023 ( -2.745 -1.585 3.846) 4.984 14.863 ( -5.738 -3.313 -4.923) 8.255 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 14.694 8.484 12.888) 21.307 1.776 ( 9.719 5.611 20.829) 23.660 2.419 ( 13.038 7.528 -5.739) 16.112 2.567 ( 13.536 7.815 20.020) 25.399 3.272 ( 43.583 25.163 2.038) 50.367 4.532 ( -6.127 -3.537 -11.105) 13.167 7.567 ( 5.917 3.416 2.212) 7.181 9.470 ( 4.874 2.814 -6.625) 8.693 10.069 ( 16.382 9.458 -23.555) 30.211 10.282 ( -3.903 -2.254 -1.653) 4.801 13.869 ( -13.402 -7.738 13.312) 20.414 14.734 ( -2.369 -1.368 -15.744) 15.980 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 9.994 5.770 6.636) 13.311 2.030 ( 8.653 4.996 18.069) 20.648 2.791 ( 20.339 11.743 -2.752) 23.646 2.920 ( 12.495 7.214 11.798) 18.638 4.174 ( 24.115 13.923 -10.427) 29.734 4.577 ( 23.101 13.337 -1.537) 26.719 7.738 ( 8.656 4.998 1.785) 10.153 9.158 ( -19.129 -11.044 1.149) 22.118 10.181 ( -4.448 -2.568 -1.473) 5.343 10.492 ( 17.173 9.915 -23.452) 30.712 13.518 ( -21.335 -12.318 17.572) 30.261 14.656 ( -0.154 -0.089 -18.006) 18.007 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 6.929 4.000 2.781) 8.471 2.298 ( 10.801 6.236 13.613) 18.463 3.167 ( 6.937 4.005 3.412) 8.707 3.274 ( 21.851 12.616 -0.921) 25.248 4.365 ( 7.426 4.288 -11.598) 14.424 5.448 ( 40.969 23.654 2.586) 47.378 7.965 ( 10.809 6.241 1.210) 12.540 8.772 ( -13.977 -8.070 0.568) 16.149 10.082 ( -3.806 -2.198 -1.088) 4.528 10.648 ( 3.183 1.838 -18.529) 18.890 13.021 ( -26.610 -15.363 13.614) 33.607 14.616 ( 0.483 0.279 -10.970) 10.984 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 5.348 3.088 0.952) 6.248 2.590 ( 11.373 6.566 9.998) 16.505 3.267 ( 3.013 1.740 -5.534) 6.537 3.740 ( 19.077 11.014 -0.402) 22.032 4.522 ( 7.863 4.539 -4.593) 10.175 6.290 ( 31.834 18.379 1.701) 36.798 8.224 ( 11.642 6.721 0.373) 13.448 8.575 ( -2.781 -1.605 0.699) 3.286 10.008 ( -2.392 -1.381 -0.368) 2.786 10.576 ( -3.886 -2.243 -15.452) 16.091 12.411 ( -29.656 -17.122 7.343) 35.022 14.608 ( 0.434 0.251 -2.750) 2.795 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 4.012 2.316 0.053) 4.633 2.841 ( 7.742 4.470 6.721) 11.184 3.311 ( 4.166 2.405 -11.518) 12.482 4.119 ( 14.315 8.265 -0.329) 16.533 4.657 ( 4.114 2.375 0.829) 4.822 6.874 ( 19.758 11.407 0.765) 22.828 8.479 ( 10.697 6.176 -0.794) 12.377 8.666 ( 10.016 5.783 1.282) 11.636 9.971 ( -1.062 -0.613 0.734) 1.429 10.417 ( -5.892 -3.402 -12.167) 13.940 11.756 ( -28.787 -16.620 2.732) 33.353 14.615 ( 0.139 0.080 2.605) 2.610 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 2.565 1.481 -0.406) 2.989 2.949 ( 0.936 0.541 0.354) 1.138 3.417 ( 8.135 4.697 -11.537) 14.877 4.380 ( 8.794 5.077 -0.336) 10.160 4.707 ( -0.246 -0.142 4.502) 4.511 7.224 ( 12.063 6.965 -0.737) 13.949 8.691 ( 8.187 4.727 -2.087) 9.681 8.976 ( 15.479 8.937 1.697) 17.954 9.957 ( -0.750 -0.433 1.996) 2.176 10.242 ( -7.271 -4.198 -7.784) 11.449 11.177 ( -21.418 -12.365 -0.011) 24.731 14.630 ( 0.235 0.136 5.192) 5.199 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.976 0.563 -0.604) 1.279 2.915 ( -2.725 -1.573 -4.550) 5.532 3.577 ( 8.215 4.743 -10.440) 14.106 4.513 ( 3.081 1.779 -0.332) 3.573 4.690 ( -2.350 -1.357 6.784) 7.306 7.428 ( 6.090 3.516 -2.030) 7.320 8.829 ( 4.571 2.639 -3.019) 6.081 9.329 ( 14.829 8.562 1.377) 17.179 9.940 ( -1.574 -0.909 2.929) 3.447 10.012 ( -11.865 -6.850 -2.968) 14.018 10.850 ( -6.598 -3.809 -2.070) 7.895 14.662 ( 1.188 0.686 6.141) 6.292 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -0.699 -0.403 -0.602) 1.007 2.816 ( -4.526 -2.613 -5.282) 7.430 3.700 ( 4.934 2.849 -10.288) 11.760 4.517 ( -2.638 -1.523 -0.313) 3.063 4.661 ( -1.748 -1.009 7.301) 7.574 7.470 ( -2.140 -1.236 -1.613) 2.951 8.871 ( -0.202 -0.117 -3.065) 3.074 9.586 ( -2.703 -1.560 8.527) 9.080 9.784 ( 3.876 2.238 -10.634) 11.537 9.904 ( -2.207 -1.274 3.001) 3.937 10.838 ( 4.817 2.781 -1.488) 5.758 14.727 ( 3.053 1.763 6.198) 7.131 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.000 16.787 18.275) 24.815 1.379 ( 0.000 26.323 18.165) 31.982 2.217 ( 0.000 6.808 -8.207) 10.663 2.300 ( -0.000 8.332 21.005) 22.598 2.461 ( 0.000 24.895 17.315) 30.325 4.806 ( -0.000 -20.822 -12.588) 24.332 7.463 ( 0.000 3.559 2.470) 4.333 8.462 ( 0.000 71.984 -22.780) 75.502 10.240 ( -0.000 -11.591 -3.598) 12.136 10.345 ( -0.000 -3.054 -1.672) 3.482 14.030 ( -0.000 -3.250 3.695) 4.921 14.852 ( -0.000 -7.197 -4.446) 8.459 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 3.728 17.822 14.221) 23.104 1.770 ( 8.236 14.123 17.059) 23.628 2.340 ( 6.660 12.661 -6.992) 15.924 2.529 ( 7.863 9.352 21.253) 24.515 3.011 ( 23.179 37.646 7.453) 44.834 4.548 ( -5.428 -8.322 -12.981) 16.347 7.542 ( 3.076 5.470 2.293) 6.681 9.264 ( 22.947 33.011 -16.129) 43.318 10.031 ( -6.431 -3.075 -11.820) 13.804 10.298 ( -1.257 -3.364 -2.037) 4.129 13.949 ( -4.511 -11.822 10.255) 16.288 14.737 ( -3.516 -2.265 -12.307) 12.999 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 5.423 11.951 8.387) 15.575 2.035 ( 5.370 8.937 16.647) 19.642 2.658 ( 13.458 19.853 -3.555) 24.247 2.839 ( 10.544 8.650 15.454) 20.612 3.877 ( 29.848 31.687 -2.475) 43.602 4.452 ( 4.559 6.067 -9.590) 12.230 7.687 ( 5.638 7.653 2.062) 9.727 9.320 ( -13.370 -14.419 2.043) 19.769 10.178 ( 5.483 2.692 -8.325) 10.325 10.278 ( 8.885 12.153 -17.463) 23.057 13.693 ( -11.952 -19.705 16.586) 28.394 14.642 ( -2.639 3.104 -18.087) 18.540 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 4.322 8.644 3.957) 10.443 2.265 ( 6.720 8.550 14.284) 17.953 3.080 ( 9.873 8.054 4.778) 13.608 3.147 ( 14.097 19.630 1.101) 24.192 4.257 ( 6.911 6.571 -13.339) 16.398 5.069 ( 35.303 31.771 2.430) 47.556 7.893 ( 7.746 9.834 1.805) 12.648 8.921 ( -15.036 -13.089 1.255) 19.974 10.123 ( -3.306 -1.972 -1.342) 4.077 10.516 ( 8.154 4.317 -18.579) 20.743 13.270 ( -18.983 -22.383 14.358) 32.672 14.595 ( -0.948 3.084 -13.423) 13.805 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 3.156 7.807 1.642) 8.580 2.521 ( 8.901 8.287 11.539) 16.764 3.210 ( 3.401 0.482 -2.648) 4.337 3.628 ( 14.527 23.079 -0.534) 27.275 4.423 ( 8.268 7.299 -6.484) 12.793 5.961 ( 32.796 26.585 1.820) 42.257 8.145 ( 8.765 11.422 1.419) 14.467 8.622 ( -7.531 -7.447 1.281) 10.668 10.053 ( -3.316 0.118 -1.136) 3.507 10.531 ( 0.310 -3.237 -15.263) 15.605 12.711 ( -24.736 -22.044 8.086) 34.105 14.583 ( 0.659 0.224 -4.971) 5.019 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.851 7.433 0.484) 7.675 2.777 ( 8.302 6.068 9.067) 13.710 3.236 ( 2.666 0.413 -9.890) 10.252 4.057 ( 10.457 20.850 -0.475) 23.330 4.607 ( 6.130 5.820 -0.697) 8.482 6.662 ( 22.685 18.380 1.310) 29.226 8.407 ( 8.083 11.143 0.818) 13.790 8.567 ( 5.273 0.316 1.769) 5.571 10.008 ( -2.596 1.318 -0.669) 2.988 10.416 ( -3.174 -4.816 -12.373) 13.651 12.074 ( -27.481 -19.500 2.857) 33.818 14.586 ( 1.778 -2.830 1.327) 3.596 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.374 6.937 -0.117) 6.948 2.931 ( 2.589 0.914 3.450) 4.409 3.297 ( 6.758 3.773 -11.122) 13.550 4.380 ( 5.349 17.596 -0.285) 18.393 4.719 ( 1.300 3.266 2.741) 4.458 7.103 ( 12.812 11.502 0.423) 17.223 8.635 ( 7.008 9.365 0.042) 11.697 8.791 ( 14.584 6.139 1.889) 15.936 9.980 ( -1.706 0.362 0.068) 1.745 10.275 ( -4.701 -3.688 -8.615) 10.484 11.455 ( -25.170 -13.941 -0.087) 28.773 14.595 ( 2.667 -4.725 4.552) 7.082 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -1.244 6.195 -0.412) 6.332 2.924 ( -1.665 -1.749 -3.336) 4.118 3.448 ( 8.554 4.565 -8.988) 13.221 4.580 ( 0.219 13.644 0.439) 13.653 4.739 ( -2.791 1.981 4.415) 5.586 7.359 ( 7.207 7.041 -1.045) 10.130 8.814 ( 3.468 8.581 -1.089) 9.319 9.133 ( 17.065 5.773 1.240) 18.057 9.947 ( -2.136 -2.609 1.914) 3.877 10.116 ( -7.475 -3.898 -4.471) 9.542 11.004 ( -15.666 -4.168 -1.871) 16.319 14.615 ( 3.752 -5.123 5.696) 8.530 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -2.905 5.181 -0.483) 5.960 2.845 ( -3.524 -2.197 -5.132) 6.602 3.593 ( 6.973 2.827 -9.373) 12.019 4.662 ( -4.300 10.104 1.719) 11.115 4.703 ( -5.040 1.674 4.454) 6.931 7.475 ( 1.212 2.308 -1.800) 3.167 8.905 ( -0.981 6.236 -1.706) 6.539 9.468 ( 17.045 3.470 -2.240) 17.538 9.778 ( -11.714 -9.523 5.018) 15.908 10.004 ( -2.976 2.419 -1.686) 4.189 10.845 ( -3.019 3.741 -2.434) 5.388 14.662 ( 5.333 -4.261 5.689) 8.886 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 13.611 11.311) 17.697 1.914 ( 0.000 17.712 14.283) 22.754 2.399 ( 0.000 17.406 -7.035) 18.774 2.630 ( -0.000 11.515 20.237) 23.284 3.264 ( 0.000 46.365 7.457) 46.961 4.473 ( 0.000 -5.622 -14.310) 15.375 7.585 ( 0.000 7.454 2.012) 7.721 9.350 ( 0.000 20.481 -5.778) 21.281 10.039 ( 0.000 5.238 -19.147) 19.851 10.253 ( -0.000 -5.184 -1.329) 5.352 13.873 ( -0.000 -18.659 12.690) 22.565 14.717 ( 0.000 1.042 -14.724) 14.761 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 2.653 10.113 6.960) 12.561 2.127 ( 1.802 13.213 12.977) 18.607 2.665 ( 9.516 23.349 -3.947) 25.521 2.844 ( 5.109 10.000 16.822) 20.226 3.855 ( 13.155 39.131 -1.031) 41.296 4.434 ( 2.586 9.617 -10.605) 14.548 7.702 ( 3.302 9.519 1.771) 10.230 9.347 ( -5.946 -13.924 3.149) 15.464 10.122 ( 2.935 11.450 -14.606) 18.789 10.230 ( 3.567 3.190 -9.846) 10.947 13.659 ( -4.866 -25.453 16.104) 30.510 14.678 ( -2.488 5.571 -17.722) 18.743 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 3.734 8.638 3.819) 10.156 2.320 ( 2.882 10.992 11.845) 16.414 3.046 ( 5.580 7.372 7.921) 12.175 3.129 ( 14.378 24.826 -0.353) 28.691 4.192 ( 5.209 9.939 -12.742) 16.979 4.925 ( 22.964 39.666 1.587) 45.861 7.892 ( 5.992 11.959 1.784) 13.495 9.021 ( -12.669 -15.715 1.001) 20.210 10.129 ( -0.354 -2.640 -1.036) 2.858 10.381 ( 6.917 6.205 -16.925) 19.308 13.312 ( -10.451 -28.244 15.098) 33.688 14.634 ( -3.385 5.658 -15.196) 16.564 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 3.327 9.174 1.995) 9.961 2.523 ( 5.219 9.656 10.778) 15.383 3.156 ( 2.647 0.359 -0.546) 2.726 3.645 ( 14.341 27.801 -0.881) 31.294 4.357 ( 7.038 10.363 -6.862) 14.283 5.745 ( 27.362 34.770 1.489) 44.270 8.143 ( 7.475 14.205 1.917) 16.166 8.688 ( -10.187 -10.746 0.607) 14.820 10.095 ( -1.502 -0.073 -1.506) 2.128 10.426 ( 2.589 -3.168 -13.026) 13.653 12.847 ( -16.470 -27.437 9.994) 33.525 14.584 ( -2.499 1.726 -8.397) 8.930 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 1.751 10.033 0.852) 10.220 2.743 ( 6.635 7.181 10.039) 14.013 3.169 ( 1.721 -0.829 -8.052) 8.275 4.121 ( 10.444 25.777 -1.117) 27.835 4.575 ( 6.814 10.941 -0.887) 12.920 6.484 ( 23.316 25.336 1.071) 34.448 8.412 ( 5.917 12.288 2.133) 13.805 8.519 ( -0.021 -1.561 1.227) 1.986 10.063 ( -2.479 0.964 -2.693) 3.785 10.364 ( -0.286 -4.432 -9.636) 10.610 12.292 ( -21.322 -23.767 4.260) 32.212 14.534 ( -0.366 -3.549 -1.730) 3.965 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -0.224 10.458 0.231) 10.463 2.907 ( 3.189 1.507 6.571) 7.458 3.195 ( 5.132 2.636 -10.453) 11.939 4.473 ( 5.856 17.441 -0.403) 18.402 4.778 ( 2.116 14.683 1.707) 14.933 7.011 ( 14.466 16.103 0.792) 21.661 8.547 ( 9.438 1.303 2.525) 9.857 8.716 ( 6.672 14.101 1.351) 15.658 10.002 ( -2.248 -2.690 -4.209) 5.478 10.301 ( -2.640 1.236 -5.186) 5.949 11.716 ( -22.601 -17.299 0.130) 28.462 14.495 ( 2.259 -7.733 2.519) 8.441 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -2.296 10.284 -0.062) 10.537 2.920 ( -0.917 -1.900 -1.394) 2.529 3.327 ( 7.994 4.300 -6.950) 11.432 4.650 ( 2.462 4.256 2.644) 5.583 4.944 ( -4.907 22.788 0.720) 23.321 7.316 ( 7.524 9.538 0.129) 12.149 8.788 ( 12.496 4.663 2.184) 13.515 8.955 ( 7.505 9.441 0.902) 12.094 9.929 ( 0.090 -5.171 -3.755) 6.391 10.235 ( -8.175 3.932 -1.164) 9.146 11.236 ( -17.846 -7.379 -2.377) 19.457 14.480 ( 4.865 -9.709 4.377) 11.709 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -4.333 9.395 -0.109) 10.346 2.862 ( -2.462 -1.649 -4.204) 5.143 3.473 ( 7.234 2.617 -7.106) 10.473 4.687 ( 0.260 -2.189 5.207) 5.654 5.045 ( -11.235 24.861 -0.374) 27.284 7.471 ( 2.810 4.432 -0.737) 5.299 8.989 ( 1.233 8.477 1.299) 8.664 9.180 ( 14.916 -2.293 -0.834) 15.114 9.871 ( -1.670 -5.588 -0.693) 5.873 10.108 ( -9.695 6.600 0.734) 11.751 10.977 ( -9.034 1.992 -3.360) 9.843 14.501 ( 7.249 -9.538 4.578) 12.825 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 7.372 4.020) 8.397 2.285 ( 0.000 13.152 10.953) 17.115 2.802 ( 0.000 25.333 -3.221) 25.536 2.950 ( -0.000 9.118 14.388) 17.034 4.073 ( 0.000 21.893 -9.264) 23.772 4.572 ( 0.000 34.171 -2.837) 34.289 7.776 ( 0.000 11.005 1.036) 11.054 9.265 ( -0.000 -16.216 2.371) 16.388 10.136 ( -0.000 -5.857 -0.598) 5.888 10.214 ( 0.000 15.016 -19.297) 24.451 13.476 ( -0.000 -29.692 16.216) 33.831 14.713 ( 0.000 7.484 -17.354) 18.899 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 3.410 6.560 2.149) 7.699 2.441 ( 0.437 11.779 9.628) 15.220 3.073 ( 1.609 4.825 7.648) 9.185 3.149 ( 11.263 26.184 -1.784) 28.560 4.198 ( 2.243 11.072 -11.714) 16.273 5.081 ( 9.849 47.114 1.569) 48.158 7.930 ( 4.118 12.704 0.702) 13.373 9.042 ( -7.425 -15.379 -0.716) 17.093 10.087 ( 0.882 -4.227 -0.181) 4.322 10.304 ( 3.244 4.953 -13.083) 14.361 13.184 ( -4.323 -31.873 14.952) 35.470 14.710 ( -3.106 6.971 -15.250) 17.053 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 5.435 7.249 1.426) 9.172 2.595 ( 1.758 10.464 9.005) 13.917 3.128 ( 0.857 0.137 -0.638) 1.077 3.647 ( 16.286 26.364 -1.161) 31.011 4.347 ( 5.165 12.631 -6.195) 14.987 5.752 ( 16.173 41.443 1.121) 44.501 8.165 ( 7.277 14.645 0.925) 16.380 8.753 ( -9.781 -10.708 -1.796) 14.614 10.081 ( 1.676 -1.661 -0.932) 2.537 10.322 ( 1.857 -3.083 -8.610) 9.332 12.800 ( -8.782 -31.658 11.440) 34.788 14.650 ( -5.270 3.528 -10.847) 12.565 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( 5.079 8.840 0.876) 10.233 2.760 ( 3.461 7.897 9.584) 12.892 3.117 ( 0.495 -1.121 -7.116) 7.220 4.158 ( 13.724 23.754 -1.500) 27.474 4.578 ( 7.775 14.553 -0.801) 16.519 6.408 ( 17.794 31.284 0.613) 35.995 8.442 ( 5.717 12.071 1.440) 13.434 8.540 ( -3.718 -1.080 -0.889) 3.972 10.076 ( -0.748 -2.024 -4.037) 4.577 10.292 ( 2.047 -2.533 -4.168) 5.289 12.344 ( -13.095 -28.503 6.645) 32.063 14.542 ( -5.194 -1.826 -5.480) 7.768 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 2.631 10.644 0.378) 10.971 2.897 ( 2.384 1.746 8.784) 9.268 3.115 ( 3.221 2.203 -9.954) 10.692 4.505 ( 6.429 12.076 -0.672) 13.697 4.904 ( 8.042 23.304 1.155) 24.680 6.940 ( 14.331 20.103 0.409) 24.692 8.453 ( 2.238 0.184 1.213) 2.552 8.759 ( 6.870 15.370 1.369) 16.891 9.977 ( -2.774 -7.107 -5.683) 9.513 10.343 ( 1.842 6.093 -1.430) 6.524 11.858 ( -15.944 -22.038 2.050) 27.278 14.418 ( -2.572 -7.304 -0.840) 7.789 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.646 11.791 0.168) 11.810 2.912 ( -0.688 -2.126 0.773) 2.365 3.221 ( 6.919 3.911 -5.077) 9.431 4.643 ( 2.350 2.503 1.633) 3.802 5.255 ( 1.170 29.448 0.381) 29.474 7.280 ( 8.406 10.338 0.291) 13.328 8.596 ( 11.360 3.066 2.137) 11.959 8.993 ( 3.900 11.553 1.617) 12.300 9.846 ( -0.882 -8.576 -5.055) 9.994 10.420 ( -3.479 10.788 0.335) 11.340 11.418 ( -14.973 -12.192 -1.749) 19.388 14.320 ( 1.767 -11.173 2.094) 11.504 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -3.890 11.015 0.119) 11.682 2.873 ( -1.519 -0.631 -2.419) 2.925 3.357 ( 6.987 1.910 -4.594) 8.578 4.669 ( 0.441 -2.425 3.458) 4.246 5.496 ( -8.038 30.963 -0.251) 31.990 7.450 ( 4.375 3.290 0.129) 5.475 8.866 ( 15.065 2.644 1.276) 15.348 9.106 ( -0.686 4.300 2.080) 4.826 9.764 ( 2.618 -8.466 -4.178) 9.797 10.417 ( -10.951 13.649 2.850) 17.730 11.132 ( -9.664 -1.708 -4.344) 10.733 14.280 ( 6.375 -12.467 3.084) 14.338 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 5.576 0.747) 5.626 2.577 ( 0.000 10.849 8.527) 13.799 3.113 ( -0.000 1.997 2.576) 3.259 3.293 ( 0.000 25.281 -1.505) 25.326 4.260 ( 0.000 12.393 -8.958) 15.292 5.481 ( 0.000 48.121 1.293) 48.139 8.018 ( 0.000 13.082 -0.406) 13.089 8.960 ( -0.000 -12.694 -3.770) 13.242 10.030 ( -0.000 -4.659 0.486) 4.684 10.280 ( 0.000 0.850 -7.414) 7.463 12.940 ( -0.000 -33.756 13.615) 36.398 14.763 ( 0.000 6.538 -13.812) 15.281 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 4.484 5.534 0.351) 7.132 2.705 ( 0.378 9.655 8.383) 12.792 3.117 ( -0.200 -0.563 -3.405) 3.457 3.637 ( 11.967 23.931 -1.014) 26.776 4.390 ( 2.786 13.342 -4.730) 14.427 5.988 ( 6.159 42.578 0.536) 43.024 8.193 ( 5.401 13.761 -0.725) 14.801 8.788 ( -5.983 -7.732 -5.457) 11.196 10.016 ( 2.520 -2.799 0.342) 3.782 10.255 ( 0.291 -3.738 -2.829) 4.697 12.614 ( -3.549 -34.000 11.051) 35.927 14.742 ( -4.316 4.184 -11.193) 12.705 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 7.517 6.221 0.393) 9.765 2.830 ( 1.034 7.216 9.943) 12.329 3.086 ( -0.315 -0.329 -8.211) 8.224 4.116 ( 16.483 21.819 -0.896) 27.360 4.584 ( 6.496 12.742 -1.316) 14.363 6.499 ( 9.566 33.333 0.034) 34.679 8.451 ( 7.976 13.159 -0.416) 15.393 8.612 ( -6.252 -0.284 -4.617) 7.777 10.034 ( 1.175 -3.086 -2.185) 3.959 10.223 ( 2.246 -2.787 0.941) 3.701 12.232 ( -6.439 -31.884 7.772) 33.443 14.631 ( -7.788 0.357 -7.817) 11.041 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 7.915 7.581 0.274) 10.963 2.916 ( 0.213 0.275 9.776) 9.783 3.080 ( 1.267 4.796 -9.252) 10.498 4.506 ( 7.304 12.309 -0.749) 14.333 4.912 ( 15.595 18.631 0.357) 24.299 6.943 ( 9.845 22.568 0.012) 24.622 8.484 ( -3.738 3.337 -2.014) 5.400 8.776 ( 8.674 14.321 -0.373) 16.747 9.944 ( -3.622 -7.338 -2.493) 8.554 10.323 ( 6.844 4.864 0.828) 8.437 11.834 ( -8.413 -26.467 4.446) 28.126 14.451 ( -8.594 -4.136 -4.217) 10.428 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 5.447 9.475 0.068) 10.929 2.908 ( -0.833 -2.406 2.308) 3.436 3.159 ( 3.294 5.195 -2.884) 6.793 4.640 ( 1.496 3.163 0.243) 3.508 5.404 ( 14.486 25.160 0.211) 29.033 7.253 ( 6.570 11.434 0.067) 13.187 8.523 ( 3.103 6.753 0.014) 7.432 9.026 ( 5.603 10.584 0.254) 11.979 9.789 ( -4.100 -8.537 -1.968) 9.673 10.513 ( 5.656 10.013 0.101) 11.500 11.477 ( -8.787 -17.216 1.208) 19.366 14.254 ( -5.824 -8.330 -0.971) 10.211 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -0.963 1.784 -0.901) 2.218 2.915 ( 0.558 8.576 0.561) 8.612 3.255 ( 4.888 1.375 -1.940) 5.436 4.652 ( -0.325 -1.966 1.222) 2.338 5.843 ( 4.665 29.490 -0.059) 29.857 7.393 ( 3.532 0.726 0.095) 3.607 8.706 ( 9.085 7.106 0.861) 11.566 9.158 ( 0.896 4.562 1.274) 4.820 9.645 ( -1.316 -9.257 -2.296) 9.628 10.674 ( -1.039 12.917 1.869) 13.093 11.228 ( -6.813 -5.705 -2.588) 9.256 14.106 ( -0.058 -11.042 1.143) 11.102 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.000 4.801 -0.154) 4.804 2.815 ( -0.000 7.799 9.310) 12.145 3.096 ( 0.000 -0.672 -7.212) 7.243 3.749 ( 0.000 21.617 -0.784) 21.631 4.485 ( 0.000 12.753 -2.610) 13.017 6.337 ( 0.000 37.583 -0.397) 37.586 8.268 ( 0.000 12.804 -1.632) 12.908 8.768 ( 0.000 -2.327 -8.047) 8.377 9.969 ( -0.000 -1.996 1.397) 2.436 10.211 ( -0.000 -4.938 1.933) 5.303 12.335 ( -0.000 -34.691 9.154) 35.879 14.788 ( 0.000 3.321 -10.088) 10.621 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 5.365 4.649 -0.068) 7.099 2.909 ( 0.193 3.401 12.313) 12.776 3.071 ( -0.157 2.753 -10.927) 11.270 4.058 ( 12.385 19.283 -0.509) 22.923 4.616 ( 2.613 10.381 -1.105) 10.761 6.699 ( 3.910 29.250 -1.039) 29.529 8.443 ( 6.436 12.157 -1.614) 13.850 8.709 ( -4.616 4.470 -7.696) 10.026 9.980 ( 1.722 -1.338 0.596) 2.261 10.173 ( 0.602 -4.385 4.774) 6.510 12.004 ( -2.190 -33.283 6.768) 34.034 14.736 ( -5.603 1.308 -8.279) 10.082 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 9.200 4.872 0.065) 10.411 2.935 ( -0.659 -3.179 7.952) 8.589 3.110 ( 0.714 8.824 -5.715) 10.538 4.475 ( 12.651 14.809 -0.545) 19.485 4.798 ( 11.225 9.356 -0.451) 14.620 7.026 ( 6.015 20.551 -0.839) 21.429 8.610 ( -3.448 8.701 -3.904) 10.141 8.755 ( 7.153 12.634 -2.908) 14.807 9.945 ( -3.319 -4.489 1.209) 5.712 10.229 ( 7.171 0.612 3.196) 7.875 11.669 ( -2.927 -28.681 4.817) 29.229 14.578 ( -10.200 -1.205 -6.082) 11.936 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 10.575 5.367 -0.052) 11.859 2.904 ( -0.802 -2.957 2.859) 4.190 3.196 ( 0.170 7.807 0.076) 7.810 4.655 ( 0.873 4.098 -1.077) 4.326 5.257 ( 24.782 15.507 -0.038) 29.234 7.282 ( 4.545 12.424 -0.247) 13.232 8.617 ( -3.874 11.286 -2.551) 12.202 9.007 ( 7.760 9.408 -1.613) 12.302 9.813 ( -6.496 -5.405 2.177) 8.727 10.422 ( 11.980 3.427 -0.009) 12.461 11.393 ( -2.472 -19.986 3.667) 20.469 14.346 ( -11.905 -3.661 -3.598) 12.964 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 3.893 -0.090) 3.894 2.947 ( -0.000 -2.993 10.848) 11.253 3.096 ( 0.000 8.716 -8.337) 12.061 4.118 ( 0.000 16.246 -0.279) 16.248 4.683 ( 0.000 7.869 -0.845) 7.914 6.914 ( 0.000 22.104 -1.863) 22.182 8.490 ( 0.000 10.659 -1.480) 10.761 8.799 ( 0.000 10.537 -8.097) 13.288 9.965 ( -0.000 0.392 1.162) 1.226 10.142 ( -0.000 -4.667 7.217) 8.594 11.713 ( -0.000 -32.534 4.787) 32.885 14.774 ( 0.000 0.974 -7.709) 7.771 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 5.912 3.469 0.082) 6.855 2.929 ( -0.500 -4.073 5.907) 7.192 3.181 ( 0.527 9.788 -1.141) 9.869 4.378 ( 12.749 13.540 -0.167) 18.598 4.756 ( 2.133 4.419 -1.244) 5.062 7.121 ( 3.275 15.807 -1.504) 16.213 8.646 ( 6.446 9.639 -1.131) 11.651 8.865 ( -3.775 14.557 -6.118) 16.236 9.966 ( -1.424 -0.737 1.470) 2.175 10.142 ( 2.900 -3.018 6.036) 7.346 11.420 ( 0.136 -28.446 3.338) 28.641 14.702 ( -6.516 0.088 -6.634) 9.299 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 10.181 3.108 0.052) 10.645 2.896 ( -0.687 -3.219 3.901) 5.104 3.282 ( 0.013 8.692 2.722) 9.108 4.670 ( 3.311 5.648 -1.957) 6.833 4.949 ( 21.313 6.564 -0.378) 22.304 7.319 ( 4.450 10.826 -0.482) 11.714 8.810 ( -1.600 12.417 -2.561) 12.779 8.969 ( 3.910 10.829 -2.242) 11.729 9.896 ( -5.760 -1.956 3.335) 6.937 10.225 ( 9.543 -3.677 1.088) 10.285 11.210 ( 2.101 -19.481 3.370) 19.881 14.523 ( -11.727 -0.625 -5.094) 12.800 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 2.656 0.284) 2.671 2.911 ( -0.000 -3.860 5.255) 6.521 3.275 ( 0.000 9.698 2.699) 10.066 4.376 ( 0.000 10.048 0.084) 10.048 4.770 ( 0.000 2.012 -2.313) 3.065 7.224 ( 0.000 12.047 -0.826) 12.076 8.668 ( 0.000 7.966 0.336) 7.973 9.040 ( 0.000 16.567 -5.265) 17.384 9.981 ( 0.000 0.524 -0.495) 0.721 10.105 ( -0.000 -4.506 7.206) 8.499 11.156 ( -0.000 -25.006 1.930) 25.081 14.741 ( 0.000 0.360 -6.524) 6.533 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 6.098 1.936 0.355) 6.408 2.886 ( -0.390 -3.474 4.913) 6.030 3.381 ( -0.035 9.041 5.559) 10.614 4.582 ( 12.972 7.351 -0.219) 14.912 4.775 ( 1.847 -0.811 -3.318) 3.883 7.352 ( 2.665 8.937 0.453) 9.337 8.806 ( 6.825 6.729 0.538) 9.600 9.151 ( -4.427 16.404 -2.657) 17.198 9.959 ( -2.357 -1.342 -0.619) 2.782 10.079 ( 1.869 -7.191 3.749) 8.322 10.985 ( 3.773 -16.034 2.190) 16.617 14.668 ( -6.767 0.617 -5.876) 8.983 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.000 1.075 0.581) 1.222 2.870 ( -0.000 -3.819 5.400) 6.614 3.492 ( -0.000 8.879 8.102) 12.020 4.510 ( 0.000 3.542 0.285) 3.553 4.745 ( 0.000 -1.817 -5.229) 5.536 7.410 ( 0.000 6.546 1.745) 6.774 8.804 ( 0.000 4.825 2.502) 5.435 9.343 ( 0.000 16.343 -1.762) 16.438 9.965 ( 0.000 -1.387 -2.462) 2.826 9.988 ( -0.000 -11.913 2.493) 12.171 10.830 ( -0.000 -8.056 2.177) 8.345 14.718 ( 0.000 1.346 -6.127) 6.273 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -0.000 -0.000 21.873) 21.873 1.129 ( -0.000 -0.000 21.873) 21.873 2.127 ( 0.000 0.000 -8.813) 8.813 2.127 ( 0.000 0.000 -8.813) 8.813 2.448 ( -0.000 -0.000 50.432) 50.432 5.095 ( 0.000 0.000 -27.016) 27.016 7.438 ( -0.000 -0.000 2.502) 2.502 7.438 ( -0.000 -0.000 2.502) 2.502 10.372 ( 0.000 0.000 -1.695) 1.695 10.372 ( 0.000 0.000 -1.695) 1.695 14.043 ( -0.000 -0.000 1.640) 1.640 14.949 ( 0.000 0.000 -0.607) 0.607 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 10.279 5.934 19.432) 22.770 1.553 ( 20.290 11.715 17.569) 29.284 2.164 ( 5.865 3.386 -8.597) 10.945 2.332 ( 19.399 11.200 -6.190) 23.240 2.673 ( 9.597 5.541 41.832) 43.275 4.709 ( -16.390 -9.463 -18.079) 26.173 7.480 ( 2.987 1.724 2.304) 4.148 8.355 ( 60.294 34.811 -16.964) 71.659 10.197 ( -13.759 -7.944 -2.271) 16.050 10.343 ( -2.219 -1.281 -1.672) 3.060 14.054 ( -0.422 -0.244 3.050) 3.088 14.826 ( -9.127 -5.269 -3.332) 11.053 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 11.823 6.826 13.249) 19.025 1.942 ( 10.395 6.002 15.547) 19.642 2.364 ( 14.395 8.311 -6.271) 17.766 2.738 ( 12.566 7.255 16.639) 22.077 3.314 ( 38.442 22.194 8.221) 45.144 4.411 ( -5.124 -2.958 -15.656) 16.736 7.586 ( 5.808 3.353 1.996) 6.997 9.406 ( 20.961 12.102 -7.204) 25.253 9.894 ( 1.783 1.030 -15.117) 15.257 10.267 ( -3.871 -2.235 -1.619) 4.754 13.985 ( -9.332 -5.388 12.386) 16.417 14.599 ( -6.516 -3.762 -13.990) 15.885 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 7.859 4.537 6.345) 11.073 2.183 ( 7.941 4.585 15.146) 17.706 2.768 ( 21.455 12.387 -2.208) 24.872 3.032 ( 9.014 5.204 12.544) 16.300 4.069 ( 16.615 9.593 -12.263) 22.770 4.566 ( 31.041 17.922 -0.934) 35.856 7.754 ( 8.512 4.914 1.704) 9.975 9.176 ( -19.636 -11.337 2.778) 22.843 10.167 ( -4.360 -2.518 -1.526) 5.261 10.295 ( 19.140 11.051 -19.803) 29.676 13.666 ( -22.095 -12.757 14.671) 29.431 14.504 ( 1.656 0.956 -15.108) 15.229 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 5.931 3.424 2.599) 7.325 2.421 ( 9.513 5.492 13.197) 17.170 3.190 ( 3.038 1.754 1.597) 3.855 3.268 ( 22.149 12.787 -0.412) 25.578 4.267 ( 10.139 5.854 -9.694) 15.200 5.469 ( 40.736 23.519 2.011) 47.081 7.977 ( 10.572 6.104 1.409) 12.288 8.787 ( -14.217 -8.208 2.617) 16.623 10.070 ( -3.602 -2.080 -1.314) 4.362 10.491 ( 4.092 2.363 -15.817) 16.508 13.118 ( -28.504 -16.457 7.519) 33.761 14.540 ( 3.456 1.995 -5.568) 6.850 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 4.868 2.811 0.918) 5.696 2.685 ( 10.164 5.868 10.928) 16.036 3.207 ( 0.212 0.122 -7.659) 7.662 3.738 ( 19.081 11.017 -0.081) 22.034 4.487 ( 10.023 5.787 -2.952) 11.944 6.305 ( 31.640 18.267 1.677) 36.573 8.230 ( 11.226 6.481 0.909) 12.994 8.593 ( -2.893 -1.670 3.273) 4.677 10.003 ( -2.004 -1.157 -0.819) 2.454 10.444 ( -3.098 -1.789 -13.504) 13.970 12.453 ( -30.926 -17.855 1.986) 35.765 14.603 ( 2.340 1.351 1.687) 3.186 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 3.757 2.169 0.079) 4.339 2.907 ( 5.426 3.133 7.652) 9.890 3.203 ( 3.565 2.058 -12.242) 12.916 4.117 ( 14.271 8.239 -0.137) 16.479 4.666 ( 5.602 3.234 0.993) 6.544 6.883 ( 19.287 11.135 1.314) 22.310 8.476 ( 10.099 5.831 -0.007) 11.661 8.689 ( 9.853 5.689 3.767) 11.985 9.975 ( -0.498 -0.288 0.090) 0.582 10.311 ( -4.721 -2.726 -11.067) 12.336 11.765 ( -29.300 -16.917 -0.540) 33.837 14.651 ( 0.975 0.563 5.212) 5.332 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 2.432 1.404 -0.370) 2.833 2.943 ( -1.709 -0.987 -1.923) 2.756 3.325 ( 8.691 5.018 -8.206) 12.963 4.377 ( 8.763 5.059 -0.225) 10.121 4.743 ( 0.905 0.523 3.510) 3.663 7.221 ( 11.259 6.501 -0.000) 13.001 8.675 ( 7.564 4.367 -1.278) 8.827 9.000 ( 15.084 8.709 3.524) 17.770 9.972 ( -0.160 -0.092 1.314) 1.327 10.172 ( -5.392 -3.113 -7.601) 9.826 11.171 ( -21.838 -12.608 -1.231) 25.246 14.683 ( 0.468 0.270 6.289) 6.313 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.000 14.316 17.385) 22.520 1.542 ( 0.000 23.869 17.652) 29.687 2.134 ( 0.000 7.121 -10.144) 12.394 2.301 ( 0.000 22.544 -7.064) 23.625 2.798 ( -0.000 7.518 43.065) 43.716 4.654 ( 0.000 -17.260 -20.526) 26.818 7.485 ( 0.000 3.474 2.211) 4.118 8.299 ( 0.000 65.502 -13.589) 66.897 10.211 ( -0.000 -13.853 -2.861) 14.145 10.331 ( -0.000 -2.995 -1.428) 3.318 14.060 ( -0.000 -0.612 2.916) 2.980 14.818 ( -0.000 -10.925 -3.023) 11.335 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 2.781 14.550 13.771) 20.226 1.905 ( 8.586 13.217 12.852) 20.337 2.271 ( 7.915 13.973 -7.917) 17.904 2.661 ( 12.300 17.922 7.387) 22.957 3.148 ( 15.085 25.067 22.665) 37.008 4.404 ( -4.731 -7.166 -18.608) 20.493 7.561 ( 3.050 5.393 1.920) 6.487 9.134 ( 26.843 42.181 -12.309) 51.491 9.946 ( -10.314 -12.133 -7.155) 17.458 10.282 ( -1.469 -3.633 -1.522) 4.204 14.036 ( -1.954 -7.040 8.966) 11.566 14.635 ( -6.363 -7.602 -10.134) 14.177 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 3.957 9.470 7.289) 12.589 2.165 ( 6.341 8.305 11.848) 15.797 2.627 ( 14.660 21.268 -3.047) 26.011 2.982 ( 8.237 6.581 15.475) 18.725 3.851 ( 22.335 24.451 -3.189) 33.270 4.364 ( 10.939 12.597 -9.356) 19.128 7.704 ( 5.595 7.660 1.695) 9.636 9.347 ( -13.839 -14.911 3.823) 20.700 10.035 ( 18.334 18.537 -18.309) 31.859 10.208 ( -2.496 -1.864 -2.699) 4.122 13.839 ( -11.737 -19.392 15.299) 27.347 14.484 ( -2.362 3.133 -16.389) 16.853 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 3.430 7.658 3.206) 8.983 2.385 ( 6.877 7.488 11.739) 15.530 3.106 ( 13.841 17.326 1.199) 22.208 3.172 ( 6.697 7.569 3.946) 10.849 4.145 ( 8.532 8.403 -11.025) 16.278 5.088 ( 35.570 31.825 1.562) 47.755 7.909 ( 7.633 9.929 1.610) 12.627 8.940 ( -15.034 -13.719 2.706) 20.532 10.111 ( -3.334 -1.884 -1.314) 4.049 10.365 ( 8.776 5.516 -14.561) 17.873 13.376 ( -21.231 -23.018 8.687) 32.497 14.495 ( 2.271 4.268 -8.057) 9.397 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.656 7.422 1.320) 7.992 2.624 ( 8.551 7.465 10.910) 15.744 3.177 ( 0.233 -1.619 -4.531) 4.817 3.625 ( 14.660 22.910 -0.214) 27.200 4.375 ( 10.223 9.176 -3.971) 14.299 5.975 ( 32.794 26.393 1.406) 42.119 8.158 ( 8.478 11.571 1.527) 14.425 8.644 ( -7.248 -7.922 3.438) 11.275 10.041 ( -3.116 0.027 -1.318) 3.384 10.405 ( 0.441 -2.236 -12.231) 12.441 12.758 ( -26.643 -22.233 2.194) 34.771 14.560 ( 3.385 0.617 0.149) 3.444 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 1.557 7.277 0.382) 7.451 2.864 ( 7.260 5.272 10.136) 13.537 3.139 ( 0.859 -0.470 -11.307) 11.349 4.054 ( 10.553 20.627 -0.152) 23.170 4.604 ( 7.271 6.979 0.036) 10.078 6.675 ( 22.645 18.149 1.421) 29.055 8.416 ( 7.540 11.492 1.228) 13.799 8.594 ( 5.384 -0.336 4.282) 6.888 9.999 ( -2.045 0.905 -1.108) 2.495 10.313 ( -2.895 -3.368 -10.302) 11.219 12.081 ( -28.346 -19.529 -1.162) 34.442 14.613 ( 3.276 -2.971 4.537) 6.337 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 0.183 6.902 -0.112) 6.905 2.952 ( -1.060 -1.407 0.617) 1.867 3.210 ( 7.966 5.123 -7.208) 11.902 4.378 ( 5.397 17.707 -0.058) 18.511 4.741 ( 2.204 3.797 2.066) 4.852 7.110 ( 12.313 11.125 1.019) 16.626 8.638 ( 5.926 10.035 0.596) 11.669 8.818 ( 14.654 5.099 4.131) 16.056 9.977 ( -0.620 -0.561 -0.814) 1.167 10.203 ( -4.173 -1.340 -7.400) 8.601 11.445 ( -25.282 -14.171 -2.033) 29.054 14.644 ( 3.277 -5.084 6.015) 8.530 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -0.000 9.977 9.507) 13.781 2.027 ( 0.000 16.618 10.492) 19.653 2.332 ( 0.000 19.720 -7.397) 21.062 2.779 ( 0.000 17.986 12.149) 21.705 3.373 ( 0.000 34.270 16.698) 38.121 4.321 ( 0.000 -3.545 -18.891) 19.221 7.601 ( 0.000 7.226 1.545) 7.389 9.305 ( 0.000 34.133 -4.056) 34.373 9.893 ( 0.000 -7.659 -13.212) 15.271 10.243 ( -0.000 -5.035 -0.887) 5.113 13.986 ( -0.000 -14.201 12.105) 18.661 14.590 ( 0.000 -3.798 -13.307) 13.838 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 2.416 7.518 4.891) 9.289 2.224 ( 2.306 12.887 8.183) 15.439 2.631 ( 10.490 24.858 -3.406) 27.195 2.995 ( 3.917 8.083 15.842) 18.211 3.843 ( 9.000 28.337 -1.707) 29.781 4.340 ( 5.956 18.776 -9.693) 21.953 7.715 ( 3.454 9.289 1.202) 9.983 9.381 ( -6.799 -15.623 4.193) 17.547 9.963 ( 7.609 22.065 -16.920) 28.828 10.192 ( 0.060 -4.202 -1.658) 4.518 13.802 ( -4.691 -24.861 15.322) 29.577 14.522 ( -2.517 5.235 -16.486) 17.480 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 3.549 7.560 2.448) 8.703 2.409 ( 3.691 10.369 7.708) 13.437 3.097 ( 11.029 21.044 1.965) 23.840 3.146 ( 6.519 7.344 4.951) 10.998 4.085 ( 5.859 11.313 -10.241) 16.346 4.937 ( 23.469 40.403 0.983) 46.735 7.906 ( 6.229 11.841 1.169) 13.431 9.031 ( -12.508 -17.033 1.072) 21.159 10.121 ( -0.435 -2.158 -0.707) 2.312 10.252 ( 7.000 7.916 -11.105) 15.329 13.433 ( -12.102 -28.818 11.046) 33.150 14.511 ( -1.170 6.725 -11.295) 13.197 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 3.056 8.752 1.223) 9.351 2.610 ( 5.973 9.147 7.970) 13.523 3.146 ( -0.192 -2.534 -1.486) 2.943 3.638 ( 14.475 27.563 -0.649) 31.140 4.308 ( 8.684 12.634 -3.845) 15.805 5.756 ( 27.359 34.553 0.882) 44.082 8.158 ( 7.667 14.227 1.381) 16.221 8.698 ( -9.365 -11.679 1.603) 15.055 10.082 ( -1.787 -0.451 -1.328) 2.272 10.329 ( 2.150 -1.389 -8.342) 8.726 12.914 ( -18.811 -27.370 4.458) 33.509 14.529 ( 0.505 1.838 -3.500) 3.985 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 1.538 9.861 0.453) 9.990 2.832 ( 7.071 7.165 9.068) 13.549 3.093 ( -0.596 -2.502 -8.273) 8.664 4.113 ( 10.623 25.333 -0.535) 27.475 4.571 ( 7.670 12.357 0.028) 14.544 6.492 ( 23.449 25.104 0.788) 34.361 8.430 ( 6.171 12.912 1.785) 14.422 8.538 ( 0.534 -2.846 2.960) 4.141 10.039 ( -2.465 -0.552 -2.282) 3.405 10.291 ( -0.748 -1.670 -6.458) 6.713 12.310 ( -23.053 -23.396 -0.338) 32.847 14.536 ( 1.920 -4.156 2.050) 5.016 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -0.360 10.432 0.067) 10.438 2.958 ( -0.842 -1.712 3.397) 3.896 3.111 ( 7.129 5.059 -6.628) 10.970 4.472 ( 6.316 17.994 0.088) 19.070 4.791 ( 2.366 14.662 1.140) 14.895 7.018 ( 14.519 15.788 0.880) 21.467 8.575 ( 9.449 1.084 3.618) 10.176 8.732 ( 6.663 13.783 2.092) 15.451 9.967 ( -1.762 -4.424 -3.396) 5.849 10.261 ( -2.779 4.399 -3.874) 6.487 11.704 ( -23.364 -17.210 -2.671) 29.141 14.528 ( 3.494 -8.519 4.660) 10.320 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.000 5.752 2.017) 6.095 2.361 ( 0.000 13.118 5.760) 14.326 2.774 ( 0.000 26.440 -2.666) 26.574 3.081 ( -0.000 4.915 13.849) 14.695 3.982 ( 0.000 14.980 -10.201) 18.124 4.554 ( 0.000 41.560 -1.163) 41.576 7.783 ( 0.000 10.592 0.431) 10.601 9.281 ( -0.000 -19.229 0.849) 19.248 10.071 ( 0.000 19.162 -11.652) 22.427 10.133 ( -0.000 -5.581 -0.042) 5.581 13.617 ( -0.000 -29.992 14.737) 33.417 14.562 ( 0.000 8.163 -15.743) 17.733 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 3.644 5.804 0.797) 6.899 2.504 ( 0.777 11.976 4.142) 12.696 3.133 ( 11.259 25.548 -1.479) 27.958 3.142 ( 0.527 0.725 7.024) 7.081 4.103 ( 2.957 13.201 -8.615) 16.038 5.093 ( 9.861 47.327 1.006) 48.354 7.933 ( 4.433 12.288 0.033) 13.063 9.028 ( -7.061 -17.339 -2.249) 18.856 10.087 ( 0.689 -4.003 0.300) 4.073 10.219 ( 2.985 7.641 -5.595) 9.930 13.307 ( -5.050 -32.666 11.933) 35.142 14.582 ( -2.158 8.144 -12.576) 15.137 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 5.604 6.903 0.572) 8.910 2.655 ( 2.549 11.032 3.815) 11.948 3.125 ( -0.848 -3.461 0.159) 3.567 3.638 ( 16.325 26.375 -0.731) 31.027 4.304 ( 6.382 14.643 -3.316) 16.314 5.760 ( 16.124 41.173 0.494) 44.221 8.170 ( 7.792 14.328 0.119) 16.311 8.735 ( -8.567 -12.054 -2.110) 14.939 10.073 ( 0.935 -2.060 -0.569) 2.333 10.272 ( 1.117 -0.749 -2.403) 2.754 12.886 ( -10.415 -32.005 7.176) 34.413 14.566 ( -3.224 3.994 -7.280) 8.908 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 5.015 8.695 0.306) 10.042 2.831 ( 4.664 9.285 5.035) 11.546 3.061 ( -1.437 -3.722 -4.176) 5.776 4.148 ( 13.603 23.555 -0.556) 27.207 4.574 ( 8.747 15.547 -0.243) 17.841 6.411 ( 17.862 31.098 0.210) 35.863 8.451 ( 6.149 11.426 0.504) 12.985 8.535 ( -2.095 -1.726 -0.289) 2.730 10.048 ( -1.596 -3.218 -1.683) 3.967 10.269 ( 1.232 0.168 -1.145) 1.691 12.385 ( -15.048 -28.154 2.298) 32.005 14.508 ( -2.820 -2.326 -1.949) 4.143 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 2.569 10.615 0.036) 10.922 2.970 ( -1.502 -2.503 4.391) 5.273 3.033 ( 5.890 6.111 -5.276) 9.994 4.502 ( 6.906 12.536 0.047) 14.312 4.911 ( 8.171 23.076 0.430) 24.483 6.942 ( 14.445 19.929 0.214) 24.614 8.467 ( 3.430 -0.642 1.797) 3.925 8.770 ( 7.362 15.100 0.929) 16.825 9.942 ( -3.417 -7.119 -1.884) 8.119 10.332 ( 1.415 7.488 -1.065) 7.694 11.861 ( -17.596 -21.455 -1.355) 27.781 14.423 ( -0.683 -8.266 1.848) 8.497 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 5.258 -0.235) 5.263 2.624 ( 0.000 11.798 1.612) 11.908 3.141 ( -0.000 -2.989 3.590) 4.671 3.280 ( 0.000 25.619 -1.220) 25.648 4.194 ( 0.000 14.936 -5.297) 15.847 5.489 ( 0.000 47.708 0.552) 47.711 8.012 ( 0.000 12.596 -0.885) 12.627 8.918 ( -0.000 -14.536 -5.403) 15.508 10.036 ( -0.000 -4.326 0.923) 4.424 10.247 ( 0.000 3.208 0.089) 3.209 13.051 ( -0.000 -34.805 10.664) 36.402 14.646 ( 0.000 7.734 -11.574) 13.920 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 4.714 5.426 -0.253) 7.192 2.747 ( 0.821 11.636 0.239) 11.667 3.103 ( -0.833 -4.388 1.016) 4.580 3.629 ( 12.063 24.090 -0.682) 26.950 4.358 ( 3.188 14.871 -2.158) 15.361 5.990 ( 6.210 42.099 -0.146) 42.555 8.184 ( 5.723 13.366 -1.170) 14.587 8.735 ( -4.999 -9.035 -5.957) 11.921 10.021 ( 1.860 -2.761 0.745) 3.411 10.258 ( -0.302 -1.787 3.324) 3.786 12.700 ( -4.151 -34.922 7.836) 36.030 14.650 ( -3.476 4.986 -8.920) 10.794 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 7.666 6.152 -0.018) 9.829 2.885 ( 2.123 11.158 -0.191) 11.360 3.041 ( -1.533 -4.443 0.682) 4.749 4.111 ( 16.412 21.847 -0.205) 27.326 4.574 ( 7.004 13.274 -0.747) 15.027 6.498 ( 9.764 33.029 -0.408) 34.444 8.444 ( 8.247 12.510 -1.170) 15.030 8.571 ( -4.494 -0.852 -4.199) 6.209 10.026 ( 0.322 -3.036 0.435) 3.084 10.245 ( 1.115 -1.443 3.720) 4.143 12.288 ( -7.492 -32.188 4.445) 33.346 14.570 ( -6.293 0.424 -5.403) 8.305 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 4.886 -0.485) 4.910 2.851 ( 0.000 11.755 -2.815) 12.087 3.071 ( -0.000 -4.891 3.032) 5.754 3.742 ( 0.000 21.813 -0.558) 21.820 4.469 ( 0.000 13.561 -0.894) 13.590 6.331 ( 0.000 36.995 -0.992) 37.008 8.254 ( 0.000 12.613 -1.585) 12.713 8.695 ( 0.000 -3.045 -7.549) 8.140 9.982 ( -0.000 -1.896 1.373) 2.341 10.252 ( -0.000 -3.634 6.934) 7.828 12.407 ( -0.000 -35.860 6.467) 36.438 14.702 ( 0.000 4.089 -8.524) 9.454 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 5.468 4.753 -0.235) 7.249 2.956 ( 0.879 10.164 -8.817) 13.484 3.036 ( -0.814 -3.017 10.156) 10.626 4.055 ( 12.432 19.389 -0.198) 23.033 4.608 ( 2.630 10.511 -0.639) 10.854 6.688 ( 4.161 28.832 -1.338) 29.162 8.428 ( 6.464 12.124 -1.506) 13.822 8.644 ( -3.727 4.361 -6.433) 8.619 9.989 ( 1.412 -1.256 1.155) 2.215 10.230 ( -0.254 -3.839 7.767) 8.667 12.055 ( -2.402 -34.195 4.380) 34.558 14.666 ( -5.000 1.732 -6.929) 8.718 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 4.080 -0.092) 4.081 2.975 ( 0.000 0.644 -6.131) 6.165 3.096 ( -0.000 6.957 9.889) 12.091 4.116 ( 0.000 16.379 -0.076) 16.379 4.675 ( 0.000 7.517 -0.975) 7.580 6.897 ( 0.000 22.013 -1.721) 22.081 8.479 ( 0.000 11.074 -0.781) 11.101 8.734 ( 0.000 10.996 -6.156) 12.602 9.973 ( -0.000 -0.014 0.566) 0.566 10.218 ( -0.000 -4.674 9.450) 10.543 11.749 ( -0.000 -33.561 3.026) 33.697 14.707 ( 0.000 1.384 -6.947) 7.083 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 -0.000 20.071) 20.071 1.320 ( -0.000 -0.000 20.071) 20.071 2.039 ( 0.000 0.000 -10.582) 10.582 2.039 ( 0.000 0.000 -10.582) 10.582 2.894 ( -0.000 -0.000 47.784) 47.784 4.831 ( 0.000 0.000 -31.061) 31.061 7.459 ( -0.000 -0.000 2.100) 2.100 7.459 ( -0.000 -0.000 2.100) 2.100 10.358 ( 0.000 0.000 -1.428) 1.428 10.358 ( 0.000 0.000 -1.428) 1.428 14.057 ( -0.000 -0.000 1.372) 1.372 14.944 ( 0.000 0.000 -0.519) 0.519 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 8.721 5.035 18.619) 21.168 1.704 ( 18.284 10.556 15.539) 26.214 2.079 ( 6.507 3.757 -10.128) 12.611 2.256 ( 23.435 13.530 -9.664) 28.734 3.060 ( 3.490 2.015 42.214) 42.406 4.513 ( -13.161 -7.599 -24.792) 29.079 7.499 ( 2.930 1.692 1.792) 3.828 8.236 ( 54.636 31.544 -9.655) 63.823 10.180 ( -14.400 -8.314 -1.576) 16.702 10.329 ( -2.241 -1.294 -1.385) 2.935 14.078 ( 1.214 0.701 2.204) 2.612 14.801 ( -11.460 -6.616 -2.186) 13.412 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 8.754 5.054 12.142) 15.799 2.057 ( 10.843 6.260 9.920) 15.973 2.307 ( 16.419 9.480 -6.131) 19.926 2.851 ( 20.197 11.661 7.841) 24.604 3.433 ( 24.942 14.400 17.873) 33.896 4.250 ( -2.332 -1.347 -19.487) 19.672 7.602 ( 5.766 3.329 1.498) 6.825 9.344 ( 35.227 20.338 -6.210) 41.148 9.791 ( -12.254 -7.075 -7.904) 16.207 10.254 ( -3.891 -2.246 -1.356) 4.693 14.093 ( -4.098 -2.366 11.170) 12.131 14.480 ( -11.930 -6.888 -12.125) 18.352 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 5.961 3.442 5.082) 8.556 2.300 ( 8.558 4.941 10.349) 14.309 2.752 ( 22.536 13.011 -1.222) 26.051 3.141 ( 5.240 3.025 10.762) 12.346 3.961 ( 12.340 7.124 -10.791) 17.874 4.559 ( 36.264 20.937 -0.767) 41.881 7.769 ( 8.496 4.905 1.386) 9.908 9.208 ( -20.197 -11.660 4.116) 23.681 10.137 ( 20.511 11.842 -14.600) 27.823 10.154 ( -4.359 -2.517 -1.369) 5.217 13.774 ( -24.823 -14.332 8.443) 29.881 14.393 ( 5.106 2.948 -8.610) 10.435 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 5.135 2.965 2.046) 6.272 2.531 ( 9.347 5.396 10.586) 15.118 3.194 ( -1.008 -0.582 -0.953) 1.504 3.267 ( 22.325 12.889 0.175) 25.779 4.196 ( 12.652 7.305 -5.635) 15.658 5.483 ( 40.760 23.533 1.216) 47.081 7.990 ( 10.505 6.065 1.420) 12.212 8.819 ( -14.158 -8.174 4.518) 16.961 10.058 ( -3.517 -2.031 -1.364) 4.284 10.364 ( 4.434 2.560 -11.907) 12.961 13.155 ( -30.075 -17.364 0.455) 34.730 14.519 ( 5.849 3.377 1.118) 6.846 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 4.479 2.586 0.754) 5.226 2.783 ( 9.830 5.675 10.138) 15.219 3.132 ( -2.428 -1.402 -8.499) 8.949 3.739 ( 19.017 10.979 0.255) 21.960 4.469 ( 11.399 6.581 -1.023) 13.202 6.319 ( 31.713 18.310 1.437) 36.648 8.240 ( 10.974 6.336 1.331) 12.741 8.634 ( -2.880 -1.663 5.740) 6.634 9.994 ( -1.741 -1.005 -1.169) 2.326 10.333 ( -2.800 -1.617 -10.719) 11.196 12.449 ( -31.405 -18.132 -2.746) 36.368 14.637 ( 3.406 1.966 5.647) 6.881 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.000 12.196 16.142) 20.231 1.697 ( 0.000 20.751 16.270) 26.369 2.033 ( 0.000 7.539 -12.072) 14.233 2.226 ( 0.000 26.579 -9.012) 28.065 3.185 ( -0.000 2.335 41.452) 41.517 4.438 ( 0.000 -13.622 -26.640) 29.920 7.503 ( 0.000 3.400 1.642) 3.775 8.206 ( 0.000 60.448 -7.400) 60.899 10.188 ( -0.000 -15.319 -2.089) 15.461 10.320 ( -0.000 -2.911 -0.979) 3.071 14.082 ( -0.000 1.306 2.036) 2.419 14.796 ( -0.000 -13.492 -1.912) 13.627 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 1.917 10.573 11.841) 15.990 2.001 ( 7.743 11.690 7.929) 16.108 2.199 ( 9.754 16.188 -7.604) 20.372 2.688 ( 17.859 28.614 0.191) 33.731 3.393 ( 6.839 11.587 29.403) 32.335 4.213 ( -3.212 -4.801 -23.126) 23.837 7.576 ( 3.037 5.328 1.275) 6.264 9.044 ( 28.232 46.616 -7.423) 55.002 9.896 ( -11.994 -17.440 -3.946) 21.531 10.271 ( -1.667 -3.627 -0.979) 4.110 14.110 ( 0.811 -1.446 6.919) 7.115 14.554 ( -9.398 -13.617 -7.498) 18.165 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 2.900 7.050 5.019) 9.128 2.248 ( 7.588 8.286 6.535) 12.998 2.605 ( 15.860 22.520 -1.798) 27.603 3.107 ( 7.451 6.314 10.990) 14.703 3.822 ( 12.413 14.390 -2.638) 19.187 4.289 ( 19.067 21.084 -6.664) 29.198 7.717 ( 5.655 7.658 1.092) 9.582 9.387 ( -15.133 -16.787 4.667) 23.078 9.889 ( 20.708 22.164 -13.020) 33.008 10.192 ( -3.158 -2.976 -1.220) 4.508 13.965 ( -14.111 -20.891 11.539) 27.725 14.351 ( 0.316 4.780 -12.098) 13.012 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 2.915 6.802 2.064) 7.683 2.472 ( 7.976 7.100 7.349) 12.962 3.113 ( 15.978 21.570 0.711) 26.853 3.201 ( 0.979 0.608 1.530) 1.916 4.067 ( 10.322 10.163 -5.533) 15.507 5.097 ( 35.848 31.977 0.628) 48.042 7.922 ( 7.721 9.986 1.203) 12.680 8.969 ( -14.505 -14.372 3.605) 20.735 10.100 ( -3.485 -1.796 -1.084) 4.068 10.256 ( 8.583 6.458 -9.107) 14.082 13.421 ( -23.878 -23.056 0.941) 33.206 14.456 ( 5.636 4.604 -0.330) 7.285 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 2.377 7.066 0.835) 7.501 2.711 ( 9.213 7.105 7.527) 13.857 3.133 ( -2.608 -3.112 -4.763) 6.259 3.625 ( 14.795 22.696 0.228) 27.094 4.352 ( 11.332 10.248 -0.894) 15.305 5.986 ( 32.997 26.341 0.822) 42.230 8.172 ( 8.458 11.644 1.445) 14.464 8.684 ( -6.535 -8.417 5.175) 11.846 10.030 ( -3.104 -0.000 -1.193) 3.325 10.311 ( -0.111 -1.437 -8.273) 8.397 12.752 ( -27.871 -21.858 -3.357) 35.578 14.585 ( 5.287 0.321 5.100) 7.353 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -0.000 6.035 5.536) 8.189 2.103 ( 0.000 14.864 6.165) 16.092 2.270 ( 0.000 22.758 -5.732) 23.469 2.855 ( 0.000 28.744 5.194) 29.209 3.555 ( -0.000 17.945 22.051) 28.430 4.135 ( 0.000 0.781 -21.470) 21.485 7.612 ( 0.000 7.003 0.856) 7.055 9.279 ( 0.000 44.841 -1.702) 44.873 9.797 ( -0.000 -18.421 -7.847) 20.023 10.238 ( -0.000 -4.868 -0.314) 4.878 14.092 ( -0.000 -8.115 11.135) 13.779 14.476 ( 0.000 -10.258 -11.681) 15.546 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 2.567 5.558 1.861) 6.398 2.276 ( 2.695 12.436 3.351) 13.159 2.606 ( 11.321 25.929 -2.022) 28.365 3.118 ( 3.370 8.826 10.145) 13.863 3.824 ( 4.380 14.489 -2.270) 15.306 4.269 ( 9.794 29.988 -5.231) 31.977 7.723 ( 3.599 9.057 0.465) 9.757 9.416 ( -8.216 -20.245 2.857) 22.034 9.841 ( 9.823 27.899 -9.129) 30.954 10.184 ( -0.609 -4.587 -0.370) 4.642 13.933 ( -5.575 -25.891 13.028) 29.515 14.383 ( -1.563 6.248 -13.630) 15.075 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.663 6.834 0.845) 7.799 2.457 ( 4.911 9.889 2.645) 11.353 3.101 ( 15.250 27.235 -0.019) 31.214 3.190 ( 0.014 -1.621 3.048) 3.452 4.017 ( 7.011 12.701 -4.152) 15.090 4.943 ( 23.641 40.831 0.333) 47.182 7.913 ( 6.528 11.675 0.407) 13.382 9.038 ( -11.617 -18.386 0.470) 21.754 10.116 ( -0.513 -1.426 -0.272) 1.539 10.183 ( 6.114 9.060 -3.873) 11.596 13.504 ( -14.851 -28.827 4.242) 32.704 14.438 ( 1.996 6.870 -4.356) 8.376 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 3.005 8.453 0.339) 8.977 2.660 ( 7.388 8.696 2.747) 11.737 3.132 ( -2.462 -3.851 -1.380) 4.775 3.634 ( 14.623 27.415 -0.012) 31.071 4.289 ( 9.621 13.584 -0.220) 16.648 5.761 ( 27.442 34.484 0.197) 44.071 8.167 ( 8.030 14.122 0.679) 16.260 8.715 ( -7.950 -12.654 2.118) 15.093 10.073 ( -2.077 -0.623 -0.498) 2.225 10.276 ( 0.848 0.074 -3.180) 3.292 12.927 ( -21.042 -26.497 -1.633) 33.875 14.522 ( 3.262 0.920 2.175) 4.027 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.000 5.002 -0.454) 5.022 2.389 ( 0.000 12.481 0.471) 12.490 2.755 ( 0.000 27.046 -1.549) 27.090 3.185 ( -0.000 2.417 7.967) 8.325 3.903 ( 0.000 12.193 -6.069) 13.620 4.549 ( 0.000 45.074 0.040) 45.074 7.784 ( 0.000 10.221 -0.237) 10.224 9.276 ( -0.000 -22.331 -2.006) 22.421 10.009 ( 0.000 22.873 -1.918) 22.953 10.136 ( -0.000 -5.327 0.524) 5.353 13.737 ( -0.000 -31.137 11.090) 33.053 14.434 ( 0.000 9.265 -11.746) 14.960 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 3.988 5.577 -0.667) 6.888 2.515 ( 1.399 11.513 -1.817) 11.739 3.121 ( 11.370 25.853 -1.116) 28.265 3.192 ( -0.510 -1.901 3.513) 4.027 4.052 ( 3.626 14.764 -2.235) 15.366 5.099 ( 9.814 47.275 0.259) 48.283 7.930 ( 4.665 11.929 -0.631) 12.824 9.002 ( -6.200 -18.926 -3.450) 20.213 10.092 ( 0.418 -3.993 0.704) 4.076 10.204 ( 2.258 9.786 2.236) 10.289 13.394 ( -6.367 -33.100 6.665) 34.360 14.489 ( -0.649 8.512 -7.345) 11.261 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 5.375 -1.214) 5.511 2.606 ( 0.000 11.535 -5.498) 12.778 3.174 ( -0.000 -4.083 3.188) 5.180 3.271 ( 0.000 25.796 -0.750) 25.807 4.169 ( 0.000 15.944 0.060) 15.944 5.490 ( 0.000 47.322 -0.319) 47.323 8.002 ( 0.000 12.264 -1.239) 12.326 8.866 ( -0.000 -15.775 -5.641) 16.753 10.046 ( -0.000 -4.118 1.229) 4.297 10.279 ( -0.000 4.663 6.680) 8.147 13.128 ( -0.000 -35.326 5.987) 35.830 14.559 ( 0.000 7.984 -7.284) 10.808 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.000 -0.000 17.868) 17.868 1.493 ( -0.000 -0.000 17.868) 17.868 1.935 ( 0.000 0.000 -12.110) 12.110 1.935 ( 0.000 0.000 -12.110) 12.110 3.311 ( -0.000 -0.000 43.447) 43.447 4.536 ( 0.000 0.000 -33.416) 33.416 7.475 ( -0.000 -0.000 1.398) 1.398 7.475 ( -0.000 -0.000 1.398) 1.398 10.347 ( 0.000 0.000 -0.953) 0.953 10.347 ( 0.000 0.000 -0.953) 0.953 14.067 ( -0.000 -0.000 0.911) 0.911 14.940 ( 0.000 0.000 -0.351) 0.351 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 7.570 4.371 17.321) 19.402 1.831 ( 14.312 8.263 12.138) 20.505 1.980 ( 7.411 4.279 -11.659) 14.462 2.164 ( 27.449 15.847 -9.886) 33.201 3.429 ( 0.166 0.096 38.217) 38.218 4.266 ( -10.276 -5.933 -28.798) 31.147 7.512 ( 2.893 1.670 1.021) 3.493 8.173 ( 50.938 29.409 -4.596) 58.997 10.169 ( -14.636 -8.450 -0.732) 16.916 10.318 ( -2.288 -1.321 -0.896) 2.790 14.094 ( 2.209 1.275 1.217) 2.826 14.786 ( -12.874 -7.433 -1.164) 14.911 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 5.452 3.148 8.733) 10.766 2.122 ( 11.022 6.363 4.340) 13.447 2.258 ( 19.172 11.069 -4.296) 22.551 2.889 ( 28.065 16.204 1.279) 32.432 3.620 ( 10.605 6.123 21.337) 24.602 4.065 ( 2.820 1.628 -20.156) 20.417 7.613 ( 5.800 3.348 0.786) 6.743 9.298 ( 42.962 24.804 -3.859) 49.758 9.746 ( -20.145 -11.631 -2.179) 23.364 10.243 ( -3.962 -2.288 -0.898) 4.662 14.180 ( 3.841 2.218 6.780) 8.101 14.387 ( -19.982 -11.537 -7.221) 24.177 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.677 2.701 2.991) 6.174 2.369 ( 9.751 5.630 4.907) 12.282 2.747 ( 23.286 13.444 0.124) 26.889 3.209 ( 2.383 1.376 3.089) 4.137 3.890 ( 10.636 6.141 -3.677) 12.820 4.552 ( 38.958 22.492 -0.603) 44.988 7.779 ( 8.615 4.974 0.874) 9.986 9.247 ( -20.431 -11.796 4.110) 23.947 10.035 ( 21.032 12.143 -7.431) 25.397 10.143 ( -4.448 -2.568 -1.018) 5.236 13.803 ( -27.485 -15.868 -2.500) 31.835 14.364 ( 8.256 4.767 2.730) 9.917 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.000 10.113 14.662) 17.811 1.832 ( 0.000 15.734 12.777) 20.268 1.915 ( 0.000 8.345 -13.902) 16.214 2.144 ( 0.000 31.855 -8.482) 32.964 3.539 ( -0.000 -0.762 35.154) 35.163 4.181 ( 0.000 -10.797 -28.513) 30.489 7.514 ( 0.000 3.349 0.833) 3.451 8.159 ( 0.000 57.549 -2.984) 57.626 10.173 ( -0.000 -16.261 -1.195) 16.305 10.314 ( -0.000 -2.816 -0.383) 2.842 14.096 ( 0.000 2.505 1.007) 2.699 14.783 ( -0.000 -15.002 -0.880) 15.027 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 1.299 5.418 5.902) 8.116 2.044 ( 7.140 11.459 1.647) 13.601 2.146 ( 11.300 18.896 -3.258) 22.257 2.684 ( 19.970 33.768 -0.513) 39.234 3.649 ( 2.109 3.538 24.049) 24.399 3.998 ( -0.930 -1.245 -21.534) 21.590 7.584 ( 3.039 5.287 0.447) 6.114 8.999 ( 28.393 48.475 -2.455) 56.232 9.873 ( -12.217 -20.073 -1.275) 23.534 10.265 ( -1.888 -3.531 -0.340) 4.019 14.156 ( 2.939 3.907 2.883) 5.676 14.504 ( -11.711 -19.171 -3.056) 22.672 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 2.657 5.371 1.734) 6.238 2.285 ( 8.647 8.458 1.472) 12.185 2.596 ( 16.674 23.150 0.069) 28.529 3.163 ( 7.348 7.352 0.684) 10.417 3.810 ( 6.099 7.154 0.268) 9.405 4.251 ( 24.114 26.651 -1.308) 35.965 7.724 ( 5.812 7.652 0.338) 9.615 9.421 ( -16.198 -19.169 2.051) 25.180 9.812 ( 22.061 24.767 -3.086) 33.311 10.184 ( -3.419 -3.030 -0.445) 4.590 14.015 ( -19.918 -22.123 -2.627) 29.884 14.298 ( 6.331 6.086 2.643) 9.171 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 3.938 -1.785) 4.324 2.137 ( 0.000 13.386 1.124) 13.433 2.239 ( 0.000 24.417 -0.655) 24.426 2.885 ( 0.000 34.227 1.846) 34.277 3.724 ( -0.000 4.534 8.072) 9.259 3.969 ( 0.000 8.648 -8.333) 12.010 7.616 ( 0.000 6.817 0.040) 6.818 9.275 ( 0.000 50.542 1.027) 50.552 9.749 ( -0.000 -24.269 -2.846) 24.435 10.238 ( -0.000 -4.706 0.312) 4.717 14.179 ( -0.000 2.296 6.891) 7.263 14.386 ( -0.000 -20.897 -6.917) 22.012 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.000 -0.000 12.771) 12.771 1.638 ( -0.000 -0.000 12.771) 12.771 1.825 ( 0.000 0.000 -10.841) 10.841 1.825 ( 0.000 0.000 -10.841) 10.841 3.657 ( -0.000 -0.000 28.466) 28.466 4.251 ( 0.000 0.000 -25.123) 25.123 7.484 ( -0.000 -0.000 0.490) 0.490 7.484 ( -0.000 -0.000 0.490) 0.490 10.341 ( 0.000 0.000 -0.335) 0.335 10.341 ( 0.000 0.000 -0.335) 0.335 14.073 ( -0.000 -0.000 0.319) 0.319 14.938 ( 0.000 0.000 -0.124) 0.124 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 6.044 3.490 15.483) 16.983 1.868 ( 9.220 5.323 -12.953) 16.767 1.900 ( 8.625 4.980 0.414) 9.968 2.101 ( 32.859 18.971 -1.536) 37.973 3.704 ( -0.876 -0.505 12.821) 12.861 4.040 ( -9.220 -5.323 -11.417) 15.611 7.517 ( 2.882 1.664 0.100) 3.330 8.149 ( 49.349 28.492 -0.701) 56.988 10.167 ( -14.529 -8.388 0.222) 16.778 10.313 ( -2.357 -1.361 -0.275) 2.736 14.100 ( 2.536 1.464 0.114) 2.931 14.780 ( -13.389 -7.730 -0.147) 15.461 =================== 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 1417.317 1417.317 4043.953 -0.000 -0.000 0.000 3/58956 20.0 281.110 281.110 375.870 -0.000 -0.000 0.000 3/58956 30.0 121.030 121.030 116.453 -0.000 -0.000 0.000 3/58956 40.0 84.498 84.498 63.900 0.000 -0.000 0.000 3/58956 50.0 66.752 66.752 44.263 0.000 -0.000 0.000 3/58956 60.0 54.566 54.566 34.165 0.000 -0.000 0.000 3/58956 70.0 45.501 45.501 27.886 0.000 -0.000 0.000 3/58956 80.0 38.602 38.602 23.537 0.000 -0.000 0.000 3/58956 90.0 33.275 33.275 20.329 0.000 -0.000 0.000 3/58956 100.0 29.104 29.104 17.868 0.000 -0.000 0.000 3/58956 110.0 25.789 25.789 15.926 0.000 -0.000 0.000 3/58956 120.0 23.113 23.113 14.360 0.000 -0.000 0.000 3/58956 130.0 20.921 20.921 13.073 0.000 -0.000 0.000 3/58956 140.0 19.101 19.101 12.000 0.000 -0.000 0.000 3/58956 150.0 17.570 17.570 11.092 0.000 -0.000 0.000 3/58956 160.0 16.266 16.266 10.314 0.000 -0.000 0.000 3/58956 170.0 15.144 15.144 9.640 0.000 -0.000 0.000 3/58956 180.0 14.169 14.169 9.052 0.000 -0.000 0.000 3/58956 190.0 13.314 13.314 8.533 0.000 -0.000 0.000 3/58956 200.0 12.559 12.559 8.072 0.000 -0.000 0.000 3/58956 210.0 11.887 11.887 7.660 0.000 -0.000 0.000 3/58956 220.0 11.285 11.285 7.289 0.000 -0.000 0.000 3/58956 230.0 10.743 10.743 6.953 0.000 -0.000 0.000 3/58956 240.0 10.251 10.251 6.648 0.000 -0.000 0.000 3/58956 250.0 9.804 9.804 6.369 0.000 -0.000 0.000 3/58956 260.0 9.396 9.396 6.113 0.000 -0.000 0.000 3/58956 270.0 9.021 9.021 5.877 0.000 -0.000 0.000 3/58956 280.0 8.675 8.675 5.659 0.000 -0.000 0.000 3/58956 290.0 8.356 8.356 5.458 0.000 -0.000 0.000 3/58956 300.0 8.060 8.060 5.270 0.000 -0.000 0.000 3/58956 310.0 7.784 7.784 5.095 0.000 -0.000 0.000 3/58956 320.0 7.528 7.528 4.932 0.000 -0.000 0.000 3/58956 330.0 7.288 7.288 4.779 0.000 -0.000 0.000 3/58956 340.0 7.063 7.063 4.635 0.000 -0.000 0.000 3/58956 350.0 6.852 6.852 4.500 0.000 -0.000 0.000 3/58956 360.0 6.654 6.654 4.373 0.000 -0.000 0.000 3/58956 370.0 6.466 6.466 4.252 0.000 -0.000 0.000 3/58956 380.0 6.290 6.290 4.139 0.000 -0.000 0.000 3/58956 390.0 6.123 6.123 4.031 0.000 -0.000 0.000 3/58956 400.0 5.964 5.964 3.929 0.000 -0.000 0.000 3/58956 410.0 5.814 5.814 3.832 0.000 -0.000 0.000 3/58956 420.0 5.671 5.671 3.739 0.000 -0.000 0.000 3/58956 430.0 5.536 5.536 3.651 0.000 -0.000 0.000 3/58956 440.0 5.406 5.406 3.568 0.000 -0.000 0.000 3/58956 450.0 5.283 5.283 3.487 0.000 -0.000 0.000 3/58956 460.0 5.165 5.165 3.411 0.000 -0.000 0.000 3/58956 470.0 5.053 5.053 3.338 0.000 -0.000 0.000 3/58956 480.0 4.945 4.945 3.268 0.000 -0.000 0.000 3/58956 490.0 4.842 4.842 3.201 0.000 -0.000 0.000 3/58956 500.0 4.743 4.743 3.136 0.000 -0.000 0.000 3/58956 510.0 4.649 4.649 3.074 0.000 -0.000 0.000 3/58956 520.0 4.557 4.557 3.015 0.000 -0.000 0.000 3/58956 530.0 4.470 4.470 2.958 0.000 -0.000 0.000 3/58956 540.0 4.386 4.386 2.903 0.000 -0.000 0.000 3/58956 550.0 4.305 4.305 2.850 0.000 -0.000 0.000 3/58956 560.0 4.227 4.227 2.798 0.000 -0.000 0.000 3/58956 570.0 4.151 4.151 2.749 0.000 -0.000 0.000 3/58956 580.0 4.079 4.079 2.702 0.000 -0.000 0.000 3/58956 590.0 4.009 4.009 2.656 0.000 -0.000 0.000 3/58956 600.0 3.941 3.941 2.611 0.000 -0.000 0.000 3/58956 610.0 3.875 3.875 2.568 0.000 -0.000 0.000 3/58956 620.0 3.812 3.812 2.527 0.000 -0.000 0.000 3/58956 630.0 3.751 3.751 2.487 0.000 -0.000 0.000 3/58956 640.0 3.692 3.692 2.448 0.000 -0.000 0.000 3/58956 650.0 3.634 3.634 2.410 0.000 -0.000 0.000 3/58956 660.0 3.579 3.579 2.373 0.000 -0.000 0.000 3/58956 670.0 3.525 3.525 2.338 0.000 -0.000 0.000 3/58956 680.0 3.472 3.472 2.303 0.000 -0.000 0.000 3/58956 690.0 3.422 3.422 2.270 0.000 -0.000 0.000 3/58956 700.0 3.372 3.372 2.238 0.000 -0.000 0.000 3/58956 710.0 3.324 3.324 2.206 0.000 -0.000 0.000 3/58956 720.0 3.278 3.278 2.175 0.000 -0.000 0.000 3/58956 730.0 3.233 3.233 2.146 0.000 -0.000 0.000 3/58956 740.0 3.189 3.189 2.117 0.000 -0.000 0.000 3/58956 750.0 3.146 3.146 2.088 0.000 -0.000 0.000 3/58956 760.0 3.104 3.104 2.061 0.000 -0.000 0.000 3/58956 770.0 3.063 3.063 2.034 0.000 -0.000 0.000 3/58956 780.0 3.024 3.024 2.008 0.000 -0.000 0.000 3/58956 790.0 2.985 2.985 1.983 0.000 -0.000 0.000 3/58956 800.0 2.948 2.948 1.958 0.000 -0.000 0.000 3/58956 810.0 2.911 2.911 1.934 0.000 -0.000 0.000 3/58956 820.0 2.875 2.875 1.910 0.000 -0.000 0.000 3/58956 830.0 2.841 2.841 1.887 0.000 -0.000 0.000 3/58956 840.0 2.807 2.807 1.865 0.000 -0.000 0.000 3/58956 850.0 2.773 2.773 1.843 0.000 -0.000 0.000 3/58956 860.0 2.741 2.741 1.821 0.000 -0.000 0.000 3/58956 870.0 2.709 2.709 1.800 0.000 -0.000 0.000 3/58956 880.0 2.678 2.678 1.780 0.000 -0.000 0.000 3/58956 890.0 2.648 2.648 1.760 0.000 -0.000 0.000 3/58956 900.0 2.619 2.619 1.740 0.000 -0.000 0.000 3/58956 910.0 2.590 2.590 1.721 0.000 -0.000 0.000 3/58956 920.0 2.561 2.561 1.702 0.000 -0.000 0.000 3/58956 930.0 2.534 2.534 1.684 0.000 -0.000 0.000 3/58956 940.0 2.507 2.507 1.666 0.000 -0.000 0.000 3/58956 950.0 2.480 2.480 1.649 0.000 -0.000 0.000 3/58956 960.0 2.454 2.454 1.632 0.000 -0.000 0.000 3/58956 970.0 2.429 2.429 1.615 0.000 -0.000 0.000 3/58956 980.0 2.404 2.404 1.598 0.000 -0.000 0.000 3/58956 990.0 2.380 2.380 1.582 0.000 -0.000 0.000 3/58956 1000.0 2.356 2.356 1.566 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 00:41:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|